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 1c30_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVILVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPXXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.280 176.300 -0.033 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 2 P HA 0.296 nan 4.420 nan 0.000 0.338 2 P C -1.483 175.540 177.300 -0.462 0.000 1.308 2 P CA -0.501 62.462 63.100 -0.229 0.000 0.753 2 P CB 0.162 31.799 31.700 -0.106 0.000 1.579 3 K N 0.177 120.153 120.400 -0.706 0.000 2.380 3 K HA 0.088 4.409 4.320 0.002 0.000 0.267 3 K C 0.041 176.551 176.600 -0.150 0.000 0.990 3 K CA -0.045 55.940 56.287 -0.504 0.000 0.946 3 K CB 0.410 32.730 32.500 -0.299 0.000 0.937 3 K HN 0.200 nan 8.250 nan 0.000 0.491 4 R N 0.819 121.308 120.500 -0.019 0.000 2.491 4 R HA 0.023 4.364 4.340 0.002 0.000 0.283 4 R C 0.551 176.918 176.300 0.111 0.000 1.072 4 R CA 0.454 56.584 56.100 0.049 0.000 1.048 4 R CB 0.671 31.005 30.300 0.057 0.000 0.983 4 R HN 0.940 nan 8.270 nan 0.000 0.450 5 T N -3.090 111.493 114.554 0.049 0.000 2.975 5 T HA -0.030 4.321 4.350 0.002 0.000 0.257 5 T C 0.699 175.422 174.700 0.039 0.000 1.003 5 T CA -0.230 61.885 62.100 0.026 0.000 0.932 5 T CB 0.215 69.079 68.868 -0.006 0.000 1.087 5 T HN 0.650 nan 8.240 nan 0.000 0.512 6 D N 1.215 121.645 120.400 0.049 0.000 2.325 6 D HA 0.196 4.837 4.640 0.002 0.000 0.234 6 D C 0.153 176.492 176.300 0.064 0.000 1.122 6 D CA -0.305 53.721 54.000 0.043 0.000 0.850 6 D CB -0.058 40.759 40.800 0.029 0.000 0.921 6 D HN 0.425 nan 8.370 nan 0.000 0.513 7 I N -0.363 120.272 120.570 0.108 0.000 2.607 7 I HA 0.221 4.392 4.170 0.002 0.000 0.290 7 I C 0.522 176.779 176.117 0.233 0.000 1.129 7 I CA -0.549 60.843 61.300 0.154 0.000 1.042 7 I CB 2.611 40.706 38.000 0.158 0.000 1.242 7 I HN -0.350 nan 8.210 nan 0.000 0.421 8 K N 1.795 122.309 120.400 0.190 0.000 2.424 8 K HA 0.223 4.544 4.320 0.002 0.000 0.200 8 K C 0.188 176.929 176.600 0.234 0.000 1.279 8 K CA 0.202 56.592 56.287 0.171 0.000 0.918 8 K CB 0.753 33.293 32.500 0.067 0.000 1.287 8 K HN 0.636 nan 8.250 nan 0.000 0.502 9 S N 0.466 116.264 115.700 0.163 0.000 2.509 9 S HA 0.688 5.159 4.470 0.002 0.000 0.297 9 S C -0.375 174.283 174.600 0.097 0.000 1.118 9 S CA -0.799 57.477 58.200 0.128 0.000 1.074 9 S CB 1.253 64.501 63.200 0.080 0.000 1.038 9 S HN 0.091 nan 8.310 nan 0.000 0.498 10 I N 2.268 122.881 120.570 0.072 0.000 2.569 10 I HA 0.373 4.544 4.170 0.002 0.000 0.290 10 I C -1.245 174.882 176.117 0.016 0.000 1.088 10 I CA -0.807 60.504 61.300 0.020 0.000 1.047 10 I CB 2.101 40.079 38.000 -0.037 0.000 1.237 10 I HN 0.629 nan 8.210 nan 0.000 0.421 11 L N 7.719 128.943 121.223 0.002 0.000 2.275 11 L HA 0.609 4.950 4.340 0.002 0.000 0.288 11 L C -0.910 175.956 176.870 -0.006 0.000 1.046 11 L CA 0.156 54.995 54.840 -0.003 0.000 0.805 11 L CB 0.783 42.828 42.059 -0.023 0.000 1.193 11 L HN 0.414 nan 8.230 nan 0.000 0.426 12 I N 6.229 126.801 120.570 0.004 0.000 2.362 12 I HA 0.280 4.451 4.170 0.002 0.000 0.289 12 I C -0.647 175.471 176.117 0.002 0.000 0.994 12 I CA -0.614 60.687 61.300 0.002 0.000 1.158 12 I CB 1.516 39.522 38.000 0.010 0.000 1.315 12 I HN 0.481 nan 8.210 nan 0.000 0.451 13 L N 6.364 127.581 121.223 -0.009 0.000 2.283 13 L HA 0.390 4.731 4.340 0.002 0.000 0.287 13 L C 0.976 177.835 176.870 -0.018 0.000 1.073 13 L CA -0.303 54.528 54.840 -0.016 0.000 0.822 13 L CB 0.575 42.617 42.059 -0.027 0.000 1.186 13 L HN 0.664 nan 8.230 nan 0.000 0.436 14 G N 1.723 110.521 108.800 -0.003 0.000 2.599 14 G HA2 0.368 4.329 3.960 0.002 0.000 0.264 14 G HA3 0.368 4.329 3.960 0.002 0.000 0.264 14 G C 0.792 175.675 174.900 -0.028 0.000 1.200 14 G CA 0.134 45.238 45.100 0.006 0.000 0.896 14 G HN 0.769 nan 8.290 nan 0.000 0.536 15 A N -0.800 122.009 122.820 -0.018 0.000 2.123 15 A HA 0.554 4.875 4.320 0.002 0.000 0.214 15 A C 1.566 179.131 177.584 -0.031 0.000 1.152 15 A CA 1.562 53.552 52.037 -0.078 0.000 0.728 15 A CB -0.808 18.104 19.000 -0.146 0.000 0.814 15 A HN 2.543 nan 8.150 nan 0.000 0.464 16 G N -0.964 107.838 108.800 0.004 0.000 2.610 16 G HA2 -0.038 3.924 3.960 0.002 0.000 0.304 16 G HA3 -0.038 3.924 3.960 0.002 0.000 0.304 16 G C -3.084 171.822 174.900 0.010 0.000 1.309 16 G CA -0.460 44.640 45.100 -0.001 0.000 0.906 16 G HN 0.328 nan 8.290 nan 0.000 0.521 17 P HA 0.376 nan 4.420 nan 0.000 0.269 17 P C 0.366 177.667 177.300 0.003 0.000 1.209 17 P CA -0.221 62.871 63.100 -0.014 0.000 0.776 17 P CB 0.425 32.102 31.700 -0.039 0.000 0.876 18 I N 2.548 123.120 120.570 0.004 0.000 2.618 18 I HA 0.069 4.240 4.170 0.002 0.000 0.284 18 I C 0.934 177.047 176.117 -0.007 0.000 1.146 18 I CA 0.082 61.392 61.300 0.016 0.000 1.425 18 I CB 0.052 38.056 38.000 0.007 0.000 1.383 18 I HN 0.208 nan 8.210 nan 0.000 0.562 19 V N 4.588 124.501 119.914 -0.002 0.000 3.130 19 V HA 0.548 4.669 4.120 0.002 0.000 0.310 19 V C -0.039 176.030 176.094 -0.041 0.000 1.158 19 V CA -1.221 61.059 62.300 -0.033 0.000 1.029 19 V CB 1.955 33.754 31.823 -0.040 0.000 1.057 19 V HN 0.452 nan 8.190 nan 0.000 0.436 20 I N 2.413 122.935 120.570 -0.079 0.000 2.741 20 I HA 0.390 4.561 4.170 0.002 0.000 0.288 20 I C 1.552 177.610 176.117 -0.098 0.000 1.192 20 I CA 2.141 63.380 61.300 -0.101 0.000 1.426 20 I CB 0.529 38.434 38.000 -0.158 0.000 1.367 20 I HN 1.273 nan 8.210 nan 0.000 0.563 21 G N 4.720 113.467 108.800 -0.087 0.000 2.241 21 G HA2 -0.296 3.665 3.960 0.002 0.000 0.244 21 G HA3 -0.296 3.665 3.960 0.002 0.000 0.244 21 G C 0.324 175.245 174.900 0.035 0.000 0.998 21 G CA 0.201 45.254 45.100 -0.078 0.000 0.621 21 G HN 0.610 nan 8.290 nan 0.000 0.519 22 Q N 0.093 119.939 119.800 0.077 0.000 3.412 22 Q HA 0.681 5.022 4.340 0.002 0.000 0.219 22 Q C 0.168 176.298 176.000 0.218 0.000 0.913 22 Q CA 0.427 56.378 55.803 0.247 0.000 0.722 22 Q CB 0.588 29.421 28.738 0.158 0.000 1.385 22 Q HN 0.888 nan 8.270 nan 0.000 0.461 23 A N 0.180 123.077 122.820 0.129 0.000 3.791 23 A HA 0.367 4.688 4.320 0.002 0.000 0.159 23 A C 1.137 178.728 177.584 0.012 0.000 1.359 23 A CA -0.130 51.936 52.037 0.048 0.000 0.899 23 A CB -0.357 18.633 19.000 -0.017 0.000 1.642 23 A HN 0.801 nan 8.150 nan 0.000 0.612 24 C N 1.190 120.475 119.300 -0.024 0.000 2.401 24 C HA -0.118 4.343 4.460 0.002 0.000 0.286 24 C C 2.512 177.470 174.990 -0.052 0.000 1.332 24 C CA 1.116 60.128 59.018 -0.010 0.000 1.795 24 C CB -1.547 26.192 27.740 -0.001 0.000 1.922 24 C HN 0.859 nan 8.230 nan 0.000 0.520 25 E N 1.583 121.646 120.200 -0.229 0.000 2.171 25 E HA -0.240 4.111 4.350 0.002 0.000 0.197 25 E C 1.485 177.895 176.600 -0.318 0.000 0.997 25 E CA 1.679 57.881 56.400 -0.331 0.000 0.810 25 E CB -0.760 28.605 29.700 -0.558 0.000 0.738 25 E HN 0.640 nan 8.360 nan 0.000 0.467 26 F N 1.668 121.681 119.950 0.105 0.000 2.367 26 F HA 0.043 4.571 4.527 0.002 0.000 0.298 26 F C 2.144 177.987 175.800 0.071 0.000 1.094 26 F CA 1.008 59.053 58.000 0.076 0.000 1.409 26 F CB -0.490 38.537 39.000 0.044 0.000 1.064 26 F HN 0.061 nan 8.300 nan 0.000 0.528 27 D N -0.936 119.582 120.400 0.197 0.000 2.194 27 D HA -0.223 4.418 4.640 0.002 0.000 0.204 27 D C 2.136 178.522 176.300 0.142 0.000 0.964 27 D CA 0.823 54.916 54.000 0.155 0.000 0.846 27 D CB -0.289 40.592 40.800 0.136 0.000 0.962 27 D HN 0.275 nan 8.370 nan 0.000 0.490 28 Y N 0.930 121.241 120.300 0.019 0.000 2.181 28 Y HA -0.164 4.387 4.550 0.002 0.000 0.288 28 Y C 2.370 178.281 175.900 0.018 0.000 1.146 28 Y CA 2.190 60.289 58.100 -0.001 0.000 1.164 28 Y CB -0.729 37.712 38.460 -0.032 0.000 0.982 28 Y HN 0.089 nan 8.280 nan 0.000 0.515 29 S N -0.490 115.134 115.700 -0.127 0.000 2.345 29 S HA -0.041 4.430 4.470 0.002 0.000 0.219 29 S C 2.401 176.957 174.600 -0.074 0.000 1.031 29 S CA 0.899 59.005 58.200 -0.157 0.000 0.984 29 S CB -1.547 61.705 63.200 0.087 0.000 0.874 29 S HN 0.537 nan 8.310 nan 0.000 0.451 30 G N 1.805 110.627 108.800 0.036 0.000 2.476 30 G HA2 -0.070 3.891 3.960 0.002 0.000 0.218 30 G HA3 -0.070 3.891 3.960 0.002 0.000 0.218 30 G C 1.720 176.618 174.900 -0.003 0.000 1.164 30 G CA 1.211 46.334 45.100 0.038 0.000 0.768 30 G HN 0.854 nan 8.290 nan 0.000 0.560 31 A N 0.058 122.866 122.820 -0.019 0.000 1.930 31 A HA -0.048 4.273 4.320 0.002 0.000 0.217 31 A C 2.348 179.882 177.584 -0.083 0.000 1.175 31 A CA 1.857 53.876 52.037 -0.030 0.000 0.627 31 A CB -0.384 18.609 19.000 -0.012 0.000 0.815 31 A HN 0.467 nan 8.150 nan 0.000 0.443 32 Q N -0.592 119.100 119.800 -0.179 0.000 2.050 32 Q HA -0.166 4.175 4.340 0.002 0.000 0.202 32 Q C 2.510 178.450 176.000 -0.099 0.000 0.980 32 Q CA 1.474 57.158 55.803 -0.197 0.000 0.840 32 Q CB -0.415 28.114 28.738 -0.348 0.000 0.898 32 Q HN 0.680 nan 8.270 nan 0.000 0.424 33 A N 0.647 123.423 122.820 -0.073 0.000 1.883 33 A HA -0.226 4.095 4.320 0.002 0.000 0.217 33 A C 2.436 180.013 177.584 -0.012 0.000 1.186 33 A CA 1.559 53.577 52.037 -0.032 0.000 0.624 33 A CB -1.136 17.853 19.000 -0.018 0.000 0.822 33 A HN 0.510 nan 8.150 nan 0.000 0.444 34 C N -0.837 118.460 119.300 -0.007 0.000 2.413 34 C HA -0.116 4.345 4.460 0.002 0.000 0.276 34 C C 2.739 177.740 174.990 0.017 0.000 1.236 34 C CA 1.527 60.553 59.018 0.013 0.000 1.735 34 C CB -1.074 26.677 27.740 0.018 0.000 2.031 34 C HN 0.766 nan 8.230 nan 0.000 0.474 35 K N 1.048 121.448 120.400 -0.001 0.000 2.026 35 K HA -0.121 4.200 4.320 0.002 0.000 0.208 35 K C 2.134 178.743 176.600 0.015 0.000 1.048 35 K CA 1.675 57.963 56.287 0.002 0.000 0.929 35 K CB -0.354 32.132 32.500 -0.023 0.000 0.713 35 K HN 0.382 nan 8.250 nan 0.000 0.439 36 A N 1.081 123.903 122.820 0.004 0.000 1.902 36 A HA -0.117 4.204 4.320 0.002 0.000 0.217 36 A C 2.122 179.746 177.584 0.066 0.000 1.181 36 A CA 1.438 53.485 52.037 0.016 0.000 0.623 36 A CB -0.632 18.366 19.000 -0.005 0.000 0.818 36 A HN 0.347 nan 8.150 nan 0.000 0.443 37 L N -1.681 119.582 121.223 0.066 0.000 2.217 37 L HA -0.065 4.276 4.340 0.002 0.000 0.211 37 L C 2.711 179.703 176.870 0.203 0.000 1.107 37 L CA 1.215 56.129 54.840 0.124 0.000 0.783 37 L CB -0.346 41.732 42.059 0.032 0.000 0.919 37 L HN 0.343 nan 8.230 nan 0.000 0.442 38 R N 0.898 121.470 120.500 0.120 0.000 2.075 38 R HA -0.147 4.194 4.340 0.002 0.000 0.232 38 R C 2.034 178.393 176.300 0.098 0.000 1.126 38 R CA 1.363 57.527 56.100 0.106 0.000 0.963 38 R CB -0.121 30.218 30.300 0.064 0.000 0.858 38 R HN 0.349 nan 8.270 nan 0.000 0.435 39 E N 0.039 120.289 120.200 0.084 0.000 2.338 39 E HA -0.144 4.207 4.350 0.002 0.000 0.197 39 E C 1.142 177.799 176.600 0.094 0.000 1.007 39 E CA 0.745 57.185 56.400 0.067 0.000 0.849 39 E CB 0.086 29.812 29.700 0.043 0.000 0.774 39 E HN 0.361 nan 8.360 nan 0.000 0.506 40 E N -0.348 119.955 120.200 0.172 0.000 2.478 40 E HA 0.022 4.373 4.350 0.002 0.000 0.194 40 E C 1.103 177.745 176.600 0.070 0.000 1.045 40 E CA 0.586 57.126 56.400 0.233 0.000 0.868 40 E CB 0.863 30.858 29.700 0.492 0.000 0.885 40 E HN 0.357 nan 8.360 nan 0.000 0.505 41 G N 1.089 109.916 108.800 0.045 0.000 2.130 41 G HA2 -0.262 3.699 3.960 0.002 0.000 0.216 41 G HA3 -0.262 3.699 3.960 0.002 0.000 0.216 41 G C -0.268 174.522 174.900 -0.182 0.000 0.999 41 G CA -0.119 44.929 45.100 -0.086 0.000 0.686 41 G HN 0.185 nan 8.290 nan 0.000 0.515 42 Y N -0.521 119.803 120.300 0.040 0.000 2.403 42 Y HA 0.649 5.200 4.550 0.002 0.000 0.323 42 Y C 1.043 176.960 175.900 0.029 0.000 1.226 42 Y CA -0.844 57.277 58.100 0.035 0.000 1.235 42 Y CB 0.865 39.348 38.460 0.039 0.000 1.248 42 Y HN 0.182 nan 8.280 nan 0.000 0.489 43 R N 1.346 121.958 120.500 0.185 0.000 2.234 43 R HA 0.515 4.856 4.340 0.002 0.000 0.324 43 R C -1.776 174.597 176.300 0.122 0.000 1.054 43 R CA -0.331 55.838 56.100 0.115 0.000 0.912 43 R CB 0.357 30.707 30.300 0.083 0.000 1.030 43 R HN 0.536 nan 8.270 nan 0.000 0.455 44 V N 6.718 126.688 119.914 0.094 0.000 2.398 44 V HA 0.351 4.472 4.120 0.002 0.000 0.286 44 V C -0.293 175.842 176.094 0.069 0.000 1.026 44 V CA -0.814 61.532 62.300 0.077 0.000 0.868 44 V CB 1.340 33.205 31.823 0.070 0.000 0.982 44 V HN 0.605 nan 8.190 nan 0.000 0.443 45 I N 6.476 127.087 120.570 0.069 0.000 2.441 45 I HA 0.714 4.885 4.170 0.002 0.000 0.295 45 I C -0.304 175.862 176.117 0.081 0.000 0.994 45 I CA -0.944 60.412 61.300 0.092 0.000 1.144 45 I CB 1.514 39.562 38.000 0.080 0.000 1.314 45 I HN 0.637 nan 8.210 nan 0.000 0.445 46 L N 5.081 126.375 121.223 0.117 0.000 2.465 46 L HA 0.940 5.281 4.340 0.002 0.000 0.257 46 L C -1.421 175.522 176.870 0.121 0.000 0.988 46 L CA -0.860 54.030 54.840 0.084 0.000 0.827 46 L CB 2.187 44.282 42.059 0.060 0.000 1.397 46 L HN 0.278 nan 8.230 nan 0.000 0.410 47 V N 2.302 122.259 119.914 0.071 0.000 2.588 47 V HA 0.742 4.863 4.120 0.002 0.000 0.304 47 V C -1.489 174.634 176.094 0.048 0.000 1.042 47 V CA 0.003 62.349 62.300 0.076 0.000 0.877 47 V CB 1.749 33.584 31.823 0.020 0.000 0.996 47 V HN 0.967 nan 8.190 nan 0.000 0.425 48 N N 2.974 121.705 118.700 0.051 0.000 2.578 48 N HA 0.212 4.953 4.740 0.002 0.000 0.282 48 N C 0.448 175.973 175.510 0.026 0.000 1.119 48 N CA 0.280 53.350 53.050 0.034 0.000 0.948 48 N CB 2.335 40.847 38.487 0.042 0.000 1.546 48 N HN 0.645 nan 8.380 nan 0.000 0.525 49 S N 1.520 117.226 115.700 0.011 0.000 2.515 49 S HA -0.028 4.443 4.470 0.002 0.000 0.231 49 S C 0.706 175.303 174.600 -0.005 0.000 0.987 49 S CA 0.154 58.353 58.200 -0.002 0.000 0.936 49 S CB -0.227 62.962 63.200 -0.018 0.000 0.766 49 S HN 0.560 nan 8.310 nan 0.000 0.528 50 N N 3.150 121.851 118.700 0.002 0.000 2.420 50 N HA 0.280 5.021 4.740 0.002 0.000 0.249 50 N C -1.712 173.794 175.510 -0.006 0.000 1.033 50 N CA -2.446 50.599 53.050 -0.008 0.000 0.944 50 N CB 1.392 39.879 38.487 0.001 0.000 1.113 50 N HN 0.010 nan 8.380 nan 0.000 0.502 51 P HA -0.000 nan 4.420 nan 0.000 0.225 51 P C 0.166 177.378 177.300 -0.147 0.000 1.156 51 P CA 0.535 63.621 63.100 -0.022 0.000 0.787 51 P CB 0.181 31.920 31.700 0.065 0.000 0.802 52 A N 0.317 123.028 122.820 -0.182 0.000 2.503 52 A HA 0.280 4.601 4.320 0.002 0.000 0.263 52 A C 0.579 178.093 177.584 -0.117 0.000 1.360 52 A CA 0.091 51.924 52.037 -0.341 0.000 0.969 52 A CB -1.312 17.535 19.000 -0.256 0.000 1.000 52 A HN 0.292 nan 8.150 nan 0.000 0.530 53 T N -3.284 111.287 114.554 0.027 0.000 2.856 53 T HA 0.536 4.887 4.350 0.002 0.000 0.283 53 T C 0.937 175.841 174.700 0.340 0.000 1.008 53 T CA -0.716 61.500 62.100 0.194 0.000 0.997 53 T CB 1.070 70.007 68.868 0.114 0.000 0.992 53 T HN -0.032 nan 8.240 nan 0.000 0.454 54 I N 2.125 122.855 120.570 0.268 0.000 2.394 54 I HA -0.143 4.028 4.170 0.002 0.000 0.251 54 I C 2.565 178.770 176.117 0.147 0.000 1.136 54 I CA 1.642 63.041 61.300 0.166 0.000 1.425 54 I CB -0.924 37.108 38.000 0.053 0.000 1.079 54 I HN 0.865 nan 8.210 nan 0.000 0.425 55 M N 0.548 120.220 119.600 0.121 0.000 2.446 55 M HA -0.121 4.360 4.480 0.002 0.000 0.263 55 M C 1.529 177.881 176.300 0.088 0.000 1.066 55 M CA 1.990 57.343 55.300 0.088 0.000 1.087 55 M CB -0.906 31.736 32.600 0.071 0.000 1.406 55 M HN 0.234 nan 8.290 nan 0.000 0.459 56 T N -3.004 111.619 114.554 0.115 0.000 3.086 56 T HA 0.175 4.526 4.350 0.002 0.000 0.250 56 T C -0.042 174.722 174.700 0.108 0.000 1.074 56 T CA -0.492 61.661 62.100 0.088 0.000 0.988 56 T CB -0.383 68.526 68.868 0.068 0.000 0.988 56 T HN 0.258 nan 8.240 nan 0.000 0.530 57 D N 3.843 124.335 120.400 0.154 0.000 2.383 57 D HA 0.167 4.808 4.640 0.002 0.000 0.252 57 D C -1.247 175.106 176.300 0.089 0.000 1.166 57 D CA -2.102 51.999 54.000 0.168 0.000 0.879 57 D CB 1.703 42.620 40.800 0.195 0.000 1.164 57 D HN 0.095 nan 8.370 nan 0.000 0.462 58 P HA -0.222 nan 4.420 nan 0.000 0.218 58 P C 0.955 178.272 177.300 0.029 0.000 1.154 58 P CA 1.357 64.472 63.100 0.024 0.000 0.872 58 P CB 0.130 31.863 31.700 0.055 0.000 0.790 59 E N -1.207 119.019 120.200 0.043 0.000 2.511 59 E HA -0.037 4.314 4.350 0.002 0.000 0.196 59 E C 1.222 177.836 176.600 0.024 0.000 1.066 59 E CA 0.472 56.888 56.400 0.027 0.000 0.871 59 E CB -0.417 29.292 29.700 0.015 0.000 0.863 59 E HN 0.201 nan 8.360 nan 0.000 0.520 60 M N 0.440 120.059 119.600 0.032 0.000 2.461 60 M HA 0.357 4.838 4.480 0.002 0.000 0.255 60 M C 0.817 177.135 176.300 0.031 0.000 1.137 60 M CA 0.163 55.482 55.300 0.031 0.000 1.086 60 M CB 0.595 33.221 32.600 0.042 0.000 1.356 60 M HN 0.182 nan 8.290 nan 0.000 0.487 61 A N -0.409 122.428 122.820 0.028 0.000 2.583 61 A HA 0.529 4.850 4.320 0.002 0.000 0.289 61 A C -0.140 177.456 177.584 0.020 0.000 1.151 61 A CA -0.575 51.480 52.037 0.030 0.000 0.695 61 A CB 0.778 19.798 19.000 0.034 0.000 1.290 61 A HN 0.160 nan 8.150 nan 0.000 0.419 62 D N -0.017 120.401 120.400 0.029 0.000 2.216 62 D HA 0.274 4.915 4.640 0.002 0.000 0.208 62 D C 0.647 176.950 176.300 0.005 0.000 0.960 62 D CA 1.738 55.752 54.000 0.022 0.000 0.861 62 D CB 0.351 41.173 40.800 0.038 0.000 0.985 62 D HN 0.728 nan 8.370 nan 0.000 0.493 63 A N 0.900 123.731 122.820 0.019 0.000 2.499 63 A HA 0.461 4.782 4.320 0.002 0.000 0.280 63 A C -0.644 176.939 177.584 -0.002 0.000 1.135 63 A CA -0.556 51.479 52.037 -0.003 0.000 0.744 63 A CB 1.125 20.216 19.000 0.152 0.000 1.213 63 A HN -0.150 nan 8.150 nan 0.000 0.434 64 T N 2.611 117.060 114.554 -0.176 0.000 2.749 64 T HA 0.502 4.853 4.350 0.002 0.000 0.287 64 T C -1.045 173.485 174.700 -0.284 0.000 0.970 64 T CA 0.319 62.342 62.100 -0.128 0.000 0.980 64 T CB -0.007 68.797 68.868 -0.107 0.000 0.924 64 T HN 0.406 nan 8.240 nan 0.000 0.456 65 Y N 2.587 122.855 120.300 -0.052 0.000 2.345 65 Y HA 0.451 5.002 4.550 0.002 0.000 0.331 65 Y C 0.449 176.317 175.900 -0.053 0.000 0.959 65 Y CA -0.996 57.066 58.100 -0.063 0.000 1.204 65 Y CB 0.793 39.216 38.460 -0.062 0.000 1.135 65 Y HN 0.558 nan 8.280 nan 0.000 0.477 66 I N 5.104 125.692 120.570 0.030 0.000 2.257 66 I HA 0.207 4.378 4.170 0.002 0.000 0.290 66 I C -0.369 175.764 176.117 0.027 0.000 1.137 66 I CA 0.031 61.342 61.300 0.018 0.000 1.255 66 I CB -0.166 37.827 38.000 -0.012 0.000 1.485 66 I HN 0.547 nan 8.210 nan 0.000 0.534 67 E N 5.410 125.638 120.200 0.047 0.000 2.416 67 E HA 0.467 4.818 4.350 0.002 0.000 0.273 67 E C -2.613 173.984 176.600 -0.004 0.000 0.935 67 E CA -2.196 54.215 56.400 0.019 0.000 0.784 67 E CB 1.674 31.393 29.700 0.031 0.000 1.301 67 E HN 0.012 nan 8.360 nan 0.000 0.454 68 P HA 0.070 nan 4.420 nan 0.000 0.262 68 P C -0.009 177.291 177.300 0.000 0.000 1.182 68 P CA 0.419 63.502 63.100 -0.029 0.000 0.761 68 P CB 0.163 31.828 31.700 -0.058 0.000 0.795 69 I N 3.597 124.173 120.570 0.010 0.000 2.213 69 I HA 0.113 4.284 4.170 0.002 0.000 0.295 69 I C 0.952 177.097 176.117 0.047 0.000 1.172 69 I CA 0.081 61.391 61.300 0.016 0.000 1.443 69 I CB -0.786 37.213 38.000 -0.001 0.000 1.491 69 I HN 0.388 nan 8.210 nan 0.000 0.652 70 H N 5.735 124.773 119.070 -0.053 0.000 2.495 70 H HA 0.075 4.632 4.556 0.002 0.000 0.348 70 H C 0.549 175.832 175.328 -0.075 0.000 1.113 70 H CA -0.811 55.198 56.048 -0.065 0.000 1.195 70 H CB 1.653 31.319 29.762 -0.159 0.000 1.521 70 H HN 0.616 nan 8.280 nan 0.000 0.509 71 W N 4.866 125.971 121.300 -0.325 0.000 2.325 71 W HA -0.136 4.525 4.660 0.002 0.000 0.299 71 W C 0.616 177.160 176.519 0.042 0.000 1.215 71 W CA 0.943 58.208 57.345 -0.132 0.000 1.244 71 W CB -0.462 28.894 29.460 -0.174 0.000 1.140 71 W HN 0.641 nan 8.180 nan 0.000 0.523 72 E N 0.840 120.530 120.200 -0.850 0.000 2.110 72 E HA -0.166 4.185 4.350 0.002 0.000 0.193 72 E C 2.394 178.813 176.600 -0.302 0.000 0.988 72 E CA 1.866 57.790 56.400 -0.793 0.000 0.804 72 E CB -0.153 29.095 29.700 -0.753 0.000 0.745 72 E HN 0.147 nan 8.360 nan 0.000 0.458 73 V N 0.579 120.402 119.914 -0.152 0.000 2.379 73 V HA -0.183 3.938 4.120 0.002 0.000 0.245 73 V C 2.289 178.300 176.094 -0.138 0.000 1.044 73 V CA 1.079 63.295 62.300 -0.139 0.000 1.036 73 V CB -0.137 31.627 31.823 -0.098 0.000 0.664 73 V HN 0.122 nan 8.190 nan 0.000 0.453 74 V N 0.522 120.384 119.914 -0.087 0.000 2.490 74 V HA -0.274 3.847 4.120 0.002 0.000 0.250 74 V C 2.536 178.551 176.094 -0.132 0.000 1.061 74 V CA 2.319 64.558 62.300 -0.102 0.000 1.064 74 V CB -0.936 30.870 31.823 -0.028 0.000 0.670 74 V HN 0.549 nan 8.190 nan 0.000 0.461 75 R N 0.290 120.747 120.500 -0.072 0.000 2.096 75 R HA -0.169 4.172 4.340 0.002 0.000 0.235 75 R C 2.322 178.481 176.300 -0.236 0.000 1.127 75 R CA 1.313 57.366 56.100 -0.078 0.000 0.968 75 R CB -0.124 30.225 30.300 0.081 0.000 0.861 75 R HN 0.287 nan 8.270 nan 0.000 0.440 76 K N 0.587 120.866 120.400 -0.201 0.000 2.148 76 K HA -0.082 4.239 4.320 0.002 0.000 0.204 76 K C 2.015 178.436 176.600 -0.298 0.000 1.050 76 K CA 1.157 57.316 56.287 -0.213 0.000 0.942 76 K CB -0.157 32.244 32.500 -0.165 0.000 0.724 76 K HN 0.351 nan 8.250 nan 0.000 0.446 77 I N 0.373 120.720 120.570 -0.372 0.000 2.286 77 I HA -0.208 3.963 4.170 0.002 0.000 0.245 77 I C 2.218 178.085 176.117 -0.417 0.000 1.104 77 I CA 0.736 61.714 61.300 -0.538 0.000 1.397 77 I CB -0.146 37.438 38.000 -0.693 0.000 1.072 77 I HN 0.007 nan 8.210 nan 0.000 0.417 78 I N 0.882 121.213 120.570 -0.398 0.000 2.113 78 I HA -0.327 3.844 4.170 0.002 0.000 0.238 78 I C 2.683 178.416 176.117 -0.639 0.000 1.070 78 I CA 1.803 62.838 61.300 -0.442 0.000 1.332 78 I CB -0.426 37.301 38.000 -0.455 0.000 1.044 78 I HN 0.294 nan 8.210 nan 0.000 0.402 79 E N 1.635 121.243 120.200 -0.987 0.000 2.171 79 E HA -0.333 4.018 4.350 0.002 0.000 0.197 79 E C 2.127 178.530 176.600 -0.329 0.000 0.997 79 E CA 1.772 57.564 56.400 -1.012 0.000 0.810 79 E CB -0.101 29.280 29.700 -0.531 0.000 0.738 79 E HN 0.421 nan 8.360 nan 0.000 0.467 80 K N -0.159 120.074 120.400 -0.279 0.000 2.137 80 K HA -0.059 4.262 4.320 0.002 0.000 0.202 80 K C 1.639 178.189 176.600 -0.084 0.000 1.052 80 K CA 1.171 57.376 56.287 -0.137 0.000 0.961 80 K CB 0.321 32.749 32.500 -0.119 0.000 0.741 80 K HN 0.057 nan 8.250 nan 0.000 0.452 81 E N 0.371 120.500 120.200 -0.118 0.000 2.473 81 E HA 0.061 4.412 4.350 0.002 0.000 0.204 81 E C -0.422 176.158 176.600 -0.032 0.000 0.994 81 E CA -0.068 56.308 56.400 -0.040 0.000 0.945 81 E CB 0.620 30.311 29.700 -0.015 0.000 0.990 81 E HN 0.116 nan 8.360 nan 0.000 0.493 82 R N 1.347 121.801 120.500 -0.077 0.000 2.939 82 R HA -0.123 4.218 4.340 0.002 0.000 0.255 82 R C -2.522 173.784 176.300 0.010 0.000 0.882 82 R CA 0.269 56.359 56.100 -0.017 0.000 0.658 82 R CB -2.188 28.142 30.300 0.051 0.000 1.447 82 R HN 0.229 nan 8.270 nan 0.000 0.506 83 P HA 0.199 nan 4.420 nan 0.000 0.282 83 P C 0.299 177.621 177.300 0.037 0.000 1.249 83 P CA -0.432 62.677 63.100 0.015 0.000 0.806 83 P CB 0.830 32.527 31.700 -0.005 0.000 0.984 84 D N 0.476 120.904 120.400 0.048 0.000 2.162 84 D HA 0.061 4.702 4.640 0.002 0.000 0.203 84 D C 0.775 177.099 176.300 0.040 0.000 0.967 84 D CA 1.226 55.257 54.000 0.052 0.000 0.840 84 D CB 0.300 41.138 40.800 0.063 0.000 0.972 84 D HN 0.455 nan 8.370 nan 0.000 0.482 85 A N -0.068 122.768 122.820 0.027 0.000 2.527 85 A HA 0.612 4.933 4.320 0.002 0.000 0.293 85 A C -1.359 176.224 177.584 -0.002 0.000 1.117 85 A CA -0.598 51.444 52.037 0.009 0.000 0.723 85 A CB 2.503 21.498 19.000 -0.007 0.000 1.313 85 A HN -0.054 nan 8.150 nan 0.000 0.411 86 V N 1.226 121.136 119.914 -0.006 0.000 2.686 86 V HA 0.659 4.780 4.120 0.002 0.000 0.306 86 V C -1.776 174.309 176.094 -0.015 0.000 1.065 86 V CA -0.601 61.693 62.300 -0.011 0.000 0.894 86 V CB 1.494 33.313 31.823 -0.006 0.000 1.004 86 V HN 1.062 nan 8.190 nan 0.000 0.424 87 L N 10.194 131.405 121.223 -0.019 0.000 2.283 87 L HA 0.748 5.089 4.340 0.002 0.000 0.281 87 L C -2.105 174.757 176.870 -0.013 0.000 1.033 87 L CA -1.228 53.601 54.840 -0.018 0.000 0.848 87 L CB 1.863 43.907 42.059 -0.025 0.000 1.226 87 L HN 0.543 nan 8.230 nan 0.000 0.429 88 P HA 0.140 nan 4.420 nan 0.000 0.272 88 P C 0.400 177.687 177.300 -0.022 0.000 1.408 88 P CA 0.101 63.191 63.100 -0.017 0.000 0.996 88 P CB 0.308 32.003 31.700 -0.009 0.000 1.481 89 T N -4.472 110.076 114.554 -0.009 0.000 3.122 89 T HA 0.244 4.595 4.350 0.002 0.000 0.250 89 T C 1.118 175.828 174.700 0.016 0.000 1.067 89 T CA -0.023 62.077 62.100 -0.001 0.000 0.966 89 T CB -0.403 68.475 68.868 0.017 0.000 1.002 89 T HN -0.133 nan 8.240 nan 0.000 0.542 90 M N 0.979 120.584 119.600 0.008 0.000 2.405 90 M HA 0.401 4.882 4.480 0.002 0.000 0.292 90 M C 1.256 177.570 176.300 0.023 0.000 1.111 90 M CA 0.018 55.353 55.300 0.058 0.000 0.979 90 M CB 0.687 33.317 32.600 0.050 0.000 1.426 90 M HN 0.432 nan 8.290 nan 0.000 0.509 91 G N 0.058 108.769 108.800 -0.148 0.000 4.250 91 G HA2 0.489 4.450 3.960 0.002 0.000 0.295 91 G HA3 0.489 4.450 3.960 0.002 0.000 0.295 91 G C 0.731 175.215 174.900 -0.693 0.000 1.081 91 G CA 0.125 45.043 45.100 -0.304 0.000 0.854 91 G HN 0.573 nan 8.290 nan 0.000 0.524 92 G N 0.632 108.721 108.800 -1.185 0.000 2.601 92 G HA2 -0.330 3.631 3.960 0.002 0.000 0.252 92 G HA3 -0.330 3.631 3.960 0.002 0.000 0.252 92 G C 0.842 175.482 174.900 -0.433 0.000 1.294 92 G CA 0.619 45.011 45.100 -1.180 0.000 0.912 92 G HN 0.550 nan 8.290 nan 0.000 0.574 93 Q N -1.041 118.598 119.800 -0.268 0.000 2.172 93 Q HA 0.051 4.392 4.340 0.002 0.000 0.200 93 Q C 2.854 178.799 176.000 -0.092 0.000 0.964 93 Q CA 2.750 58.484 55.803 -0.115 0.000 0.855 93 Q CB -0.604 28.104 28.738 -0.051 0.000 0.918 93 Q HN 0.720 nan 8.270 nan 0.000 0.444 94 T N 0.132 114.608 114.554 -0.130 0.000 2.635 94 T HA -0.233 4.118 4.350 0.002 0.000 0.267 94 T C 1.688 176.339 174.700 -0.081 0.000 1.040 94 T CA 1.607 63.654 62.100 -0.090 0.000 1.156 94 T CB -0.630 68.179 68.868 -0.097 0.000 0.863 94 T HN 0.487 nan 8.240 nan 0.000 0.430 95 A N 1.016 123.764 122.820 -0.120 0.000 1.902 95 A HA 0.011 4.332 4.320 0.002 0.000 0.217 95 A C 2.356 179.911 177.584 -0.048 0.000 1.181 95 A CA 1.213 53.199 52.037 -0.084 0.000 0.623 95 A CB -0.846 18.092 19.000 -0.104 0.000 0.818 95 A HN 0.472 nan 8.150 nan 0.000 0.443 96 L N -0.395 120.802 121.223 -0.043 0.000 2.017 96 L HA -0.226 4.115 4.340 0.002 0.000 0.208 96 L C 2.371 179.270 176.870 0.048 0.000 1.073 96 L CA 1.524 56.374 54.840 0.016 0.000 0.745 96 L CB -0.789 41.293 42.059 0.038 0.000 0.894 96 L HN 0.369 nan 8.230 nan 0.000 0.432 97 N N -0.517 118.207 118.700 0.040 0.000 2.104 97 N HA -0.216 4.525 4.740 0.002 0.000 0.190 97 N C 1.864 177.348 175.510 -0.043 0.000 1.024 97 N CA 1.537 54.590 53.050 0.005 0.000 0.853 97 N CB -0.927 37.559 38.487 -0.002 0.000 1.008 97 N HN 0.355 nan 8.380 nan 0.000 0.424 98 C N 0.718 120.001 119.300 -0.030 0.000 2.446 98 C HA 0.134 4.595 4.460 0.002 0.000 0.277 98 C C 2.735 177.711 174.990 -0.023 0.000 1.275 98 C CA 0.919 59.925 59.018 -0.021 0.000 1.727 98 C CB -1.261 26.474 27.740 -0.008 0.000 2.010 98 C HN 0.479 nan 8.230 nan 0.000 0.486 99 A N 0.067 122.875 122.820 -0.020 0.000 1.883 99 A HA -0.093 4.228 4.320 0.002 0.000 0.217 99 A C 1.926 179.488 177.584 -0.037 0.000 1.186 99 A CA 1.728 53.755 52.037 -0.017 0.000 0.624 99 A CB -0.650 18.348 19.000 -0.005 0.000 0.822 99 A HN 0.529 nan 8.150 nan 0.000 0.444 100 L N -0.701 120.493 121.223 -0.048 0.000 2.217 100 L HA -0.049 4.292 4.340 0.002 0.000 0.211 100 L C 2.334 179.107 176.870 -0.161 0.000 1.107 100 L CA 1.900 56.686 54.840 -0.089 0.000 0.783 100 L CB -0.523 41.484 42.059 -0.088 0.000 0.919 100 L HN 0.469 nan 8.230 nan 0.000 0.442 101 E N -0.210 119.881 120.200 -0.181 0.000 2.072 101 E HA -0.127 4.224 4.350 0.002 0.000 0.190 101 E C 2.205 178.606 176.600 -0.332 0.000 0.982 101 E CA 1.094 57.315 56.400 -0.299 0.000 0.803 101 E CB -0.217 29.310 29.700 -0.289 0.000 0.755 101 E HN 0.366 nan 8.360 nan 0.000 0.453 102 L N 0.679 121.812 121.223 -0.150 0.000 2.079 102 L HA -0.171 4.170 4.340 0.002 0.000 0.210 102 L C 2.650 179.460 176.870 -0.100 0.000 1.081 102 L CA 1.441 56.241 54.840 -0.066 0.000 0.752 102 L CB -0.428 41.648 42.059 0.027 0.000 0.896 102 L HN 0.234 nan 8.230 nan 0.000 0.433 103 E N 0.331 120.470 120.200 -0.101 0.000 2.028 103 E HA -0.249 4.102 4.350 0.002 0.000 0.191 103 E C 2.315 178.834 176.600 -0.134 0.000 0.988 103 E CA 1.187 57.535 56.400 -0.087 0.000 0.799 103 E CB 0.003 29.665 29.700 -0.064 0.000 0.755 103 E HN 0.318 nan 8.360 nan 0.000 0.447 104 R N 0.282 120.666 120.500 -0.193 0.000 2.096 104 R HA -0.152 4.189 4.340 0.002 0.000 0.240 104 R C 2.196 178.339 176.300 -0.261 0.000 1.139 104 R CA 1.646 57.612 56.100 -0.223 0.000 0.952 104 R CB -0.013 30.123 30.300 -0.273 0.000 0.854 104 R HN 0.169 nan 8.270 nan 0.000 0.436 105 Q N -0.795 118.772 119.800 -0.389 0.000 2.541 105 Q HA -0.012 4.329 4.340 0.002 0.000 0.215 105 Q C 1.174 177.060 176.000 -0.191 0.000 0.977 105 Q CA 1.086 56.624 55.803 -0.440 0.000 0.934 105 Q CB 0.455 28.591 28.738 -1.002 0.000 0.988 105 Q HN 0.729 nan 8.270 nan 0.000 0.521 106 G N 0.069 108.796 108.800 -0.122 0.000 2.184 106 G HA2 -0.335 3.626 3.960 0.002 0.000 0.264 106 G HA3 -0.335 3.626 3.960 0.002 0.000 0.264 106 G C 1.036 175.943 174.900 0.012 0.000 0.975 106 G CA 0.490 45.559 45.100 -0.052 0.000 0.642 106 G HN 0.311 nan 8.290 nan 0.000 0.536 107 V N 0.917 120.860 119.914 0.049 0.000 2.392 107 V HA -0.194 3.927 4.120 0.002 0.000 0.249 107 V C 2.914 179.141 176.094 0.222 0.000 1.059 107 V CA 2.385 64.804 62.300 0.199 0.000 1.051 107 V CB -0.512 31.470 31.823 0.265 0.000 0.658 107 V HN 0.527 nan 8.190 nan 0.000 0.455 108 L N -0.270 121.019 121.223 0.111 0.000 2.093 108 L HA -0.162 4.179 4.340 0.002 0.000 0.208 108 L C 2.595 179.520 176.870 0.092 0.000 1.085 108 L CA 1.749 56.653 54.840 0.106 0.000 0.755 108 L CB -0.593 41.496 42.059 0.049 0.000 0.904 108 L HN 0.360 nan 8.230 nan 0.000 0.435 109 E N 0.857 121.080 120.200 0.039 0.000 2.031 109 E HA -0.279 4.072 4.350 0.002 0.000 0.193 109 E C 2.059 178.640 176.600 -0.031 0.000 0.994 109 E CA 1.528 57.928 56.400 0.000 0.000 0.800 109 E CB -0.087 29.599 29.700 -0.023 0.000 0.752 109 E HN 0.322 nan 8.360 nan 0.000 0.447 110 E N -1.105 119.058 120.200 -0.062 0.000 2.108 110 E HA -0.223 4.128 4.350 0.002 0.000 0.203 110 E C 0.907 177.237 176.600 -0.449 0.000 1.022 110 E CA 1.589 57.830 56.400 -0.265 0.000 0.823 110 E CB -0.160 29.363 29.700 -0.295 0.000 0.744 110 E HN 0.379 nan 8.360 nan 0.000 0.456 111 F N -1.030 118.925 119.950 0.009 0.000 2.639 111 F HA 0.319 4.847 4.527 0.002 0.000 0.302 111 F C 1.013 176.817 175.800 0.006 0.000 1.097 111 F CA 0.302 58.306 58.000 0.008 0.000 1.294 111 F CB 1.221 40.226 39.000 0.009 0.000 1.027 111 F HN 0.085 nan 8.300 nan 0.000 0.550 112 G N 1.528 110.399 108.800 0.119 0.000 2.314 112 G HA2 -0.239 3.722 3.960 0.002 0.000 0.292 112 G HA3 -0.239 3.722 3.960 0.002 0.000 0.292 112 G C -0.300 174.652 174.900 0.088 0.000 1.059 112 G CA 0.059 45.206 45.100 0.080 0.000 0.982 112 G HN 0.169 nan 8.290 nan 0.000 0.505 113 V N 0.990 120.962 119.914 0.097 0.000 2.364 113 V HA 0.442 4.563 4.120 0.002 0.000 0.272 113 V C 0.918 177.037 176.094 0.042 0.000 1.036 113 V CA -0.128 62.213 62.300 0.068 0.000 0.880 113 V CB 1.389 33.253 31.823 0.069 0.000 0.991 113 V HN 0.402 nan 8.190 nan 0.000 0.460 114 T N 6.743 121.316 114.554 0.031 0.000 2.761 114 T HA 0.320 4.671 4.350 0.002 0.000 0.296 114 T C 0.004 174.710 174.700 0.011 0.000 0.934 114 T CA -0.124 61.987 62.100 0.019 0.000 1.091 114 T CB 0.537 69.416 68.868 0.018 0.000 0.896 114 T HN 0.679 nan 8.240 nan 0.000 0.515 115 M N 6.229 125.834 119.600 0.008 0.000 2.146 115 M HA 0.430 4.911 4.480 0.002 0.000 0.352 115 M C -0.438 175.862 176.300 0.000 0.000 1.343 115 M CA -0.320 54.983 55.300 0.004 0.000 1.115 115 M CB -0.132 32.471 32.600 0.006 0.000 1.657 115 M HN 0.662 nan 8.290 nan 0.000 0.471 116 I N 1.556 122.121 120.570 -0.007 0.000 3.100 116 I HA 0.944 5.115 4.170 0.002 0.000 0.312 116 I C 0.823 176.937 176.117 -0.005 0.000 1.063 116 I CA -0.300 60.994 61.300 -0.011 0.000 1.031 116 I CB 1.389 39.371 38.000 -0.030 0.000 1.243 116 I HN 0.836 nan 8.210 nan 0.000 0.483 117 G N 1.789 110.589 108.800 -0.000 0.000 4.526 117 G HA2 -0.144 3.817 3.960 0.002 0.000 0.217 117 G HA3 -0.144 3.817 3.960 0.002 0.000 0.217 117 G C 0.136 175.046 174.900 0.017 0.000 1.428 117 G CA 0.393 45.499 45.100 0.010 0.000 0.928 117 G HN 1.642 nan 8.290 nan 0.000 0.639 118 A N -0.064 122.765 122.820 0.014 0.000 2.475 118 A HA 0.912 5.233 4.320 0.002 0.000 0.301 118 A C 0.144 177.738 177.584 0.016 0.000 1.059 118 A CA 0.963 53.011 52.037 0.017 0.000 0.710 118 A CB 1.366 20.377 19.000 0.018 0.000 1.288 118 A HN 1.952 nan 8.150 nan 0.000 0.408 119 T N -1.058 113.508 114.554 0.019 0.000 2.881 119 T HA 0.573 4.924 4.350 0.002 0.000 0.278 119 T C 1.354 176.069 174.700 0.025 0.000 0.982 119 T CA 0.161 62.273 62.100 0.019 0.000 0.989 119 T CB 1.324 70.203 68.868 0.018 0.000 1.058 119 T HN 1.566 nan 8.240 nan 0.000 0.529 120 A N 0.520 123.353 122.820 0.023 0.000 1.940 120 A HA -0.078 4.243 4.320 0.002 0.000 0.219 120 A C 1.994 179.606 177.584 0.047 0.000 1.176 120 A CA 2.141 54.197 52.037 0.032 0.000 0.631 120 A CB -1.324 17.685 19.000 0.014 0.000 0.814 120 A HN 1.019 nan 8.150 nan 0.000 0.446 121 D N -0.614 119.807 120.400 0.036 0.000 2.144 121 D HA 0.030 4.671 4.640 0.002 0.000 0.200 121 D C 2.043 178.371 176.300 0.047 0.000 0.978 121 D CA 1.368 55.393 54.000 0.041 0.000 0.833 121 D CB -0.161 40.656 40.800 0.028 0.000 0.961 121 D HN 0.345 nan 8.370 nan 0.000 0.470 122 A N 0.318 123.161 122.820 0.038 0.000 1.865 122 A HA -0.152 4.169 4.320 0.002 0.000 0.217 122 A C 2.351 179.956 177.584 0.035 0.000 1.191 122 A CA 1.454 53.512 52.037 0.035 0.000 0.623 122 A CB -0.941 18.076 19.000 0.028 0.000 0.826 122 A HN 0.359 nan 8.150 nan 0.000 0.444 123 I N -0.235 120.358 120.570 0.039 0.000 2.091 123 I HA -0.321 3.850 4.170 0.002 0.000 0.239 123 I C 2.353 178.487 176.117 0.028 0.000 1.061 123 I CA 2.189 63.510 61.300 0.034 0.000 1.317 123 I CB -0.569 37.471 38.000 0.067 0.000 1.031 123 I HN 0.467 nan 8.210 nan 0.000 0.401 124 D N 0.730 121.203 120.400 0.123 0.000 2.182 124 D HA -0.230 4.411 4.640 0.002 0.000 0.201 124 D C 2.192 178.539 176.300 0.077 0.000 0.986 124 D CA 1.353 55.472 54.000 0.199 0.000 0.847 124 D CB 0.024 40.968 40.800 0.240 0.000 0.942 124 D HN 0.121 nan 8.370 nan 0.000 0.467 125 K N -0.572 119.866 120.400 0.063 0.000 2.063 125 K HA -0.124 4.197 4.320 0.002 0.000 0.208 125 K C 1.968 178.631 176.600 0.106 0.000 1.048 125 K CA 1.266 57.596 56.287 0.072 0.000 0.928 125 K CB -0.117 32.420 32.500 0.062 0.000 0.713 125 K HN 0.197 nan 8.250 nan 0.000 0.442 126 A N 0.714 123.564 122.820 0.050 0.000 1.975 126 A HA -0.057 4.264 4.320 0.002 0.000 0.215 126 A C 1.732 179.174 177.584 -0.237 0.000 1.170 126 A CA 0.909 52.943 52.037 -0.005 0.000 0.656 126 A CB -0.073 18.884 19.000 -0.071 0.000 0.821 126 A HN 0.196 nan 8.150 nan 0.000 0.449 127 E N 0.533 120.507 120.200 -0.377 0.000 2.170 127 E HA -0.069 4.282 4.350 0.002 0.000 0.191 127 E C -0.069 176.097 176.600 -0.724 0.000 0.981 127 E CA 0.354 56.262 56.400 -0.820 0.000 0.830 127 E CB -0.222 28.545 29.700 -1.555 0.000 0.775 127 E HN 0.564 nan 8.360 nan 0.000 0.470 128 D N 1.220 121.440 120.400 -0.301 0.000 2.336 128 D HA 0.010 4.651 4.640 0.002 0.000 0.249 128 D C 0.996 177.306 176.300 0.017 0.000 1.213 128 D CA -0.135 53.863 54.000 -0.003 0.000 0.870 128 D CB 0.628 41.529 40.800 0.169 0.000 1.076 128 D HN -0.207 nan 8.370 nan 0.000 0.483 129 R N 3.486 123.989 120.500 0.004 0.000 2.105 129 R HA -0.165 4.176 4.340 0.002 0.000 0.239 129 R C 1.995 178.354 176.300 0.099 0.000 1.135 129 R CA 0.861 56.983 56.100 0.037 0.000 0.967 129 R CB -0.317 29.983 30.300 0.001 0.000 0.861 129 R HN 0.547 nan 8.270 nan 0.000 0.442 130 R N 0.967 121.515 120.500 0.079 0.000 2.066 130 R HA -0.046 4.295 4.340 0.002 0.000 0.232 130 R C 2.305 178.645 176.300 0.066 0.000 1.131 130 R CA 1.154 57.293 56.100 0.065 0.000 0.955 130 R CB -0.010 30.328 30.300 0.064 0.000 0.851 130 R HN 0.113 nan 8.270 nan 0.000 0.432 131 R N -0.539 120.011 120.500 0.083 0.000 2.081 131 R HA -0.162 4.179 4.340 0.002 0.000 0.235 131 R C 2.215 178.551 176.300 0.061 0.000 1.131 131 R CA 1.678 57.818 56.100 0.067 0.000 0.960 131 R CB -0.500 29.848 30.300 0.080 0.000 0.856 131 R HN 0.234 nan 8.270 nan 0.000 0.436 132 F N 1.986 121.913 119.950 -0.039 0.000 2.102 132 F HA -0.232 4.296 4.527 0.002 0.000 0.298 132 F C 1.846 177.619 175.800 -0.045 0.000 1.105 132 F CA 1.974 59.942 58.000 -0.054 0.000 1.239 132 F CB -0.369 38.583 39.000 -0.080 0.000 0.991 132 F HN -0.019 nan 8.300 nan 0.000 0.474 133 D N -0.511 119.896 120.400 0.010 0.000 2.123 133 D HA -0.181 4.460 4.640 0.002 0.000 0.196 133 D C 2.221 178.444 176.300 -0.127 0.000 0.992 133 D CA 1.602 55.566 54.000 -0.060 0.000 0.833 133 D CB -0.095 40.722 40.800 0.028 0.000 0.954 133 D HN 0.179 nan 8.370 nan 0.000 0.455 134 V N 0.583 120.444 119.914 -0.088 0.000 2.343 134 V HA -0.217 3.904 4.120 0.002 0.000 0.247 134 V C 2.486 178.503 176.094 -0.128 0.000 1.051 134 V CA 1.710 63.963 62.300 -0.080 0.000 1.036 134 V CB -0.848 30.950 31.823 -0.040 0.000 0.654 134 V HN 0.332 nan 8.190 nan 0.000 0.451 135 A N -0.153 122.554 122.820 -0.188 0.000 1.908 135 A HA -0.242 4.079 4.320 0.002 0.000 0.218 135 A C 2.230 179.653 177.584 -0.267 0.000 1.181 135 A CA 2.199 54.102 52.037 -0.222 0.000 0.627 135 A CB -0.463 18.384 19.000 -0.255 0.000 0.818 135 A HN 0.429 nan 8.150 nan 0.000 0.445 136 M N -0.368 118.999 119.600 -0.389 0.000 2.117 136 M HA -0.122 4.359 4.480 0.002 0.000 0.262 136 M C 2.105 178.314 176.300 -0.152 0.000 1.065 136 M CA 2.128 57.247 55.300 -0.300 0.000 1.114 136 M CB -1.257 31.137 32.600 -0.344 0.000 1.361 136 M HN 0.602 nan 8.290 nan 0.000 0.408 137 K N 0.733 121.059 120.400 -0.124 0.000 2.097 137 K HA -0.158 4.163 4.320 0.002 0.000 0.206 137 K C 2.173 178.736 176.600 -0.062 0.000 1.049 137 K CA 1.234 57.478 56.287 -0.072 0.000 0.933 137 K CB -0.092 32.374 32.500 -0.057 0.000 0.717 137 K HN 0.068 nan 8.250 nan 0.000 0.442 138 K N 1.489 121.843 120.400 -0.075 0.000 2.147 138 K HA -0.121 4.200 4.320 0.002 0.000 0.205 138 K C 1.635 178.203 176.600 -0.053 0.000 1.049 138 K CA 1.529 57.781 56.287 -0.059 0.000 0.936 138 K CB -0.083 32.380 32.500 -0.061 0.000 0.722 138 K HN 0.541 nan 8.250 nan 0.000 0.446 139 I N -3.326 117.204 120.570 -0.066 0.000 3.904 139 I HA 0.302 4.473 4.170 0.002 0.000 0.333 139 I C 0.651 176.749 176.117 -0.033 0.000 1.361 139 I CA 0.239 61.510 61.300 -0.047 0.000 1.116 139 I CB 0.093 38.063 38.000 -0.050 0.000 1.028 139 I HN 0.109 nan 8.210 nan 0.000 0.398 140 G N 2.335 111.115 108.800 -0.033 0.000 2.221 140 G HA2 -0.234 3.727 3.960 0.002 0.000 0.265 140 G HA3 -0.234 3.727 3.960 0.002 0.000 0.265 140 G C -0.124 174.771 174.900 -0.008 0.000 1.041 140 G CA 0.158 45.247 45.100 -0.019 0.000 0.807 140 G HN 0.455 nan 8.290 nan 0.000 0.502 141 L N -0.322 120.891 121.223 -0.017 0.000 2.322 141 L HA 0.545 4.886 4.340 0.002 0.000 0.279 141 L C 0.689 177.567 176.870 0.012 0.000 1.036 141 L CA -0.797 54.050 54.840 0.011 0.000 0.807 141 L CB 1.662 43.731 42.059 0.016 0.000 1.226 141 L HN 0.294 nan 8.230 nan 0.000 0.433 142 E N 1.466 121.697 120.200 0.052 0.000 2.283 142 E HA 0.312 4.663 4.350 0.002 0.000 0.278 142 E C -0.761 175.874 176.600 0.058 0.000 1.027 142 E CA -0.389 56.043 56.400 0.054 0.000 0.843 142 E CB 1.286 31.038 29.700 0.086 0.000 1.062 142 E HN 0.651 nan 8.360 nan 0.000 0.401 143 T N 0.271 114.842 114.554 0.029 0.000 2.916 143 T HA 0.706 5.057 4.350 0.002 0.000 0.292 143 T C -0.112 174.586 174.700 -0.003 0.000 1.064 143 T CA -0.820 61.293 62.100 0.023 0.000 1.011 143 T CB 1.543 70.424 68.868 0.022 0.000 1.152 143 T HN 0.488 nan 8.240 nan 0.000 0.510 144 A N 1.641 124.442 122.820 -0.032 0.000 2.466 144 A HA 0.452 4.773 4.320 0.002 0.000 0.238 144 A C 0.722 178.276 177.584 -0.050 0.000 1.074 144 A CA -0.492 51.500 52.037 -0.074 0.000 0.774 144 A CB -0.144 18.785 19.000 -0.118 0.000 1.015 144 A HN 0.996 nan 8.150 nan 0.000 0.498 145 R N 0.796 121.262 120.500 -0.056 0.000 2.522 145 R HA 0.291 4.632 4.340 0.002 0.000 0.284 145 R C 0.025 176.297 176.300 -0.046 0.000 1.032 145 R CA 1.055 57.129 56.100 -0.044 0.000 1.049 145 R CB 0.058 30.330 30.300 -0.047 0.000 0.956 145 R HN 1.031 nan 8.270 nan 0.000 0.422 146 S N 1.895 117.574 115.700 -0.035 0.000 2.727 146 S HA 0.773 5.244 4.470 0.002 0.000 0.278 146 S C -0.710 173.873 174.600 -0.028 0.000 1.186 146 S CA -0.549 57.632 58.200 -0.032 0.000 0.836 146 S CB 1.692 64.878 63.200 -0.023 0.000 1.186 146 S HN 0.736 nan 8.310 nan 0.000 0.499 147 G N -0.171 108.615 108.800 -0.024 0.000 2.733 147 G HA2 0.610 4.571 3.960 0.002 0.000 0.297 147 G HA3 0.610 4.571 3.960 0.002 0.000 0.297 147 G C -1.489 173.390 174.900 -0.036 0.000 1.422 147 G CA -0.710 44.373 45.100 -0.028 0.000 0.942 147 G HN 0.629 nan 8.290 nan 0.000 0.510 148 I N 0.965 121.496 120.570 -0.064 0.000 2.428 148 I HA 0.639 4.810 4.170 0.002 0.000 0.296 148 I C 0.439 176.443 176.117 -0.189 0.000 0.985 148 I CA -0.555 60.669 61.300 -0.128 0.000 1.260 148 I CB 1.473 39.380 38.000 -0.155 0.000 1.389 148 I HN 0.641 nan 8.210 nan 0.000 0.484 149 A N 4.903 127.580 122.820 -0.239 0.000 2.449 149 A HA 0.623 4.944 4.320 0.002 0.000 0.302 149 A C -0.569 176.843 177.584 -0.287 0.000 1.048 149 A CA -0.432 51.479 52.037 -0.210 0.000 0.708 149 A CB 0.877 19.851 19.000 -0.044 0.000 1.274 149 A HN 0.869 nan 8.150 nan 0.000 0.410 150 H N 0.184 119.271 119.070 0.029 0.000 3.170 150 H HA 0.276 4.833 4.556 0.002 0.000 0.264 150 H C 0.425 175.765 175.328 0.021 0.000 1.113 150 H CA 0.814 56.875 56.048 0.022 0.000 1.194 150 H CB 1.131 30.904 29.762 0.020 0.000 1.553 150 H HN 0.789 nan 8.280 nan 0.000 0.538 151 T N -3.509 111.115 114.554 0.116 0.000 2.843 151 T HA 0.163 4.514 4.350 0.002 0.000 0.302 151 T C 0.802 175.540 174.700 0.065 0.000 1.232 151 T CA -0.916 61.233 62.100 0.082 0.000 1.009 151 T CB 1.800 70.715 68.868 0.078 0.000 1.254 151 T HN -0.033 nan 8.240 nan 0.000 0.504 152 M N 0.977 120.614 119.600 0.061 0.000 2.108 152 M HA -0.018 4.463 4.480 0.002 0.000 0.261 152 M C 2.131 178.495 176.300 0.107 0.000 1.066 152 M CA 2.294 57.639 55.300 0.076 0.000 1.107 152 M CB -0.780 31.862 32.600 0.070 0.000 1.356 152 M HN 0.915 nan 8.290 nan 0.000 0.406 153 E N -0.341 119.908 120.200 0.081 0.000 2.058 153 E HA -0.243 4.108 4.350 0.002 0.000 0.194 153 E C 1.809 178.450 176.600 0.068 0.000 0.997 153 E CA 1.853 58.295 56.400 0.071 0.000 0.801 153 E CB -0.147 29.585 29.700 0.053 0.000 0.746 153 E HN 0.681 nan 8.360 nan 0.000 0.450 154 E N 0.208 120.446 120.200 0.062 0.000 2.051 154 E HA -0.224 4.127 4.350 0.002 0.000 0.192 154 E C 2.133 178.772 176.600 0.066 0.000 0.991 154 E CA 0.817 57.244 56.400 0.046 0.000 0.799 154 E CB -0.228 29.488 29.700 0.028 0.000 0.748 154 E HN 0.377 nan 8.360 nan 0.000 0.449 155 A N 1.727 124.613 122.820 0.109 0.000 1.869 155 A HA -0.245 4.076 4.320 0.002 0.000 0.218 155 A C 2.271 180.032 177.584 0.294 0.000 1.203 155 A CA 1.616 53.785 52.037 0.220 0.000 0.638 155 A CB -1.051 18.082 19.000 0.221 0.000 0.831 155 A HN 0.172 nan 8.150 nan 0.000 0.450 156 L N -0.979 120.402 121.223 0.262 0.000 2.081 156 L HA -0.276 4.065 4.340 0.002 0.000 0.212 156 L C 3.054 179.895 176.870 -0.049 0.000 1.080 156 L CA 1.256 56.160 54.840 0.106 0.000 0.754 156 L CB -0.501 41.626 42.059 0.114 0.000 0.893 156 L HN 0.498 nan 8.230 nan 0.000 0.433 157 A N -0.695 122.120 122.820 -0.008 0.000 1.897 157 A HA -0.105 4.216 4.320 0.002 0.000 0.215 157 A C 2.302 179.842 177.584 -0.072 0.000 1.181 157 A CA 1.427 53.438 52.037 -0.043 0.000 0.620 157 A CB -0.683 18.307 19.000 -0.016 0.000 0.821 157 A HN 0.184 nan 8.150 nan 0.000 0.443 158 V N 0.037 119.927 119.914 -0.041 0.000 2.407 158 V HA -0.259 3.862 4.120 0.002 0.000 0.248 158 V C 3.024 179.033 176.094 -0.142 0.000 1.055 158 V CA 1.868 64.135 62.300 -0.056 0.000 1.049 158 V CB -1.241 30.584 31.823 0.003 0.000 0.662 158 V HN 0.607 nan 8.190 nan 0.000 0.455 159 A N 0.194 122.870 122.820 -0.239 0.000 1.877 159 A HA -0.125 4.196 4.320 0.002 0.000 0.216 159 A C 2.465 179.748 177.584 -0.502 0.000 1.186 159 A CA 2.044 53.771 52.037 -0.517 0.000 0.620 159 A CB -0.876 17.560 19.000 -0.940 0.000 0.822 159 A HN 0.580 nan 8.150 nan 0.000 0.443 160 A N -0.267 122.339 122.820 -0.356 0.000 1.986 160 A HA -0.239 4.082 4.320 0.002 0.000 0.220 160 A C 1.827 179.280 177.584 -0.219 0.000 1.171 160 A CA 2.404 54.279 52.037 -0.270 0.000 0.640 160 A CB -0.623 18.276 19.000 -0.169 0.000 0.811 160 A HN 0.609 nan 8.150 nan 0.000 0.451 161 D N -0.767 119.521 120.400 -0.187 0.000 2.144 161 D HA -0.095 4.546 4.640 0.002 0.000 0.207 161 D C 2.003 178.211 176.300 -0.154 0.000 0.970 161 D CA 1.997 55.913 54.000 -0.140 0.000 0.853 161 D CB -0.113 40.629 40.800 -0.098 0.000 1.007 161 D HN 0.344 nan 8.370 nan 0.000 0.469 162 V N -2.221 117.585 119.914 -0.179 0.000 2.591 162 V HA 0.320 4.441 4.120 0.002 0.000 0.249 162 V C 1.366 177.333 176.094 -0.213 0.000 1.053 162 V CA 0.962 63.163 62.300 -0.164 0.000 1.068 162 V CB -1.184 30.562 31.823 -0.128 0.000 0.689 162 V HN 0.407 nan 8.190 nan 0.000 0.462 163 G N -0.299 108.283 108.800 -0.364 0.000 2.828 163 G HA2 -0.182 3.779 3.960 0.002 0.000 0.463 163 G HA3 -0.182 3.779 3.960 0.002 0.000 0.463 163 G C -0.690 173.914 174.900 -0.494 0.000 1.394 163 G CA -0.133 44.672 45.100 -0.491 0.000 0.862 163 G HN 0.625 nan 8.290 nan 0.000 0.540 164 F N 1.361 121.256 119.950 -0.092 0.000 2.432 164 F HA 0.604 5.132 4.527 0.002 0.000 0.329 164 F C -0.837 174.943 175.800 -0.034 0.000 1.076 164 F CA -1.550 56.404 58.000 -0.076 0.000 1.018 164 F CB 1.778 40.756 39.000 -0.037 0.000 1.201 164 F HN 0.506 nan 8.300 nan 0.000 0.489 165 P HA 0.274 nan 4.420 nan 0.000 0.276 165 P C -1.169 176.174 177.300 0.073 0.000 1.252 165 P CA -0.482 62.678 63.100 0.100 0.000 0.802 165 P CB 0.963 32.424 31.700 -0.399 0.000 1.035 166 C N -0.369 118.999 119.300 0.113 0.000 2.889 166 C HA 0.758 5.219 4.460 0.002 0.000 0.307 166 C C -0.490 174.518 174.990 0.030 0.000 1.251 166 C CA -0.981 58.073 59.018 0.059 0.000 1.593 166 C CB 0.199 27.981 27.740 0.070 0.000 2.104 166 C HN 0.374 nan 8.230 nan 0.000 0.476 167 I N 2.104 122.676 120.570 0.004 0.000 2.336 167 I HA 0.511 4.682 4.170 0.002 0.000 0.292 167 I C 0.002 176.131 176.117 0.020 0.000 0.991 167 I CA -0.711 60.583 61.300 -0.011 0.000 1.227 167 I CB 1.057 39.031 38.000 -0.045 0.000 1.366 167 I HN 0.564 nan 8.210 nan 0.000 0.466 168 I N 6.999 127.576 120.570 0.011 0.000 2.362 168 I HA 0.498 4.669 4.170 0.002 0.000 0.289 168 I C -0.128 175.975 176.117 -0.023 0.000 0.994 168 I CA -0.505 60.792 61.300 -0.005 0.000 1.158 168 I CB 0.732 38.700 38.000 -0.054 0.000 1.315 168 I HN 0.383 nan 8.210 nan 0.000 0.451 169 R N 6.513 126.999 120.500 -0.024 0.000 2.473 169 R HA 0.430 4.771 4.340 0.002 0.000 0.303 169 R C -2.777 173.507 176.300 -0.027 0.000 1.002 169 R CA -1.851 54.232 56.100 -0.028 0.000 0.884 169 R CB 1.739 32.016 30.300 -0.039 0.000 1.173 169 R HN 0.216 nan 8.270 nan 0.000 0.464 170 P HA 0.071 nan 4.420 nan 0.000 0.272 170 P C -0.346 176.956 177.300 0.004 0.000 1.230 170 P CA -0.118 62.981 63.100 -0.001 0.000 0.788 170 P CB 0.815 32.519 31.700 0.006 0.000 0.949 171 S N 0.995 116.725 115.700 0.050 0.000 2.586 171 S HA 0.396 4.867 4.470 0.002 0.000 0.274 171 S C -0.062 174.639 174.600 0.169 0.000 1.281 171 S CA -0.164 58.074 58.200 0.064 0.000 1.035 171 S CB -0.661 62.639 63.200 0.166 0.000 0.962 171 S HN 0.444 nan 8.310 nan 0.000 0.512 172 F N 0.110 120.043 119.950 -0.028 0.000 3.018 172 F HA -0.233 4.295 4.527 0.002 0.000 0.287 172 F C 0.893 176.671 175.800 -0.036 0.000 0.813 172 F CA 0.855 58.835 58.000 -0.032 0.000 1.209 172 F CB -2.092 36.892 39.000 -0.026 0.000 1.321 172 F HN 0.637 nan 8.300 nan 0.000 0.477 173 T N -1.952 112.622 114.554 0.034 0.000 2.887 173 T HA 0.900 5.251 4.350 0.002 0.000 0.292 173 T C -0.223 174.464 174.700 -0.021 0.000 1.087 173 T CA -0.221 61.888 62.100 0.015 0.000 1.009 173 T CB 2.973 71.848 68.868 0.011 0.000 1.203 173 T HN 0.436 nan 8.240 nan 0.000 0.518 174 M N -0.685 118.910 119.600 -0.010 0.000 3.079 174 M HA 0.832 5.313 4.480 0.002 0.000 0.277 174 M C 0.823 177.125 176.300 0.003 0.000 1.317 174 M CA 0.230 55.537 55.300 0.011 0.000 0.793 174 M CB 0.210 32.818 32.600 0.014 0.000 1.690 174 M HN 1.544 nan 8.290 nan 0.000 0.451 175 G N -0.665 108.152 108.800 0.029 0.000 2.212 175 G HA2 0.161 4.122 3.960 0.002 0.000 0.267 175 G HA3 0.161 4.122 3.960 0.002 0.000 0.267 175 G C 1.208 175.920 174.900 -0.312 0.000 1.002 175 G CA 1.119 46.066 45.100 -0.255 0.000 0.729 175 G HN 2.566 nan 8.290 nan 0.000 0.517 176 G N -1.735 107.056 108.800 -0.015 0.000 2.168 176 G HA2 -0.094 3.867 3.960 0.002 0.000 0.263 176 G HA3 -0.094 3.867 3.960 0.002 0.000 0.263 176 G C 0.596 175.476 174.900 -0.034 0.000 0.977 176 G CA 0.772 45.897 45.100 0.041 0.000 0.659 176 G HN 1.898 nan 8.290 nan 0.000 0.533 177 S N 0.238 115.902 115.700 -0.060 0.000 2.596 177 S HA 0.411 4.882 4.470 0.002 0.000 0.298 177 S C 1.688 176.261 174.600 -0.044 0.000 1.255 177 S CA 1.141 59.302 58.200 -0.065 0.000 1.083 177 S CB 0.910 64.073 63.200 -0.062 0.000 0.837 177 S HN 2.122 nan 8.310 nan 0.000 0.499 178 G N 2.324 111.091 108.800 -0.055 0.000 2.159 178 G HA2 -0.155 3.806 3.960 0.002 0.000 0.256 178 G HA3 -0.155 3.806 3.960 0.002 0.000 0.256 178 G C 0.309 175.178 174.900 -0.051 0.000 0.977 178 G CA -0.093 44.976 45.100 -0.051 0.000 0.652 178 G HN 1.128 nan 8.290 nan 0.000 0.531 179 G N -1.454 107.322 108.800 -0.041 0.000 2.820 179 G HA2 1.026 4.987 3.960 0.002 0.000 0.291 179 G HA3 1.026 4.987 3.960 0.002 0.000 0.291 179 G C 0.224 175.108 174.900 -0.027 0.000 1.323 179 G CA 0.183 45.263 45.100 -0.034 0.000 1.055 179 G HN 1.649 nan 8.290 nan 0.000 0.520 180 G N -1.751 107.036 108.800 -0.020 0.000 2.321 180 G HA2 0.426 4.387 3.960 0.002 0.000 0.296 180 G HA3 0.426 4.387 3.960 0.002 0.000 0.296 180 G C -1.822 173.066 174.900 -0.021 0.000 1.287 180 G CA -0.828 44.268 45.100 -0.008 0.000 0.846 180 G HN 0.689 nan 8.290 nan 0.000 0.508 181 I N 1.302 121.852 120.570 -0.033 0.000 2.362 181 I HA 0.586 4.757 4.170 0.002 0.000 0.289 181 I C 0.489 176.491 176.117 -0.192 0.000 0.994 181 I CA -0.733 60.479 61.300 -0.147 0.000 1.158 181 I CB 1.928 39.778 38.000 -0.249 0.000 1.315 181 I HN 0.683 nan 8.210 nan 0.000 0.451 182 A N 5.663 128.406 122.820 -0.128 0.000 2.252 182 A HA 0.447 4.768 4.320 0.002 0.000 0.309 182 A C -0.336 177.056 177.584 -0.320 0.000 1.285 182 A CA -0.191 51.803 52.037 -0.071 0.000 0.900 182 A CB 0.004 19.186 19.000 0.304 0.000 1.157 182 A HN 0.744 nan 8.150 nan 0.000 0.536 183 Y N 1.673 121.841 120.300 -0.220 0.000 2.500 183 Y HA 0.097 4.648 4.550 0.002 0.000 0.270 183 Y C 0.875 176.376 175.900 -0.666 0.000 1.134 183 Y CA 0.765 58.703 58.100 -0.271 0.000 1.293 183 Y CB 0.209 38.589 38.460 -0.134 0.000 1.063 183 Y HN 0.918 nan 8.280 nan 0.000 0.534 184 N N -2.595 115.599 118.700 -0.843 0.000 3.020 184 N HA 0.188 4.929 4.740 0.002 0.000 0.248 184 N C 0.295 175.340 175.510 -0.776 0.000 1.480 184 N CA -1.007 51.450 53.050 -0.989 0.000 0.874 184 N CB 0.621 38.918 38.487 -0.317 0.000 1.433 184 N HN -0.187 nan 8.380 nan 0.000 0.530 185 R N -0.037 120.280 120.500 -0.304 0.000 2.081 185 R HA -0.077 4.264 4.340 0.002 0.000 0.235 185 R C 1.009 177.399 176.300 0.150 0.000 1.131 185 R CA 1.749 57.915 56.100 0.109 0.000 0.960 185 R CB -0.178 30.225 30.300 0.170 0.000 0.856 185 R HN 0.766 nan 8.270 nan 0.000 0.436 186 E N 0.282 120.511 120.200 0.048 0.000 2.023 186 E HA -0.223 4.128 4.350 0.002 0.000 0.196 186 E C 1.927 178.558 176.600 0.052 0.000 1.003 186 E CA 1.948 58.378 56.400 0.051 0.000 0.809 186 E CB -0.035 29.674 29.700 0.016 0.000 0.755 186 E HN 0.488 nan 8.360 nan 0.000 0.449 187 E N 0.102 120.313 120.200 0.019 0.000 2.118 187 E HA -0.227 4.124 4.350 0.002 0.000 0.195 187 E C 1.954 178.578 176.600 0.040 0.000 0.992 187 E CA 0.957 57.369 56.400 0.020 0.000 0.804 187 E CB -0.312 29.396 29.700 0.015 0.000 0.741 187 E HN 0.239 nan 8.360 nan 0.000 0.458 188 F N 2.178 122.096 119.950 -0.054 0.000 2.091 188 F HA -0.238 4.290 4.527 0.002 0.000 0.299 188 F C 2.184 178.007 175.800 0.038 0.000 1.103 188 F CA 1.762 59.776 58.000 0.023 0.000 1.228 188 F CB 0.096 39.171 39.000 0.124 0.000 0.984 188 F HN -0.070 nan 8.300 nan 0.000 0.477 189 E N -0.251 119.979 120.200 0.050 0.000 2.072 189 E HA -0.260 4.091 4.350 0.002 0.000 0.191 189 E C 2.201 178.746 176.600 -0.092 0.000 0.985 189 E CA 1.249 57.636 56.400 -0.022 0.000 0.801 189 E CB -0.351 29.405 29.700 0.095 0.000 0.750 189 E HN 0.571 nan 8.360 nan 0.000 0.452 190 E N 0.951 121.117 120.200 -0.057 0.000 2.038 190 E HA -0.220 4.131 4.350 0.002 0.000 0.195 190 E C 2.145 178.679 176.600 -0.109 0.000 1.000 190 E CA 1.119 57.482 56.400 -0.063 0.000 0.803 190 E CB -0.083 29.596 29.700 -0.035 0.000 0.750 190 E HN 0.203 nan 8.360 nan 0.000 0.448 191 I N 0.601 121.085 120.570 -0.144 0.000 2.226 191 I HA -0.332 3.839 4.170 0.002 0.000 0.245 191 I C 2.729 178.719 176.117 -0.213 0.000 1.100 191 I CA 0.747 61.950 61.300 -0.162 0.000 1.374 191 I CB -0.293 37.610 38.000 -0.161 0.000 1.057 191 I HN 0.313 nan 8.210 nan 0.000 0.413 192 C N 0.657 119.752 119.300 -0.342 0.000 2.432 192 C HA -0.137 4.324 4.460 0.002 0.000 0.277 192 C C 3.233 178.128 174.990 -0.159 0.000 1.249 192 C CA 0.930 59.755 59.018 -0.321 0.000 1.725 192 C CB -1.210 26.225 27.740 -0.508 0.000 2.028 192 C HN 0.608 nan 8.230 nan 0.000 0.477 193 A N 0.496 123.243 122.820 -0.121 0.000 1.883 193 A HA -0.269 4.052 4.320 0.002 0.000 0.217 193 A C 2.219 179.767 177.584 -0.060 0.000 1.186 193 A CA 2.106 54.108 52.037 -0.058 0.000 0.624 193 A CB -0.704 18.279 19.000 -0.030 0.000 0.822 193 A HN 0.667 nan 8.150 nan 0.000 0.444 194 R N -0.757 119.693 120.500 -0.085 0.000 2.083 194 R HA -0.137 4.204 4.340 0.002 0.000 0.237 194 R C 2.213 178.477 176.300 -0.060 0.000 1.137 194 R CA 1.894 57.946 56.100 -0.080 0.000 0.951 194 R CB -0.683 29.564 30.300 -0.088 0.000 0.851 194 R HN 0.462 nan 8.270 nan 0.000 0.434 195 G N 0.283 109.043 108.800 -0.066 0.000 2.408 195 G HA2 -0.150 3.811 3.960 0.002 0.000 0.215 195 G HA3 -0.150 3.811 3.960 0.002 0.000 0.215 195 G C 1.441 176.330 174.900 -0.019 0.000 1.156 195 G CA 0.251 45.325 45.100 -0.044 0.000 0.793 195 G HN 0.225 nan 8.290 nan 0.000 0.535 196 L N 0.311 121.522 121.223 -0.021 0.000 2.042 196 L HA -0.086 4.255 4.340 0.002 0.000 0.210 196 L C 2.510 179.391 176.870 0.019 0.000 1.076 196 L CA 1.458 56.303 54.840 0.010 0.000 0.749 196 L CB -0.215 41.853 42.059 0.014 0.000 0.893 196 L HN 0.146 nan 8.230 nan 0.000 0.432 197 D N -0.465 119.940 120.400 0.009 0.000 2.144 197 D HA -0.178 4.463 4.640 0.002 0.000 0.200 197 D C 1.971 178.280 176.300 0.015 0.000 0.978 197 D CA 0.837 54.848 54.000 0.017 0.000 0.833 197 D CB 0.159 40.969 40.800 0.016 0.000 0.961 197 D HN 0.074 nan 8.370 nan 0.000 0.470 198 L N -0.021 121.204 121.223 0.003 0.000 2.131 198 L HA 0.157 4.498 4.340 0.002 0.000 0.206 198 L C 0.768 177.649 176.870 0.019 0.000 1.087 198 L CA 0.605 55.448 54.840 0.005 0.000 0.767 198 L CB -0.626 41.427 42.059 -0.011 0.000 0.917 198 L HN -0.153 nan 8.230 nan 0.000 0.441 199 S N 0.427 116.144 115.700 0.028 0.000 2.596 199 S HA 0.028 4.499 4.470 0.002 0.000 0.298 199 S C -1.389 173.238 174.600 0.045 0.000 1.255 199 S CA -0.869 57.365 58.200 0.057 0.000 1.083 199 S CB 0.397 63.640 63.200 0.073 0.000 0.837 199 S HN 0.142 nan 8.310 nan 0.000 0.499 200 P HA -0.043 nan 4.420 nan 0.000 0.219 200 P C 1.038 178.289 177.300 -0.082 0.000 1.146 200 P CA 1.158 64.236 63.100 -0.038 0.000 0.808 200 P CB -0.156 31.488 31.700 -0.093 0.000 0.779 201 T N -5.046 109.499 114.554 -0.016 0.000 3.176 201 T HA 0.188 4.539 4.350 0.002 0.000 0.263 201 T C 0.677 175.413 174.700 0.059 0.000 1.021 201 T CA -0.597 61.497 62.100 -0.010 0.000 0.905 201 T CB -0.590 68.294 68.868 0.027 0.000 1.057 201 T HN -0.073 nan 8.240 nan 0.000 0.558 202 K N 1.050 121.487 120.400 0.062 0.000 3.311 202 K HA -0.207 4.114 4.320 0.002 0.000 0.270 202 K C -0.637 176.073 176.600 0.183 0.000 0.927 202 K CA 0.741 57.080 56.287 0.086 0.000 0.706 202 K CB -1.093 31.439 32.500 0.053 0.000 1.418 202 K HN 0.848 nan 8.250 nan 0.000 0.459 203 E N 0.768 121.067 120.200 0.166 0.000 2.343 203 E HA 0.468 4.819 4.350 0.002 0.000 0.278 203 E C -1.062 175.575 176.600 0.063 0.000 0.910 203 E CA -0.815 55.690 56.400 0.175 0.000 0.757 203 E CB 1.226 31.076 29.700 0.249 0.000 1.218 203 E HN 0.246 nan 8.360 nan 0.000 0.435 204 L N 3.206 124.424 121.223 -0.009 0.000 2.354 204 L HA 0.586 4.927 4.340 0.002 0.000 0.264 204 L C -1.010 175.836 176.870 -0.040 0.000 1.008 204 L CA -1.232 53.593 54.840 -0.024 0.000 0.819 204 L CB 1.793 43.830 42.059 -0.036 0.000 1.339 204 L HN 0.450 nan 8.230 nan 0.000 0.420 205 L N 2.674 123.882 121.223 -0.024 0.000 2.333 205 L HA 0.614 4.955 4.340 0.002 0.000 0.280 205 L C -1.010 175.858 176.870 -0.004 0.000 1.004 205 L CA 0.064 54.893 54.840 -0.019 0.000 0.820 205 L CB 1.475 43.526 42.059 -0.013 0.000 1.247 205 L HN 0.373 nan 8.230 nan 0.000 0.416 206 I N 4.751 125.329 120.570 0.012 0.000 2.389 206 I HA 0.427 4.598 4.170 0.002 0.000 0.288 206 I C -0.632 175.491 176.117 0.011 0.000 0.999 206 I CA -0.255 61.074 61.300 0.048 0.000 1.129 206 I CB 1.419 39.494 38.000 0.125 0.000 1.288 206 I HN 0.558 nan 8.210 nan 0.000 0.444 207 D N 5.613 126.012 120.400 -0.003 0.000 2.419 207 D HA 0.263 4.904 4.640 0.002 0.000 0.234 207 D C -0.576 175.691 176.300 -0.055 0.000 1.014 207 D CA -0.556 53.421 54.000 -0.038 0.000 0.919 207 D CB 2.160 42.927 40.800 -0.055 0.000 1.366 207 D HN 0.575 nan 8.370 nan 0.000 0.490 208 E N -0.442 119.710 120.200 -0.080 0.000 2.392 208 E HA 0.200 4.551 4.350 0.002 0.000 0.256 208 E C -0.221 176.308 176.600 -0.118 0.000 1.145 208 E CA -0.625 55.718 56.400 -0.094 0.000 0.929 208 E CB 0.805 30.446 29.700 -0.097 0.000 0.998 208 E HN 0.143 nan 8.360 nan 0.000 0.442 209 S N 1.185 116.819 115.700 -0.109 0.000 2.548 209 S HA 0.137 4.608 4.470 0.002 0.000 0.277 209 S C 0.277 174.740 174.600 -0.228 0.000 1.315 209 S CA -0.628 57.493 58.200 -0.131 0.000 1.050 209 S CB 0.046 63.201 63.200 -0.075 0.000 0.918 209 S HN 0.558 nan 8.310 nan 0.000 0.497 210 L N 4.998 126.033 121.223 -0.313 0.000 3.229 210 L HA 0.406 4.747 4.340 0.002 0.000 0.286 210 L C -0.141 176.549 176.870 -0.300 0.000 1.239 210 L CA -0.285 54.181 54.840 -0.623 0.000 1.035 210 L CB 0.085 41.623 42.059 -0.868 0.000 1.408 210 L HN 0.623 nan 8.230 nan 0.000 0.593 211 I N 1.482 121.986 120.570 -0.109 0.000 2.828 211 I HA -0.047 4.124 4.170 0.002 0.000 0.292 211 I C 1.466 177.641 176.117 0.097 0.000 1.206 211 I CA 1.428 62.734 61.300 0.011 0.000 1.420 211 I CB 0.334 38.357 38.000 0.038 0.000 1.368 211 I HN 0.482 nan 8.210 nan 0.000 0.556 212 G N 4.611 113.489 108.800 0.130 0.000 2.254 212 G HA2 -0.218 3.743 3.960 0.002 0.000 0.225 212 G HA3 -0.218 3.743 3.960 0.002 0.000 0.225 212 G C -0.040 175.041 174.900 0.302 0.000 1.003 212 G CA -0.653 44.543 45.100 0.159 0.000 0.622 212 G HN 0.476 nan 8.290 nan 0.000 0.507 213 W N 2.033 123.366 121.300 0.055 0.000 2.034 213 W HA 0.590 5.251 4.660 0.002 0.000 0.357 213 W C 1.136 177.704 176.519 0.081 0.000 1.326 213 W CA -0.465 56.931 57.345 0.085 0.000 1.318 213 W CB 0.317 29.831 29.460 0.091 0.000 1.193 213 W HN 0.035 nan 8.180 nan 0.000 0.620 214 K N 1.377 121.965 120.400 0.312 0.000 2.295 214 K HA 0.120 4.441 4.320 0.002 0.000 0.270 214 K C -0.290 176.412 176.600 0.170 0.000 1.011 214 K CA -0.280 56.116 56.287 0.181 0.000 0.953 214 K CB 0.803 33.425 32.500 0.203 0.000 0.956 214 K HN 0.376 nan 8.250 nan 0.000 0.477 215 E N 2.211 122.388 120.200 -0.038 0.000 2.187 215 E HA 0.284 4.635 4.350 0.002 0.000 0.268 215 E C -1.608 174.890 176.600 -0.169 0.000 0.896 215 E CA -0.601 55.809 56.400 0.016 0.000 0.766 215 E CB 0.826 30.543 29.700 0.027 0.000 1.142 215 E HN 0.360 nan 8.360 nan 0.000 0.408 216 Y N 1.352 121.752 120.300 0.168 0.000 2.545 216 Y HA 0.392 4.943 4.550 0.002 0.000 0.348 216 Y C -0.413 175.605 175.900 0.196 0.000 1.002 216 Y CA -0.793 57.407 58.100 0.166 0.000 1.039 216 Y CB 2.316 40.860 38.460 0.140 0.000 1.271 216 Y HN 0.459 nan 8.280 nan 0.000 0.467 217 E N 2.433 122.823 120.200 0.317 0.000 2.343 217 E HA 0.699 5.050 4.350 0.002 0.000 0.270 217 E C -1.449 175.278 176.600 0.211 0.000 0.895 217 E CA -1.071 55.466 56.400 0.228 0.000 0.767 217 E CB 3.184 32.953 29.700 0.115 0.000 1.248 217 E HN 0.469 nan 8.360 nan 0.000 0.440 218 M N 1.548 121.259 119.600 0.185 0.000 2.326 218 M HA 0.267 4.748 4.480 0.002 0.000 0.292 218 M C -1.237 175.105 176.300 0.069 0.000 1.081 218 M CA -0.784 54.586 55.300 0.116 0.000 0.919 218 M CB 2.419 35.083 32.600 0.107 0.000 1.634 218 M HN 0.324 nan 8.290 nan 0.000 0.451 219 E N 3.204 123.419 120.200 0.025 0.000 2.115 219 E HA 0.470 4.821 4.350 0.002 0.000 0.282 219 E C -1.098 175.473 176.600 -0.049 0.000 0.987 219 E CA -0.277 56.118 56.400 -0.008 0.000 0.797 219 E CB 1.745 31.432 29.700 -0.021 0.000 1.086 219 E HN 0.362 nan 8.360 nan 0.000 0.397 220 V N 2.545 122.440 119.914 -0.031 0.000 2.628 220 V HA 0.489 4.610 4.120 0.002 0.000 0.306 220 V C 0.074 176.144 176.094 -0.039 0.000 1.045 220 V CA -0.974 61.301 62.300 -0.043 0.000 0.905 220 V CB 2.162 33.984 31.823 -0.001 0.000 0.997 220 V HN 0.325 nan 8.190 nan 0.000 0.436 221 V N 4.074 123.955 119.914 -0.054 0.000 2.588 221 V HA 0.643 4.764 4.120 0.002 0.000 0.304 221 V C -0.217 175.890 176.094 0.022 0.000 1.042 221 V CA -0.651 61.646 62.300 -0.005 0.000 0.877 221 V CB 1.959 33.786 31.823 0.006 0.000 0.996 221 V HN 0.908 nan 8.190 nan 0.000 0.425 222 R N 2.536 123.062 120.500 0.043 0.000 2.686 222 R HA 0.594 4.935 4.340 0.002 0.000 0.283 222 R C -1.623 174.713 176.300 0.059 0.000 0.978 222 R CA -0.523 55.605 56.100 0.046 0.000 0.897 222 R CB 2.105 32.427 30.300 0.036 0.000 1.192 222 R HN 0.956 nan 8.270 nan 0.000 0.457 223 D N 1.790 122.228 120.400 0.063 0.000 2.392 223 D HA 0.115 4.756 4.640 0.002 0.000 0.246 223 D C 0.485 176.819 176.300 0.056 0.000 1.013 223 D CA -0.810 53.233 54.000 0.070 0.000 0.993 223 D CB 1.187 42.041 40.800 0.090 0.000 1.219 223 D HN 0.580 nan 8.370 nan 0.000 0.538 224 K N 0.007 120.439 120.400 0.054 0.000 2.283 224 K HA -0.094 4.228 4.320 0.002 0.000 0.202 224 K C 0.335 176.958 176.600 0.038 0.000 1.048 224 K CA 0.729 57.040 56.287 0.041 0.000 0.948 224 K CB -0.323 32.198 32.500 0.035 0.000 0.742 224 K HN 0.121 nan 8.250 nan 0.000 0.458 225 N N 1.357 120.084 118.700 0.046 0.000 2.461 225 N HA -0.075 4.666 4.740 0.002 0.000 0.188 225 N C -0.451 175.082 175.510 0.038 0.000 1.134 225 N CA 0.948 54.023 53.050 0.041 0.000 0.878 225 N CB 0.004 38.519 38.487 0.047 0.000 0.972 225 N HN 0.371 nan 8.380 nan 0.000 0.456 226 D N -1.087 119.336 120.400 0.039 0.000 3.059 226 D HA -0.162 4.479 4.640 0.002 0.000 0.208 226 D C -0.922 175.401 176.300 0.038 0.000 1.079 226 D CA 0.371 54.392 54.000 0.034 0.000 0.986 226 D CB -1.500 39.317 40.800 0.028 0.000 1.090 226 D HN 0.148 nan 8.370 nan 0.000 0.428 227 N N 0.482 119.210 118.700 0.047 0.000 2.513 227 N HA 0.301 5.042 4.740 0.002 0.000 0.268 227 N C -0.278 175.260 175.510 0.047 0.000 1.180 227 N CA 0.313 53.394 53.050 0.051 0.000 0.948 227 N CB 1.267 39.794 38.487 0.066 0.000 1.083 227 N HN 0.341 nan 8.380 nan 0.000 0.455 228 C N 3.625 122.948 119.300 0.038 0.000 2.608 228 C HA 0.727 5.188 4.460 0.002 0.000 0.325 228 C C -0.749 174.246 174.990 0.008 0.000 1.147 228 C CA -0.729 58.303 59.018 0.024 0.000 1.359 228 C CB -0.391 27.361 27.740 0.021 0.000 1.912 228 C HN 0.748 nan 8.230 nan 0.000 0.466 229 I N 3.347 123.904 120.570 -0.022 0.000 2.828 229 I HA 0.683 4.854 4.170 0.002 0.000 0.302 229 I C -1.042 175.010 176.117 -0.108 0.000 1.101 229 I CA -0.857 60.402 61.300 -0.068 0.000 1.031 229 I CB 1.607 39.541 38.000 -0.111 0.000 1.231 229 I HN 0.274 nan 8.210 nan 0.000 0.427 230 I N 4.697 125.203 120.570 -0.107 0.000 2.301 230 I HA 0.163 4.334 4.170 0.002 0.000 0.292 230 I C 1.024 177.019 176.117 -0.204 0.000 1.046 230 I CA -0.304 60.935 61.300 -0.102 0.000 1.282 230 I CB 1.289 39.276 38.000 -0.021 0.000 1.409 230 I HN 0.586 nan 8.210 nan 0.000 0.484 231 V N 5.358 125.104 119.914 -0.280 0.000 2.649 231 V HA -0.041 4.080 4.120 0.002 0.000 0.248 231 V C 0.728 176.685 176.094 -0.228 0.000 1.054 231 V CA 1.024 63.053 62.300 -0.450 0.000 1.073 231 V CB 0.410 31.835 31.823 -0.664 0.000 0.699 231 V HN 0.892 nan 8.190 nan 0.000 0.463 232 C N -0.427 118.809 119.300 -0.106 0.000 3.302 232 C HA 0.580 5.041 4.460 0.002 0.000 0.347 232 C C -0.511 174.504 174.990 0.042 0.000 1.218 232 C CA -0.437 58.572 59.018 -0.015 0.000 1.234 232 C CB 1.297 29.036 27.740 -0.002 0.000 1.551 232 C HN 0.446 nan 8.230 nan 0.000 0.501 233 S N 3.592 119.351 115.700 0.098 0.000 2.503 233 S HA 0.887 5.358 4.470 0.002 0.000 0.301 233 S C -1.088 173.606 174.600 0.156 0.000 1.087 233 S CA -0.591 57.694 58.200 0.141 0.000 1.042 233 S CB 1.309 64.655 63.200 0.243 0.000 1.043 233 S HN 0.703 nan 8.310 nan 0.000 0.489 234 I N 1.469 122.146 120.570 0.179 0.000 2.498 234 I HA 0.442 4.613 4.170 0.002 0.000 0.290 234 I C -0.352 175.882 176.117 0.194 0.000 1.032 234 I CA -0.434 60.963 61.300 0.161 0.000 1.073 234 I CB 2.144 40.211 38.000 0.112 0.000 1.251 234 I HN 0.804 nan 8.210 nan 0.000 0.426 235 E N 6.387 126.676 120.200 0.147 0.000 2.158 235 E HA 0.337 4.688 4.350 0.002 0.000 0.271 235 E C -0.943 175.654 176.600 -0.005 0.000 0.911 235 E CA -0.587 55.803 56.400 -0.016 0.000 0.767 235 E CB 1.064 30.832 29.700 0.113 0.000 1.120 235 E HN 0.557 nan 8.360 nan 0.000 0.405 236 N N 3.980 122.609 118.700 -0.118 0.000 2.529 236 N HA 0.089 4.830 4.740 0.002 0.000 0.278 236 N C 0.106 175.616 175.510 0.001 0.000 1.146 236 N CA -0.168 52.869 53.050 -0.021 0.000 0.980 236 N CB 0.771 39.245 38.487 -0.022 0.000 1.124 236 N HN 0.533 nan 8.380 nan 0.000 0.458 237 F N 1.621 121.440 119.950 -0.219 0.000 2.179 237 F HA 0.060 4.588 4.527 0.002 0.000 0.292 237 F C 0.535 176.248 175.800 -0.145 0.000 1.089 237 F CA 0.632 58.377 58.000 -0.426 0.000 1.295 237 F CB 0.350 39.030 39.000 -0.534 0.000 1.041 237 F HN 0.381 nan 8.300 nan 0.000 0.487 238 D N 1.802 122.311 120.400 0.181 0.000 2.350 238 D HA 0.298 4.939 4.640 0.002 0.000 0.249 238 D C 0.267 176.592 176.300 0.042 0.000 1.119 238 D CA 0.277 54.342 54.000 0.109 0.000 0.886 238 D CB 1.484 42.397 40.800 0.188 0.000 1.195 238 D HN 0.301 nan 8.370 nan 0.000 0.437 239 A N 2.873 125.706 122.820 0.022 0.000 2.292 239 A HA 0.232 4.553 4.320 0.002 0.000 0.265 239 A C 0.727 178.348 177.584 0.061 0.000 1.133 239 A CA -0.509 51.555 52.037 0.044 0.000 0.807 239 A CB 0.246 19.274 19.000 0.047 0.000 1.102 239 A HN 0.515 nan 8.150 nan 0.000 0.502 240 M N 0.039 119.691 119.600 0.087 0.000 2.240 240 M HA 0.203 4.684 4.480 0.002 0.000 0.346 240 M C 1.395 177.723 176.300 0.045 0.000 1.236 240 M CA 2.007 57.346 55.300 0.064 0.000 0.986 240 M CB -0.445 32.207 32.600 0.086 0.000 1.786 240 M HN 1.481 nan 8.290 nan 0.000 0.457 241 G N 3.603 112.421 108.800 0.030 0.000 2.316 241 G HA2 -0.148 3.813 3.960 0.002 0.000 0.203 241 G HA3 -0.148 3.813 3.960 0.002 0.000 0.203 241 G C 0.057 175.001 174.900 0.074 0.000 0.999 241 G CA -0.563 44.564 45.100 0.044 0.000 0.649 241 G HN 0.560 nan 8.290 nan 0.000 0.489 242 I N 2.324 122.944 120.570 0.084 0.000 2.410 242 I HA 0.321 4.492 4.170 0.002 0.000 0.286 242 I C 0.523 176.723 176.117 0.138 0.000 1.009 242 I CA -1.061 60.316 61.300 0.128 0.000 1.111 242 I CB 1.373 39.454 38.000 0.136 0.000 1.262 242 I HN 0.164 nan 8.210 nan 0.000 0.443 243 H N 5.112 124.231 119.070 0.082 0.000 3.092 243 H HA -0.086 4.471 4.556 0.002 0.000 0.332 243 H C 1.211 176.580 175.328 0.070 0.000 1.029 243 H CA 1.351 57.437 56.048 0.063 0.000 1.376 243 H CB 1.205 31.001 29.762 0.057 0.000 1.329 243 H HN 0.859 nan 8.280 nan 0.000 0.598 244 T N 0.816 115.290 114.554 -0.134 0.000 2.737 244 T HA -0.160 4.191 4.350 0.002 0.000 0.269 244 T C 2.134 176.969 174.700 0.226 0.000 1.040 244 T CA 1.237 63.356 62.100 0.032 0.000 1.142 244 T CB -0.649 68.175 68.868 -0.073 0.000 0.861 244 T HN 0.624 nan 8.240 nan 0.000 0.456 245 G N 0.811 109.952 108.800 0.570 0.000 2.448 245 G HA2 -0.048 3.913 3.960 0.002 0.000 0.218 245 G HA3 -0.048 3.913 3.960 0.002 0.000 0.218 245 G C 1.039 176.024 174.900 0.143 0.000 1.135 245 G CA 0.621 45.877 45.100 0.260 0.000 0.784 245 G HN 0.491 nan 8.290 nan 0.000 0.543 246 D N -0.114 120.429 120.400 0.239 0.000 2.368 246 D HA 0.262 4.903 4.640 0.002 0.000 0.218 246 D C 0.443 176.932 176.300 0.315 0.000 1.112 246 D CA 0.024 54.197 54.000 0.288 0.000 0.834 246 D CB 0.670 41.725 40.800 0.425 0.000 0.953 246 D HN 0.058 nan 8.370 nan 0.000 0.505 247 S N -0.198 115.626 115.700 0.207 0.000 2.638 247 S HA 0.480 4.951 4.470 0.002 0.000 0.298 247 S C 0.356 175.021 174.600 0.108 0.000 1.111 247 S CA -0.649 57.657 58.200 0.176 0.000 1.027 247 S CB 1.775 65.057 63.200 0.136 0.000 1.064 247 S HN 0.048 nan 8.310 nan 0.000 0.525 248 I N 2.715 123.337 120.570 0.086 0.000 2.441 248 I HA 0.241 4.412 4.170 0.002 0.000 0.287 248 I C 0.682 176.801 176.117 0.003 0.000 1.049 248 I CA 0.132 61.399 61.300 -0.055 0.000 1.381 248 I CB 0.914 38.698 38.000 -0.360 0.000 1.409 248 I HN 0.673 nan 8.210 nan 0.000 0.523 249 T N 3.916 118.461 114.554 -0.015 0.000 2.906 249 T HA 0.794 5.145 4.350 0.002 0.000 0.295 249 T C -0.551 174.171 174.700 0.037 0.000 1.075 249 T CA -0.739 61.376 62.100 0.025 0.000 1.005 249 T CB 1.980 70.872 68.868 0.041 0.000 1.136 249 T HN 0.451 nan 8.240 nan 0.000 0.498 250 V N -1.819 118.151 119.914 0.093 0.000 3.078 250 V HA 1.025 5.146 4.120 0.002 0.000 0.311 250 V C -0.732 175.446 176.094 0.141 0.000 1.138 250 V CA -1.109 61.273 62.300 0.137 0.000 1.007 250 V CB 1.232 33.202 31.823 0.245 0.000 1.045 250 V HN 1.624 nan 8.190 nan 0.000 0.432 251 A N 3.936 126.831 122.820 0.124 0.000 2.414 251 A HA 1.047 5.368 4.320 0.002 0.000 0.306 251 A C -2.946 174.688 177.584 0.082 0.000 1.054 251 A CA -1.793 50.306 52.037 0.102 0.000 0.724 251 A CB 2.003 21.050 19.000 0.078 0.000 1.267 251 A HN 0.803 nan 8.150 nan 0.000 0.418 252 P HA 0.476 nan 4.420 nan 0.000 0.293 252 P C 0.205 177.570 177.300 0.107 0.000 1.304 252 P CA -0.154 62.986 63.100 0.066 0.000 0.767 252 P CB 0.646 32.349 31.700 0.006 0.000 1.247 253 A N 0.402 123.323 122.820 0.168 0.000 2.536 253 A HA 0.037 4.358 4.320 0.002 0.000 0.234 253 A C 1.081 178.695 177.584 0.050 0.000 1.076 253 A CA 0.510 52.685 52.037 0.230 0.000 0.769 253 A CB -0.377 18.826 19.000 0.338 0.000 1.020 253 A HN 0.514 nan 8.150 nan 0.000 0.508 254 Q N -0.442 119.332 119.800 -0.045 0.000 2.404 254 Q HA 0.026 4.367 4.340 0.002 0.000 0.262 254 Q C 1.335 177.025 176.000 -0.516 0.000 0.846 254 Q CA 1.496 57.044 55.803 -0.425 0.000 0.978 254 Q CB 0.013 28.167 28.738 -0.974 0.000 1.156 254 Q HN 1.003 nan 8.270 nan 0.000 0.548 255 T N -1.571 112.799 114.554 -0.308 0.000 3.214 255 T HA 0.486 4.837 4.350 0.002 0.000 0.264 255 T C 0.474 175.109 174.700 -0.108 0.000 1.012 255 T CA -0.137 61.811 62.100 -0.253 0.000 0.901 255 T CB -0.344 68.398 68.868 -0.210 0.000 1.070 255 T HN -0.105 nan 8.240 nan 0.000 0.561 256 L N 2.593 123.757 121.223 -0.098 0.000 2.325 256 L HA 0.533 4.874 4.340 0.002 0.000 0.278 256 L C 0.883 177.696 176.870 -0.096 0.000 1.023 256 L CA -1.095 53.676 54.840 -0.114 0.000 0.811 256 L CB 1.785 43.744 42.059 -0.166 0.000 1.249 256 L HN 0.259 nan 8.230 nan 0.000 0.431 257 T N -2.831 111.669 114.554 -0.090 0.000 2.813 257 T HA 0.017 4.368 4.350 0.002 0.000 0.297 257 T C 0.711 175.378 174.700 -0.055 0.000 1.036 257 T CA -0.456 61.597 62.100 -0.078 0.000 1.044 257 T CB 1.128 69.954 68.868 -0.070 0.000 0.993 257 T HN 0.691 nan 8.240 nan 0.000 0.535 258 D N 0.132 120.494 120.400 -0.064 0.000 2.149 258 D HA -0.110 4.531 4.640 0.002 0.000 0.198 258 D C 1.975 178.270 176.300 -0.008 0.000 0.990 258 D CA 1.375 55.345 54.000 -0.050 0.000 0.839 258 D CB -0.042 40.714 40.800 -0.072 0.000 0.948 258 D HN 0.642 nan 8.370 nan 0.000 0.460 259 K N -0.013 120.368 120.400 -0.032 0.000 2.057 259 K HA -0.145 4.176 4.320 0.002 0.000 0.207 259 K C 2.150 178.721 176.600 -0.048 0.000 1.049 259 K CA 1.399 57.665 56.287 -0.034 0.000 0.931 259 K CB -0.075 32.400 32.500 -0.042 0.000 0.714 259 K HN 0.298 nan 8.250 nan 0.000 0.440 260 E N -0.142 120.017 120.200 -0.067 0.000 2.106 260 E HA -0.211 4.140 4.350 0.002 0.000 0.192 260 E C 1.833 178.339 176.600 -0.157 0.000 0.984 260 E CA 0.992 57.318 56.400 -0.123 0.000 0.806 260 E CB -0.200 29.406 29.700 -0.156 0.000 0.750 260 E HN 0.307 nan 8.360 nan 0.000 0.458 261 Y N 1.989 122.155 120.300 -0.224 0.000 2.207 261 Y HA -0.258 4.293 4.550 0.002 0.000 0.287 261 Y C 2.196 177.978 175.900 -0.197 0.000 1.156 261 Y CA 1.514 59.473 58.100 -0.235 0.000 1.182 261 Y CB 0.143 38.492 38.460 -0.185 0.000 0.979 261 Y HN -0.038 nan 8.280 nan 0.000 0.521 262 Q N 0.185 120.018 119.800 0.055 0.000 2.079 262 Q HA -0.129 4.212 4.340 0.002 0.000 0.200 262 Q C 2.466 178.399 176.000 -0.112 0.000 0.974 262 Q CA 1.793 57.599 55.803 0.004 0.000 0.840 262 Q CB -0.514 28.239 28.738 0.024 0.000 0.898 262 Q HN 0.606 nan 8.270 nan 0.000 0.430 263 I N 0.378 120.866 120.570 -0.138 0.000 2.208 263 I HA -0.284 3.887 4.170 0.002 0.000 0.245 263 I C 2.527 178.491 176.117 -0.255 0.000 1.097 263 I CA 1.146 62.352 61.300 -0.157 0.000 1.363 263 I CB -0.253 37.662 38.000 -0.141 0.000 1.051 263 I HN 0.204 nan 8.210 nan 0.000 0.413 264 M N 0.441 119.787 119.600 -0.425 0.000 2.132 264 M HA -0.213 4.268 4.480 0.002 0.000 0.263 264 M C 2.536 178.508 176.300 -0.546 0.000 1.065 264 M CA 1.595 56.469 55.300 -0.710 0.000 1.122 264 M CB -0.134 31.907 32.600 -0.931 0.000 1.365 264 M HN 0.072 nan 8.290 nan 0.000 0.411 265 R N 0.193 120.417 120.500 -0.460 0.000 2.081 265 R HA -0.155 4.186 4.340 0.002 0.000 0.235 265 R C 1.520 177.742 176.300 -0.131 0.000 1.131 265 R CA 2.358 58.285 56.100 -0.288 0.000 0.960 265 R CB -0.431 29.760 30.300 -0.181 0.000 0.856 265 R HN 0.556 nan 8.270 nan 0.000 0.436 266 N N -0.054 118.578 118.700 -0.113 0.000 2.142 266 N HA -0.137 4.604 4.740 0.002 0.000 0.186 266 N C 1.828 177.328 175.510 -0.016 0.000 1.023 266 N CA 1.000 54.020 53.050 -0.050 0.000 0.852 266 N CB -0.153 38.308 38.487 -0.044 0.000 0.998 266 N HN 0.300 nan 8.380 nan 0.000 0.424 267 A N 0.847 123.653 122.820 -0.023 0.000 1.908 267 A HA -0.149 4.172 4.320 0.002 0.000 0.218 267 A C 2.341 180.038 177.584 0.188 0.000 1.181 267 A CA 1.596 53.687 52.037 0.090 0.000 0.627 267 A CB -0.672 18.416 19.000 0.148 0.000 0.818 267 A HN 0.194 nan 8.150 nan 0.000 0.445 268 S N -0.434 115.399 115.700 0.222 0.000 2.370 268 S HA -0.186 4.285 4.470 0.002 0.000 0.226 268 S C 2.037 176.702 174.600 0.109 0.000 1.033 268 S CA 1.869 60.213 58.200 0.241 0.000 1.011 268 S CB -0.402 62.905 63.200 0.178 0.000 0.852 268 S HN 0.583 nan 8.310 nan 0.000 0.457 269 M N 0.942 120.576 119.600 0.058 0.000 2.132 269 M HA -0.060 4.421 4.480 0.002 0.000 0.263 269 M C 2.550 178.872 176.300 0.037 0.000 1.065 269 M CA 1.330 56.652 55.300 0.036 0.000 1.122 269 M CB -0.578 32.033 32.600 0.018 0.000 1.365 269 M HN 0.400 nan 8.290 nan 0.000 0.411 270 A N -0.001 122.841 122.820 0.038 0.000 1.940 270 A HA -0.127 4.194 4.320 0.002 0.000 0.219 270 A C 2.203 179.801 177.584 0.023 0.000 1.176 270 A CA 1.766 53.818 52.037 0.025 0.000 0.631 270 A CB -1.047 17.964 19.000 0.018 0.000 0.814 270 A HN 0.318 nan 8.150 nan 0.000 0.446 271 V N -0.567 119.374 119.914 0.044 0.000 2.343 271 V HA -0.235 3.886 4.120 0.002 0.000 0.247 271 V C 2.492 178.615 176.094 0.048 0.000 1.051 271 V CA 1.927 64.250 62.300 0.039 0.000 1.036 271 V CB -0.762 31.111 31.823 0.083 0.000 0.654 271 V HN 0.488 nan 8.190 nan 0.000 0.451 272 L N -0.463 120.790 121.223 0.051 0.000 2.083 272 L HA -0.107 4.234 4.340 0.002 0.000 0.209 272 L C 2.589 179.479 176.870 0.032 0.000 1.083 272 L CA 1.802 56.669 54.840 0.045 0.000 0.752 272 L CB -0.687 41.395 42.059 0.039 0.000 0.899 272 L HN 0.202 nan 8.230 nan 0.000 0.433 273 R N -0.846 119.669 120.500 0.025 0.000 2.073 273 R HA -0.200 4.141 4.340 0.002 0.000 0.234 273 R C 2.222 178.527 176.300 0.009 0.000 1.134 273 R CA 1.385 57.496 56.100 0.017 0.000 0.952 273 R CB -0.267 30.042 30.300 0.014 0.000 0.850 273 R HN 0.222 nan 8.270 nan 0.000 0.433 274 E N 0.905 121.105 120.200 0.000 0.000 2.072 274 E HA -0.135 4.216 4.350 0.002 0.000 0.191 274 E C 1.664 178.260 176.600 -0.007 0.000 0.985 274 E CA 1.136 57.526 56.400 -0.016 0.000 0.801 274 E CB -0.067 29.604 29.700 -0.049 0.000 0.750 274 E HN 0.064 nan 8.360 nan 0.000 0.452 275 I N -0.177 120.401 120.570 0.013 0.000 2.252 275 I HA 0.043 4.214 4.170 0.002 0.000 0.245 275 I C 1.834 177.970 176.117 0.031 0.000 1.102 275 I CA 1.660 62.982 61.300 0.037 0.000 1.385 275 I CB -0.841 37.209 38.000 0.083 0.000 1.064 275 I HN 0.400 nan 8.210 nan 0.000 0.414 276 G N -0.384 108.432 108.800 0.027 0.000 2.148 276 G HA2 -0.153 3.808 3.960 0.002 0.000 0.157 276 G HA3 -0.153 3.808 3.960 0.002 0.000 0.157 276 G C 0.152 175.067 174.900 0.026 0.000 1.012 276 G CA -0.025 45.090 45.100 0.024 0.000 0.677 276 G HN 0.119 nan 8.290 nan 0.000 0.506 277 V N 1.010 120.942 119.914 0.029 0.000 2.415 277 V HA 0.311 4.432 4.120 0.002 0.000 0.267 277 V C 1.171 177.283 176.094 0.030 0.000 1.042 277 V CA 0.792 63.109 62.300 0.029 0.000 1.000 277 V CB 1.189 33.030 31.823 0.031 0.000 1.015 277 V HN 0.482 nan 8.190 nan 0.000 0.478 278 E N 2.240 122.457 120.200 0.029 0.000 2.465 278 E HA 0.064 4.415 4.350 0.002 0.000 0.209 278 E C 0.493 177.115 176.600 0.037 0.000 0.951 278 E CA 0.525 56.943 56.400 0.031 0.000 0.997 278 E CB 0.838 30.554 29.700 0.027 0.000 1.025 278 E HN 0.822 nan 8.360 nan 0.000 0.500 279 T N -1.019 113.558 114.554 0.038 0.000 3.418 279 T HA 0.656 5.006 4.350 0.002 0.000 0.315 279 T C -0.012 174.717 174.700 0.049 0.000 1.447 279 T CA -0.389 61.739 62.100 0.047 0.000 1.641 279 T CB 1.034 69.926 68.868 0.040 0.000 0.904 279 T HN 0.158 nan 8.240 nan 0.000 0.640 280 G N 0.084 108.916 108.800 0.054 0.000 2.323 280 G HA2 0.611 4.572 3.960 0.002 0.000 0.291 280 G HA3 0.611 4.572 3.960 0.002 0.000 0.291 280 G C -0.618 174.315 174.900 0.054 0.000 1.278 280 G CA -0.232 44.902 45.100 0.057 0.000 0.860 280 G HN 0.720 nan 8.290 nan 0.000 0.504 281 G N -1.160 107.673 108.800 0.055 0.000 2.509 281 G HA2 0.753 4.714 3.960 0.002 0.000 0.328 281 G HA3 0.753 4.714 3.960 0.002 0.000 0.328 281 G C -0.584 174.338 174.900 0.037 0.000 1.194 281 G CA 0.212 45.338 45.100 0.043 0.000 0.967 281 G HN 1.372 nan 8.290 nan 0.000 0.488 282 S N -0.776 114.940 115.700 0.027 0.000 2.552 282 S HA 0.339 4.810 4.470 0.002 0.000 0.272 282 S C -1.095 173.515 174.600 0.016 0.000 1.150 282 S CA -0.945 57.267 58.200 0.021 0.000 0.849 282 S CB 1.847 65.058 63.200 0.017 0.000 1.113 282 S HN 0.793 nan 8.310 nan 0.000 0.458 283 N N 1.247 119.951 118.700 0.007 0.000 2.400 283 N HA 0.566 5.307 4.740 0.002 0.000 0.288 283 N C -1.544 173.945 175.510 -0.034 0.000 1.024 283 N CA -0.245 52.806 53.050 0.002 0.000 0.894 283 N CB 1.266 39.756 38.487 0.006 0.000 1.173 283 N HN 0.385 nan 8.380 nan 0.000 0.487 284 V N 3.033 122.931 119.914 -0.026 0.000 2.531 284 V HA 0.342 4.463 4.120 0.002 0.000 0.301 284 V C -0.246 175.716 176.094 -0.220 0.000 1.034 284 V CA -0.778 61.441 62.300 -0.134 0.000 0.865 284 V CB 1.621 33.397 31.823 -0.078 0.000 0.995 284 V HN 0.661 nan 8.190 nan 0.000 0.424 285 Q N 2.886 122.455 119.800 -0.385 0.000 2.266 285 Q HA 0.776 5.117 4.340 0.002 0.000 0.261 285 Q C -1.605 174.071 176.000 -0.539 0.000 0.985 285 Q CA -0.376 55.261 55.803 -0.277 0.000 0.873 285 Q CB 2.574 31.203 28.738 -0.182 0.000 1.306 285 Q HN 0.661 nan 8.270 nan 0.000 0.447 286 F N -0.272 119.735 119.950 0.095 0.000 2.650 286 F HA 0.758 5.286 4.527 0.002 0.000 0.320 286 F C -0.555 175.359 175.800 0.190 0.000 1.091 286 F CA -1.067 57.012 58.000 0.132 0.000 0.962 286 F CB 1.743 40.816 39.000 0.123 0.000 1.363 286 F HN 0.504 nan 8.300 nan 0.000 0.482 287 A N 0.985 124.074 122.820 0.449 0.000 2.371 287 A HA 0.845 5.166 4.320 0.002 0.000 0.311 287 A C -1.790 176.146 177.584 0.586 0.000 1.068 287 A CA -0.707 51.617 52.037 0.478 0.000 0.744 287 A CB 1.481 20.711 19.000 0.384 0.000 1.239 287 A HN 0.523 nan 8.150 nan 0.000 0.435 288 V N 2.800 123.034 119.914 0.533 0.000 2.588 288 V HA 0.325 4.446 4.120 0.002 0.000 0.304 288 V C -0.418 175.609 176.094 -0.112 0.000 1.042 288 V CA -0.926 61.520 62.300 0.244 0.000 0.877 288 V CB 1.967 33.905 31.823 0.192 0.000 0.996 288 V HN 0.909 nan 8.190 nan 0.000 0.425 289 N N 7.198 125.451 118.700 -0.746 0.000 2.401 289 N HA 0.261 5.002 4.740 0.002 0.000 0.255 289 N C -1.375 173.834 175.510 -0.502 0.000 1.110 289 N CA -1.971 50.326 53.050 -1.254 0.000 0.949 289 N CB 1.886 39.450 38.487 -1.540 0.000 1.110 289 N HN 0.296 nan 8.380 nan 0.000 0.490 290 P HA -0.139 nan 4.420 nan 0.000 0.219 290 P C 0.593 177.814 177.300 -0.131 0.000 1.146 290 P CA 1.316 64.346 63.100 -0.117 0.000 0.808 290 P CB 0.499 32.198 31.700 -0.002 0.000 0.779 291 K N -0.172 120.124 120.400 -0.172 0.000 2.155 291 K HA -0.075 4.246 4.320 0.002 0.000 0.203 291 K C 1.053 177.578 176.600 -0.124 0.000 1.052 291 K CA 1.538 57.751 56.287 -0.124 0.000 0.948 291 K CB -0.143 32.295 32.500 -0.102 0.000 0.728 291 K HN 0.289 nan 8.250 nan 0.000 0.448 292 N N -2.617 115.981 118.700 -0.169 0.000 2.081 292 N HA 0.094 4.835 4.740 0.002 0.000 0.230 292 N C 0.605 176.036 175.510 -0.132 0.000 1.351 292 N CA 0.354 53.328 53.050 -0.128 0.000 0.840 292 N CB 0.827 39.250 38.487 -0.108 0.000 1.189 292 N HN 0.072 nan 8.380 nan 0.000 0.503 293 G N 1.003 109.704 108.800 -0.165 0.000 2.184 293 G HA2 -0.403 3.558 3.960 0.002 0.000 0.264 293 G HA3 -0.403 3.558 3.960 0.002 0.000 0.264 293 G C 0.033 174.859 174.900 -0.124 0.000 0.975 293 G CA 0.262 45.279 45.100 -0.138 0.000 0.642 293 G HN 0.652 nan 8.290 nan 0.000 0.536 294 R N 0.051 120.460 120.500 -0.151 0.000 2.486 294 R HA 0.284 4.625 4.340 0.002 0.000 0.303 294 R C -0.002 176.313 176.300 0.025 0.000 0.958 294 R CA -0.159 55.902 56.100 -0.065 0.000 1.077 294 R CB -0.023 30.241 30.300 -0.060 0.000 0.921 294 R HN 0.363 nan 8.270 nan 0.000 0.406 295 L N 6.777 128.054 121.223 0.089 0.000 2.282 295 L HA 0.457 4.798 4.340 0.002 0.000 0.288 295 L C -0.789 176.244 176.870 0.271 0.000 1.033 295 L CA -0.169 54.770 54.840 0.165 0.000 0.807 295 L CB 1.210 43.293 42.059 0.040 0.000 1.209 295 L HN 0.581 nan 8.230 nan 0.000 0.423 296 I N 5.645 126.439 120.570 0.372 0.000 2.436 296 I HA 0.312 4.483 4.170 0.002 0.000 0.289 296 I C -0.671 175.618 176.117 0.288 0.000 1.010 296 I CA -1.029 60.449 61.300 0.298 0.000 1.098 296 I CB 2.073 40.222 38.000 0.248 0.000 1.266 296 I HN 0.240 nan 8.210 nan 0.000 0.434 297 V N 6.616 126.646 119.914 0.194 0.000 2.508 297 V HA 0.134 4.255 4.120 0.002 0.000 0.281 297 V C 1.048 177.159 176.094 0.027 0.000 1.041 297 V CA -0.072 62.244 62.300 0.028 0.000 1.016 297 V CB 1.345 33.184 31.823 0.026 0.000 0.984 297 V HN 0.590 nan 8.190 nan 0.000 0.478 298 I N 2.824 123.343 120.570 -0.085 0.000 2.729 298 I HA 0.228 4.399 4.170 0.002 0.000 0.256 298 I C 0.943 176.973 176.117 -0.145 0.000 1.115 298 I CA 0.910 62.168 61.300 -0.069 0.000 1.446 298 I CB -0.048 37.893 38.000 -0.098 0.000 1.176 298 I HN 0.990 nan 8.210 nan 0.000 0.446 299 E N 1.004 121.023 120.200 -0.302 0.000 2.432 299 E HA 0.497 4.848 4.350 0.002 0.000 0.279 299 E C -0.908 175.353 176.600 -0.565 0.000 1.099 299 E CA -0.906 55.101 56.400 -0.654 0.000 0.859 299 E CB 1.768 31.163 29.700 -0.509 0.000 1.402 299 E HN 0.025 nan 8.360 nan 0.000 0.451 300 M N 0.945 120.118 119.600 -0.713 0.000 2.371 300 M HA 0.584 5.065 4.480 0.002 0.000 0.287 300 M C -2.140 173.991 176.300 -0.280 0.000 1.149 300 M CA -0.455 54.640 55.300 -0.343 0.000 0.929 300 M CB 2.413 34.953 32.600 -0.101 0.000 1.683 300 M HN 0.375 nan 8.290 nan 0.000 0.470 301 N N 4.356 122.964 118.700 -0.154 0.000 2.476 301 N HA 0.407 5.148 4.740 0.002 0.000 0.257 301 N C -2.633 172.846 175.510 -0.050 0.000 0.970 301 N CA -1.213 51.774 53.050 -0.105 0.000 0.938 301 N CB 1.776 40.227 38.487 -0.060 0.000 1.144 301 N HN 0.550 nan 8.380 nan 0.000 0.500 302 P HA 0.082 nan 4.420 nan 0.000 0.228 302 P C -0.466 176.835 177.300 0.001 0.000 1.748 302 P CA 0.246 63.335 63.100 -0.018 0.000 0.909 302 P CB -0.195 31.489 31.700 -0.026 0.000 1.882 303 R N -2.142 118.370 120.500 0.021 0.000 2.888 303 R HA 0.456 4.797 4.340 0.002 0.000 0.277 303 R C -0.673 175.681 176.300 0.090 0.000 0.981 303 R CA -1.089 55.038 56.100 0.047 0.000 0.841 303 R CB -0.173 30.145 30.300 0.031 0.000 1.405 303 R HN -0.153 nan 8.270 nan 0.000 0.472 304 V N -0.405 119.592 119.914 0.138 0.000 3.319 304 V HA 0.754 4.875 4.120 0.002 0.000 0.303 304 V C 0.192 176.455 176.094 0.281 0.000 1.094 304 V CA 0.367 62.778 62.300 0.184 0.000 1.106 304 V CB 1.116 33.056 31.823 0.195 0.000 1.099 304 V HN 1.050 nan 8.190 nan 0.000 0.476 305 S N 1.295 117.126 115.700 0.218 0.000 2.843 305 S HA 0.461 4.932 4.470 0.002 0.000 0.301 305 S C 0.683 175.278 174.600 -0.008 0.000 1.206 305 S CA -0.478 57.845 58.200 0.205 0.000 0.875 305 S CB 1.495 64.778 63.200 0.138 0.000 1.248 305 S HN 1.079 nan 8.310 nan 0.000 0.555 306 R N 0.331 120.813 120.500 -0.030 0.000 2.148 306 R HA 0.132 4.473 4.340 0.002 0.000 0.223 306 R C 1.505 177.790 176.300 -0.025 0.000 1.088 306 R CA 1.646 57.688 56.100 -0.097 0.000 0.985 306 R CB -0.826 29.432 30.300 -0.070 0.000 0.880 306 R HN 0.414 nan 8.270 nan 0.000 0.451 307 S N 1.069 116.783 115.700 0.024 0.000 2.428 307 S HA -0.098 4.373 4.470 0.002 0.000 0.230 307 S C 1.955 176.583 174.600 0.046 0.000 1.014 307 S CA 1.200 59.422 58.200 0.037 0.000 0.957 307 S CB 0.057 63.285 63.200 0.046 0.000 0.784 307 S HN 0.644 nan 8.310 nan 0.000 0.499 308 S N 1.881 117.617 115.700 0.061 0.000 2.428 308 S HA 0.108 4.579 4.470 0.002 0.000 0.230 308 S C 1.946 176.622 174.600 0.127 0.000 1.014 308 S CA 0.784 59.038 58.200 0.090 0.000 0.957 308 S CB -0.315 62.945 63.200 0.101 0.000 0.784 308 S HN 0.445 nan 8.310 nan 0.000 0.499 309 A N 1.907 124.786 122.820 0.097 0.000 1.872 309 A HA 0.179 4.500 4.320 0.002 0.000 0.214 309 A C 2.214 179.801 177.584 0.005 0.000 1.187 309 A CA 1.371 53.458 52.037 0.083 0.000 0.614 309 A CB -0.983 17.997 19.000 -0.033 0.000 0.826 309 A HN 0.569 nan 8.150 nan 0.000 0.442 310 L N 0.071 121.294 121.223 -0.000 0.000 2.012 310 L HA -0.112 4.229 4.340 0.002 0.000 0.210 310 L C 2.629 179.518 176.870 0.031 0.000 1.073 310 L CA 2.443 57.283 54.840 0.001 0.000 0.748 310 L CB -0.809 41.256 42.059 0.009 0.000 0.891 310 L HN 0.339 nan 8.230 nan 0.000 0.431 311 A N -1.252 121.601 122.820 0.055 0.000 1.908 311 A HA -0.216 4.105 4.320 0.002 0.000 0.218 311 A C 2.360 180.018 177.584 0.124 0.000 1.181 311 A CA 2.160 54.240 52.037 0.073 0.000 0.627 311 A CB -1.024 18.009 19.000 0.054 0.000 0.818 311 A HN 0.593 nan 8.150 nan 0.000 0.445 312 S N -0.141 115.662 115.700 0.171 0.000 2.383 312 S HA -0.107 4.364 4.470 0.002 0.000 0.227 312 S C 1.959 176.726 174.600 0.279 0.000 1.026 312 S CA 1.326 59.692 58.200 0.277 0.000 0.981 312 S CB -0.144 63.280 63.200 0.373 0.000 0.818 312 S HN 0.505 nan 8.310 nan 0.000 0.472 313 K N 1.956 122.452 120.400 0.159 0.000 2.062 313 K HA 0.186 4.507 4.320 0.002 0.000 0.205 313 K C 2.347 179.012 176.600 0.108 0.000 1.051 313 K CA 1.135 57.505 56.287 0.139 0.000 0.941 313 K CB -0.861 31.607 32.500 -0.053 0.000 0.719 313 K HN 0.352 nan 8.250 nan 0.000 0.440 314 A N 1.330 124.180 122.820 0.051 0.000 1.902 314 A HA -0.157 4.164 4.320 0.002 0.000 0.217 314 A C 2.266 179.959 177.584 0.182 0.000 1.181 314 A CA 2.637 54.711 52.037 0.062 0.000 0.623 314 A CB -0.761 18.280 19.000 0.069 0.000 0.818 314 A HN 0.505 nan 8.150 nan 0.000 0.443 315 T N -5.744 108.933 114.554 0.205 0.000 3.015 315 T HA 0.429 4.780 4.350 0.002 0.000 0.250 315 T C 1.444 176.334 174.700 0.316 0.000 1.057 315 T CA 1.115 63.360 62.100 0.241 0.000 1.066 315 T CB 0.363 69.350 68.868 0.199 0.000 0.959 315 T HN 1.741 nan 8.240 nan 0.000 0.488 316 G N 1.156 110.194 108.800 0.397 0.000 2.157 316 G HA2 -0.197 3.764 3.960 0.002 0.000 0.239 316 G HA3 -0.197 3.764 3.960 0.002 0.000 0.239 316 G C -0.231 174.969 174.900 0.500 0.000 0.982 316 G CA -0.067 45.324 45.100 0.485 0.000 0.650 316 G HN 0.612 nan 8.290 nan 0.000 0.527 317 F N 3.446 123.580 119.950 0.307 0.000 2.350 317 F HA 0.597 5.125 4.527 0.002 0.000 0.365 317 F C -1.968 173.982 175.800 0.250 0.000 1.122 317 F CA -3.412 54.744 58.000 0.259 0.000 1.139 317 F CB 1.549 40.640 39.000 0.150 0.000 1.220 317 F HN -0.082 nan 8.300 nan 0.000 0.499 318 P HA 0.105 nan 4.420 nan 0.000 0.249 318 P C 1.274 178.750 177.300 0.293 0.000 1.737 318 P CA 0.419 63.687 63.100 0.280 0.000 1.128 318 P CB -0.213 31.568 31.700 0.135 0.000 1.942 319 I N 1.508 122.341 120.570 0.438 0.000 2.113 319 I HA -0.357 3.814 4.170 0.002 0.000 0.242 319 I C 2.281 178.514 176.117 0.193 0.000 1.064 319 I CA 2.083 63.600 61.300 0.361 0.000 1.320 319 I CB -0.783 37.359 38.000 0.237 0.000 1.028 319 I HN 0.192 nan 8.210 nan 0.000 0.406 320 A N 0.220 123.096 122.820 0.093 0.000 1.930 320 A HA -0.203 4.118 4.320 0.002 0.000 0.217 320 A C 2.341 179.924 177.584 -0.002 0.000 1.175 320 A CA 1.558 53.606 52.037 0.018 0.000 0.627 320 A CB -0.415 18.536 19.000 -0.080 0.000 0.815 320 A HN 0.315 nan 8.150 nan 0.000 0.443 321 K N -0.516 119.872 120.400 -0.021 0.000 2.026 321 K HA -0.072 4.249 4.320 0.002 0.000 0.208 321 K C 1.901 178.504 176.600 0.005 0.000 1.048 321 K CA 1.454 57.724 56.287 -0.028 0.000 0.929 321 K CB -0.315 32.160 32.500 -0.042 0.000 0.713 321 K HN 0.254 nan 8.250 nan 0.000 0.439 322 V N 1.184 121.122 119.914 0.040 0.000 2.287 322 V HA -0.307 3.814 4.120 0.002 0.000 0.248 322 V C 2.295 178.441 176.094 0.088 0.000 1.053 322 V CA 2.132 64.469 62.300 0.062 0.000 1.027 322 V CB -0.719 31.185 31.823 0.135 0.000 0.646 322 V HN 0.435 nan 8.190 nan 0.000 0.447 323 A N -0.082 122.800 122.820 0.104 0.000 1.908 323 A HA -0.200 4.121 4.320 0.002 0.000 0.218 323 A C 2.429 180.048 177.584 0.058 0.000 1.181 323 A CA 2.380 54.468 52.037 0.086 0.000 0.627 323 A CB -0.881 18.168 19.000 0.082 0.000 0.818 323 A HN 0.619 nan 8.150 nan 0.000 0.445 324 A N -0.317 122.524 122.820 0.036 0.000 1.933 324 A HA -0.178 4.143 4.320 0.002 0.000 0.218 324 A C 2.119 179.724 177.584 0.036 0.000 1.175 324 A CA 1.826 53.872 52.037 0.015 0.000 0.628 324 A CB -0.418 18.581 19.000 -0.002 0.000 0.814 324 A HN 0.575 nan 8.150 nan 0.000 0.444 325 K N -0.899 119.541 120.400 0.065 0.000 2.057 325 K HA -0.066 4.255 4.320 0.002 0.000 0.206 325 K C 1.727 178.484 176.600 0.262 0.000 1.050 325 K CA 1.146 57.529 56.287 0.159 0.000 0.935 325 K CB -0.356 32.133 32.500 -0.017 0.000 0.715 325 K HN 0.295 nan 8.250 nan 0.000 0.439 326 L N 1.049 122.370 121.223 0.163 0.000 2.083 326 L HA -0.127 4.214 4.340 0.002 0.000 0.209 326 L C 2.334 179.265 176.870 0.102 0.000 1.083 326 L CA 1.569 56.502 54.840 0.155 0.000 0.752 326 L CB -1.016 41.111 42.059 0.115 0.000 0.899 326 L HN 0.147 nan 8.230 nan 0.000 0.433 327 A N -0.724 122.134 122.820 0.064 0.000 2.125 327 A HA -0.088 4.233 4.320 0.002 0.000 0.219 327 A C 1.746 179.318 177.584 -0.020 0.000 1.156 327 A CA 1.444 53.489 52.037 0.015 0.000 0.671 327 A CB -0.730 18.265 19.000 -0.009 0.000 0.794 327 A HN 0.329 nan 8.150 nan 0.000 0.459 328 V N -4.370 115.542 119.914 -0.003 0.000 3.249 328 V HA 0.605 4.726 4.120 0.002 0.000 0.338 328 V C 1.097 177.153 176.094 -0.063 0.000 1.363 328 V CA 0.517 62.777 62.300 -0.066 0.000 1.205 328 V CB -0.875 30.817 31.823 -0.218 0.000 1.164 328 V HN 1.276 nan 8.190 nan 0.000 0.458 329 G N -0.488 108.297 108.800 -0.026 0.000 2.234 329 G HA2 -0.303 3.658 3.960 0.002 0.000 0.235 329 G HA3 -0.303 3.658 3.960 0.002 0.000 0.235 329 G C -0.014 174.842 174.900 -0.074 0.000 0.997 329 G CA 0.190 45.247 45.100 -0.073 0.000 0.623 329 G HN 0.597 nan 8.290 nan 0.000 0.514 330 Y N 2.284 122.615 120.300 0.050 0.000 2.426 330 Y HA 0.414 4.965 4.550 0.002 0.000 0.344 330 Y C 1.569 177.499 175.900 0.049 0.000 1.256 330 Y CA 0.908 59.039 58.100 0.052 0.000 1.451 330 Y CB 0.771 39.264 38.460 0.054 0.000 1.342 330 Y HN 0.300 nan 8.280 nan 0.000 0.600 331 T N -1.175 113.538 114.554 0.264 0.000 2.940 331 T HA 0.370 4.721 4.350 0.002 0.000 0.288 331 T C 0.790 175.582 174.700 0.153 0.000 1.033 331 T CA -0.938 61.262 62.100 0.166 0.000 1.033 331 T CB 1.125 70.063 68.868 0.118 0.000 1.079 331 T HN 0.635 nan 8.240 nan 0.000 0.496 332 L N 0.952 122.253 121.223 0.131 0.000 2.043 332 L HA -0.130 4.211 4.340 0.002 0.000 0.212 332 L C 2.597 179.535 176.870 0.114 0.000 1.075 332 L CA 1.924 56.843 54.840 0.132 0.000 0.752 332 L CB -0.688 41.463 42.059 0.154 0.000 0.891 332 L HN 0.833 nan 8.230 nan 0.000 0.432 333 D N -0.263 120.200 120.400 0.105 0.000 2.218 333 D HA -0.229 4.412 4.640 0.002 0.000 0.204 333 D C 1.629 177.970 176.300 0.068 0.000 0.976 333 D CA 1.258 55.308 54.000 0.084 0.000 0.853 333 D CB -0.353 40.492 40.800 0.075 0.000 0.939 333 D HN 0.467 nan 8.370 nan 0.000 0.481 334 E N -0.193 120.061 120.200 0.089 0.000 2.230 334 E HA 0.113 4.464 4.350 0.002 0.000 0.192 334 E C 0.569 177.182 176.600 0.022 0.000 0.987 334 E CA 0.073 56.528 56.400 0.091 0.000 0.841 334 E CB 0.222 30.041 29.700 0.198 0.000 0.783 334 E HN 0.330 nan 8.360 nan 0.000 0.481 335 L N 1.199 122.416 121.223 -0.010 0.000 2.379 335 L HA 0.267 4.608 4.340 0.002 0.000 0.269 335 L C 0.243 177.077 176.870 -0.059 0.000 1.084 335 L CA -0.756 54.032 54.840 -0.087 0.000 0.802 335 L CB 0.629 42.616 42.059 -0.121 0.000 1.175 335 L HN -0.001 nan 8.230 nan 0.000 0.448 336 M N 1.580 121.128 119.600 -0.086 0.000 2.444 336 M HA 0.228 4.709 4.480 0.002 0.000 0.319 336 M C -0.273 175.964 176.300 -0.105 0.000 1.183 336 M CA -0.695 54.552 55.300 -0.088 0.000 1.032 336 M CB 0.872 33.420 32.600 -0.086 0.000 1.569 336 M HN 0.414 nan 8.290 nan 0.000 0.468 337 N N 1.474 120.098 118.700 -0.128 0.000 2.411 337 N HA 0.049 4.790 4.740 0.002 0.000 0.259 337 N C 0.393 175.833 175.510 -0.116 0.000 1.103 337 N CA 0.217 53.188 53.050 -0.131 0.000 0.954 337 N CB 0.542 38.919 38.487 -0.183 0.000 1.085 337 N HN 0.397 nan 8.380 nan 0.000 0.485 338 D N 2.708 123.057 120.400 -0.085 0.000 2.127 338 D HA -0.233 4.408 4.640 0.002 0.000 0.190 338 D C 1.726 177.958 176.300 -0.114 0.000 1.000 338 D CA 1.772 55.743 54.000 -0.047 0.000 0.839 338 D CB -0.152 40.697 40.800 0.081 0.000 0.955 338 D HN 0.803 nan 8.370 nan 0.000 0.446 339 I N -0.918 119.548 120.570 -0.173 0.000 2.676 339 I HA -0.092 4.079 4.170 0.002 0.000 0.259 339 I C 1.364 177.413 176.117 -0.112 0.000 1.194 339 I CA 1.417 62.590 61.300 -0.213 0.000 1.473 339 I CB -0.571 37.241 38.000 -0.314 0.000 1.096 339 I HN -0.094 nan 8.210 nan 0.000 0.443 340 T N -1.538 112.954 114.554 -0.104 0.000 3.272 340 T HA 0.447 4.798 4.350 0.002 0.000 0.250 340 T C 1.393 176.036 174.700 -0.094 0.000 1.082 340 T CA 0.164 62.207 62.100 -0.095 0.000 0.968 340 T CB -0.240 68.532 68.868 -0.160 0.000 1.015 340 T HN 0.742 nan 8.240 nan 0.000 0.563 341 G N 0.664 109.415 108.800 -0.083 0.000 2.147 341 G HA2 0.057 4.018 3.960 0.002 0.000 0.244 341 G HA3 0.057 4.018 3.960 0.002 0.000 0.244 341 G C 1.067 175.923 174.900 -0.073 0.000 1.005 341 G CA 0.202 45.263 45.100 -0.064 0.000 0.713 341 G HN 1.739 nan 8.290 nan 0.000 0.515 342 G N -1.150 107.593 108.800 -0.095 0.000 2.189 342 G HA2 -0.328 3.633 3.960 0.002 0.000 0.267 342 G HA3 -0.328 3.633 3.960 0.002 0.000 0.267 342 G C 1.238 176.064 174.900 -0.123 0.000 0.975 342 G CA 1.134 46.175 45.100 -0.098 0.000 0.644 342 G HN 1.016 nan 8.290 nan 0.000 0.537 343 R N 0.658 121.069 120.500 -0.147 0.000 2.096 343 R HA 0.115 4.456 4.340 0.002 0.000 0.235 343 R C 2.074 178.216 176.300 -0.263 0.000 1.127 343 R CA 1.807 57.801 56.100 -0.177 0.000 0.968 343 R CB -0.616 29.587 30.300 -0.161 0.000 0.861 343 R HN 0.796 nan 8.270 nan 0.000 0.440 344 T N -1.980 112.361 114.554 -0.355 0.000 2.950 344 T HA 0.584 4.935 4.350 0.002 0.000 0.288 344 T C -2.691 171.846 174.700 -0.271 0.000 1.035 344 T CA -2.568 59.281 62.100 -0.419 0.000 1.028 344 T CB 2.630 71.043 68.868 -0.757 0.000 1.109 344 T HN -0.187 nan 8.240 nan 0.000 0.514 345 P HA 0.379 nan 4.420 nan 0.000 0.279 345 P C 0.186 177.524 177.300 0.063 0.000 1.276 345 P CA -0.606 62.465 63.100 -0.048 0.000 0.801 345 P CB 0.631 32.340 31.700 0.015 0.000 1.127 346 A N 0.212 123.104 122.820 0.121 0.000 2.238 346 A HA 0.050 4.371 4.320 0.002 0.000 0.208 346 A C 1.025 178.872 177.584 0.439 0.000 1.177 346 A CA 0.446 52.623 52.037 0.234 0.000 0.804 346 A CB -1.148 17.866 19.000 0.022 0.000 0.823 346 A HN 0.545 nan 8.150 nan 0.000 0.482 347 S N 0.699 116.608 115.700 0.348 0.000 3.363 347 S HA 0.577 5.048 4.470 0.002 0.000 0.267 347 S C -0.404 174.433 174.600 0.394 0.000 1.288 347 S CA -0.601 57.773 58.200 0.290 0.000 0.948 347 S CB -1.242 62.065 63.200 0.178 0.000 1.397 347 S HN 0.862 nan 8.310 nan 0.000 0.493 348 F N -1.631 118.418 119.950 0.165 0.000 2.770 348 F HA 0.615 5.144 4.527 0.002 0.000 0.313 348 F C -1.463 174.422 175.800 0.143 0.000 1.154 348 F CA -1.178 56.903 58.000 0.135 0.000 0.923 348 F CB 0.797 39.869 39.000 0.121 0.000 1.301 348 F HN 0.184 nan 8.300 nan 0.000 0.449 349 E N 2.727 122.788 120.200 -0.231 0.000 2.151 349 E HA 0.407 4.758 4.350 0.002 0.000 0.275 349 E C -2.587 173.863 176.600 -0.250 0.000 0.936 349 E CA -1.948 54.248 56.400 -0.340 0.000 0.777 349 E CB 1.666 31.307 29.700 -0.098 0.000 1.108 349 E HN 0.312 nan 8.360 nan 0.000 0.401 350 P HA -0.006 nan 4.420 nan 0.000 0.270 350 P C -0.803 176.542 177.300 0.075 0.000 1.223 350 P CA -0.091 63.059 63.100 0.082 0.000 0.785 350 P CB 0.734 32.476 31.700 0.070 0.000 0.923 351 S N 1.130 116.902 115.700 0.120 0.000 2.557 351 S HA 0.737 5.208 4.470 0.002 0.000 0.291 351 S C -0.696 173.874 174.600 -0.050 0.000 1.116 351 S CA -0.746 57.462 58.200 0.013 0.000 0.992 351 S CB -0.070 63.144 63.200 0.023 0.000 1.028 351 S HN 0.344 nan 8.310 nan 0.000 0.484 352 I N 1.486 121.943 120.570 -0.188 0.000 2.740 352 I HA 0.689 4.860 4.170 0.002 0.000 0.303 352 I C -0.803 175.049 176.117 -0.443 0.000 1.044 352 I CA -0.955 60.082 61.300 -0.439 0.000 1.064 352 I CB 2.250 39.778 38.000 -0.786 0.000 1.249 352 I HN 0.506 nan 8.210 nan 0.000 0.433 353 D N 4.078 124.202 120.400 -0.460 0.000 3.058 353 D HA 0.295 4.936 4.640 0.002 0.000 0.272 353 D C -0.632 175.658 176.300 -0.018 0.000 1.350 353 D CA -0.191 53.714 54.000 -0.159 0.000 0.863 353 D CB -0.355 40.453 40.800 0.015 0.000 1.064 353 D HN 0.752 nan 8.370 nan 0.000 0.488 354 Y N -3.667 116.642 120.300 0.014 0.000 2.895 354 Y HA 0.643 5.194 4.550 0.002 0.000 0.339 354 Y C -1.636 174.243 175.900 -0.035 0.000 1.363 354 Y CA -1.709 56.377 58.100 -0.024 0.000 1.085 354 Y CB 0.757 39.110 38.460 -0.178 0.000 1.500 354 Y HN -0.207 nan 8.280 nan 0.000 0.442 355 V N 1.963 122.015 119.914 0.229 0.000 2.540 355 V HA 0.617 4.738 4.120 0.002 0.000 0.302 355 V C -0.760 175.429 176.094 0.158 0.000 1.035 355 V CA -0.856 61.550 62.300 0.176 0.000 0.873 355 V CB 1.595 33.534 31.823 0.193 0.000 0.992 355 V HN 0.644 nan 8.190 nan 0.000 0.428 356 V N 3.637 123.637 119.914 0.142 0.000 2.435 356 V HA 0.599 4.720 4.120 0.002 0.000 0.290 356 V C 0.139 176.270 176.094 0.063 0.000 1.030 356 V CA -0.207 62.134 62.300 0.068 0.000 0.881 356 V CB 2.024 33.885 31.823 0.064 0.000 0.983 356 V HN 0.974 nan 8.190 nan 0.000 0.445 357 T N 5.097 119.667 114.554 0.027 0.000 2.848 357 T HA 0.450 4.801 4.350 0.002 0.000 0.285 357 T C -0.608 174.090 174.700 -0.005 0.000 0.995 357 T CA -0.691 61.418 62.100 0.014 0.000 0.970 357 T CB 1.606 70.472 68.868 -0.003 0.000 0.976 357 T HN 0.657 nan 8.240 nan 0.000 0.441 358 K N 3.663 124.053 120.400 -0.017 0.000 2.270 358 K HA 0.648 4.969 4.320 0.002 0.000 0.255 358 K C -1.472 175.097 176.600 -0.053 0.000 0.936 358 K CA -0.730 55.547 56.287 -0.016 0.000 0.809 358 K CB 1.183 33.683 32.500 -0.000 0.000 1.131 358 K HN 0.614 nan 8.250 nan 0.000 0.427 359 I N 5.578 126.116 120.570 -0.053 0.000 2.499 359 I HA 0.324 4.495 4.170 0.002 0.000 0.288 359 I C -2.285 173.793 176.117 -0.065 0.000 1.048 359 I CA -2.597 58.659 61.300 -0.073 0.000 1.062 359 I CB 2.245 40.185 38.000 -0.101 0.000 1.238 359 I HN 0.482 nan 8.210 nan 0.000 0.426 360 P HA 0.224 nan 4.420 nan 0.000 0.274 360 P C -0.979 176.120 177.300 -0.336 0.000 1.237 360 P CA -0.563 62.381 63.100 -0.260 0.000 0.793 360 P CB 0.868 32.325 31.700 -0.406 0.000 0.977 361 R N 1.634 121.874 120.500 -0.433 0.000 2.387 361 R HA 0.600 4.941 4.340 0.002 0.000 0.314 361 R C -1.155 174.854 176.300 -0.485 0.000 0.958 361 R CA -0.456 55.476 56.100 -0.279 0.000 0.846 361 R CB -0.132 30.089 30.300 -0.131 0.000 1.147 361 R HN 0.275 nan 8.270 nan 0.000 0.447 362 F N 1.635 121.595 119.950 0.017 0.000 2.572 362 F HA 0.469 4.997 4.527 0.002 0.000 0.342 362 F C 0.722 176.468 175.800 -0.090 0.000 1.064 362 F CA -0.718 57.228 58.000 -0.090 0.000 1.008 362 F CB 1.779 40.744 39.000 -0.058 0.000 1.303 362 F HN 0.555 nan 8.300 nan 0.000 0.492 363 N N -0.322 118.390 118.700 0.019 0.000 2.545 363 N HA 0.196 4.937 4.740 0.002 0.000 0.283 363 N C 0.235 175.785 175.510 0.067 0.000 1.596 363 N CA 0.015 53.094 53.050 0.049 0.000 0.862 363 N CB 0.159 38.707 38.487 0.101 0.000 1.422 363 N HN 0.351 nan 8.380 nan 0.000 0.489 364 F N 1.696 121.764 119.950 0.197 0.000 2.250 364 F HA -0.176 4.352 4.527 0.002 0.000 0.301 364 F C 2.688 178.491 175.800 0.006 0.000 1.077 364 F CA 0.932 59.000 58.000 0.112 0.000 1.348 364 F CB 0.043 39.069 39.000 0.043 0.000 1.040 364 F HN 0.302 nan 8.300 nan 0.000 0.509 365 E N 1.298 121.570 120.200 0.121 0.000 2.333 365 E HA -0.212 4.139 4.350 0.002 0.000 0.198 365 E C 1.243 177.757 176.600 -0.144 0.000 1.007 365 E CA 1.189 57.590 56.400 0.001 0.000 0.845 365 E CB -0.653 29.040 29.700 -0.013 0.000 0.766 365 E HN 0.392 nan 8.360 nan 0.000 0.507 366 K N -0.236 119.959 120.400 -0.343 0.000 2.404 366 K HA 0.136 4.457 4.320 0.002 0.000 0.194 366 K C -0.382 175.549 176.600 -1.115 0.000 1.023 366 K CA 0.059 55.909 56.287 -0.729 0.000 1.094 366 K CB 0.203 32.132 32.500 -0.950 0.000 0.841 366 K HN 0.034 nan 8.250 nan 0.000 0.523 367 F N -0.258 119.633 119.950 -0.098 0.000 2.584 367 F HA 0.336 4.864 4.527 0.002 0.000 0.328 367 F C 1.015 176.779 175.800 -0.060 0.000 1.407 367 F CA -0.955 56.969 58.000 -0.125 0.000 1.145 367 F CB 0.419 39.141 39.000 -0.464 0.000 1.440 367 F HN -0.152 nan 8.300 nan 0.000 0.580 368 A N 1.326 124.185 122.820 0.064 0.000 1.881 368 A HA -0.188 4.133 4.320 0.002 0.000 0.219 368 A C 2.423 180.040 177.584 0.055 0.000 1.215 368 A CA 2.303 54.367 52.037 0.044 0.000 0.648 368 A CB -1.190 17.817 19.000 0.012 0.000 0.832 368 A HN 0.720 nan 8.150 nan 0.000 0.455 369 G N -1.073 107.771 108.800 0.073 0.000 2.776 369 G HA2 0.372 4.333 3.960 0.002 0.000 0.209 369 G HA3 0.372 4.333 3.960 0.002 0.000 0.209 369 G C 0.557 175.508 174.900 0.085 0.000 1.145 369 G CA 0.701 45.839 45.100 0.063 0.000 0.791 369 G HN 0.885 nan 8.290 nan 0.000 0.530 370 A N 0.384 123.271 122.820 0.113 0.000 2.351 370 A HA 0.432 4.753 4.320 0.002 0.000 0.257 370 A C 0.491 178.123 177.584 0.079 0.000 1.087 370 A CA -0.624 51.499 52.037 0.144 0.000 0.798 370 A CB 0.370 19.436 19.000 0.111 0.000 1.033 370 A HN 0.247 nan 8.150 nan 0.000 0.488 371 N N 1.239 120.006 118.700 0.113 0.000 2.442 371 N HA 0.019 4.760 4.740 0.002 0.000 0.265 371 N C -0.638 174.832 175.510 -0.066 0.000 1.138 371 N CA 0.064 53.126 53.050 0.019 0.000 0.956 371 N CB 0.935 39.454 38.487 0.054 0.000 1.067 371 N HN 0.587 nan 8.380 nan 0.000 0.474 372 D N 2.354 122.544 120.400 -0.349 0.000 2.427 372 D HA 0.093 4.734 4.640 0.002 0.000 0.224 372 D C -0.133 175.741 176.300 -0.710 0.000 1.157 372 D CA -0.197 53.203 54.000 -1.001 0.000 0.828 372 D CB 0.177 40.260 40.800 -1.194 0.000 0.974 372 D HN 0.228 nan 8.370 nan 0.000 0.498 373 R N 0.608 120.929 120.500 -0.298 0.000 2.457 373 R HA 0.446 4.787 4.340 0.002 0.000 0.284 373 R C 0.283 176.556 176.300 -0.045 0.000 1.024 373 R CA -0.733 55.263 56.100 -0.173 0.000 1.025 373 R CB 1.455 31.692 30.300 -0.106 0.000 1.063 373 R HN 0.163 nan 8.270 nan 0.000 0.493 374 L N 0.946 122.162 121.223 -0.012 0.000 2.397 374 L HA 0.318 4.659 4.340 0.002 0.000 0.271 374 L C 1.167 178.103 176.870 0.110 0.000 1.148 374 L CA 0.133 55.027 54.840 0.089 0.000 0.825 374 L CB 0.938 43.057 42.059 0.099 0.000 1.117 374 L HN 0.645 nan 8.230 nan 0.000 0.456 375 T N -1.206 113.435 114.554 0.145 0.000 2.587 375 T HA 0.183 4.534 4.350 0.002 0.000 0.282 375 T C 0.920 175.708 174.700 0.147 0.000 1.018 375 T CA 0.386 62.566 62.100 0.132 0.000 1.120 375 T CB 1.154 70.091 68.868 0.115 0.000 1.538 375 T HN 0.735 nan 8.240 nan 0.000 0.480 376 T N -0.574 114.051 114.554 0.117 0.000 3.067 376 T HA 0.185 4.536 4.350 0.002 0.000 0.261 376 T C 0.777 175.575 174.700 0.163 0.000 1.110 376 T CA 0.376 62.562 62.100 0.142 0.000 1.113 376 T CB -0.088 68.827 68.868 0.079 0.000 0.917 376 T HN 0.493 nan 8.240 nan 0.000 0.499 377 Q N 1.251 121.102 119.800 0.084 0.000 2.296 377 Q HA 0.364 4.705 4.340 0.002 0.000 0.257 377 Q C -0.570 175.417 176.000 -0.023 0.000 0.942 377 Q CA -0.432 55.373 55.803 0.004 0.000 0.939 377 Q CB 0.800 29.518 28.738 -0.033 0.000 1.198 377 Q HN 0.433 nan 8.270 nan 0.000 0.429 378 M N 3.772 123.271 119.600 -0.168 0.000 2.249 378 M HA -0.025 4.456 4.480 0.002 0.000 0.340 378 M C 0.582 176.844 176.300 -0.064 0.000 1.166 378 M CA 1.192 56.410 55.300 -0.137 0.000 1.115 378 M CB 0.521 32.936 32.600 -0.309 0.000 1.606 378 M HN 0.593 nan 8.290 nan 0.000 0.448 379 K N 0.131 120.593 120.400 0.104 0.000 2.521 379 K HA 0.111 4.432 4.320 0.002 0.000 0.213 379 K C 0.136 176.833 176.600 0.161 0.000 1.223 379 K CA -0.088 56.290 56.287 0.152 0.000 1.013 379 K CB 0.825 33.605 32.500 0.467 0.000 1.017 379 K HN 0.787 nan 8.250 nan 0.000 0.591 380 S N 0.440 116.176 115.700 0.061 0.000 2.585 380 S HA 0.096 4.567 4.470 0.002 0.000 0.273 380 S C 1.114 175.588 174.600 -0.210 0.000 1.339 380 S CA -0.626 57.373 58.200 -0.334 0.000 1.028 380 S CB 1.474 64.189 63.200 -0.808 0.000 0.906 380 S HN 0.048 nan 8.310 nan 0.000 0.528 381 V N -1.353 118.433 119.914 -0.214 0.000 3.528 381 V HA 0.675 4.796 4.120 0.002 0.000 0.294 381 V C 0.763 176.788 176.094 -0.114 0.000 1.404 381 V CA 0.575 62.807 62.300 -0.112 0.000 1.065 381 V CB -0.759 31.038 31.823 -0.043 0.000 0.904 381 V HN 1.218 nan 8.190 nan 0.000 0.435 382 G N 0.450 109.149 108.800 -0.169 0.000 2.494 382 G HA2 0.623 4.584 3.960 0.002 0.000 0.308 382 G HA3 0.623 4.584 3.960 0.002 0.000 0.308 382 G C -1.680 173.125 174.900 -0.158 0.000 1.263 382 G CA 0.018 45.041 45.100 -0.127 0.000 0.840 382 G HN 0.750 nan 8.290 nan 0.000 0.479 383 E N -1.975 118.162 120.200 -0.105 0.000 2.388 383 E HA 0.543 4.894 4.350 0.002 0.000 0.281 383 E C -2.141 174.437 176.600 -0.037 0.000 1.046 383 E CA -0.876 55.471 56.400 -0.088 0.000 0.825 383 E CB 2.013 31.667 29.700 -0.077 0.000 1.243 383 E HN 0.880 nan 8.360 nan 0.000 0.438 384 V N 2.477 122.381 119.914 -0.016 0.000 2.919 384 V HA 0.752 4.873 4.120 0.002 0.000 0.316 384 V C -0.782 175.355 176.094 0.070 0.000 1.077 384 V CA -0.766 61.549 62.300 0.026 0.000 0.977 384 V CB 1.924 33.757 31.823 0.017 0.000 1.039 384 V HN 0.832 nan 8.190 nan 0.000 0.441 385 M N 4.603 124.311 119.600 0.180 0.000 2.518 385 M HA 0.868 5.349 4.480 0.002 0.000 0.300 385 M C -1.284 175.195 176.300 0.299 0.000 1.175 385 M CA -0.500 54.931 55.300 0.219 0.000 0.890 385 M CB 2.071 34.811 32.600 0.233 0.000 1.710 385 M HN 0.832 nan 8.290 nan 0.000 0.453 386 A N 4.345 127.248 122.820 0.139 0.000 2.515 386 A HA 0.842 5.163 4.320 0.002 0.000 0.298 386 A C -1.629 175.941 177.584 -0.023 0.000 1.059 386 A CA -0.739 51.368 52.037 0.117 0.000 0.698 386 A CB 1.493 20.539 19.000 0.078 0.000 1.289 386 A HN 0.861 nan 8.150 nan 0.000 0.404 387 I N 1.278 121.791 120.570 -0.094 0.000 2.465 387 I HA 0.680 4.851 4.170 0.002 0.000 0.291 387 I C 0.492 176.431 176.117 -0.297 0.000 1.014 387 I CA -0.491 60.574 61.300 -0.393 0.000 1.093 387 I CB 2.302 39.723 38.000 -0.965 0.000 1.267 387 I HN 0.810 nan 8.210 nan 0.000 0.431 388 G N 4.093 112.768 108.800 -0.209 0.000 2.690 388 G HA2 0.366 4.327 3.960 0.002 0.000 0.293 388 G HA3 0.366 4.327 3.960 0.002 0.000 0.293 388 G C 0.095 175.048 174.900 0.089 0.000 1.399 388 G CA -0.527 44.578 45.100 0.008 0.000 0.890 388 G HN 0.455 nan 8.290 nan 0.000 0.485 389 R N -0.733 119.888 120.500 0.201 0.000 2.235 389 R HA 0.044 4.385 4.340 0.002 0.000 0.213 389 R C 1.010 177.410 176.300 0.167 0.000 1.059 389 R CA 1.327 57.560 56.100 0.221 0.000 0.997 389 R CB -0.206 30.229 30.300 0.225 0.000 0.884 389 R HN 0.721 nan 8.270 nan 0.000 0.462 390 T N -4.302 110.339 114.554 0.144 0.000 2.883 390 T HA 0.199 4.550 4.350 0.002 0.000 0.296 390 T C 0.655 175.435 174.700 0.133 0.000 1.117 390 T CA -0.895 61.285 62.100 0.133 0.000 1.006 390 T CB 2.288 71.216 68.868 0.099 0.000 1.191 390 T HN -0.188 nan 8.240 nan 0.000 0.508 391 Q N 0.463 120.359 119.800 0.160 0.000 2.124 391 Q HA -0.106 4.235 4.340 0.002 0.000 0.202 391 Q C 2.149 178.217 176.000 0.114 0.000 0.977 391 Q CA 1.964 57.881 55.803 0.191 0.000 0.850 391 Q CB -0.401 28.515 28.738 0.297 0.000 0.901 391 Q HN 0.795 nan 8.270 nan 0.000 0.429 392 Q N -0.195 119.639 119.800 0.057 0.000 2.046 392 Q HA -0.188 4.153 4.340 0.002 0.000 0.200 392 Q C 2.014 178.015 176.000 0.002 0.000 0.975 392 Q CA 1.535 57.350 55.803 0.019 0.000 0.836 392 Q CB -0.136 28.589 28.738 -0.021 0.000 0.896 392 Q HN 0.558 nan 8.270 nan 0.000 0.428 393 E N 0.060 120.276 120.200 0.026 0.000 2.077 393 E HA -0.214 4.137 4.350 0.002 0.000 0.193 393 E C 2.067 178.688 176.600 0.035 0.000 0.989 393 E CA 1.264 57.684 56.400 0.034 0.000 0.800 393 E CB -0.063 29.690 29.700 0.088 0.000 0.746 393 E HN 0.143 nan 8.360 nan 0.000 0.452 394 S N -0.030 115.701 115.700 0.051 0.000 2.359 394 S HA -0.182 4.289 4.470 0.002 0.000 0.224 394 S C 1.951 176.555 174.600 0.007 0.000 1.035 394 S CA 1.302 59.525 58.200 0.038 0.000 1.018 394 S CB -0.374 62.866 63.200 0.067 0.000 0.876 394 S HN 0.362 nan 8.310 nan 0.000 0.448 395 L N 1.775 123.000 121.223 0.003 0.000 2.017 395 L HA -0.045 4.296 4.340 0.002 0.000 0.208 395 L C 2.430 179.221 176.870 -0.132 0.000 1.073 395 L CA 1.919 56.722 54.840 -0.062 0.000 0.745 395 L CB -0.949 41.108 42.059 -0.003 0.000 0.894 395 L HN 0.365 nan 8.230 nan 0.000 0.432 396 Q N -0.510 119.227 119.800 -0.106 0.000 2.119 396 Q HA -0.213 4.128 4.340 0.002 0.000 0.201 396 Q C 2.207 178.148 176.000 -0.099 0.000 0.972 396 Q CA 1.664 57.372 55.803 -0.159 0.000 0.847 396 Q CB -0.087 28.540 28.738 -0.184 0.000 0.903 396 Q HN 0.576 nan 8.270 nan 0.000 0.433 397 K N 0.341 120.720 120.400 -0.035 0.000 2.097 397 K HA -0.083 4.238 4.320 0.002 0.000 0.205 397 K C 2.074 178.676 176.600 0.004 0.000 1.050 397 K CA 0.998 57.293 56.287 0.014 0.000 0.938 397 K CB -0.099 32.440 32.500 0.065 0.000 0.718 397 K HN 0.105 nan 8.250 nan 0.000 0.442 398 A N 1.510 124.315 122.820 -0.024 0.000 1.902 398 A HA -0.134 4.187 4.320 0.002 0.000 0.217 398 A C 2.120 179.670 177.584 -0.058 0.000 1.181 398 A CA 1.216 53.236 52.037 -0.029 0.000 0.623 398 A CB -0.644 18.319 19.000 -0.063 0.000 0.818 398 A HN 0.145 nan 8.150 nan 0.000 0.443 399 L N -0.217 120.927 121.223 -0.131 0.000 2.042 399 L HA -0.247 4.094 4.340 0.002 0.000 0.210 399 L C 2.770 179.640 176.870 -0.001 0.000 1.076 399 L CA 1.998 56.763 54.840 -0.124 0.000 0.749 399 L CB -0.522 41.344 42.059 -0.322 0.000 0.893 399 L HN 0.600 nan 8.230 nan 0.000 0.432 400 R N 0.028 120.521 120.500 -0.011 0.000 2.236 400 R HA -0.003 4.338 4.340 0.002 0.000 0.208 400 R C 1.925 178.241 176.300 0.027 0.000 1.036 400 R CA 1.082 57.195 56.100 0.023 0.000 1.001 400 R CB -0.594 29.723 30.300 0.027 0.000 0.896 400 R HN 0.235 nan 8.270 nan 0.000 0.464 401 G N 0.929 109.743 108.800 0.022 0.000 2.838 401 G HA2 -0.078 3.883 3.960 0.002 0.000 0.210 401 G HA3 -0.078 3.883 3.960 0.002 0.000 0.210 401 G C 1.150 176.060 174.900 0.017 0.000 1.153 401 G CA -0.278 44.834 45.100 0.020 0.000 0.778 401 G HN 0.197 nan 8.290 nan 0.000 0.539 402 L N 0.551 121.793 121.223 0.032 0.000 2.265 402 L HA 0.041 4.383 4.340 0.002 0.000 0.215 402 L C 1.122 178.014 176.870 0.036 0.000 1.117 402 L CA 1.037 55.906 54.840 0.048 0.000 0.782 402 L CB -0.182 41.944 42.059 0.112 0.000 0.914 402 L HN 0.272 nan 8.230 nan 0.000 0.441 403 E N -1.103 119.110 120.200 0.022 0.000 2.513 403 E HA -0.187 4.164 4.350 0.002 0.000 0.257 403 E C 0.757 177.356 176.600 -0.003 0.000 1.098 403 E CA 0.884 57.283 56.400 -0.001 0.000 0.752 403 E CB -2.236 27.452 29.700 -0.020 0.000 1.324 403 E HN 0.497 nan 8.360 nan 0.000 0.403 404 V N -4.175 115.744 119.914 0.008 0.000 3.380 404 V HA 0.588 4.709 4.120 0.002 0.000 0.307 404 V C 1.331 177.381 176.094 -0.073 0.000 1.434 404 V CA 1.023 63.307 62.300 -0.027 0.000 1.075 404 V CB 0.732 32.547 31.823 -0.013 0.000 0.954 404 V HN 0.571 nan 8.190 nan 0.000 0.444 405 G N 0.288 109.061 108.800 -0.045 0.000 2.199 405 G HA2 -0.114 3.847 3.960 0.002 0.000 0.254 405 G HA3 -0.114 3.847 3.960 0.002 0.000 0.254 405 G C 0.524 175.392 174.900 -0.053 0.000 0.982 405 G CA 0.212 45.278 45.100 -0.057 0.000 0.632 405 G HN 1.701 nan 8.290 nan 0.000 0.529 406 A N 0.108 122.909 122.820 -0.031 0.000 2.386 406 A HA 0.718 5.039 4.320 0.002 0.000 0.248 406 A C 1.444 179.067 177.584 0.065 0.000 1.082 406 A CA 1.442 53.498 52.037 0.030 0.000 0.789 406 A CB 0.469 19.604 19.000 0.224 0.000 1.025 406 A HN 1.525 nan 8.150 nan 0.000 0.490 407 T N -1.873 112.731 114.554 0.083 0.000 3.040 407 T HA 0.547 4.898 4.350 0.002 0.000 0.266 407 T C 0.809 175.560 174.700 0.084 0.000 1.005 407 T CA 0.951 63.096 62.100 0.075 0.000 0.906 407 T CB -0.148 68.766 68.868 0.075 0.000 1.082 407 T HN 2.263 nan 8.240 nan 0.000 0.531 408 G N 1.383 110.234 108.800 0.086 0.000 2.384 408 G HA2 0.176 4.137 3.960 0.002 0.000 0.113 408 G HA3 0.176 4.137 3.960 0.002 0.000 0.113 408 G C -1.171 173.737 174.900 0.014 0.000 1.224 408 G CA -0.792 44.291 45.100 -0.028 0.000 1.126 408 G HN 0.146 nan 8.290 nan 0.000 0.461 409 F N 3.840 123.906 119.950 0.193 0.000 2.783 409 F HA 0.250 4.778 4.527 0.002 0.000 0.338 409 F C 0.616 176.602 175.800 0.309 0.000 1.178 409 F CA -0.324 57.825 58.000 0.247 0.000 1.343 409 F CB -0.240 38.844 39.000 0.140 0.000 1.496 409 F HN 0.071 nan 8.300 nan 0.000 0.583 410 D N 3.260 123.909 120.400 0.414 0.000 2.443 410 D HA 0.017 4.658 4.640 0.002 0.000 0.239 410 D C -2.108 174.300 176.300 0.180 0.000 1.136 410 D CA -0.853 53.273 54.000 0.210 0.000 0.879 410 D CB 0.541 41.372 40.800 0.053 0.000 1.195 410 D HN 0.119 nan 8.370 nan 0.000 0.443 411 P HA 0.094 nan 4.420 nan 0.000 0.271 411 P C 0.103 177.367 177.300 -0.061 0.000 1.218 411 P CA -0.271 62.857 63.100 0.048 0.000 0.780 411 P CB 1.235 32.964 31.700 0.048 0.000 0.901 412 K N 1.262 121.580 120.400 -0.137 0.000 2.350 412 K HA 0.132 4.453 4.320 0.002 0.000 0.196 412 K C 0.380 176.918 176.600 -0.104 0.000 1.084 412 K CA 0.491 56.632 56.287 -0.242 0.000 0.967 412 K CB 0.255 32.350 32.500 -0.675 0.000 0.950 412 K HN 0.444 nan 8.250 nan 0.000 0.512 413 V N -1.066 118.828 119.914 -0.034 0.000 2.864 413 V HA 0.577 4.698 4.120 0.002 0.000 0.314 413 V C -0.205 175.909 176.094 0.035 0.000 1.073 413 V CA -1.189 61.137 62.300 0.044 0.000 0.956 413 V CB 1.595 33.487 31.823 0.115 0.000 1.023 413 V HN 0.060 nan 8.190 nan 0.000 0.435 414 S N 2.549 118.270 115.700 0.036 0.000 2.565 414 S HA 0.385 4.856 4.470 0.002 0.000 0.276 414 S C 0.892 175.515 174.600 0.037 0.000 1.326 414 S CA -0.531 57.688 58.200 0.031 0.000 1.045 414 S CB 0.629 63.843 63.200 0.024 0.000 0.918 414 S HN 0.783 nan 8.310 nan 0.000 0.505 415 L N 2.126 123.371 121.223 0.036 0.000 2.191 415 L HA -0.070 4.271 4.340 0.002 0.000 0.212 415 L C 1.408 178.298 176.870 0.033 0.000 1.103 415 L CA 1.226 56.090 54.840 0.039 0.000 0.769 415 L CB -0.404 41.678 42.059 0.037 0.000 0.908 415 L HN 0.740 nan 8.230 nan 0.000 0.438 416 D N -1.335 119.082 120.400 0.028 0.000 2.340 416 D HA -0.045 4.596 4.640 0.002 0.000 0.220 416 D C 0.448 176.762 176.300 0.023 0.000 1.039 416 D CA 0.093 54.107 54.000 0.024 0.000 0.866 416 D CB -0.250 40.562 40.800 0.019 0.000 0.913 416 D HN 0.186 nan 8.370 nan 0.000 0.523 417 D N 2.077 122.494 120.400 0.028 0.000 2.325 417 D HA 0.052 4.693 4.640 0.002 0.000 0.251 417 D C -1.330 174.986 176.300 0.026 0.000 1.196 417 D CA -2.070 51.946 54.000 0.028 0.000 0.866 417 D CB 1.870 42.690 40.800 0.033 0.000 1.101 417 D HN -0.122 nan 8.370 nan 0.000 0.476 418 P HA -0.073 nan 4.420 nan 0.000 0.222 418 P C 0.348 177.658 177.300 0.017 0.000 1.147 418 P CA 0.927 64.038 63.100 0.018 0.000 0.790 418 P CB 0.392 32.100 31.700 0.013 0.000 0.780 419 E N -1.036 119.175 120.200 0.019 0.000 2.481 419 E HA 0.219 4.570 4.350 0.002 0.000 0.198 419 E C 1.838 178.453 176.600 0.024 0.000 1.027 419 E CA -0.069 56.340 56.400 0.016 0.000 0.900 419 E CB -0.020 29.686 29.700 0.010 0.000 0.993 419 E HN 0.067 nan 8.360 nan 0.000 0.482 420 A N 1.605 124.447 122.820 0.036 0.000 1.881 420 A HA -0.258 4.063 4.320 0.002 0.000 0.219 420 A C 2.100 179.714 177.584 0.051 0.000 1.215 420 A CA 1.463 53.533 52.037 0.055 0.000 0.648 420 A CB -0.845 18.191 19.000 0.060 0.000 0.832 420 A HN 0.259 nan 8.150 nan 0.000 0.455 421 L N -1.042 120.203 121.223 0.036 0.000 2.187 421 L HA -0.184 4.157 4.340 0.002 0.000 0.213 421 L C 2.705 179.579 176.870 0.007 0.000 1.100 421 L CA 1.717 56.572 54.840 0.025 0.000 0.765 421 L CB -0.596 41.475 42.059 0.021 0.000 0.904 421 L HN 0.425 nan 8.230 nan 0.000 0.437 422 T N -0.910 113.646 114.554 0.002 0.000 2.896 422 T HA -0.103 4.248 4.350 0.002 0.000 0.263 422 T C 1.895 176.574 174.700 -0.035 0.000 1.050 422 T CA 0.939 63.029 62.100 -0.016 0.000 1.140 422 T CB 0.096 68.956 68.868 -0.013 0.000 0.877 422 T HN 0.296 nan 8.240 nan 0.000 0.457 423 K N 0.743 121.129 120.400 -0.023 0.000 2.062 423 K HA 0.113 4.434 4.320 0.002 0.000 0.205 423 K C 2.140 178.664 176.600 -0.127 0.000 1.051 423 K CA 0.940 57.192 56.287 -0.058 0.000 0.941 423 K CB -0.222 32.281 32.500 0.006 0.000 0.719 423 K HN 0.280 nan 8.250 nan 0.000 0.440 424 I N 1.098 121.652 120.570 -0.027 0.000 2.163 424 I HA -0.322 3.849 4.170 0.002 0.000 0.243 424 I C 2.758 178.818 176.117 -0.095 0.000 1.085 424 I CA 1.244 62.541 61.300 -0.005 0.000 1.347 424 I CB -0.244 37.811 38.000 0.091 0.000 1.044 424 I HN 0.187 nan 8.210 nan 0.000 0.408 425 R N 0.974 121.434 120.500 -0.067 0.000 2.091 425 R HA -0.227 4.114 4.340 0.002 0.000 0.238 425 R C 2.556 178.793 176.300 -0.105 0.000 1.136 425 R CA 1.504 57.561 56.100 -0.072 0.000 0.959 425 R CB -0.288 29.983 30.300 -0.048 0.000 0.856 425 R HN 0.246 nan 8.270 nan 0.000 0.437 426 R N 0.810 121.231 120.500 -0.131 0.000 2.075 426 R HA -0.104 4.237 4.340 0.002 0.000 0.232 426 R C 1.467 177.653 176.300 -0.189 0.000 1.126 426 R CA 1.499 57.512 56.100 -0.146 0.000 0.963 426 R CB -0.255 29.957 30.300 -0.147 0.000 0.858 426 R HN 0.238 nan 8.270 nan 0.000 0.435 427 E N 0.726 120.749 120.200 -0.294 0.000 2.204 427 E HA -0.153 4.198 4.350 0.002 0.000 0.195 427 E C 1.947 178.436 176.600 -0.185 0.000 0.990 427 E CA 0.757 56.936 56.400 -0.368 0.000 0.821 427 E CB -0.057 29.099 29.700 -0.907 0.000 0.750 427 E HN 0.223 nan 8.360 nan 0.000 0.477 428 L N 0.743 121.884 121.223 -0.136 0.000 2.145 428 L HA -0.013 4.328 4.340 0.002 0.000 0.201 428 L C 2.345 179.174 176.870 -0.069 0.000 1.075 428 L CA 1.345 56.145 54.840 -0.067 0.000 0.773 428 L CB -0.406 41.616 42.059 -0.061 0.000 0.936 428 L HN -0.040 nan 8.230 nan 0.000 0.451 429 K N -0.759 119.591 120.400 -0.084 0.000 2.217 429 K HA -0.069 4.252 4.320 0.002 0.000 0.202 429 K C -0.416 176.137 176.600 -0.079 0.000 1.051 429 K CA 1.034 57.274 56.287 -0.078 0.000 0.952 429 K CB 0.234 32.687 32.500 -0.079 0.000 0.736 429 K HN 0.231 nan 8.250 nan 0.000 0.453 430 D N 1.051 121.394 120.400 -0.094 0.000 2.400 430 D HA 0.161 4.802 4.640 0.002 0.000 0.272 430 D C -1.166 175.080 176.300 -0.089 0.000 1.220 430 D CA -0.165 53.779 54.000 -0.093 0.000 0.897 430 D CB 1.343 42.069 40.800 -0.122 0.000 1.134 430 D HN 0.222 nan 8.370 nan 0.000 0.507 431 A N 1.308 124.099 122.820 -0.048 0.000 2.565 431 A HA 0.481 4.802 4.320 0.002 0.000 0.237 431 A C 0.897 178.443 177.584 -0.064 0.000 1.053 431 A CA 0.538 52.559 52.037 -0.027 0.000 0.755 431 A CB 0.433 19.450 19.000 0.028 0.000 0.980 431 A HN 0.501 nan 8.150 nan 0.000 0.506 432 G N -0.616 108.139 108.800 -0.076 0.000 3.140 432 G HA2 0.585 4.546 3.960 0.002 0.000 0.271 432 G HA3 0.585 4.546 3.960 0.002 0.000 0.271 432 G C 0.834 175.664 174.900 -0.116 0.000 1.370 432 G CA 0.120 45.124 45.100 -0.160 0.000 1.014 432 G HN 1.313 nan 8.290 nan 0.000 0.541 433 A N -0.763 121.948 122.820 -0.182 0.000 2.015 433 A HA 0.076 4.397 4.320 0.002 0.000 0.219 433 A C 1.418 179.170 177.584 0.280 0.000 1.163 433 A CA 1.827 53.788 52.037 -0.126 0.000 0.646 433 A CB -0.155 18.785 19.000 -0.101 0.000 0.806 433 A HN 0.406 nan 8.150 nan 0.000 0.448 434 D N -1.083 119.518 120.400 0.335 0.000 2.328 434 D HA 0.045 4.686 4.640 0.002 0.000 0.221 434 D C 1.622 178.308 176.300 0.644 0.000 1.072 434 D CA 0.044 54.419 54.000 0.626 0.000 0.850 434 D CB -0.156 40.952 40.800 0.512 0.000 0.922 434 D HN 0.519 nan 8.370 nan 0.000 0.516 435 R N 0.752 121.483 120.500 0.385 0.000 2.113 435 R HA -0.221 4.120 4.340 0.002 0.000 0.244 435 R C 2.014 178.492 176.300 0.297 0.000 1.142 435 R CA 1.199 57.487 56.100 0.314 0.000 0.953 435 R CB -0.359 30.050 30.300 0.182 0.000 0.860 435 R HN 0.081 nan 8.270 nan 0.000 0.438 436 I N 0.313 120.963 120.570 0.133 0.000 2.151 436 I HA -0.301 3.870 4.170 0.002 0.000 0.243 436 I C 1.678 177.821 176.117 0.042 0.000 1.080 436 I CA 1.560 62.824 61.300 -0.061 0.000 1.339 436 I CB -0.349 37.350 38.000 -0.501 0.000 1.039 436 I HN 0.335 nan 8.210 nan 0.000 0.409 437 W N -0.819 120.595 121.300 0.189 0.000 2.418 437 W HA -0.180 4.481 4.660 0.002 0.000 0.292 437 W C 2.557 179.095 176.519 0.032 0.000 1.213 437 W CA 0.828 58.250 57.345 0.128 0.000 1.283 437 W CB -1.223 28.203 29.460 -0.056 0.000 1.119 437 W HN 0.212 nan 8.180 nan 0.000 0.542 438 Y N 0.405 120.888 120.300 0.305 0.000 2.352 438 Y HA -0.167 4.384 4.550 0.002 0.000 0.292 438 Y C 2.412 178.336 175.900 0.040 0.000 1.136 438 Y CA 1.091 59.282 58.100 0.150 0.000 1.227 438 Y CB -0.758 37.761 38.460 0.099 0.000 0.991 438 Y HN -0.177 nan 8.280 nan 0.000 0.545 439 I N -0.701 119.973 120.570 0.173 0.000 2.226 439 I HA -0.333 3.838 4.170 0.002 0.000 0.245 439 I C 2.530 178.522 176.117 -0.208 0.000 1.100 439 I CA 1.198 62.468 61.300 -0.050 0.000 1.374 439 I CB -0.427 37.604 38.000 0.052 0.000 1.057 439 I HN 0.198 nan 8.210 nan 0.000 0.413 440 A N 0.129 122.945 122.820 -0.007 0.000 1.930 440 A HA -0.207 4.114 4.320 0.002 0.000 0.217 440 A C 1.948 179.567 177.584 0.058 0.000 1.175 440 A CA 1.746 53.791 52.037 0.012 0.000 0.627 440 A CB -0.499 18.466 19.000 -0.058 0.000 0.815 440 A HN 0.311 nan 8.150 nan 0.000 0.443 441 D N 0.304 120.747 120.400 0.071 0.000 2.123 441 D HA -0.090 4.551 4.640 0.002 0.000 0.196 441 D C 2.217 178.542 176.300 0.042 0.000 0.992 441 D CA 1.485 55.529 54.000 0.075 0.000 0.833 441 D CB -0.406 40.443 40.800 0.082 0.000 0.954 441 D HN 0.415 nan 8.370 nan 0.000 0.455 442 A N 0.262 123.050 122.820 -0.052 0.000 1.940 442 A HA -0.189 4.132 4.320 0.002 0.000 0.219 442 A C 1.929 179.457 177.584 -0.093 0.000 1.176 442 A CA 1.081 53.040 52.037 -0.131 0.000 0.631 442 A CB -0.830 18.008 19.000 -0.270 0.000 0.814 442 A HN 0.138 nan 8.150 nan 0.000 0.446 443 F N -0.189 119.788 119.950 0.046 0.000 2.259 443 F HA -0.000 4.528 4.527 0.002 0.000 0.298 443 F C 2.437 178.254 175.800 0.027 0.000 1.088 443 F CA 1.088 59.103 58.000 0.025 0.000 1.358 443 F CB -0.474 38.523 39.000 -0.006 0.000 1.040 443 F HN 0.152 nan 8.300 nan 0.000 0.505 444 R N -0.139 120.479 120.500 0.197 0.000 2.148 444 R HA 0.060 4.401 4.340 0.002 0.000 0.223 444 R C 2.200 178.562 176.300 0.103 0.000 1.088 444 R CA 0.980 57.161 56.100 0.134 0.000 0.985 444 R CB -0.554 29.811 30.300 0.108 0.000 0.880 444 R HN 0.188 nan 8.270 nan 0.000 0.451 445 A N 0.091 122.966 122.820 0.093 0.000 2.169 445 A HA 0.222 4.543 4.320 0.002 0.000 0.212 445 A C 1.485 179.113 177.584 0.073 0.000 1.153 445 A CA 0.963 53.043 52.037 0.073 0.000 0.756 445 A CB 0.044 19.081 19.000 0.061 0.000 0.813 445 A HN 0.444 nan 8.150 nan 0.000 0.471 446 G N -1.810 107.049 108.800 0.099 0.000 2.175 446 G HA2 -0.131 3.830 3.960 0.002 0.000 0.182 446 G HA3 -0.131 3.830 3.960 0.002 0.000 0.182 446 G C -0.003 174.960 174.900 0.106 0.000 1.003 446 G CA -0.067 45.090 45.100 0.095 0.000 0.666 446 G HN 0.328 nan 8.290 nan 0.000 0.506 447 L N 2.244 123.535 121.223 0.113 0.000 2.417 447 L HA 0.562 4.903 4.340 0.002 0.000 0.268 447 L C 1.433 178.428 176.870 0.209 0.000 1.158 447 L CA 0.138 55.041 54.840 0.105 0.000 0.819 447 L CB 1.286 43.360 42.059 0.025 0.000 1.112 447 L HN 0.429 nan 8.230 nan 0.000 0.458 448 S N 1.159 116.966 115.700 0.180 0.000 2.669 448 S HA 0.273 4.744 4.470 0.002 0.000 0.270 448 S C 1.028 175.820 174.600 0.320 0.000 1.225 448 S CA -0.951 57.381 58.200 0.221 0.000 0.991 448 S CB 1.586 64.864 63.200 0.131 0.000 0.987 448 S HN 0.311 nan 8.310 nan 0.000 0.552 449 V N 1.197 121.299 119.914 0.313 0.000 2.343 449 V HA -0.157 3.964 4.120 0.002 0.000 0.247 449 V C 2.071 178.321 176.094 0.260 0.000 1.051 449 V CA 2.249 64.754 62.300 0.340 0.000 1.036 449 V CB -0.942 30.977 31.823 0.160 0.000 0.654 449 V HN 0.847 nan 8.190 nan 0.000 0.451 450 D N 0.393 120.900 120.400 0.178 0.000 2.178 450 D HA -0.091 4.550 4.640 0.002 0.000 0.202 450 D C 2.176 178.602 176.300 0.211 0.000 0.974 450 D CA 1.477 55.584 54.000 0.179 0.000 0.841 450 D CB -0.505 40.358 40.800 0.105 0.000 0.953 450 D HN 0.479 nan 8.370 nan 0.000 0.478 451 G N 0.630 109.527 108.800 0.162 0.000 2.404 451 G HA2 -0.191 3.770 3.960 0.002 0.000 0.215 451 G HA3 -0.191 3.770 3.960 0.002 0.000 0.215 451 G C 1.863 176.822 174.900 0.098 0.000 1.174 451 G CA 0.627 45.797 45.100 0.117 0.000 0.780 451 G HN 0.227 nan 8.290 nan 0.000 0.537 452 V N 0.486 120.464 119.914 0.108 0.000 2.343 452 V HA -0.132 3.989 4.120 0.002 0.000 0.247 452 V C 2.306 178.444 176.094 0.072 0.000 1.051 452 V CA 1.848 64.172 62.300 0.040 0.000 1.036 452 V CB -0.667 31.136 31.823 -0.032 0.000 0.654 452 V HN 0.395 nan 8.190 nan 0.000 0.451 453 F N 1.907 121.892 119.950 0.058 0.000 2.065 453 F HA -0.284 4.244 4.527 0.002 0.000 0.298 453 F C 2.392 178.215 175.800 0.039 0.000 1.112 453 F CA 2.337 60.368 58.000 0.052 0.000 1.212 453 F CB -0.410 38.627 39.000 0.062 0.000 0.975 453 F HN 0.186 nan 8.300 nan 0.000 0.476 454 N N 0.693 119.433 118.700 0.068 0.000 2.137 454 N HA -0.195 4.546 4.740 0.002 0.000 0.190 454 N C 1.855 177.289 175.510 -0.127 0.000 1.017 454 N CA 1.877 54.919 53.050 -0.014 0.000 0.859 454 N CB -0.517 38.037 38.487 0.111 0.000 1.002 454 N HN 0.396 nan 8.380 nan 0.000 0.428 455 L N -0.347 120.816 121.223 -0.100 0.000 2.202 455 L HA 0.003 4.344 4.340 0.002 0.000 0.205 455 L C 2.188 178.977 176.870 -0.136 0.000 1.083 455 L CA 1.276 56.058 54.840 -0.096 0.000 0.790 455 L CB -0.389 41.633 42.059 -0.063 0.000 0.942 455 L HN 0.253 nan 8.230 nan 0.000 0.452 456 T N -5.140 109.308 114.554 -0.176 0.000 3.037 456 T HA 0.104 4.455 4.350 0.002 0.000 0.251 456 T C 0.867 175.411 174.700 -0.259 0.000 1.079 456 T CA 0.478 62.480 62.100 -0.164 0.000 1.067 456 T CB -0.150 68.654 68.868 -0.108 0.000 0.948 456 T HN 0.339 nan 8.240 nan 0.000 0.496 457 N N 0.245 118.620 118.700 -0.541 0.000 2.863 457 N HA -0.127 4.614 4.740 0.002 0.000 0.245 457 N C -0.787 174.552 175.510 -0.285 0.000 1.001 457 N CA 0.602 53.280 53.050 -0.621 0.000 0.901 457 N CB -1.721 36.597 38.487 -0.281 0.000 1.124 457 N HN 0.547 nan 8.380 nan 0.000 0.582 458 I N 1.290 121.739 120.570 -0.200 0.000 2.471 458 I HA 0.010 4.181 4.170 0.002 0.000 0.286 458 I C 0.885 177.130 176.117 0.214 0.000 1.079 458 I CA -0.081 61.150 61.300 -0.114 0.000 1.398 458 I CB 0.393 38.170 38.000 -0.372 0.000 1.403 458 I HN 0.129 nan 8.210 nan 0.000 0.530 459 D N 6.173 126.769 120.400 0.327 0.000 2.583 459 D HA -0.083 4.558 4.640 0.002 0.000 0.232 459 D C 1.196 177.694 176.300 0.331 0.000 1.128 459 D CA 0.444 54.673 54.000 0.382 0.000 0.859 459 D CB 0.787 41.750 40.800 0.271 0.000 1.169 459 D HN 0.492 nan 8.370 nan 0.000 0.481 460 R N 2.790 123.425 120.500 0.225 0.000 2.159 460 R HA -0.200 4.141 4.340 0.002 0.000 0.237 460 R C 1.927 178.294 176.300 0.112 0.000 1.131 460 R CA 1.172 57.361 56.100 0.148 0.000 0.982 460 R CB -0.127 30.176 30.300 0.005 0.000 0.868 460 R HN 0.659 nan 8.270 nan 0.000 0.453 461 W N 0.524 121.754 121.300 -0.116 0.000 2.350 461 W HA -0.200 4.461 4.660 0.002 0.000 0.289 461 W C 1.141 177.544 176.519 -0.193 0.000 1.215 461 W CA 1.431 58.643 57.345 -0.222 0.000 1.236 461 W CB -0.117 29.117 29.460 -0.377 0.000 1.130 461 W HN -0.031 nan 8.180 nan 0.000 0.541 462 F N -0.467 119.620 119.950 0.230 0.000 2.262 462 F HA -0.004 4.524 4.527 0.002 0.000 0.292 462 F C 2.206 178.060 175.800 0.090 0.000 1.081 462 F CA 1.059 59.152 58.000 0.155 0.000 1.355 462 F CB -1.211 37.956 39.000 0.279 0.000 1.069 462 F HN -0.259 nan 8.300 nan 0.000 0.506 463 L N 0.231 121.640 121.223 0.310 0.000 2.042 463 L HA -0.199 4.142 4.340 0.002 0.000 0.210 463 L C 2.596 179.530 176.870 0.107 0.000 1.076 463 L CA 1.452 56.472 54.840 0.301 0.000 0.749 463 L CB -1.104 41.167 42.059 0.354 0.000 0.893 463 L HN 0.167 nan 8.230 nan 0.000 0.432 464 V N -2.696 117.196 119.914 -0.037 0.000 2.469 464 V HA -0.283 3.838 4.120 0.002 0.000 0.251 464 V C 2.156 178.119 176.094 -0.218 0.000 1.064 464 V CA 1.553 63.745 62.300 -0.180 0.000 1.066 464 V CB -0.823 30.892 31.823 -0.180 0.000 0.667 464 V HN 0.518 nan 8.190 nan 0.000 0.461 465 Q N 0.177 119.866 119.800 -0.184 0.000 2.123 465 Q HA 0.030 4.371 4.340 0.002 0.000 0.199 465 Q C 2.323 178.252 176.000 -0.119 0.000 0.966 465 Q CA 1.997 57.700 55.803 -0.168 0.000 0.845 465 Q CB -0.246 28.379 28.738 -0.189 0.000 0.907 465 Q HN 0.671 nan 8.270 nan 0.000 0.439 466 I N 0.824 121.357 120.570 -0.062 0.000 2.252 466 I HA -0.263 3.908 4.170 0.002 0.000 0.245 466 I C 2.522 178.510 176.117 -0.215 0.000 1.102 466 I CA 1.204 62.418 61.300 -0.144 0.000 1.385 466 I CB -0.277 37.724 38.000 0.001 0.000 1.064 466 I HN 0.280 nan 8.210 nan 0.000 0.414 467 E N 1.432 121.380 120.200 -0.420 0.000 2.085 467 E HA -0.326 4.025 4.350 0.002 0.000 0.194 467 E C 2.127 178.505 176.600 -0.369 0.000 0.994 467 E CA 1.757 57.656 56.400 -0.835 0.000 0.801 467 E CB -0.112 28.796 29.700 -1.321 0.000 0.743 467 E HN 0.511 nan 8.360 nan 0.000 0.453 468 E N 0.350 120.397 120.200 -0.255 0.000 2.110 468 E HA -0.202 4.149 4.350 0.002 0.000 0.193 468 E C 2.250 178.837 176.600 -0.021 0.000 0.988 468 E CA 0.987 57.312 56.400 -0.125 0.000 0.804 468 E CB -0.104 29.534 29.700 -0.104 0.000 0.745 468 E HN 0.386 nan 8.360 nan 0.000 0.458 469 L N 0.362 121.577 121.223 -0.013 0.000 2.056 469 L HA -0.160 4.181 4.340 0.002 0.000 0.207 469 L C 2.579 179.568 176.870 0.198 0.000 1.078 469 L CA 0.702 55.630 54.840 0.146 0.000 0.749 469 L CB -0.357 41.702 42.059 -0.000 0.000 0.901 469 L HN 0.115 nan 8.230 nan 0.000 0.433 470 V N -0.078 119.863 119.914 0.044 0.000 2.255 470 V HA -0.276 3.845 4.120 0.002 0.000 0.247 470 V C 2.716 178.853 176.094 0.072 0.000 1.051 470 V CA 1.658 64.004 62.300 0.076 0.000 1.018 470 V CB -0.646 31.219 31.823 0.070 0.000 0.641 470 V HN 0.449 nan 8.190 nan 0.000 0.445 471 R N -0.112 120.402 120.500 0.023 0.000 2.103 471 R HA -0.153 4.188 4.340 0.002 0.000 0.242 471 R C 2.217 178.548 176.300 0.051 0.000 1.142 471 R CA 1.492 57.603 56.100 0.018 0.000 0.960 471 R CB -1.009 29.279 30.300 -0.019 0.000 0.858 471 R HN 0.444 nan 8.270 nan 0.000 0.439 472 L N 0.937 122.216 121.223 0.094 0.000 2.083 472 L HA -0.146 4.195 4.340 0.002 0.000 0.209 472 L C 2.431 179.315 176.870 0.024 0.000 1.083 472 L CA 1.311 56.217 54.840 0.109 0.000 0.752 472 L CB -0.395 41.774 42.059 0.183 0.000 0.899 472 L HN 0.235 nan 8.230 nan 0.000 0.433 473 E N 0.076 120.294 120.200 0.030 0.000 2.106 473 E HA -0.222 4.129 4.350 0.002 0.000 0.192 473 E C 1.983 178.594 176.600 0.017 0.000 0.984 473 E CA 1.088 57.477 56.400 -0.018 0.000 0.806 473 E CB -0.062 29.694 29.700 0.094 0.000 0.750 473 E HN 0.578 nan 8.360 nan 0.000 0.458 474 E N 0.981 121.205 120.200 0.040 0.000 2.153 474 E HA -0.202 4.149 4.350 0.002 0.000 0.194 474 E C 2.057 178.674 176.600 0.028 0.000 0.988 474 E CA 0.842 57.263 56.400 0.034 0.000 0.811 474 E CB -0.057 29.663 29.700 0.033 0.000 0.746 474 E HN 0.112 nan 8.360 nan 0.000 0.466 475 K N 1.103 121.526 120.400 0.038 0.000 2.062 475 K HA -0.106 4.215 4.320 0.002 0.000 0.205 475 K C 2.112 178.766 176.600 0.090 0.000 1.051 475 K CA 0.865 57.173 56.287 0.035 0.000 0.941 475 K CB 0.093 32.602 32.500 0.015 0.000 0.719 475 K HN -0.070 nan 8.250 nan 0.000 0.440 476 V N 1.624 121.614 119.914 0.127 0.000 2.287 476 V HA -0.274 3.847 4.120 0.002 0.000 0.248 476 V C 2.497 178.618 176.094 0.046 0.000 1.053 476 V CA 2.076 64.435 62.300 0.100 0.000 1.027 476 V CB -0.806 30.975 31.823 -0.070 0.000 0.646 476 V HN 0.528 nan 8.190 nan 0.000 0.447 477 A N -0.657 122.177 122.820 0.024 0.000 1.902 477 A HA -0.282 4.039 4.320 0.002 0.000 0.217 477 A C 2.288 179.885 177.584 0.022 0.000 1.181 477 A CA 2.109 54.158 52.037 0.019 0.000 0.623 477 A CB -0.481 18.532 19.000 0.021 0.000 0.818 477 A HN 0.640 nan 8.150 nan 0.000 0.443 478 E N -0.127 120.086 120.200 0.022 0.000 2.028 478 E HA -0.139 4.212 4.350 0.002 0.000 0.191 478 E C 1.949 178.557 176.600 0.014 0.000 0.988 478 E CA 1.837 58.244 56.400 0.012 0.000 0.799 478 E CB -0.151 29.549 29.700 0.000 0.000 0.755 478 E HN 0.532 nan 8.360 nan 0.000 0.447 479 V N -1.628 118.300 119.914 0.025 0.000 3.041 479 V HA 0.197 4.318 4.120 0.002 0.000 0.260 479 V C 1.104 177.225 176.094 0.044 0.000 1.105 479 V CA 0.663 62.981 62.300 0.029 0.000 1.125 479 V CB -1.153 30.688 31.823 0.030 0.000 0.730 479 V HN 0.403 nan 8.190 nan 0.000 0.479 480 G N 0.265 109.092 108.800 0.045 0.000 2.907 480 G HA2 -0.337 3.624 3.960 0.002 0.000 0.242 480 G HA3 -0.337 3.624 3.960 0.002 0.000 0.242 480 G C 0.476 175.402 174.900 0.044 0.000 1.448 480 G CA 0.231 45.351 45.100 0.033 0.000 0.911 480 G HN 0.785 nan 8.290 nan 0.000 0.553 481 I N -0.017 120.568 120.570 0.025 0.000 2.381 481 I HA -0.226 3.945 4.170 0.002 0.000 0.255 481 I C 2.634 178.779 176.117 0.045 0.000 1.140 481 I CA 2.682 63.995 61.300 0.022 0.000 1.404 481 I CB -0.127 37.874 38.000 0.001 0.000 1.075 481 I HN 0.676 nan 8.210 nan 0.000 0.433 482 T N 0.064 114.645 114.554 0.046 0.000 2.821 482 T HA -0.076 4.275 4.350 0.002 0.000 0.267 482 T C 1.552 176.297 174.700 0.074 0.000 1.046 482 T CA 1.311 63.442 62.100 0.051 0.000 1.139 482 T CB -0.476 68.412 68.868 0.034 0.000 0.871 482 T HN 0.620 nan 8.240 nan 0.000 0.454 483 G N 0.909 109.762 108.800 0.088 0.000 2.744 483 G HA2 0.095 4.056 3.960 0.002 0.000 0.211 483 G HA3 0.095 4.056 3.960 0.002 0.000 0.211 483 G C 0.706 175.751 174.900 0.242 0.000 1.143 483 G CA -0.102 45.069 45.100 0.119 0.000 0.788 483 G HN 0.459 nan 8.290 nan 0.000 0.534 484 L N 2.594 123.939 121.223 0.204 0.000 2.650 484 L HA 0.149 4.490 4.340 0.002 0.000 0.239 484 L C 0.596 177.623 176.870 0.261 0.000 1.412 484 L CA -0.773 54.191 54.840 0.208 0.000 1.219 484 L CB -1.247 40.858 42.059 0.076 0.000 1.534 484 L HN 0.263 nan 8.230 nan 0.000 0.430 485 N N 0.096 118.931 118.700 0.226 0.000 2.288 485 N HA 0.106 4.847 4.740 0.002 0.000 0.237 485 N C 1.209 176.665 175.510 -0.089 0.000 1.311 485 N CA 0.317 53.422 53.050 0.091 0.000 0.909 485 N CB 0.722 39.231 38.487 0.037 0.000 1.167 485 N HN 0.142 nan 8.380 nan 0.000 0.476 486 A N -0.402 122.096 122.820 -0.537 0.000 1.902 486 A HA -0.177 4.144 4.320 0.002 0.000 0.217 486 A C 1.519 178.972 177.584 -0.219 0.000 1.181 486 A CA 1.628 53.249 52.037 -0.693 0.000 0.623 486 A CB -0.768 17.724 19.000 -0.847 0.000 0.818 486 A HN 0.773 nan 8.150 nan 0.000 0.443 487 D N -1.117 119.217 120.400 -0.110 0.000 2.117 487 D HA -0.100 4.541 4.640 0.002 0.000 0.198 487 D C 1.613 177.973 176.300 0.100 0.000 0.982 487 D CA 1.042 55.038 54.000 -0.006 0.000 0.828 487 D CB -0.433 40.370 40.800 0.005 0.000 0.967 487 D HN 0.408 nan 8.370 nan 0.000 0.464 488 F N 1.374 121.283 119.950 -0.068 0.000 2.146 488 F HA -0.077 4.451 4.527 0.002 0.000 0.298 488 F C 2.033 177.807 175.800 -0.043 0.000 1.096 488 F CA 0.502 58.473 58.000 -0.048 0.000 1.275 488 F CB -0.587 38.387 39.000 -0.043 0.000 1.008 488 F HN -0.125 nan 8.300 nan 0.000 0.480 489 L N 0.826 121.944 121.223 -0.175 0.000 2.046 489 L HA -0.125 4.216 4.340 0.002 0.000 0.208 489 L C 2.638 179.390 176.870 -0.196 0.000 1.077 489 L CA 1.939 56.636 54.840 -0.240 0.000 0.747 489 L CB -0.923 41.130 42.059 -0.010 0.000 0.896 489 L HN 0.175 nan 8.230 nan 0.000 0.432 490 R N -0.872 119.565 120.500 -0.105 0.000 2.081 490 R HA -0.222 4.119 4.340 0.002 0.000 0.235 490 R C 2.390 178.638 176.300 -0.087 0.000 1.131 490 R CA 1.877 57.923 56.100 -0.091 0.000 0.960 490 R CB -0.432 29.857 30.300 -0.019 0.000 0.856 490 R HN 0.618 nan 8.270 nan 0.000 0.436 491 Q N 0.469 120.248 119.800 -0.034 0.000 2.030 491 Q HA -0.203 4.138 4.340 0.002 0.000 0.204 491 Q C 2.103 178.095 176.000 -0.013 0.000 0.986 491 Q CA 2.083 57.899 55.803 0.022 0.000 0.843 491 Q CB -0.169 28.649 28.738 0.134 0.000 0.904 491 Q HN 0.495 nan 8.270 nan 0.000 0.420 492 L N 0.595 121.735 121.223 -0.138 0.000 2.046 492 L HA -0.210 4.131 4.340 0.002 0.000 0.208 492 L C 2.630 179.518 176.870 0.030 0.000 1.077 492 L CA 1.065 55.865 54.840 -0.066 0.000 0.747 492 L CB -0.452 41.363 42.059 -0.407 0.000 0.896 492 L HN 0.104 nan 8.230 nan 0.000 0.432 493 K N 0.371 120.646 120.400 -0.209 0.000 2.097 493 K HA -0.118 4.203 4.320 0.002 0.000 0.206 493 K C 2.160 178.594 176.600 -0.276 0.000 1.049 493 K CA 1.235 57.261 56.287 -0.435 0.000 0.933 493 K CB -0.360 31.467 32.500 -1.121 0.000 0.717 493 K HN 0.294 nan 8.250 nan 0.000 0.442 494 R N 0.956 121.383 120.500 -0.121 0.000 2.152 494 R HA -0.048 4.293 4.340 0.002 0.000 0.232 494 R C 1.683 178.023 176.300 0.067 0.000 1.117 494 R CA 1.012 57.144 56.100 0.053 0.000 0.981 494 R CB 0.020 30.366 30.300 0.077 0.000 0.870 494 R HN 0.119 nan 8.270 nan 0.000 0.451 495 K N -0.576 119.856 120.400 0.053 0.000 2.417 495 K HA 0.102 4.423 4.320 0.002 0.000 0.196 495 K C 0.695 177.236 176.600 -0.099 0.000 1.023 495 K CA 0.645 56.945 56.287 0.021 0.000 1.122 495 K CB 1.044 33.596 32.500 0.086 0.000 0.850 495 K HN 0.377 nan 8.250 nan 0.000 0.521 496 G N 1.518 110.292 108.800 -0.044 0.000 2.157 496 G HA2 -0.258 3.703 3.960 0.002 0.000 0.248 496 G HA3 -0.258 3.703 3.960 0.002 0.000 0.248 496 G C -0.040 174.789 174.900 -0.119 0.000 0.979 496 G CA -0.439 44.619 45.100 -0.069 0.000 0.650 496 G HN 0.206 nan 8.290 nan 0.000 0.529 497 F N 1.869 121.806 119.950 -0.021 0.000 2.538 497 F HA 0.521 5.049 4.527 0.002 0.000 0.371 497 F C 1.188 176.969 175.800 -0.032 0.000 1.087 497 F CA 0.354 58.341 58.000 -0.022 0.000 1.250 497 F CB 0.815 39.779 39.000 -0.059 0.000 1.110 497 F HN 0.356 nan 8.300 nan 0.000 0.570 498 A N 3.173 126.108 122.820 0.192 0.000 2.371 498 A HA 0.165 4.486 4.320 0.002 0.000 0.257 498 A C 1.158 178.801 177.584 0.099 0.000 1.089 498 A CA -0.664 51.444 52.037 0.119 0.000 0.794 498 A CB 0.241 19.299 19.000 0.097 0.000 1.029 498 A HN 0.784 nan 8.150 nan 0.000 0.488 499 D N 1.829 122.264 120.400 0.060 0.000 2.149 499 D HA -0.159 4.482 4.640 0.002 0.000 0.198 499 D C 2.130 178.446 176.300 0.027 0.000 0.990 499 D CA 1.932 55.947 54.000 0.026 0.000 0.839 499 D CB -0.268 40.544 40.800 0.020 0.000 0.948 499 D HN 0.656 nan 8.370 nan 0.000 0.460 500 A N 0.663 123.509 122.820 0.043 0.000 1.933 500 A HA -0.183 4.138 4.320 0.002 0.000 0.218 500 A C 2.210 179.826 177.584 0.053 0.000 1.175 500 A CA 1.699 53.760 52.037 0.040 0.000 0.628 500 A CB -0.355 18.671 19.000 0.042 0.000 0.814 500 A HN 0.081 nan 8.150 nan 0.000 0.444 501 R N -0.057 120.498 120.500 0.092 0.000 2.073 501 R HA 0.064 4.405 4.340 0.002 0.000 0.229 501 R C 1.910 178.252 176.300 0.071 0.000 1.120 501 R CA 1.395 57.572 56.100 0.127 0.000 0.967 501 R CB -0.674 29.776 30.300 0.249 0.000 0.862 501 R HN 0.504 nan 8.270 nan 0.000 0.436 502 L N -0.121 121.118 121.223 0.027 0.000 2.046 502 L HA -0.092 4.249 4.340 0.002 0.000 0.208 502 L C 2.518 179.362 176.870 -0.042 0.000 1.077 502 L CA 1.342 56.140 54.840 -0.071 0.000 0.747 502 L CB -0.724 41.262 42.059 -0.121 0.000 0.896 502 L HN 0.313 nan 8.230 nan 0.000 0.432 503 A N 0.378 123.188 122.820 -0.016 0.000 1.883 503 A HA -0.246 4.075 4.320 0.002 0.000 0.217 503 A C 2.344 179.926 177.584 -0.003 0.000 1.186 503 A CA 1.905 53.934 52.037 -0.012 0.000 0.624 503 A CB -0.403 18.594 19.000 -0.006 0.000 0.822 503 A HN 0.316 nan 8.150 nan 0.000 0.444 504 K N -0.575 119.831 120.400 0.010 0.000 2.057 504 K HA -0.059 4.262 4.320 0.002 0.000 0.207 504 K C 1.837 178.445 176.600 0.013 0.000 1.049 504 K CA 1.432 57.729 56.287 0.016 0.000 0.931 504 K CB -0.362 32.158 32.500 0.032 0.000 0.714 504 K HN 0.473 nan 8.250 nan 0.000 0.440 505 L N -0.017 121.210 121.223 0.007 0.000 2.056 505 L HA -0.119 4.222 4.340 0.002 0.000 0.207 505 L C 2.128 178.995 176.870 -0.005 0.000 1.078 505 L CA 1.087 55.927 54.840 -0.000 0.000 0.749 505 L CB -0.257 41.786 42.059 -0.027 0.000 0.901 505 L HN 0.150 nan 8.230 nan 0.000 0.433 506 A N -0.363 122.449 122.820 -0.014 0.000 2.307 506 A HA 0.340 4.661 4.320 0.002 0.000 0.218 506 A C 1.484 179.066 177.584 -0.002 0.000 1.228 506 A CA 0.443 52.475 52.037 -0.007 0.000 0.857 506 A CB -0.643 18.349 19.000 -0.014 0.000 0.897 506 A HN 0.439 nan 8.150 nan 0.000 0.495 507 G N -0.177 108.623 108.800 -0.001 0.000 2.371 507 G HA2 -0.048 3.913 3.960 0.002 0.000 0.299 507 G HA3 -0.048 3.913 3.960 0.002 0.000 0.299 507 G C 0.205 175.104 174.900 -0.002 0.000 1.014 507 G CA 0.824 45.924 45.100 0.001 0.000 1.097 507 G HN 1.754 nan 8.290 nan 0.000 0.512 508 V N -4.146 115.765 119.914 -0.006 0.000 3.156 508 V HA 0.896 5.017 4.120 0.002 0.000 0.311 508 V C 0.441 176.530 176.094 -0.008 0.000 1.208 508 V CA -2.010 60.285 62.300 -0.009 0.000 1.063 508 V CB 1.352 33.166 31.823 -0.015 0.000 1.098 508 V HN 0.374 nan 8.190 nan 0.000 0.452 509 R N 0.001 120.495 120.500 -0.010 0.000 2.560 509 R HA 0.357 4.698 4.340 0.002 0.000 0.270 509 R C 1.265 177.559 176.300 -0.010 0.000 1.074 509 R CA 0.108 56.203 56.100 -0.008 0.000 1.140 509 R CB 0.818 31.114 30.300 -0.008 0.000 1.073 509 R HN 0.966 nan 8.270 nan 0.000 0.527 510 E N 1.721 121.918 120.200 -0.005 0.000 2.118 510 E HA -0.245 4.106 4.350 0.002 0.000 0.195 510 E C 1.493 178.088 176.600 -0.008 0.000 0.992 510 E CA 1.557 57.955 56.400 -0.003 0.000 0.804 510 E CB 0.027 29.730 29.700 0.005 0.000 0.741 510 E HN 0.721 nan 8.360 nan 0.000 0.458 511 A N 0.804 123.619 122.820 -0.008 0.000 2.019 511 A HA -0.208 4.113 4.320 0.002 0.000 0.219 511 A C 1.841 179.412 177.584 -0.022 0.000 1.164 511 A CA 1.504 53.535 52.037 -0.010 0.000 0.644 511 A CB -0.396 18.599 19.000 -0.008 0.000 0.805 511 A HN 0.348 nan 8.150 nan 0.000 0.449 512 E N -0.304 119.879 120.200 -0.027 0.000 2.106 512 E HA -0.123 4.228 4.350 0.002 0.000 0.192 512 E C 1.783 178.345 176.600 -0.063 0.000 0.984 512 E CA 0.960 57.335 56.400 -0.041 0.000 0.806 512 E CB -0.152 29.527 29.700 -0.035 0.000 0.750 512 E HN 0.555 nan 8.360 nan 0.000 0.458 513 I N 0.883 121.420 120.570 -0.055 0.000 2.202 513 I HA -0.222 3.949 4.170 0.002 0.000 0.242 513 I C 2.531 178.600 176.117 -0.081 0.000 1.091 513 I CA 1.210 62.467 61.300 -0.073 0.000 1.368 513 I CB -0.930 37.038 38.000 -0.053 0.000 1.058 513 I HN 0.082 nan 8.210 nan 0.000 0.410 514 R N 1.511 121.983 120.500 -0.047 0.000 2.094 514 R HA -0.206 4.135 4.340 0.002 0.000 0.239 514 R C 2.353 178.621 176.300 -0.053 0.000 1.137 514 R CA 1.796 57.879 56.100 -0.029 0.000 0.943 514 R CB -0.102 30.200 30.300 0.003 0.000 0.850 514 R HN 0.231 nan 8.270 nan 0.000 0.433 515 K N 0.013 120.378 120.400 -0.057 0.000 2.074 515 K HA -0.209 4.112 4.320 0.002 0.000 0.209 515 K C 2.068 178.580 176.600 -0.147 0.000 1.048 515 K CA 1.635 57.880 56.287 -0.070 0.000 0.926 515 K CB -0.308 32.154 32.500 -0.062 0.000 0.713 515 K HN 0.118 nan 8.250 nan 0.000 0.444 516 L N 1.505 122.594 121.223 -0.223 0.000 2.042 516 L HA -0.189 4.152 4.340 0.002 0.000 0.210 516 L C 2.189 178.725 176.870 -0.556 0.000 1.076 516 L CA 1.639 56.210 54.840 -0.449 0.000 0.749 516 L CB -0.237 41.590 42.059 -0.388 0.000 0.893 516 L HN 0.080 nan 8.230 nan 0.000 0.432 517 R N -0.743 119.584 120.500 -0.288 0.000 2.096 517 R HA -0.151 4.190 4.340 0.002 0.000 0.235 517 R C 2.001 178.171 176.300 -0.218 0.000 1.127 517 R CA 1.492 57.467 56.100 -0.208 0.000 0.968 517 R CB -0.528 29.666 30.300 -0.177 0.000 0.861 517 R HN 0.520 nan 8.270 nan 0.000 0.440 518 D N 0.430 120.752 120.400 -0.131 0.000 2.117 518 D HA -0.193 4.449 4.640 0.002 0.000 0.197 518 D C 1.900 178.229 176.300 0.048 0.000 0.987 518 D CA 1.114 55.144 54.000 0.050 0.000 0.829 518 D CB 0.078 40.927 40.800 0.081 0.000 0.961 518 D HN 0.301 nan 8.370 nan 0.000 0.460 519 Q N -0.359 119.402 119.800 -0.066 0.000 2.050 519 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 519 Q C 1.679 177.750 176.000 0.118 0.000 0.980 519 Q CA 1.222 57.003 55.803 -0.037 0.000 0.840 519 Q CB -0.014 28.608 28.738 -0.194 0.000 0.898 519 Q HN 0.329 nan 8.270 nan 0.000 0.424 520 Y N 0.597 120.899 120.300 0.003 0.000 2.583 520 Y HA -0.002 4.549 4.550 0.002 0.000 0.293 520 Y C 0.344 176.255 175.900 0.019 0.000 1.157 520 Y CA 0.815 58.917 58.100 0.004 0.000 1.315 520 Y CB -0.331 38.116 38.460 -0.022 0.000 1.021 520 Y HN 0.295 nan 8.280 nan 0.000 0.536 521 D N -0.449 120.066 120.400 0.192 0.000 2.746 521 D HA -0.207 4.434 4.640 0.002 0.000 0.236 521 D C -0.725 175.664 176.300 0.148 0.000 1.129 521 D CA 0.250 54.376 54.000 0.209 0.000 0.691 521 D CB -1.330 39.587 40.800 0.194 0.000 1.077 521 D HN 0.210 nan 8.370 nan 0.000 0.432 522 L N 2.450 123.640 121.223 -0.054 0.000 2.360 522 L HA 0.413 4.754 4.340 0.002 0.000 0.265 522 L C -0.843 175.903 176.870 -0.207 0.000 1.066 522 L CA -0.357 54.477 54.840 -0.011 0.000 0.929 522 L CB 0.478 42.601 42.059 0.107 0.000 1.306 522 L HN 0.110 nan 8.230 nan 0.000 0.434 523 H N 3.834 123.028 119.070 0.207 0.000 2.622 523 H HA 0.581 5.138 4.556 0.002 0.000 0.363 523 H C -2.477 172.673 175.328 -0.297 0.000 1.151 523 H CA -1.776 54.310 56.048 0.063 0.000 1.184 523 H CB 1.736 31.509 29.762 0.019 0.000 1.643 523 H HN 0.365 nan 8.280 nan 0.000 0.531 524 P HA 0.081 nan 4.420 nan 0.000 0.274 524 P C -0.229 176.682 177.300 -0.648 0.000 1.256 524 P CA -0.378 62.022 63.100 -1.167 0.000 0.795 524 P CB 1.089 32.161 31.700 -1.045 0.000 1.038 525 V N -2.052 117.497 119.914 -0.608 0.000 3.019 525 V HA 0.575 4.696 4.120 0.002 0.000 0.317 525 V C -1.002 174.729 176.094 -0.605 0.000 1.094 525 V CA -1.019 61.041 62.300 -0.401 0.000 1.000 525 V CB 1.214 32.928 31.823 -0.182 0.000 1.060 525 V HN 0.336 nan 8.190 nan 0.000 0.443 526 Y N 1.071 121.306 120.300 -0.109 0.000 2.352 526 Y HA 0.741 5.292 4.550 0.002 0.000 0.339 526 Y C 0.344 176.086 175.900 -0.264 0.000 0.992 526 Y CA -0.765 57.237 58.100 -0.163 0.000 1.100 526 Y CB 1.773 40.223 38.460 -0.017 0.000 1.192 526 Y HN 0.485 nan 8.280 nan 0.000 0.458 527 K N 3.183 123.330 120.400 -0.421 0.000 2.166 527 K HA 0.573 4.894 4.320 0.002 0.000 0.245 527 K C -0.379 175.968 176.600 -0.422 0.000 0.967 527 K CA -0.892 55.118 56.287 -0.463 0.000 0.863 527 K CB 1.826 33.958 32.500 -0.614 0.000 1.107 527 K HN 0.706 nan 8.250 nan 0.000 0.436 528 R N 0.271 120.669 120.500 -0.170 0.000 2.668 528 R HA 0.470 4.811 4.340 0.002 0.000 0.279 528 R C -0.316 175.988 176.300 0.006 0.000 0.976 528 R CA -1.097 54.953 56.100 -0.085 0.000 0.978 528 R CB 1.352 31.632 30.300 -0.035 0.000 1.133 528 R HN 0.188 nan 8.270 nan 0.000 0.484 529 V N 2.280 122.141 119.914 -0.089 0.000 2.583 529 V HA 0.022 4.143 4.120 0.002 0.000 0.287 529 V C 0.250 176.365 176.094 0.034 0.000 1.051 529 V CA 0.483 62.724 62.300 -0.100 0.000 1.010 529 V CB 1.197 32.607 31.823 -0.688 0.000 0.988 529 V HN 0.983 nan 8.190 nan 0.000 0.478 530 D N 0.579 121.060 120.400 0.135 0.000 2.480 530 D HA 0.035 4.676 4.640 0.002 0.000 0.276 530 D C 0.901 177.304 176.300 0.171 0.000 1.294 530 D CA 0.771 54.841 54.000 0.117 0.000 0.829 530 D CB 0.012 40.875 40.800 0.105 0.000 1.242 530 D HN 0.777 nan 8.370 nan 0.000 0.513 531 T N -1.981 112.711 114.554 0.230 0.000 7.679 531 T HA -0.361 3.990 4.350 0.002 0.000 0.300 531 T C 1.052 175.960 174.700 0.346 0.000 2.098 531 T CA 1.466 63.766 62.100 0.333 0.000 3.313 531 T CB -2.923 66.254 68.868 0.515 0.000 1.898 531 T HN 0.973 nan 8.240 nan 0.000 1.144 532 C N 0.464 119.906 119.300 0.237 0.000 3.101 532 C HA 0.883 5.344 4.460 0.002 0.000 0.253 532 C C 1.599 176.640 174.990 0.084 0.000 1.754 532 C CA -0.310 58.836 59.018 0.214 0.000 1.756 532 C CB -0.497 27.421 27.740 0.297 0.000 3.227 532 C HN 2.211 nan 8.230 nan 0.000 0.483 533 A N 0.227 123.080 122.820 0.054 0.000 2.745 533 A HA 0.248 4.569 4.320 0.002 0.000 0.296 533 A C 1.625 179.204 177.584 -0.008 0.000 1.500 533 A CA 1.645 53.686 52.037 0.006 0.000 0.766 533 A CB -1.822 17.161 19.000 -0.029 0.000 1.030 533 A HN 2.854 nan 8.150 nan 0.000 0.489 534 A N -2.274 120.552 122.820 0.010 0.000 3.172 534 A HA -0.319 4.002 4.320 0.002 0.000 0.263 534 A C 1.181 178.688 177.584 -0.128 0.000 1.215 534 A CA 2.220 54.242 52.037 -0.025 0.000 1.065 534 A CB -2.260 16.736 19.000 -0.007 0.000 1.148 534 A HN 1.716 nan 8.150 nan 0.000 0.904 535 E N -1.679 118.381 120.200 -0.233 0.000 2.204 535 E HA 0.084 4.435 4.350 0.002 0.000 0.194 535 E C 0.099 176.147 176.600 -0.920 0.000 0.989 535 E CA 1.026 57.071 56.400 -0.592 0.000 0.824 535 E CB 0.019 29.250 29.700 -0.781 0.000 0.756 535 E HN 0.764 nan 8.360 nan 0.000 0.477 536 F N -0.927 119.005 119.950 -0.030 0.000 2.599 536 F HA 0.533 5.061 4.527 0.002 0.000 0.311 536 F C 0.081 175.861 175.800 -0.034 0.000 1.076 536 F CA -1.190 56.785 58.000 -0.043 0.000 0.937 536 F CB 1.333 40.287 39.000 -0.078 0.000 1.282 536 F HN -0.210 nan 8.300 nan 0.000 0.460 537 A N 0.746 123.662 122.820 0.160 0.000 2.313 537 A HA 0.599 4.920 4.320 0.002 0.000 0.261 537 A C -0.159 177.462 177.584 0.062 0.000 1.090 537 A CA -0.127 51.957 52.037 0.079 0.000 0.807 537 A CB 0.641 19.672 19.000 0.050 0.000 1.055 537 A HN 0.712 nan 8.150 nan 0.000 0.492 538 T N -0.827 113.745 114.554 0.030 0.000 2.876 538 T HA 0.440 4.791 4.350 0.002 0.000 0.289 538 T C -0.407 174.289 174.700 -0.007 0.000 1.014 538 T CA -0.559 61.544 62.100 0.005 0.000 0.986 538 T CB 1.063 69.933 68.868 0.004 0.000 1.021 538 T HN 0.522 nan 8.240 nan 0.000 0.458 539 D N 2.253 122.640 120.400 -0.021 0.000 2.369 539 D HA 0.180 4.821 4.640 0.002 0.000 0.211 539 D C 0.296 176.583 176.300 -0.021 0.000 1.077 539 D CA 0.340 54.330 54.000 -0.018 0.000 0.842 539 D CB 0.685 41.473 40.800 -0.019 0.000 0.947 539 D HN 0.496 nan 8.370 nan 0.000 0.509 540 T N 0.271 114.803 114.554 -0.036 0.000 2.907 540 T HA 0.591 4.942 4.350 0.002 0.000 0.284 540 T C 0.112 174.808 174.700 -0.006 0.000 1.004 540 T CA -0.623 61.456 62.100 -0.035 0.000 1.063 540 T CB 2.222 71.018 68.868 -0.121 0.000 0.992 540 T HN -0.079 nan 8.240 nan 0.000 0.483 541 A N 2.801 125.627 122.820 0.010 0.000 2.923 541 A HA 0.441 4.762 4.320 0.002 0.000 0.343 541 A C -0.962 176.639 177.584 0.027 0.000 1.199 541 A CA -0.518 51.509 52.037 -0.016 0.000 0.878 541 A CB -0.206 18.757 19.000 -0.063 0.000 1.104 541 A HN 0.711 nan 8.150 nan 0.000 0.483 542 Y N 3.187 123.445 120.300 -0.070 0.000 2.491 542 Y HA 0.710 5.261 4.550 0.002 0.000 0.334 542 Y C -0.593 175.290 175.900 -0.028 0.000 0.969 542 Y CA -1.745 56.350 58.100 -0.007 0.000 1.241 542 Y CB 0.499 39.004 38.460 0.075 0.000 1.105 542 Y HN 0.580 nan 8.280 nan 0.000 0.503 543 M N 6.692 126.373 119.600 0.135 0.000 2.716 543 M HA 0.540 5.021 4.480 0.002 0.000 0.307 543 M C -1.488 174.945 176.300 0.222 0.000 1.223 543 M CA -1.099 54.198 55.300 -0.005 0.000 0.871 543 M CB 2.731 35.186 32.600 -0.241 0.000 1.739 543 M HN 0.494 nan 8.290 nan 0.000 0.475 544 Y N -1.654 118.738 120.300 0.155 0.000 2.562 544 Y HA 0.830 5.381 4.550 0.002 0.000 0.345 544 Y C -0.665 175.385 175.900 0.249 0.000 1.045 544 Y CA -1.401 56.828 58.100 0.214 0.000 1.028 544 Y CB 0.914 39.379 38.460 0.008 0.000 1.297 544 Y HN 0.729 nan 8.280 nan 0.000 0.463 545 S N 1.322 117.203 115.700 0.301 0.000 2.616 545 S HA 0.804 5.275 4.470 0.002 0.000 0.277 545 S C -0.386 174.208 174.600 -0.010 0.000 1.234 545 S CA -0.032 58.074 58.200 -0.157 0.000 1.028 545 S CB 1.737 64.801 63.200 -0.228 0.000 0.988 545 S HN 1.122 nan 8.310 nan 0.000 0.522 546 T N 0.574 115.006 114.554 -0.204 0.000 2.802 546 T HA 0.443 4.794 4.350 0.002 0.000 0.311 546 T C -2.203 172.370 174.700 -0.211 0.000 1.405 546 T CA -0.589 61.496 62.100 -0.025 0.000 1.016 546 T CB 0.752 69.689 68.868 0.115 0.000 1.352 546 T HN 0.594 nan 8.240 nan 0.000 0.498 547 Y N 2.134 122.431 120.300 -0.005 0.000 2.595 547 Y HA 0.603 5.154 4.550 0.002 0.000 0.336 547 Y C 0.747 176.651 175.900 0.006 0.000 0.996 547 Y CA -0.155 57.940 58.100 -0.009 0.000 1.260 547 Y CB 0.864 39.330 38.460 0.009 0.000 1.108 547 Y HN 0.637 nan 8.280 nan 0.000 0.509 548 E N 0.258 120.466 120.200 0.015 0.000 2.350 548 E HA 0.247 4.598 4.350 0.002 0.000 0.243 548 E C 0.337 176.946 176.600 0.016 0.000 0.959 548 E CA -0.559 55.865 56.400 0.039 0.000 0.883 548 E CB 1.163 30.883 29.700 0.034 0.000 1.820 548 E HN 0.296 nan 8.360 nan 0.000 0.441 549 E N 0.808 121.020 120.200 0.019 0.000 2.011 549 E HA -0.014 4.337 4.350 0.002 0.000 0.191 549 E C -0.117 176.486 176.600 0.005 0.000 0.980 549 E CA 0.860 57.270 56.400 0.017 0.000 0.814 549 E CB -0.036 29.678 29.700 0.023 0.000 0.775 549 E HN 0.353 nan 8.360 nan 0.000 0.454 550 E N 0.078 120.279 120.200 0.000 0.000 2.283 550 E HA 0.157 4.508 4.350 0.002 0.000 0.278 550 E C -1.115 175.477 176.600 -0.014 0.000 1.027 550 E CA -0.260 56.139 56.400 -0.002 0.000 0.843 550 E CB 1.132 30.833 29.700 0.002 0.000 1.062 550 E HN 0.086 nan 8.360 nan 0.000 0.401 551 C N 4.289 123.589 119.300 0.002 0.000 2.355 551 C HA 0.356 4.817 4.460 0.002 0.000 0.332 551 C C 0.510 175.516 174.990 0.027 0.000 1.255 551 C CA -0.305 58.723 59.018 0.017 0.000 1.792 551 C CB 0.352 28.122 27.740 0.050 0.000 2.300 551 C HN 0.942 nan 8.230 nan 0.000 0.515 552 E N 2.813 123.031 120.200 0.030 0.000 2.501 552 E HA 0.131 4.482 4.350 0.002 0.000 0.201 552 E C 1.573 178.189 176.600 0.026 0.000 1.016 552 E CA 0.278 56.687 56.400 0.015 0.000 0.920 552 E CB 0.526 30.216 29.700 -0.017 0.000 1.023 552 E HN 0.817 nan 8.360 nan 0.000 0.474 553 A N 2.072 124.937 122.820 0.074 0.000 1.865 553 A HA -0.246 4.075 4.320 0.002 0.000 0.217 553 A C 1.243 178.840 177.584 0.023 0.000 1.191 553 A CA 1.313 53.381 52.037 0.051 0.000 0.623 553 A CB -0.575 18.486 19.000 0.102 0.000 0.826 553 A HN 0.413 nan 8.150 nan 0.000 0.444 554 N N -0.559 118.159 118.700 0.031 0.000 2.678 554 N HA -0.107 4.634 4.740 0.002 0.000 0.268 554 N C -2.539 172.982 175.510 0.018 0.000 1.010 554 N CA 0.665 53.728 53.050 0.020 0.000 0.784 554 N CB -0.871 37.624 38.487 0.013 0.000 0.905 554 N HN 0.378 nan 8.380 nan 0.000 0.552 555 P HA 0.127 nan 4.420 nan 0.000 0.271 555 P C -0.265 177.046 177.300 0.018 0.000 1.218 555 P CA -0.309 62.806 63.100 0.025 0.000 0.780 555 P CB 0.757 32.472 31.700 0.025 0.000 0.901 556 S N -0.222 115.489 115.700 0.018 0.000 2.617 556 S HA 0.343 4.814 4.470 0.002 0.000 0.269 556 S C 0.977 175.585 174.600 0.012 0.000 1.292 556 S CA 0.188 58.397 58.200 0.014 0.000 1.010 556 S CB 0.631 63.840 63.200 0.015 0.000 0.944 556 S HN 0.652 nan 8.310 nan 0.000 0.536 557 T N -2.608 111.951 114.554 0.009 0.000 2.975 557 T HA 0.133 4.484 4.350 0.002 0.000 0.257 557 T C 0.870 175.573 174.700 0.005 0.000 1.003 557 T CA 0.277 62.381 62.100 0.007 0.000 0.932 557 T CB -0.154 68.716 68.868 0.005 0.000 1.087 557 T HN 0.501 nan 8.240 nan 0.000 0.512 558 D N 2.263 122.666 120.400 0.005 0.000 2.127 558 D HA -0.044 4.597 4.640 0.002 0.000 0.206 558 D C 0.925 177.224 176.300 -0.001 0.000 0.989 558 D CA 1.028 55.028 54.000 0.001 0.000 0.877 558 D CB 0.016 40.817 40.800 0.002 0.000 1.042 558 D HN 0.254 nan 8.370 nan 0.000 0.455 559 R N 1.143 121.646 120.500 0.005 0.000 2.641 559 R HA 0.174 4.515 4.340 0.002 0.000 0.269 559 R C 0.005 176.319 176.300 0.025 0.000 1.074 559 R CA -0.081 56.023 56.100 0.007 0.000 1.133 559 R CB 0.342 30.655 30.300 0.021 0.000 1.029 559 R HN 0.427 nan 8.270 nan 0.000 0.488 560 E N 2.669 122.888 120.200 0.030 0.000 2.289 560 E HA 0.179 4.530 4.350 0.002 0.000 0.278 560 E C -0.573 176.121 176.600 0.156 0.000 1.032 560 E CA -0.239 56.209 56.400 0.080 0.000 0.854 560 E CB 1.015 30.773 29.700 0.096 0.000 1.046 560 E HN 0.234 nan 8.360 nan 0.000 0.409 561 K N 2.555 123.027 120.400 0.120 0.000 2.203 561 K HA 0.561 4.882 4.320 0.002 0.000 0.251 561 K C -0.508 176.124 176.600 0.053 0.000 0.944 561 K CA -0.748 55.599 56.287 0.101 0.000 0.829 561 K CB 1.689 34.221 32.500 0.053 0.000 1.125 561 K HN 0.356 nan 8.250 nan 0.000 0.430 562 I N 2.752 123.328 120.570 0.009 0.000 2.478 562 I HA 0.296 4.467 4.170 0.002 0.000 0.287 562 I C -0.696 175.384 176.117 -0.060 0.000 1.042 562 I CA -0.609 60.641 61.300 -0.084 0.000 1.067 562 I CB 1.671 39.529 38.000 -0.237 0.000 1.233 562 I HN 0.607 nan 8.210 nan 0.000 0.431 563 M N 5.588 125.148 119.600 -0.067 0.000 2.209 563 M HA 0.430 4.911 4.480 0.002 0.000 0.355 563 M C -0.656 175.601 176.300 -0.072 0.000 1.171 563 M CA -0.584 54.684 55.300 -0.053 0.000 1.069 563 M CB 1.900 34.464 32.600 -0.060 0.000 1.622 563 M HN 0.243 nan 8.290 nan 0.000 0.459 564 V N 5.785 125.671 119.914 -0.047 0.000 2.357 564 V HA 0.401 4.522 4.120 0.002 0.000 0.284 564 V C -0.256 175.826 176.094 -0.020 0.000 1.018 564 V CA -0.729 61.544 62.300 -0.045 0.000 0.841 564 V CB 1.320 33.131 31.823 -0.020 0.000 0.991 564 V HN 0.700 nan 8.190 nan 0.000 0.437 565 L N 4.768 125.978 121.223 -0.022 0.000 2.276 565 L HA 0.617 4.958 4.340 0.002 0.000 0.286 565 L C 1.098 177.970 176.870 0.004 0.000 1.061 565 L CA -0.087 54.743 54.840 -0.016 0.000 0.807 565 L CB 0.952 42.996 42.059 -0.026 0.000 1.177 565 L HN 0.737 nan 8.230 nan 0.000 0.429 566 G N 1.420 110.213 108.800 -0.011 0.000 2.588 566 G HA2 0.375 4.336 3.960 0.002 0.000 0.281 566 G HA3 0.375 4.336 3.960 0.002 0.000 0.281 566 G C 0.792 175.680 174.900 -0.019 0.000 1.236 566 G CA -0.021 45.075 45.100 -0.007 0.000 0.969 566 G HN 0.779 nan 8.290 nan 0.000 0.504 567 G N -1.686 107.105 108.800 -0.014 0.000 3.088 567 G HA2 0.503 4.464 3.960 0.002 0.000 0.217 567 G HA3 0.503 4.464 3.960 0.002 0.000 0.217 567 G C 1.016 175.887 174.900 -0.049 0.000 1.159 567 G CA 0.854 45.931 45.100 -0.039 0.000 0.760 567 G HN 1.840 nan 8.290 nan 0.000 0.550 568 G N 0.695 109.460 108.800 -0.057 0.000 2.553 568 G HA2 -0.178 3.783 3.960 0.002 0.000 0.242 568 G HA3 -0.178 3.783 3.960 0.002 0.000 0.242 568 G C -2.437 172.433 174.900 -0.050 0.000 1.277 568 G CA -0.299 44.763 45.100 -0.063 0.000 0.910 568 G HN 0.360 nan 8.290 nan 0.000 0.576 569 P HA 0.188 nan 4.420 nan 0.000 0.269 569 P C -0.088 177.195 177.300 -0.029 0.000 1.209 569 P CA 0.067 63.145 63.100 -0.035 0.000 0.776 569 P CB 0.180 31.860 31.700 -0.034 0.000 0.876 570 N N 1.845 120.529 118.700 -0.027 0.000 2.503 570 N HA 0.432 5.173 4.740 0.002 0.000 0.267 570 N C -0.030 175.466 175.510 -0.024 0.000 1.214 570 N CA -0.263 52.782 53.050 -0.009 0.000 0.959 570 N CB 0.484 38.970 38.487 -0.003 0.000 1.142 570 N HN 0.334 nan 8.380 nan 0.000 0.455 571 R N 0.277 120.773 120.500 -0.007 0.000 2.733 571 R HA 0.421 4.762 4.340 0.002 0.000 0.272 571 R C -1.115 175.187 176.300 0.004 0.000 1.029 571 R CA -0.788 55.304 56.100 -0.013 0.000 0.888 571 R CB 0.696 30.983 30.300 -0.021 0.000 1.251 571 R HN 0.397 nan 8.270 nan 0.000 0.464 572 I N 1.938 122.508 120.570 0.002 0.000 2.668 572 I HA 0.150 4.321 4.170 0.002 0.000 0.285 572 I C 1.188 177.294 176.117 -0.019 0.000 1.168 572 I CA 1.915 63.213 61.300 -0.003 0.000 1.424 572 I CB 0.427 38.427 38.000 -0.001 0.000 1.377 572 I HN 0.974 nan 8.210 nan 0.000 0.560 573 G N 4.756 113.564 108.800 0.013 0.000 2.258 573 G HA2 -0.207 3.754 3.960 0.002 0.000 0.233 573 G HA3 -0.207 3.754 3.960 0.002 0.000 0.233 573 G C 0.351 175.355 174.900 0.174 0.000 1.006 573 G CA -0.416 44.711 45.100 0.045 0.000 0.620 573 G HN 0.529 nan 8.290 nan 0.000 0.511 574 Q N 1.240 121.120 119.800 0.133 0.000 2.831 574 Q HA 0.509 4.850 4.340 0.002 0.000 0.366 574 Q C 0.806 176.960 176.000 0.256 0.000 0.899 574 Q CA 0.338 56.247 55.803 0.177 0.000 0.987 574 Q CB 0.836 29.544 28.738 -0.049 0.000 1.382 574 Q HN 0.563 nan 8.270 nan 0.000 0.403 575 G N 0.287 109.270 108.800 0.305 0.000 2.531 575 G HA2 0.233 4.194 3.960 0.002 0.000 0.253 575 G HA3 0.233 4.194 3.960 0.002 0.000 0.253 575 G C 0.800 175.782 174.900 0.137 0.000 1.439 575 G CA -0.552 44.636 45.100 0.147 0.000 1.056 575 G HN 0.470 nan 8.290 nan 0.000 0.555 576 I N -0.238 120.355 120.570 0.038 0.000 2.567 576 I HA -0.128 4.043 4.170 0.002 0.000 0.257 576 I C 2.428 178.528 176.117 -0.028 0.000 1.184 576 I CA 1.238 62.554 61.300 0.026 0.000 1.451 576 I CB -0.033 37.978 38.000 0.019 0.000 1.089 576 I HN 0.506 nan 8.210 nan 0.000 0.441 577 E N 0.733 120.823 120.200 -0.185 0.000 2.058 577 E HA -0.238 4.113 4.350 0.002 0.000 0.194 577 E C 1.827 178.200 176.600 -0.379 0.000 0.997 577 E CA 1.767 57.933 56.400 -0.391 0.000 0.801 577 E CB -0.446 28.857 29.700 -0.662 0.000 0.746 577 E HN 0.495 nan 8.360 nan 0.000 0.450 578 F N 0.520 120.468 119.950 -0.003 0.000 2.234 578 F HA -0.080 4.448 4.527 0.002 0.000 0.299 578 F C 2.036 177.851 175.800 0.024 0.000 1.087 578 F CA 1.288 59.287 58.000 -0.002 0.000 1.340 578 F CB -0.480 38.518 39.000 -0.003 0.000 1.031 578 F HN 0.032 nan 8.300 nan 0.000 0.500 579 D N -1.207 119.293 120.400 0.167 0.000 2.149 579 D HA -0.238 4.403 4.640 0.002 0.000 0.201 579 D C 2.151 178.502 176.300 0.085 0.000 0.972 579 D CA 0.683 54.752 54.000 0.115 0.000 0.835 579 D CB -0.251 40.599 40.800 0.083 0.000 0.966 579 D HN 0.278 nan 8.370 nan 0.000 0.476 580 Y N 0.517 120.767 120.300 -0.083 0.000 2.165 580 Y HA -0.263 4.288 4.550 0.002 0.000 0.286 580 Y C 2.052 177.823 175.900 -0.215 0.000 1.155 580 Y CA 1.400 59.400 58.100 -0.167 0.000 1.164 580 Y CB -0.551 37.777 38.460 -0.220 0.000 0.978 580 Y HN 0.144 nan 8.280 nan 0.000 0.513 581 C N -0.604 118.713 119.300 0.029 0.000 2.432 581 C HA -0.221 4.240 4.460 0.002 0.000 0.277 581 C C 2.970 178.026 174.990 0.111 0.000 1.249 581 C CA 1.159 60.132 59.018 -0.075 0.000 1.725 581 C CB -1.652 25.929 27.740 -0.265 0.000 2.028 581 C HN 0.796 nan 8.230 nan 0.000 0.477 582 C N 0.309 119.709 119.300 0.167 0.000 2.413 582 C HA -0.091 4.370 4.460 0.002 0.000 0.276 582 C C 2.687 177.755 174.990 0.131 0.000 1.248 582 C CA 0.989 60.133 59.018 0.210 0.000 1.742 582 C CB -1.484 26.342 27.740 0.142 0.000 2.017 582 C HN 0.533 nan 8.230 nan 0.000 0.481 583 V N 0.165 120.111 119.914 0.052 0.000 2.255 583 V HA -0.285 3.836 4.120 0.002 0.000 0.247 583 V C 2.330 178.480 176.094 0.093 0.000 1.051 583 V CA 2.230 64.548 62.300 0.030 0.000 1.018 583 V CB -1.033 30.769 31.823 -0.034 0.000 0.641 583 V HN 0.659 nan 8.190 nan 0.000 0.445 584 H N -0.406 118.590 119.070 -0.123 0.000 2.387 584 H HA -0.134 4.423 4.556 0.002 0.000 0.299 584 H C 2.336 177.684 175.328 0.034 0.000 1.090 584 H CA 1.074 57.069 56.048 -0.089 0.000 1.332 584 H CB 0.055 29.739 29.762 -0.130 0.000 1.386 584 H HN 0.485 nan 8.280 nan 0.000 0.516 585 A N 0.215 123.192 122.820 0.262 0.000 1.902 585 A HA -0.205 4.116 4.320 0.002 0.000 0.217 585 A C 2.551 180.170 177.584 0.058 0.000 1.181 585 A CA 1.760 53.906 52.037 0.182 0.000 0.623 585 A CB -0.702 18.380 19.000 0.136 0.000 0.818 585 A HN 0.377 nan 8.150 nan 0.000 0.443 586 S N -0.273 115.461 115.700 0.058 0.000 2.348 586 S HA -0.119 4.352 4.470 0.002 0.000 0.221 586 S C 1.982 176.597 174.600 0.026 0.000 1.033 586 S CA 1.498 59.715 58.200 0.028 0.000 1.010 586 S CB -0.594 62.625 63.200 0.031 0.000 0.891 586 S HN 0.470 nan 8.310 nan 0.000 0.442 587 L N 1.353 122.588 121.223 0.019 0.000 2.012 587 L HA -0.099 4.242 4.340 0.002 0.000 0.210 587 L C 3.013 179.879 176.870 -0.008 0.000 1.073 587 L CA 1.471 56.307 54.840 -0.006 0.000 0.748 587 L CB -0.871 41.161 42.059 -0.046 0.000 0.891 587 L HN 0.419 nan 8.230 nan 0.000 0.431 588 A N 0.237 123.050 122.820 -0.013 0.000 1.873 588 A HA -0.116 4.205 4.320 0.002 0.000 0.215 588 A C 2.285 179.898 177.584 0.049 0.000 1.186 588 A CA 1.423 53.461 52.037 0.001 0.000 0.616 588 A CB -0.730 18.271 19.000 0.001 0.000 0.823 588 A HN 0.363 nan 8.150 nan 0.000 0.442 589 L N -1.134 120.117 121.223 0.046 0.000 2.141 589 L HA -0.128 4.213 4.340 0.002 0.000 0.209 589 L C 2.779 179.784 176.870 0.225 0.000 1.094 589 L CA 1.575 56.479 54.840 0.106 0.000 0.763 589 L CB -0.476 41.517 42.059 -0.110 0.000 0.908 589 L HN 0.489 nan 8.230 nan 0.000 0.437 590 R N 0.681 121.252 120.500 0.119 0.000 2.092 590 R HA -0.215 4.126 4.340 0.002 0.000 0.231 590 R C 2.163 178.507 176.300 0.074 0.000 1.119 590 R CA 1.588 57.748 56.100 0.101 0.000 0.970 590 R CB 0.010 30.347 30.300 0.061 0.000 0.864 590 R HN 0.236 nan 8.270 nan 0.000 0.440 591 E N 0.501 120.735 120.200 0.057 0.000 2.150 591 E HA -0.170 4.181 4.350 0.002 0.000 0.193 591 E C 0.941 177.565 176.600 0.039 0.000 0.985 591 E CA 1.657 58.077 56.400 0.034 0.000 0.814 591 E CB -0.036 29.674 29.700 0.016 0.000 0.752 591 E HN 0.297 nan 8.360 nan 0.000 0.466 592 D N -1.408 119.039 120.400 0.079 0.000 2.363 592 D HA 0.088 4.729 4.640 0.002 0.000 0.220 592 D C 1.007 177.303 176.300 -0.008 0.000 0.994 592 D CA 1.112 55.162 54.000 0.083 0.000 0.890 592 D CB 0.407 41.344 40.800 0.227 0.000 0.906 592 D HN 0.365 nan 8.370 nan 0.000 0.530 593 G N -1.136 107.669 108.800 0.008 0.000 2.179 593 G HA2 -0.271 3.690 3.960 0.002 0.000 0.220 593 G HA3 -0.271 3.690 3.960 0.002 0.000 0.220 593 G C 0.043 174.882 174.900 -0.102 0.000 0.990 593 G CA -0.294 44.760 45.100 -0.078 0.000 0.646 593 G HN 0.289 nan 8.290 nan 0.000 0.517 594 Y N 0.773 121.072 120.300 -0.003 0.000 2.298 594 Y HA 0.510 5.062 4.550 0.002 0.000 0.329 594 Y C 0.988 176.888 175.900 0.001 0.000 1.293 594 Y CA -0.044 58.054 58.100 -0.003 0.000 1.388 594 Y CB 0.653 39.109 38.460 -0.006 0.000 1.309 594 Y HN 0.181 nan 8.280 nan 0.000 0.544 595 E N 1.349 121.656 120.200 0.179 0.000 2.130 595 E HA 0.161 4.512 4.350 0.002 0.000 0.284 595 E C -0.946 175.716 176.600 0.103 0.000 1.018 595 E CA -0.560 55.903 56.400 0.106 0.000 0.817 595 E CB 0.489 30.232 29.700 0.072 0.000 1.078 595 E HN 0.642 nan 8.360 nan 0.000 0.396 596 T N 2.754 117.355 114.554 0.079 0.000 2.767 596 T HA 0.493 4.844 4.350 0.002 0.000 0.288 596 T C 0.082 174.813 174.700 0.052 0.000 0.963 596 T CA -0.712 61.419 62.100 0.052 0.000 1.019 596 T CB 0.383 69.274 68.868 0.038 0.000 0.923 596 T HN 0.326 nan 8.240 nan 0.000 0.468 597 I N 3.857 124.457 120.570 0.049 0.000 2.362 597 I HA 0.418 4.589 4.170 0.002 0.000 0.289 597 I C -0.229 175.930 176.117 0.069 0.000 0.994 597 I CA -0.975 60.375 61.300 0.084 0.000 1.158 597 I CB 1.866 39.927 38.000 0.103 0.000 1.315 597 I HN 0.575 nan 8.210 nan 0.000 0.451 598 M N 7.697 127.348 119.600 0.085 0.000 2.336 598 M HA 0.499 4.980 4.480 0.002 0.000 0.342 598 M C -1.344 175.006 176.300 0.084 0.000 1.128 598 M CA -0.341 54.991 55.300 0.054 0.000 1.016 598 M CB 1.555 34.169 32.600 0.023 0.000 1.665 598 M HN 0.280 nan 8.290 nan 0.000 0.445 599 V N 5.622 125.557 119.914 0.035 0.000 2.326 599 V HA 0.655 4.776 4.120 0.002 0.000 0.281 599 V C -0.602 175.462 176.094 -0.049 0.000 1.015 599 V CA -0.527 61.788 62.300 0.026 0.000 0.823 599 V CB 0.779 32.603 31.823 0.002 0.000 1.009 599 V HN 0.945 nan 8.190 nan 0.000 0.436 600 N N 2.609 121.229 118.700 -0.134 0.000 2.961 600 N HA 0.495 5.236 4.740 0.002 0.000 0.245 600 N C -0.319 174.825 175.510 -0.610 0.000 1.404 600 N CA -0.197 52.696 53.050 -0.262 0.000 0.880 600 N CB 2.011 40.376 38.487 -0.203 0.000 1.461 600 N HN 0.627 nan 8.380 nan 0.000 0.510 601 C N -0.282 118.669 119.300 -0.583 0.000 3.489 601 C HA 0.520 4.981 4.460 0.002 0.000 0.264 601 C C -0.031 174.754 174.990 -0.342 0.000 2.026 601 C CA -0.952 57.583 59.018 -0.805 0.000 1.705 601 C CB -1.487 26.112 27.740 -0.236 0.000 3.389 601 C HN 0.588 nan 8.230 nan 0.000 0.459 602 N N 3.175 121.707 118.700 -0.279 0.000 2.406 602 N HA 0.319 5.060 4.740 0.002 0.000 0.251 602 N C -1.128 174.408 175.510 0.043 0.000 1.069 602 N CA -2.009 50.999 53.050 -0.070 0.000 0.947 602 N CB 1.640 40.080 38.487 -0.078 0.000 1.111 602 N HN 0.281 nan 8.380 nan 0.000 0.497 603 P HA -0.049 nan 4.420 nan 0.000 0.226 603 P C 0.111 177.345 177.300 -0.109 0.000 1.153 603 P CA 1.095 64.280 63.100 0.142 0.000 0.777 603 P CB 0.398 32.154 31.700 0.093 0.000 0.794 604 E N -0.056 120.075 120.200 -0.114 0.000 2.481 604 E HA 0.004 4.355 4.350 0.002 0.000 0.195 604 E C 0.856 177.355 176.600 -0.169 0.000 1.047 604 E CA 0.404 56.702 56.400 -0.171 0.000 0.867 604 E CB -0.233 29.400 29.700 -0.111 0.000 0.858 604 E HN 0.360 nan 8.360 nan 0.000 0.513 605 T N -2.564 111.898 114.554 -0.154 0.000 2.934 605 T HA 0.235 4.586 4.350 0.002 0.000 0.283 605 T C 1.222 175.893 174.700 -0.048 0.000 1.005 605 T CA -0.809 61.251 62.100 -0.067 0.000 1.041 605 T CB 1.984 70.827 68.868 -0.041 0.000 1.042 605 T HN -0.217 nan 8.240 nan 0.000 0.505 606 V N 2.028 121.993 119.914 0.084 0.000 2.667 606 V HA -0.104 4.017 4.120 0.002 0.000 0.252 606 V C 2.986 179.105 176.094 0.042 0.000 1.065 606 V CA 1.977 64.359 62.300 0.138 0.000 1.083 606 V CB -0.882 31.009 31.823 0.114 0.000 0.692 606 V HN 1.094 nan 8.190 nan 0.000 0.468 607 S N 0.847 116.552 115.700 0.007 0.000 2.399 607 S HA -0.173 4.298 4.470 0.002 0.000 0.231 607 S C 1.767 176.337 174.600 -0.049 0.000 1.022 607 S CA 1.587 59.779 58.200 -0.014 0.000 0.983 607 S CB -0.735 62.458 63.200 -0.012 0.000 0.803 607 S HN 0.704 nan 8.310 nan 0.000 0.480 608 T N -0.868 113.642 114.554 -0.072 0.000 3.244 608 T HA 0.217 4.568 4.350 0.002 0.000 0.254 608 T C -0.097 174.545 174.700 -0.097 0.000 1.024 608 T CA -0.398 61.658 62.100 -0.073 0.000 0.920 608 T CB -0.272 68.576 68.868 -0.033 0.000 1.042 608 T HN 0.286 nan 8.240 nan 0.000 0.572 609 D N 1.374 121.722 120.400 -0.085 0.000 2.249 609 D HA 0.098 4.739 4.640 0.002 0.000 0.246 609 D C 1.125 177.302 176.300 -0.205 0.000 1.114 609 D CA -0.942 52.988 54.000 -0.116 0.000 0.854 609 D CB 0.878 41.699 40.800 0.035 0.000 1.132 609 D HN 0.429 nan 8.370 nan 0.000 0.461 610 Y N 2.069 122.306 120.300 -0.105 0.000 2.298 610 Y HA -0.149 4.402 4.550 0.002 0.000 0.287 610 Y C 1.414 177.301 175.900 -0.021 0.000 1.164 610 Y CA 0.842 58.878 58.100 -0.105 0.000 1.229 610 Y CB -0.502 37.922 38.460 -0.060 0.000 0.977 610 Y HN 0.256 nan 8.280 nan 0.000 0.538 611 D N 0.539 120.875 120.400 -0.106 0.000 2.144 611 D HA -0.126 4.515 4.640 0.002 0.000 0.199 611 D C 1.941 178.250 176.300 0.015 0.000 0.984 611 D CA 1.933 55.936 54.000 0.005 0.000 0.834 611 D CB -0.338 40.408 40.800 -0.090 0.000 0.955 611 D HN 0.515 nan 8.370 nan 0.000 0.465 612 T N -0.224 114.324 114.554 -0.011 0.000 2.929 612 T HA -0.059 4.292 4.350 0.002 0.000 0.271 612 T C 1.192 175.904 174.700 0.021 0.000 1.085 612 T CA 0.960 63.063 62.100 0.005 0.000 1.125 612 T CB 0.030 68.898 68.868 0.000 0.000 0.874 612 T HN 0.222 nan 8.240 nan 0.000 0.494 613 S N -0.498 115.221 115.700 0.031 0.000 2.720 613 S HA 0.410 4.881 4.470 0.002 0.000 0.287 613 S C -0.108 174.521 174.600 0.049 0.000 1.168 613 S CA -0.956 57.267 58.200 0.038 0.000 0.832 613 S CB 1.555 64.775 63.200 0.033 0.000 1.166 613 S HN -0.074 nan 8.310 nan 0.000 0.493 614 D N 0.570 120.998 120.400 0.047 0.000 2.162 614 D HA 0.104 4.745 4.640 0.002 0.000 0.203 614 D C 0.195 176.517 176.300 0.036 0.000 0.967 614 D CA 1.079 55.107 54.000 0.046 0.000 0.840 614 D CB 0.144 40.971 40.800 0.046 0.000 0.972 614 D HN 0.408 nan 8.370 nan 0.000 0.482 615 R N -0.025 120.494 120.500 0.033 0.000 2.621 615 R HA 0.506 4.847 4.340 0.002 0.000 0.284 615 R C -1.348 174.951 176.300 -0.002 0.000 0.998 615 R CA -0.780 55.315 56.100 -0.007 0.000 0.895 615 R CB 2.416 32.713 30.300 -0.004 0.000 1.195 615 R HN -0.101 nan 8.270 nan 0.000 0.450 616 L N 2.640 123.825 121.223 -0.064 0.000 2.349 616 L HA 0.466 4.807 4.340 0.002 0.000 0.278 616 L C -1.747 175.080 176.870 -0.073 0.000 0.996 616 L CA -0.504 54.329 54.840 -0.012 0.000 0.825 616 L CB 1.114 43.164 42.059 -0.015 0.000 1.243 616 L HN 0.523 nan 8.230 nan 0.000 0.412 617 Y N 5.242 125.596 120.300 0.090 0.000 2.417 617 Y HA 0.340 4.891 4.550 0.002 0.000 0.336 617 Y C -0.412 175.595 175.900 0.178 0.000 0.961 617 Y CA -0.132 58.046 58.100 0.131 0.000 1.215 617 Y CB 1.134 39.607 38.460 0.022 0.000 1.120 617 Y HN 0.556 nan 8.280 nan 0.000 0.499 618 F N 4.871 125.005 119.950 0.307 0.000 2.605 618 F HA 0.285 4.813 4.527 0.002 0.000 0.352 618 F C -0.081 175.860 175.800 0.235 0.000 1.236 618 F CA -0.225 57.933 58.000 0.263 0.000 1.267 618 F CB -0.313 38.915 39.000 0.381 0.000 1.632 618 F HN 0.427 nan 8.300 nan 0.000 0.639 619 E N 3.593 123.911 120.200 0.195 0.000 2.392 619 E HA 0.385 4.736 4.350 0.002 0.000 0.269 619 E C -2.697 173.949 176.600 0.077 0.000 0.924 619 E CA -2.322 54.201 56.400 0.206 0.000 0.784 619 E CB 1.465 31.311 29.700 0.242 0.000 1.292 619 E HN 0.073 nan 8.360 nan 0.000 0.447 620 P HA 0.037 nan 4.420 nan 0.000 0.268 620 P C -0.136 177.178 177.300 0.024 0.000 1.205 620 P CA -0.138 62.988 63.100 0.043 0.000 0.771 620 P CB 0.386 32.120 31.700 0.056 0.000 0.858 621 V N 3.696 123.607 119.914 -0.006 0.000 2.223 621 V HA 0.199 4.320 4.120 0.002 0.000 0.249 621 V C 0.849 176.940 176.094 -0.005 0.000 1.233 621 V CA 0.241 62.533 62.300 -0.013 0.000 1.131 621 V CB -1.028 30.776 31.823 -0.033 0.000 1.298 621 V HN 0.720 nan 8.190 nan 0.000 0.498 622 T N 0.209 114.768 114.554 0.009 0.000 2.901 622 T HA 0.544 4.895 4.350 0.002 0.000 0.293 622 T C 0.574 175.282 174.700 0.012 0.000 1.084 622 T CA -0.696 61.411 62.100 0.012 0.000 1.008 622 T CB 2.077 70.962 68.868 0.027 0.000 1.170 622 T HN 0.097 nan 8.240 nan 0.000 0.509 623 L N 0.983 122.212 121.223 0.011 0.000 1.989 623 L HA 0.010 4.351 4.340 0.002 0.000 0.211 623 L C 2.692 179.577 176.870 0.026 0.000 1.071 623 L CA 2.490 57.336 54.840 0.011 0.000 0.749 623 L CB -0.825 41.239 42.059 0.009 0.000 0.890 623 L HN 1.006 nan 8.230 nan 0.000 0.431 624 E N -0.733 119.490 120.200 0.039 0.000 2.049 624 E HA -0.271 4.080 4.350 0.002 0.000 0.198 624 E C 1.707 178.353 176.600 0.076 0.000 1.007 624 E CA 1.886 58.323 56.400 0.062 0.000 0.809 624 E CB -0.229 29.516 29.700 0.075 0.000 0.749 624 E HN 0.637 nan 8.360 nan 0.000 0.450 625 D N 0.083 120.526 120.400 0.073 0.000 2.144 625 D HA -0.123 4.518 4.640 0.002 0.000 0.200 625 D C 2.158 178.486 176.300 0.047 0.000 0.978 625 D CA 1.019 55.072 54.000 0.088 0.000 0.833 625 D CB 0.045 40.909 40.800 0.107 0.000 0.961 625 D HN 0.179 nan 8.370 nan 0.000 0.470 626 V N 1.568 121.488 119.914 0.011 0.000 2.379 626 V HA -0.176 3.945 4.120 0.002 0.000 0.245 626 V C 2.667 178.734 176.094 -0.044 0.000 1.044 626 V CA 0.932 63.210 62.300 -0.037 0.000 1.036 626 V CB -0.389 31.412 31.823 -0.035 0.000 0.664 626 V HN 0.163 nan 8.190 nan 0.000 0.453 627 L N -0.364 120.855 121.223 -0.006 0.000 2.083 627 L HA -0.143 4.198 4.340 0.002 0.000 0.209 627 L C 2.728 179.603 176.870 0.009 0.000 1.083 627 L CA 1.276 56.116 54.840 0.000 0.000 0.752 627 L CB -0.573 41.501 42.059 0.025 0.000 0.899 627 L HN 0.344 nan 8.230 nan 0.000 0.433 628 E N 0.189 120.419 120.200 0.050 0.000 2.153 628 E HA -0.175 4.176 4.350 0.002 0.000 0.194 628 E C 2.237 178.853 176.600 0.028 0.000 0.988 628 E CA 1.170 57.627 56.400 0.094 0.000 0.811 628 E CB -0.088 29.723 29.700 0.185 0.000 0.746 628 E HN 0.553 nan 8.360 nan 0.000 0.466 629 I N 0.312 120.817 120.570 -0.109 0.000 2.233 629 I HA -0.217 3.954 4.170 0.002 0.000 0.243 629 I C 2.432 178.385 176.117 -0.273 0.000 1.093 629 I CA 0.603 61.663 61.300 -0.400 0.000 1.380 629 I CB -0.266 37.320 38.000 -0.690 0.000 1.067 629 I HN -0.086 nan 8.210 nan 0.000 0.413 630 V N 1.319 121.128 119.914 -0.175 0.000 2.332 630 V HA -0.328 3.793 4.120 0.002 0.000 0.248 630 V C 2.669 178.711 176.094 -0.087 0.000 1.055 630 V CA 2.339 64.569 62.300 -0.117 0.000 1.038 630 V CB -0.877 30.899 31.823 -0.079 0.000 0.651 630 V HN 0.482 nan 8.190 nan 0.000 0.450 631 R N 1.059 121.517 120.500 -0.070 0.000 2.133 631 R HA -0.209 4.132 4.340 0.002 0.000 0.247 631 R C 2.115 178.374 176.300 -0.068 0.000 1.151 631 R CA 2.676 58.737 56.100 -0.064 0.000 0.971 631 R CB -0.471 29.787 30.300 -0.070 0.000 0.866 631 R HN 0.723 nan 8.270 nan 0.000 0.447 632 I N -3.199 117.330 120.570 -0.069 0.000 3.708 632 I HA 0.190 4.361 4.170 0.002 0.000 0.302 632 I C 1.282 177.370 176.117 -0.049 0.000 1.255 632 I CA 0.173 61.445 61.300 -0.048 0.000 1.362 632 I CB 0.154 38.148 38.000 -0.010 0.000 1.100 632 I HN -0.033 nan 8.210 nan 0.000 0.434 633 E N 1.971 122.124 120.200 -0.079 0.000 2.140 633 E HA -0.017 4.334 4.350 0.002 0.000 0.191 633 E C 0.154 176.734 176.600 -0.033 0.000 0.973 633 E CA 0.266 56.636 56.400 -0.051 0.000 0.829 633 E CB 0.014 29.669 29.700 -0.074 0.000 0.781 633 E HN 0.423 nan 8.360 nan 0.000 0.466 634 K N 1.091 121.465 120.400 -0.043 0.000 3.257 634 K HA -0.128 4.193 4.320 0.002 0.000 0.270 634 K C -2.462 174.127 176.600 -0.018 0.000 0.984 634 K CA 0.326 56.596 56.287 -0.029 0.000 0.739 634 K CB -1.218 31.271 32.500 -0.019 0.000 1.351 634 K HN 0.241 nan 8.250 nan 0.000 0.463 635 P HA -0.077 nan 4.420 nan 0.000 0.271 635 P C 0.393 177.691 177.300 -0.003 0.000 1.233 635 P CA -0.068 63.026 63.100 -0.011 0.000 0.789 635 P CB 0.915 32.597 31.700 -0.029 0.000 0.951 636 K N 0.111 120.520 120.400 0.014 0.000 2.103 636 K HA 0.058 4.380 4.320 0.002 0.000 0.204 636 K C 0.847 177.442 176.600 -0.008 0.000 1.052 636 K CA 1.231 57.531 56.287 0.021 0.000 0.945 636 K CB -0.284 32.257 32.500 0.069 0.000 0.722 636 K HN 0.715 nan 8.250 nan 0.000 0.443 637 G N -0.487 108.292 108.800 -0.035 0.000 2.692 637 G HA2 0.489 4.450 3.960 0.002 0.000 0.291 637 G HA3 0.489 4.450 3.960 0.002 0.000 0.291 637 G C -1.908 172.943 174.900 -0.081 0.000 1.423 637 G CA -0.653 44.409 45.100 -0.063 0.000 0.843 637 G HN -0.036 nan 8.290 nan 0.000 0.486 638 V N 1.026 120.890 119.914 -0.084 0.000 2.588 638 V HA 0.466 4.587 4.120 0.002 0.000 0.304 638 V C -0.370 175.660 176.094 -0.107 0.000 1.042 638 V CA -0.580 61.667 62.300 -0.088 0.000 0.877 638 V CB 1.734 33.516 31.823 -0.068 0.000 0.996 638 V HN 0.647 nan 8.190 nan 0.000 0.425 639 I N 5.179 125.670 120.570 -0.131 0.000 2.304 639 I HA 0.263 4.434 4.170 0.002 0.000 0.291 639 I C 0.787 176.839 176.117 -0.108 0.000 1.018 639 I CA -0.229 60.969 61.300 -0.171 0.000 1.260 639 I CB 1.693 39.515 38.000 -0.297 0.000 1.390 639 I HN 0.599 nan 8.210 nan 0.000 0.475 640 V N 2.173 122.042 119.914 -0.075 0.000 3.528 640 V HA 0.179 4.301 4.120 0.002 0.000 0.294 640 V C 0.988 177.090 176.094 0.014 0.000 1.404 640 V CA 0.260 62.543 62.300 -0.029 0.000 1.065 640 V CB 0.073 31.877 31.823 -0.031 0.000 0.904 640 V HN 0.768 nan 8.190 nan 0.000 0.435 641 Q N -0.979 118.848 119.800 0.044 0.000 2.319 641 Q HA 0.330 4.671 4.340 0.002 0.000 0.202 641 Q C 1.261 177.488 176.000 0.377 0.000 0.896 641 Q CA 0.517 56.415 55.803 0.159 0.000 0.942 641 Q CB 0.055 28.886 28.738 0.155 0.000 1.083 641 Q HN 0.721 nan 8.270 nan 0.000 0.510 642 Y N -1.115 119.210 120.300 0.042 0.000 2.507 642 Y HA 0.345 4.896 4.550 0.002 0.000 0.263 642 Y C 1.961 177.938 175.900 0.129 0.000 1.093 642 Y CA 0.182 58.340 58.100 0.095 0.000 1.285 642 Y CB 0.056 38.558 38.460 0.071 0.000 1.115 642 Y HN 0.115 nan 8.280 nan 0.000 0.533 643 G N -0.542 108.369 108.800 0.185 0.000 3.233 643 G HA2 0.423 4.384 3.960 0.002 0.000 0.227 643 G HA3 0.423 4.384 3.960 0.002 0.000 0.227 643 G C 0.848 175.681 174.900 -0.112 0.000 1.175 643 G CA 0.494 45.644 45.100 0.083 0.000 0.781 643 G HN 0.587 nan 8.290 nan 0.000 0.542 644 G N -0.115 108.517 108.800 -0.280 0.000 2.545 644 G HA2 -0.242 3.719 3.960 0.002 0.000 0.216 644 G HA3 -0.242 3.719 3.960 0.002 0.000 0.216 644 G C 0.691 175.386 174.900 -0.341 0.000 1.314 644 G CA 0.119 44.810 45.100 -0.682 0.000 0.906 644 G HN 0.086 nan 8.290 nan 0.000 0.563 645 Q N -0.422 119.184 119.800 -0.324 0.000 2.167 645 Q HA -0.034 4.307 4.340 0.002 0.000 0.202 645 Q C 2.889 178.812 176.000 -0.127 0.000 0.970 645 Q CA 2.099 57.790 55.803 -0.186 0.000 0.855 645 Q CB -0.764 27.879 28.738 -0.159 0.000 0.911 645 Q HN 0.702 nan 8.270 nan 0.000 0.438 646 T N 2.292 116.769 114.554 -0.128 0.000 2.516 646 T HA -0.138 4.213 4.350 0.002 0.000 0.261 646 T C -1.027 173.633 174.700 -0.066 0.000 1.130 646 T CA 2.094 64.143 62.100 -0.085 0.000 1.193 646 T CB -1.219 67.601 68.868 -0.080 0.000 0.864 646 T HN 0.273 nan 8.240 nan 0.000 0.410 647 P HA 0.048 nan 4.420 nan 0.000 0.223 647 P C 1.625 178.900 177.300 -0.041 0.000 1.151 647 P CA 0.609 63.683 63.100 -0.042 0.000 0.787 647 P CB -0.193 31.490 31.700 -0.029 0.000 0.788 648 L N 0.108 121.298 121.223 -0.054 0.000 2.079 648 L HA -0.100 4.241 4.340 0.002 0.000 0.210 648 L C 2.224 179.069 176.870 -0.042 0.000 1.081 648 L CA 1.973 56.785 54.840 -0.047 0.000 0.752 648 L CB -0.869 41.151 42.059 -0.064 0.000 0.896 648 L HN -0.167 nan 8.230 nan 0.000 0.433 649 K N -1.228 119.144 120.400 -0.047 0.000 2.432 649 K HA 0.047 4.368 4.320 0.002 0.000 0.196 649 K C 1.650 178.232 176.600 -0.030 0.000 1.038 649 K CA 0.538 56.802 56.287 -0.039 0.000 0.986 649 K CB 0.072 32.547 32.500 -0.042 0.000 0.782 649 K HN 0.325 nan 8.250 nan 0.000 0.485 650 L N -0.343 120.863 121.223 -0.029 0.000 2.567 650 L HA 0.135 4.476 4.340 0.002 0.000 0.225 650 L C 2.191 179.048 176.870 -0.022 0.000 1.119 650 L CA -0.065 54.761 54.840 -0.023 0.000 0.871 650 L CB -0.266 41.779 42.059 -0.023 0.000 1.036 650 L HN 0.093 nan 8.230 nan 0.000 0.459 651 A N 1.124 123.930 122.820 -0.024 0.000 1.881 651 A HA -0.300 4.021 4.320 0.002 0.000 0.219 651 A C 2.414 179.987 177.584 -0.018 0.000 1.215 651 A CA 2.135 54.159 52.037 -0.022 0.000 0.648 651 A CB -0.515 18.472 19.000 -0.021 0.000 0.832 651 A HN 0.329 nan 8.150 nan 0.000 0.455 652 R N -1.070 119.420 120.500 -0.016 0.000 2.070 652 R HA -0.075 4.266 4.340 0.002 0.000 0.233 652 R C 2.560 178.853 176.300 -0.012 0.000 1.137 652 R CA 1.381 57.473 56.100 -0.013 0.000 0.945 652 R CB -0.501 29.792 30.300 -0.012 0.000 0.845 652 R HN 0.538 nan 8.270 nan 0.000 0.430 653 A N 0.854 123.667 122.820 -0.012 0.000 1.940 653 A HA -0.152 4.169 4.320 0.002 0.000 0.219 653 A C 2.142 179.720 177.584 -0.009 0.000 1.176 653 A CA 1.242 53.273 52.037 -0.009 0.000 0.631 653 A CB -0.541 18.454 19.000 -0.008 0.000 0.814 653 A HN 0.213 nan 8.150 nan 0.000 0.446 654 L N -1.154 120.061 121.223 -0.013 0.000 2.017 654 L HA -0.202 4.139 4.340 0.002 0.000 0.208 654 L C 2.661 179.522 176.870 -0.015 0.000 1.073 654 L CA 1.916 56.747 54.840 -0.016 0.000 0.745 654 L CB -0.498 41.547 42.059 -0.022 0.000 0.894 654 L HN 0.530 nan 8.230 nan 0.000 0.432 655 E N 0.148 120.339 120.200 -0.015 0.000 2.051 655 E HA -0.236 4.115 4.350 0.002 0.000 0.192 655 E C 2.230 178.824 176.600 -0.009 0.000 0.991 655 E CA 1.120 57.512 56.400 -0.013 0.000 0.799 655 E CB -0.056 29.637 29.700 -0.012 0.000 0.748 655 E HN 0.442 nan 8.360 nan 0.000 0.449 656 A N 0.726 123.541 122.820 -0.008 0.000 2.032 656 A HA -0.125 4.196 4.320 0.002 0.000 0.221 656 A C 2.117 179.698 177.584 -0.004 0.000 1.165 656 A CA 1.698 53.731 52.037 -0.006 0.000 0.645 656 A CB -0.484 18.513 19.000 -0.005 0.000 0.807 656 A HN 0.347 nan 8.150 nan 0.000 0.453 657 A N -1.868 120.949 122.820 -0.005 0.000 2.337 657 A HA 0.453 4.774 4.320 0.002 0.000 0.227 657 A C 1.586 179.166 177.584 -0.005 0.000 1.259 657 A CA 0.967 53.002 52.037 -0.003 0.000 0.870 657 A CB -0.965 18.035 19.000 -0.000 0.000 0.927 657 A HN 1.876 nan 8.150 nan 0.000 0.497 658 G N -0.970 107.825 108.800 -0.007 0.000 2.143 658 G HA2 -0.202 3.759 3.960 0.002 0.000 0.248 658 G HA3 -0.202 3.759 3.960 0.002 0.000 0.248 658 G C 0.170 175.062 174.900 -0.014 0.000 0.991 658 G CA 0.144 45.239 45.100 -0.009 0.000 0.689 658 G HN 0.783 nan 8.290 nan 0.000 0.522 659 V N 1.738 121.642 119.914 -0.017 0.000 2.637 659 V HA 0.351 4.472 4.120 0.002 0.000 0.296 659 V C -1.093 174.986 176.094 -0.024 0.000 1.046 659 V CA -0.798 61.488 62.300 -0.024 0.000 1.066 659 V CB 1.246 33.052 31.823 -0.028 0.000 0.968 659 V HN 0.230 nan 8.190 nan 0.000 0.483 660 P HA 0.166 nan 4.420 nan 0.000 0.244 660 P C -0.392 176.886 177.300 -0.037 0.000 1.769 660 P CA -0.093 62.991 63.100 -0.027 0.000 1.102 660 P CB 0.154 31.839 31.700 -0.024 0.000 1.937 661 V N 5.309 125.202 119.914 -0.035 0.000 2.479 661 V HA 0.068 4.189 4.120 0.002 0.000 0.281 661 V C 1.268 177.335 176.094 -0.045 0.000 1.031 661 V CA -0.167 62.108 62.300 -0.043 0.000 1.038 661 V CB 0.049 31.852 31.823 -0.034 0.000 0.981 661 V HN 0.358 nan 8.190 nan 0.000 0.478 662 I N 2.590 123.121 120.570 -0.066 0.000 2.918 662 I HA 0.995 5.166 4.170 0.002 0.000 0.316 662 I C 0.749 176.825 176.117 -0.069 0.000 1.001 662 I CA -0.103 61.156 61.300 -0.069 0.000 1.142 662 I CB 1.259 39.205 38.000 -0.091 0.000 1.356 662 I HN 0.843 nan 8.210 nan 0.000 0.524 663 G N 2.164 110.930 108.800 -0.055 0.000 2.698 663 G HA2 -0.198 3.763 3.960 0.002 0.000 0.233 663 G HA3 -0.198 3.763 3.960 0.002 0.000 0.233 663 G C -0.114 174.776 174.900 -0.016 0.000 1.352 663 G CA -0.264 44.812 45.100 -0.039 0.000 0.879 663 G HN 1.002 nan 8.290 nan 0.000 0.567 664 T N 1.323 115.876 114.554 -0.002 0.000 2.800 664 T HA 0.373 4.724 4.350 0.002 0.000 0.283 664 T C 1.430 176.130 174.700 0.000 0.000 0.999 664 T CA 0.964 63.067 62.100 0.006 0.000 1.176 664 T CB 0.090 68.968 68.868 0.015 0.000 0.973 664 T HN 1.907 nan 8.240 nan 0.000 0.519 665 S N 4.533 120.235 115.700 0.003 0.000 2.569 665 S HA 0.083 4.554 4.470 0.002 0.000 0.274 665 S C -1.561 173.038 174.600 -0.002 0.000 1.353 665 S CA -1.138 57.062 58.200 0.000 0.000 1.023 665 S CB 0.528 63.731 63.200 0.005 0.000 0.876 665 S HN 0.370 nan 8.310 nan 0.000 0.540 666 P HA -0.023 nan 4.420 nan 0.000 0.219 666 P C 0.911 178.208 177.300 -0.005 0.000 1.150 666 P CA 1.343 64.438 63.100 -0.008 0.000 0.814 666 P CB -0.098 31.596 31.700 -0.011 0.000 0.787 667 D N -0.283 120.116 120.400 -0.000 0.000 2.123 667 D HA -0.108 4.533 4.640 0.002 0.000 0.200 667 D C 1.975 178.280 176.300 0.008 0.000 0.976 667 D CA 1.249 55.251 54.000 0.003 0.000 0.831 667 D CB -0.542 40.261 40.800 0.005 0.000 0.974 667 D HN -0.068 nan 8.370 nan 0.000 0.469 668 A N 0.393 123.220 122.820 0.012 0.000 1.883 668 A HA -0.164 4.157 4.320 0.002 0.000 0.217 668 A C 2.402 179.994 177.584 0.015 0.000 1.186 668 A CA 1.433 53.482 52.037 0.020 0.000 0.624 668 A CB -0.986 18.026 19.000 0.021 0.000 0.822 668 A HN 0.397 nan 8.150 nan 0.000 0.444 669 I N -0.393 120.180 120.570 0.004 0.000 2.151 669 I HA -0.308 3.863 4.170 0.002 0.000 0.243 669 I C 2.316 178.425 176.117 -0.012 0.000 1.080 669 I CA 2.128 63.424 61.300 -0.007 0.000 1.339 669 I CB -0.437 37.557 38.000 -0.010 0.000 1.039 669 I HN 0.438 nan 8.210 nan 0.000 0.409 670 D N 0.437 120.832 120.400 -0.008 0.000 2.178 670 D HA -0.183 4.458 4.640 0.002 0.000 0.201 670 D C 2.374 178.676 176.300 0.003 0.000 0.980 670 D CA 1.031 55.026 54.000 -0.009 0.000 0.842 670 D CB 0.044 40.839 40.800 -0.009 0.000 0.948 670 D HN 0.041 nan 8.370 nan 0.000 0.472 671 R N -0.286 120.225 120.500 0.018 0.000 2.096 671 R HA -0.083 4.258 4.340 0.002 0.000 0.235 671 R C 2.062 178.413 176.300 0.084 0.000 1.127 671 R CA 1.244 57.372 56.100 0.046 0.000 0.968 671 R CB -0.263 30.070 30.300 0.056 0.000 0.861 671 R HN 0.249 nan 8.270 nan 0.000 0.440 672 A N 0.764 123.609 122.820 0.042 0.000 1.930 672 A HA -0.072 4.249 4.320 0.002 0.000 0.215 672 A C 1.811 179.314 177.584 -0.134 0.000 1.176 672 A CA 0.812 52.832 52.037 -0.028 0.000 0.632 672 A CB -0.042 18.916 19.000 -0.069 0.000 0.819 672 A HN 0.202 nan 8.150 nan 0.000 0.445 673 E N 0.379 120.533 120.200 -0.077 0.000 2.158 673 E HA -0.098 4.253 4.350 0.002 0.000 0.191 673 E C -0.202 176.368 176.600 -0.050 0.000 0.982 673 E CA 0.503 56.853 56.400 -0.084 0.000 0.823 673 E CB -0.318 29.344 29.700 -0.064 0.000 0.766 673 E HN 0.657 nan 8.360 nan 0.000 0.468 674 D N 1.236 121.630 120.400 -0.011 0.000 2.336 674 D HA 0.004 4.645 4.640 0.002 0.000 0.249 674 D C 1.441 177.777 176.300 0.061 0.000 1.213 674 D CA -0.239 53.767 54.000 0.010 0.000 0.870 674 D CB 0.627 41.427 40.800 0.000 0.000 1.076 674 D HN -0.108 nan 8.370 nan 0.000 0.483 675 R N 3.619 124.158 120.500 0.065 0.000 2.159 675 R HA -0.269 4.072 4.340 0.002 0.000 0.252 675 R C 1.354 177.750 176.300 0.159 0.000 1.144 675 R CA 1.409 57.590 56.100 0.133 0.000 0.961 675 R CB -0.760 29.593 30.300 0.088 0.000 0.877 675 R HN 0.590 nan 8.270 nan 0.000 0.444 676 E N 0.532 120.776 120.200 0.073 0.000 2.017 676 E HA -0.104 4.247 4.350 0.002 0.000 0.193 676 E C 2.341 178.901 176.600 -0.066 0.000 0.997 676 E CA 0.840 57.252 56.400 0.020 0.000 0.804 676 E CB 0.003 29.685 29.700 -0.030 0.000 0.757 676 E HN 0.308 nan 8.360 nan 0.000 0.448 677 R N -0.035 120.416 120.500 -0.082 0.000 2.103 677 R HA -0.191 4.150 4.340 0.002 0.000 0.242 677 R C 2.334 178.670 176.300 0.061 0.000 1.142 677 R CA 1.267 57.310 56.100 -0.093 0.000 0.960 677 R CB -0.708 29.578 30.300 -0.023 0.000 0.858 677 R HN 0.240 nan 8.270 nan 0.000 0.439 678 F N 2.248 122.186 119.950 -0.019 0.000 2.102 678 F HA -0.183 4.345 4.527 0.002 0.000 0.298 678 F C 2.397 178.235 175.800 0.064 0.000 1.105 678 F CA 1.528 59.538 58.000 0.016 0.000 1.239 678 F CB -0.319 38.682 39.000 0.002 0.000 0.991 678 F HN -0.053 nan 8.300 nan 0.000 0.474 679 Q N -0.893 118.942 119.800 0.058 0.000 2.135 679 Q HA -0.254 4.087 4.340 0.002 0.000 0.204 679 Q C 2.018 178.062 176.000 0.073 0.000 0.981 679 Q CA 2.041 57.842 55.803 -0.003 0.000 0.856 679 Q CB -0.306 28.505 28.738 0.122 0.000 0.902 679 Q HN 0.507 nan 8.270 nan 0.000 0.425 680 H N -0.530 118.490 119.070 -0.083 0.000 2.357 680 H HA -0.005 4.552 4.556 0.002 0.000 0.301 680 H C 1.896 177.168 175.328 -0.092 0.000 1.082 680 H CA 1.287 57.294 56.048 -0.068 0.000 1.342 680 H CB -0.548 29.197 29.762 -0.027 0.000 1.389 680 H HN 0.337 nan 8.280 nan 0.000 0.511 681 A N 0.465 123.317 122.820 0.054 0.000 1.883 681 A HA -0.169 4.152 4.320 0.002 0.000 0.217 681 A C 2.693 180.209 177.584 -0.114 0.000 1.186 681 A CA 1.962 53.987 52.037 -0.019 0.000 0.624 681 A CB -1.002 18.004 19.000 0.011 0.000 0.822 681 A HN 0.242 nan 8.150 nan 0.000 0.444 682 V N -0.088 119.660 119.914 -0.277 0.000 2.255 682 V HA -0.301 3.820 4.120 0.002 0.000 0.247 682 V C 2.480 178.480 176.094 -0.157 0.000 1.051 682 V CA 2.364 64.487 62.300 -0.295 0.000 1.018 682 V CB -0.861 30.676 31.823 -0.476 0.000 0.641 682 V HN 0.636 nan 8.190 nan 0.000 0.445 683 E N -0.132 119.983 120.200 -0.142 0.000 2.033 683 E HA -0.314 4.037 4.350 0.002 0.000 0.199 683 E C 2.452 179.001 176.600 -0.084 0.000 1.011 683 E CA 1.868 58.199 56.400 -0.114 0.000 0.815 683 E CB -0.231 29.380 29.700 -0.150 0.000 0.755 683 E HN 0.449 nan 8.360 nan 0.000 0.451 684 R N 0.659 121.120 120.500 -0.065 0.000 2.127 684 R HA -0.126 4.215 4.340 0.002 0.000 0.238 684 R C 2.131 178.414 176.300 -0.029 0.000 1.134 684 R CA 0.973 57.051 56.100 -0.037 0.000 0.975 684 R CB -0.101 30.195 30.300 -0.007 0.000 0.865 684 R HN 0.188 nan 8.270 nan 0.000 0.447 685 L N 0.240 121.441 121.223 -0.036 0.000 2.492 685 L HA 0.074 4.415 4.340 0.002 0.000 0.223 685 L C 0.434 177.287 176.870 -0.028 0.000 1.132 685 L CA 0.531 55.359 54.840 -0.021 0.000 0.850 685 L CB -0.031 42.018 42.059 -0.016 0.000 0.966 685 L HN 0.206 nan 8.230 nan 0.000 0.454 686 K N 0.323 120.696 120.400 -0.045 0.000 3.117 686 K HA -0.160 4.161 4.320 0.002 0.000 0.269 686 K C -0.406 176.163 176.600 -0.051 0.000 1.098 686 K CA 0.343 56.601 56.287 -0.048 0.000 0.785 686 K CB -1.620 30.857 32.500 -0.038 0.000 1.242 686 K HN 0.234 nan 8.250 nan 0.000 0.491 687 L N 0.411 121.599 121.223 -0.058 0.000 2.360 687 L HA 0.336 4.677 4.340 0.002 0.000 0.271 687 L C 0.760 177.588 176.870 -0.070 0.000 1.057 687 L CA -0.809 53.999 54.840 -0.053 0.000 0.803 687 L CB 1.052 43.095 42.059 -0.027 0.000 1.207 687 L HN 0.008 nan 8.230 nan 0.000 0.445 688 K N 2.515 122.869 120.400 -0.076 0.000 2.234 688 K HA 0.276 4.597 4.320 0.002 0.000 0.282 688 K C -0.753 175.846 176.600 -0.003 0.000 1.039 688 K CA -0.234 55.993 56.287 -0.100 0.000 0.928 688 K CB 1.233 33.556 32.500 -0.295 0.000 1.039 688 K HN 0.604 nan 8.250 nan 0.000 0.470 689 Q N 4.073 123.908 119.800 0.059 0.000 2.418 689 Q HA 0.443 4.784 4.340 0.002 0.000 0.282 689 Q C -2.768 173.345 176.000 0.188 0.000 1.044 689 Q CA -1.920 53.964 55.803 0.135 0.000 0.813 689 Q CB 2.030 30.794 28.738 0.043 0.000 1.428 689 Q HN 0.254 nan 8.270 nan 0.000 0.402 690 P HA 0.118 nan 4.420 nan 0.000 0.267 690 P C -0.859 176.508 177.300 0.113 0.000 1.200 690 P CA 0.054 63.253 63.100 0.165 0.000 0.772 690 P CB 0.399 32.163 31.700 0.106 0.000 0.855 691 A N 3.157 126.033 122.820 0.093 0.000 2.511 691 A HA 0.343 4.664 4.320 0.002 0.000 0.242 691 A C 0.494 178.105 177.584 0.046 0.000 1.069 691 A CA 0.116 52.178 52.037 0.042 0.000 0.763 691 A CB -0.776 18.218 19.000 -0.010 0.000 1.001 691 A HN 0.777 nan 8.150 nan 0.000 0.498 692 N N -0.235 118.484 118.700 0.032 0.000 3.229 692 N HA 0.853 5.594 4.740 0.002 0.000 0.315 692 N C -0.922 174.601 175.510 0.022 0.000 1.520 692 N CA -0.215 52.855 53.050 0.032 0.000 0.769 692 N CB 1.633 40.149 38.487 0.049 0.000 1.766 692 N HN 1.367 nan 8.380 nan 0.000 0.618 693 A N -0.804 122.033 122.820 0.028 0.000 2.541 693 A HA 0.443 4.764 4.320 0.002 0.000 0.312 693 A C -1.450 176.157 177.584 0.038 0.000 1.025 693 A CA -0.850 51.204 52.037 0.028 0.000 0.887 693 A CB -0.027 18.982 19.000 0.015 0.000 1.189 693 A HN 0.587 nan 8.150 nan 0.000 0.377 694 T N 1.963 116.543 114.554 0.042 0.000 2.761 694 T HA 0.468 4.819 4.350 0.002 0.000 0.296 694 T C -0.054 174.677 174.700 0.051 0.000 0.934 694 T CA -0.022 62.108 62.100 0.050 0.000 1.091 694 T CB 0.801 69.697 68.868 0.048 0.000 0.896 694 T HN 0.798 nan 8.240 nan 0.000 0.515 695 V N 4.232 124.190 119.914 0.073 0.000 2.417 695 V HA 0.249 4.370 4.120 0.002 0.000 0.291 695 V C 1.063 177.202 176.094 0.075 0.000 1.024 695 V CA -0.330 62.012 62.300 0.070 0.000 0.861 695 V CB 1.940 33.824 31.823 0.102 0.000 0.985 695 V HN 1.041 nan 8.190 nan 0.000 0.436 696 T N 3.282 117.857 114.554 0.035 0.000 2.818 696 T HA 0.222 4.573 4.350 0.002 0.000 0.246 696 T C 0.743 175.440 174.700 -0.005 0.000 1.036 696 T CA 0.913 63.029 62.100 0.026 0.000 1.160 696 T CB 0.112 68.985 68.868 0.009 0.000 0.869 696 T HN 0.746 nan 8.240 nan 0.000 0.419 697 A N 0.206 122.995 122.820 -0.051 0.000 2.269 697 A HA 0.614 4.935 4.320 0.002 0.000 0.319 697 A C 1.099 178.528 177.584 -0.258 0.000 1.110 697 A CA -0.610 51.354 52.037 -0.120 0.000 0.847 697 A CB 0.201 19.148 19.000 -0.087 0.000 1.161 697 A HN 0.187 nan 8.150 nan 0.000 0.497 698 I N 0.596 120.925 120.570 -0.402 0.000 2.118 698 I HA -0.237 3.934 4.170 0.002 0.000 0.241 698 I C 2.296 178.180 176.117 -0.388 0.000 1.070 698 I CA 1.888 62.778 61.300 -0.683 0.000 1.327 698 I CB -0.530 37.189 38.000 -0.467 0.000 1.034 698 I HN 0.744 nan 8.210 nan 0.000 0.405 699 E N -0.264 119.816 120.200 -0.201 0.000 2.204 699 E HA -0.214 4.137 4.350 0.002 0.000 0.194 699 E C 2.227 178.789 176.600 -0.063 0.000 0.989 699 E CA 1.004 57.345 56.400 -0.097 0.000 0.824 699 E CB -0.412 29.251 29.700 -0.063 0.000 0.756 699 E HN 0.530 nan 8.360 nan 0.000 0.477 700 M N 0.564 120.118 119.600 -0.077 0.000 2.296 700 M HA -0.095 4.386 4.480 0.002 0.000 0.265 700 M C 2.109 178.397 176.300 -0.019 0.000 1.064 700 M CA 1.235 56.512 55.300 -0.040 0.000 1.109 700 M CB 0.033 32.607 32.600 -0.043 0.000 1.396 700 M HN 0.098 nan 8.290 nan 0.000 0.430 701 A N -0.840 121.954 122.820 -0.043 0.000 1.903 701 A HA -0.026 4.295 4.320 0.002 0.000 0.213 701 A C 1.846 179.483 177.584 0.090 0.000 1.185 701 A CA 1.125 53.186 52.037 0.040 0.000 0.628 701 A CB -0.641 18.372 19.000 0.023 0.000 0.830 701 A HN 0.362 nan 8.150 nan 0.000 0.446 702 V N 0.122 120.074 119.914 0.064 0.000 2.667 702 V HA -0.150 3.971 4.120 0.002 0.000 0.252 702 V C 2.349 178.502 176.094 0.098 0.000 1.065 702 V CA 2.161 64.535 62.300 0.123 0.000 1.083 702 V CB -0.608 31.274 31.823 0.098 0.000 0.692 702 V HN 0.695 nan 8.190 nan 0.000 0.468 703 E N 0.826 121.055 120.200 0.048 0.000 2.075 703 E HA -0.104 4.247 4.350 0.002 0.000 0.190 703 E C 2.102 178.713 176.600 0.020 0.000 0.969 703 E CA 0.851 57.272 56.400 0.035 0.000 0.815 703 E CB -0.184 29.527 29.700 0.017 0.000 0.776 703 E HN 0.229 nan 8.360 nan 0.000 0.457 704 K N 0.716 121.122 120.400 0.011 0.000 2.063 704 K HA -0.028 4.293 4.320 0.002 0.000 0.208 704 K C 1.918 178.494 176.600 -0.040 0.000 1.048 704 K CA 1.483 57.766 56.287 -0.006 0.000 0.928 704 K CB -0.954 31.549 32.500 0.006 0.000 0.713 704 K HN 0.241 nan 8.250 nan 0.000 0.442 705 A N 0.645 123.436 122.820 -0.048 0.000 1.892 705 A HA -0.282 4.039 4.320 0.002 0.000 0.218 705 A C 2.067 179.503 177.584 -0.246 0.000 1.188 705 A CA 2.315 54.233 52.037 -0.198 0.000 0.631 705 A CB -0.536 18.373 19.000 -0.151 0.000 0.822 705 A HN 0.312 nan 8.150 nan 0.000 0.447 706 K N -0.455 119.918 120.400 -0.045 0.000 2.074 706 K HA -0.180 4.141 4.320 0.002 0.000 0.209 706 K C 2.065 178.649 176.600 -0.026 0.000 1.048 706 K CA 1.842 58.148 56.287 0.031 0.000 0.926 706 K CB -0.183 32.359 32.500 0.070 0.000 0.713 706 K HN 0.686 nan 8.250 nan 0.000 0.444 707 E N 0.157 120.332 120.200 -0.041 0.000 2.017 707 E HA -0.186 4.165 4.350 0.002 0.000 0.193 707 E C 1.955 178.505 176.600 -0.083 0.000 0.997 707 E CA 1.509 57.881 56.400 -0.047 0.000 0.804 707 E CB -0.062 29.618 29.700 -0.034 0.000 0.757 707 E HN 0.229 nan 8.360 nan 0.000 0.448 708 I N -0.023 120.481 120.570 -0.110 0.000 2.226 708 I HA -0.094 4.077 4.170 0.002 0.000 0.245 708 I C 1.135 177.129 176.117 -0.205 0.000 1.100 708 I CA 0.816 62.036 61.300 -0.134 0.000 1.374 708 I CB -0.398 37.535 38.000 -0.111 0.000 1.057 708 I HN 0.258 nan 8.210 nan 0.000 0.413 709 G N -0.395 108.269 108.800 -0.226 0.000 2.719 709 G HA2 -0.205 3.756 3.960 0.002 0.000 0.686 709 G HA3 -0.205 3.756 3.960 0.002 0.000 0.686 709 G C -0.852 173.983 174.900 -0.108 0.000 1.201 709 G CA -0.928 44.076 45.100 -0.159 0.000 0.768 709 G HN 0.081 nan 8.290 nan 0.000 0.629 710 Y N 1.623 122.008 120.300 0.141 0.000 2.316 710 Y HA 0.586 5.137 4.550 0.002 0.000 0.324 710 Y C -0.983 175.043 175.900 0.210 0.000 1.267 710 Y CA -1.237 56.953 58.100 0.150 0.000 1.311 710 Y CB 0.979 39.494 38.460 0.092 0.000 1.267 710 Y HN 0.557 nan 8.280 nan 0.000 0.516 711 P HA 0.352 nan 4.420 nan 0.000 0.279 711 P C -1.416 175.883 177.300 -0.000 0.000 1.276 711 P CA -0.472 62.673 63.100 0.076 0.000 0.801 711 P CB 1.099 32.571 31.700 -0.380 0.000 1.127 712 L N -0.097 121.085 121.223 -0.068 0.000 2.365 712 L HA 0.337 4.678 4.340 0.002 0.000 0.273 712 L C -0.385 176.378 176.870 -0.179 0.000 1.000 712 L CA -0.704 54.073 54.840 -0.104 0.000 0.819 712 L CB 2.242 44.233 42.059 -0.113 0.000 1.284 712 L HN 0.012 nan 8.230 nan 0.000 0.418 713 V N 4.499 124.341 119.914 -0.120 0.000 2.258 713 V HA 0.111 4.232 4.120 0.002 0.000 0.258 713 V C 0.063 176.067 176.094 -0.150 0.000 1.121 713 V CA -0.561 61.657 62.300 -0.137 0.000 0.942 713 V CB 0.904 32.709 31.823 -0.030 0.000 1.170 713 V HN 0.468 nan 8.190 nan 0.000 0.487 714 V N 5.718 125.478 119.914 -0.257 0.000 2.070 714 V HA 0.109 4.230 4.120 0.002 0.000 0.239 714 V C 0.940 176.916 176.094 -0.196 0.000 1.472 714 V CA -0.117 62.006 62.300 -0.294 0.000 1.453 714 V CB -1.416 30.031 31.823 -0.628 0.000 1.503 714 V HN 0.742 nan 8.190 nan 0.000 0.501 715 R N 3.895 124.339 120.500 -0.092 0.000 2.267 715 R HA 0.475 4.816 4.340 0.002 0.000 0.319 715 R C -1.447 174.846 176.300 -0.013 0.000 1.067 715 R CA -0.746 55.327 56.100 -0.045 0.000 0.936 715 R CB 0.148 30.437 30.300 -0.018 0.000 1.006 715 R HN 0.475 nan 8.270 nan 0.000 0.452 725 M N 0.377 119.966 119.600 -0.019 0.000 2.366 725 M HA 0.385 4.866 4.480 0.002 0.000 0.287 725 M C -1.220 175.028 176.300 -0.087 0.000 1.083 725 M CA -0.072 55.196 55.300 -0.053 0.000 0.934 725 M CB 2.319 34.902 32.600 -0.029 0.000 1.852 725 M HN 0.992 nan 8.290 nan 0.000 0.502 726 E N 2.824 122.912 120.200 -0.186 0.000 2.383 726 E HA 0.717 5.068 4.350 0.002 0.000 0.275 726 E C -1.846 174.570 176.600 -0.306 0.000 0.918 726 E CA -0.645 55.620 56.400 -0.226 0.000 0.764 726 E CB 2.314 31.901 29.700 -0.188 0.000 1.252 726 E HN 0.683 nan 8.360 nan 0.000 0.449 727 I N 3.610 124.012 120.570 -0.280 0.000 2.359 727 I HA 0.285 4.456 4.170 0.002 0.000 0.284 727 I C -0.762 175.193 176.117 -0.270 0.000 1.018 727 I CA -1.050 60.016 61.300 -0.390 0.000 1.173 727 I CB 1.459 39.071 38.000 -0.646 0.000 1.326 727 I HN 0.279 nan 8.210 nan 0.000 0.462 728 V N 6.478 126.247 119.914 -0.242 0.000 2.498 728 V HA 0.101 4.222 4.120 0.002 0.000 0.279 728 V C 0.234 176.313 176.094 -0.025 0.000 1.048 728 V CA -0.057 62.214 62.300 -0.047 0.000 0.967 728 V CB 0.875 32.697 31.823 -0.002 0.000 0.988 728 V HN 0.584 nan 8.190 nan 0.000 0.473 729 Y N 1.583 121.912 120.300 0.048 0.000 2.503 729 Y HA 0.164 4.715 4.550 0.002 0.000 0.277 729 Y C 1.076 176.904 175.900 -0.120 0.000 1.102 729 Y CA 0.204 58.332 58.100 0.046 0.000 1.261 729 Y CB 0.553 39.012 38.460 -0.002 0.000 1.096 729 Y HN 0.813 nan 8.280 nan 0.000 0.546 730 D N -1.562 118.743 120.400 -0.158 0.000 2.599 730 D HA 0.043 4.684 4.640 0.002 0.000 0.252 730 D C 0.433 176.436 176.300 -0.495 0.000 1.232 730 D CA -0.391 53.257 54.000 -0.588 0.000 0.819 730 D CB 1.284 41.922 40.800 -0.269 0.000 1.401 730 D HN 0.068 nan 8.370 nan 0.000 0.429 731 E N 0.457 120.334 120.200 -0.538 0.000 2.068 731 E HA -0.303 4.048 4.350 0.002 0.000 0.207 731 E C 1.942 178.553 176.600 0.018 0.000 1.032 731 E CA 2.263 58.599 56.400 -0.106 0.000 0.839 731 E CB -0.272 29.402 29.700 -0.043 0.000 0.758 731 E HN 0.561 nan 8.360 nan 0.000 0.457 732 A N 0.725 123.534 122.820 -0.019 0.000 1.978 732 A HA -0.238 4.083 4.320 0.002 0.000 0.220 732 A C 1.703 179.321 177.584 0.058 0.000 1.170 732 A CA 2.080 54.132 52.037 0.024 0.000 0.636 732 A CB -0.494 18.508 19.000 0.003 0.000 0.810 732 A HN 0.275 nan 8.150 nan 0.000 0.448 733 D N -0.905 119.523 120.400 0.046 0.000 2.144 733 D HA -0.087 4.554 4.640 0.002 0.000 0.200 733 D C 1.762 178.158 176.300 0.159 0.000 0.978 733 D CA 0.703 54.758 54.000 0.091 0.000 0.833 733 D CB -0.141 40.717 40.800 0.096 0.000 0.961 733 D HN 0.283 nan 8.370 nan 0.000 0.470 734 L N 1.385 122.729 121.223 0.201 0.000 1.970 734 L HA -0.161 4.180 4.340 0.002 0.000 0.212 734 L C 1.946 179.089 176.870 0.456 0.000 1.071 734 L CA 1.812 56.848 54.840 0.328 0.000 0.751 734 L CB -0.610 41.702 42.059 0.422 0.000 0.889 734 L HN 0.001 nan 8.230 nan 0.000 0.432 735 R N -1.057 119.651 120.500 0.346 0.000 2.081 735 R HA -0.162 4.179 4.340 0.002 0.000 0.235 735 R C 2.344 178.798 176.300 0.257 0.000 1.131 735 R CA 1.214 57.507 56.100 0.321 0.000 0.960 735 R CB -0.750 29.651 30.300 0.170 0.000 0.856 735 R HN 0.350 nan 8.270 nan 0.000 0.436 736 R N 0.847 121.455 120.500 0.180 0.000 2.094 736 R HA -0.247 4.094 4.340 0.002 0.000 0.239 736 R C 2.222 178.586 176.300 0.106 0.000 1.137 736 R CA 2.121 58.291 56.100 0.117 0.000 0.943 736 R CB -0.553 29.806 30.300 0.098 0.000 0.850 736 R HN 0.355 nan 8.270 nan 0.000 0.433 737 Y N 0.295 120.602 120.300 0.011 0.000 2.128 737 Y HA -0.271 4.279 4.550 0.002 0.000 0.284 737 Y C 1.975 177.817 175.900 -0.097 0.000 1.154 737 Y CA 2.034 60.080 58.100 -0.090 0.000 1.149 737 Y CB -0.600 37.727 38.460 -0.220 0.000 0.976 737 Y HN 0.026 nan 8.280 nan 0.000 0.505 738 F N 1.073 121.050 119.950 0.046 0.000 2.154 738 F HA -0.308 4.220 4.527 0.002 0.000 0.301 738 F C 2.717 178.432 175.800 -0.141 0.000 1.087 738 F CA 2.098 60.072 58.000 -0.043 0.000 1.274 738 F CB -0.950 38.101 39.000 0.086 0.000 1.009 738 F HN 0.292 nan 8.300 nan 0.000 0.485 739 Q N 0.175 120.018 119.800 0.071 0.000 2.084 739 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 739 Q C 2.166 178.119 176.000 -0.079 0.000 0.978 739 Q CA 2.584 58.394 55.803 0.011 0.000 0.844 739 Q CB -0.402 28.350 28.738 0.022 0.000 0.898 739 Q HN 0.458 nan 8.270 nan 0.000 0.426 740 T N -1.636 112.807 114.554 -0.184 0.000 2.851 740 T HA 0.254 4.605 4.350 0.002 0.000 0.262 740 T C 1.085 175.591 174.700 -0.324 0.000 1.043 740 T CA 0.313 62.276 62.100 -0.229 0.000 1.140 740 T CB -0.687 68.041 68.868 -0.232 0.000 0.872 740 T HN 0.451 nan 8.240 nan 0.000 0.446 751 L N 5.041 126.294 121.223 0.050 0.000 2.467 751 L HA 0.459 4.800 4.340 0.002 0.000 0.270 751 L C -0.225 176.660 176.870 0.026 0.000 1.205 751 L CA 0.508 55.372 54.840 0.040 0.000 0.828 751 L CB 0.215 42.295 42.059 0.035 0.000 1.101 751 L HN 0.457 nan 8.230 nan 0.000 0.479 752 L N 1.943 123.182 121.223 0.025 0.000 2.385 752 L HA 0.565 4.906 4.340 0.002 0.000 0.273 752 L C -1.100 175.774 176.870 0.007 0.000 0.990 752 L CA -0.045 54.799 54.840 0.006 0.000 0.821 752 L CB 1.985 44.054 42.059 0.018 0.000 1.279 752 L HN 0.579 nan 8.230 nan 0.000 0.412 753 D N -0.404 119.994 120.400 -0.004 0.000 2.947 753 D HA 0.259 4.900 4.640 0.002 0.000 0.224 753 D C -1.288 175.038 176.300 0.044 0.000 1.230 753 D CA -0.519 53.498 54.000 0.028 0.000 0.871 753 D CB 1.393 42.215 40.800 0.037 0.000 1.671 753 D HN 0.463 nan 8.370 nan 0.000 0.507 754 H N 1.886 120.934 119.070 -0.038 0.000 2.929 754 H HA 0.196 4.753 4.556 0.002 0.000 0.317 754 H C -0.867 174.454 175.328 -0.012 0.000 1.031 754 H CA -0.129 55.889 56.048 -0.049 0.000 1.466 754 H CB 0.183 29.902 29.762 -0.071 0.000 1.482 754 H HN 0.216 nan 8.280 nan 0.000 0.561 755 F N 6.609 126.256 119.950 -0.505 0.000 2.471 755 F HA 0.188 4.716 4.527 0.002 0.000 0.365 755 F C -0.709 174.709 175.800 -0.636 0.000 1.095 755 F CA -0.866 56.861 58.000 -0.456 0.000 1.174 755 F CB 0.081 38.847 39.000 -0.390 0.000 1.105 755 F HN 0.558 nan 8.300 nan 0.000 0.535 756 L N 7.432 128.016 121.223 -1.067 0.000 2.448 756 L HA 0.120 4.461 4.340 0.002 0.000 0.278 756 L C 0.029 176.198 176.870 -1.169 0.000 1.201 756 L CA -0.603 53.675 54.840 -0.938 0.000 1.036 756 L CB -0.767 40.906 42.059 -0.644 0.000 1.325 756 L HN 0.569 nan 8.230 nan 0.000 0.441 757 D N 0.845 120.659 120.400 -0.978 0.000 2.362 757 D HA -0.005 4.636 4.640 0.002 0.000 0.242 757 D C 0.082 176.201 176.300 -0.301 0.000 1.132 757 D CA -0.464 53.169 54.000 -0.612 0.000 0.907 757 D CB 0.798 41.508 40.800 -0.150 0.000 1.195 757 D HN 0.454 nan 8.370 nan 0.000 0.429 758 D N -1.013 119.303 120.400 -0.140 0.000 2.689 758 D HA -0.048 4.593 4.640 0.002 0.000 0.237 758 D C -0.768 175.466 176.300 -0.110 0.000 1.148 758 D CA 1.171 55.128 54.000 -0.073 0.000 0.656 758 D CB -1.143 39.640 40.800 -0.029 0.000 1.050 758 D HN 0.689 nan 8.370 nan 0.000 0.426 759 A N -0.353 122.382 122.820 -0.142 0.000 2.380 759 A HA 0.751 5.072 4.320 0.002 0.000 0.315 759 A C -0.058 177.488 177.584 -0.064 0.000 1.101 759 A CA -0.678 51.282 52.037 -0.127 0.000 0.771 759 A CB 1.631 20.505 19.000 -0.211 0.000 1.287 759 A HN 0.137 nan 8.150 nan 0.000 0.436 760 V N 1.617 121.501 119.914 -0.050 0.000 2.465 760 V HA 0.267 4.388 4.120 0.002 0.000 0.279 760 V C 0.442 176.508 176.094 -0.048 0.000 1.045 760 V CA -0.289 61.992 62.300 -0.032 0.000 0.938 760 V CB 1.175 32.967 31.823 -0.051 0.000 0.986 760 V HN 0.942 nan 8.190 nan 0.000 0.467 761 E N 3.260 123.413 120.200 -0.078 0.000 2.216 761 E HA 0.623 4.974 4.350 0.002 0.000 0.279 761 E C -1.516 174.763 176.600 -0.535 0.000 0.997 761 E CA -0.384 55.857 56.400 -0.266 0.000 0.817 761 E CB 1.800 31.378 29.700 -0.204 0.000 1.096 761 E HN 0.502 nan 8.360 nan 0.000 0.393 762 V N 3.853 123.562 119.914 -0.343 0.000 2.789 762 V HA 0.334 4.455 4.120 0.002 0.000 0.311 762 V C -0.637 175.451 176.094 -0.010 0.000 1.073 762 V CA -0.940 61.261 62.300 -0.165 0.000 0.921 762 V CB 2.199 34.053 31.823 0.051 0.000 1.009 762 V HN 0.723 nan 8.190 nan 0.000 0.426 763 D N 1.578 122.035 120.400 0.095 0.000 2.481 763 D HA 0.665 5.306 4.640 0.002 0.000 0.244 763 D C -1.393 175.022 176.300 0.193 0.000 1.057 763 D CA -0.110 53.993 54.000 0.172 0.000 0.848 763 D CB 2.686 43.630 40.800 0.241 0.000 1.388 763 D HN 0.300 nan 8.370 nan 0.000 0.475 764 V N 2.912 122.936 119.914 0.183 0.000 2.482 764 V HA 0.223 4.344 4.120 0.002 0.000 0.295 764 V C -0.511 175.649 176.094 0.110 0.000 1.026 764 V CA -0.920 61.481 62.300 0.170 0.000 0.856 764 V CB 2.030 34.002 31.823 0.249 0.000 1.001 764 V HN 0.398 nan 8.190 nan 0.000 0.424 765 D N 3.671 124.124 120.400 0.087 0.000 2.198 765 D HA 0.809 5.450 4.640 0.002 0.000 0.245 765 D C -0.007 176.318 176.300 0.041 0.000 1.079 765 D CA 0.290 54.324 54.000 0.056 0.000 0.854 765 D CB 2.228 43.056 40.800 0.047 0.000 1.148 765 D HN 0.830 nan 8.370 nan 0.000 0.456 766 A N 2.239 125.076 122.820 0.028 0.000 2.609 766 A HA 0.751 5.072 4.320 0.002 0.000 0.291 766 A C -1.212 176.373 177.584 0.002 0.000 1.096 766 A CA -0.631 51.413 52.037 0.012 0.000 0.684 766 A CB 1.178 20.180 19.000 0.004 0.000 1.282 766 A HN 0.486 nan 8.150 nan 0.000 0.412 767 I N 0.134 120.698 120.570 -0.010 0.000 2.509 767 I HA 0.512 4.683 4.170 0.002 0.000 0.293 767 I C -0.688 175.397 176.117 -0.053 0.000 1.020 767 I CA -0.568 60.727 61.300 -0.008 0.000 1.088 767 I CB 1.936 39.947 38.000 0.017 0.000 1.267 767 I HN 0.666 nan 8.210 nan 0.000 0.430 768 C N 4.966 124.225 119.300 -0.068 0.000 2.408 768 C HA 0.483 4.944 4.460 0.002 0.000 0.321 768 C C 0.356 175.317 174.990 -0.047 0.000 1.245 768 C CA -0.419 58.517 59.018 -0.136 0.000 1.523 768 C CB 0.846 28.436 27.740 -0.251 0.000 2.178 768 C HN 0.934 nan 8.230 nan 0.000 0.488 769 D N 1.762 122.159 120.400 -0.005 0.000 2.431 769 D HA 0.274 4.915 4.640 0.002 0.000 0.213 769 D C 1.316 177.669 176.300 0.088 0.000 1.130 769 D CA 0.659 54.684 54.000 0.043 0.000 0.834 769 D CB 0.079 40.909 40.800 0.050 0.000 0.985 769 D HN 1.305 nan 8.370 nan 0.000 0.504 770 G N 0.592 109.472 108.800 0.133 0.000 2.268 770 G HA2 -0.346 3.615 3.960 0.002 0.000 0.240 770 G HA3 -0.346 3.615 3.960 0.002 0.000 0.240 770 G C 1.005 176.132 174.900 0.379 0.000 1.010 770 G CA 0.377 45.619 45.100 0.236 0.000 0.618 770 G HN 0.423 nan 8.290 nan 0.000 0.516 771 E N -0.499 119.889 120.200 0.313 0.000 2.256 771 E HA 0.387 4.738 4.350 0.002 0.000 0.198 771 E C 1.390 178.230 176.600 0.400 0.000 0.908 771 E CA 0.964 57.519 56.400 0.258 0.000 0.915 771 E CB 0.183 29.962 29.700 0.132 0.000 0.890 771 E HN 0.752 nan 8.360 nan 0.000 0.484 772 M N -1.110 118.706 119.600 0.361 0.000 2.664 772 M HA 0.573 5.054 4.480 0.002 0.000 0.279 772 M C -1.376 174.985 176.300 0.101 0.000 1.275 772 M CA -0.991 54.528 55.300 0.366 0.000 0.829 772 M CB 2.439 35.148 32.600 0.182 0.000 1.727 772 M HN -0.332 nan 8.290 nan 0.000 0.459 773 V N 2.052 121.989 119.914 0.039 0.000 2.487 773 V HA 0.601 4.722 4.120 0.002 0.000 0.298 773 V C -1.178 174.905 176.094 -0.018 0.000 1.028 773 V CA -0.655 61.576 62.300 -0.115 0.000 0.860 773 V CB 1.666 33.349 31.823 -0.234 0.000 0.991 773 V HN 0.770 nan 8.190 nan 0.000 0.427 774 L N 6.008 127.218 121.223 -0.022 0.000 2.313 774 L HA 0.614 4.955 4.340 0.002 0.000 0.283 774 L C -0.514 176.354 176.870 -0.004 0.000 1.013 774 L CA -0.147 54.691 54.840 -0.002 0.000 0.816 774 L CB 1.170 43.232 42.059 0.004 0.000 1.236 774 L HN 0.426 nan 8.230 nan 0.000 0.419 775 I N 5.454 126.025 120.570 0.002 0.000 2.379 775 I HA 0.211 4.382 4.170 0.002 0.000 0.290 775 I C 1.357 177.476 176.117 0.003 0.000 1.063 775 I CA 0.225 61.530 61.300 0.008 0.000 1.351 775 I CB 0.549 38.555 38.000 0.010 0.000 1.410 775 I HN 0.853 nan 8.210 nan 0.000 0.505 776 G N 5.025 113.830 108.800 0.009 0.000 2.426 776 G HA2 0.324 4.285 3.960 0.002 0.000 0.214 776 G HA3 0.324 4.285 3.960 0.002 0.000 0.214 776 G C 0.626 175.522 174.900 -0.006 0.000 1.156 776 G CA 0.556 45.656 45.100 -0.001 0.000 0.802 776 G HN 0.823 nan 8.290 nan 0.000 0.534 777 G N -0.704 108.107 108.800 0.018 0.000 2.503 777 G HA2 0.418 4.379 3.960 0.002 0.000 0.305 777 G HA3 0.418 4.379 3.960 0.002 0.000 0.305 777 G C -1.445 173.497 174.900 0.069 0.000 1.575 777 G CA -0.874 44.241 45.100 0.026 0.000 0.890 777 G HN 0.136 nan 8.290 nan 0.000 0.612 778 I N 2.068 122.679 120.570 0.069 0.000 2.328 778 I HA 0.378 4.549 4.170 0.002 0.000 0.287 778 I C -0.035 176.166 176.117 0.141 0.000 1.012 778 I CA -0.342 61.014 61.300 0.093 0.000 1.195 778 I CB 1.483 39.512 38.000 0.048 0.000 1.350 778 I HN 0.242 nan 8.210 nan 0.000 0.464 779 M N 6.111 125.828 119.600 0.194 0.000 2.227 779 M HA 0.319 4.800 4.480 0.002 0.000 0.335 779 M C -0.228 176.236 176.300 0.274 0.000 1.053 779 M CA -0.334 55.133 55.300 0.278 0.000 0.973 779 M CB 1.925 34.731 32.600 0.345 0.000 1.623 779 M HN 0.443 nan 8.290 nan 0.000 0.434 780 E N 3.487 123.868 120.200 0.301 0.000 2.174 780 E HA 0.250 4.601 4.350 0.002 0.000 0.282 780 E C -1.034 175.817 176.600 0.419 0.000 0.992 780 E CA -0.497 56.064 56.400 0.268 0.000 0.803 780 E CB 0.861 30.689 29.700 0.213 0.000 1.090 780 E HN 0.672 nan 8.360 nan 0.000 0.396 781 H N 3.369 122.559 119.070 0.199 0.000 2.615 781 H HA 0.048 4.605 4.556 0.002 0.000 0.363 781 H C 0.736 176.217 175.328 0.254 0.000 1.148 781 H CA -0.773 55.394 56.048 0.197 0.000 1.401 781 H CB 1.223 31.070 29.762 0.142 0.000 1.461 781 H HN 0.558 nan 8.280 nan 0.000 0.588 782 I N 1.161 121.955 120.570 0.373 0.000 2.235 782 I HA -0.118 4.053 4.170 0.002 0.000 0.241 782 I C 0.615 176.896 176.117 0.273 0.000 1.085 782 I CA 1.048 62.547 61.300 0.332 0.000 1.378 782 I CB -0.120 38.043 38.000 0.272 0.000 1.076 782 I HN 0.598 nan 8.210 nan 0.000 0.415 783 E N 2.113 122.455 120.200 0.238 0.000 2.373 783 E HA 0.060 4.411 4.350 0.002 0.000 0.267 783 E C 0.146 176.881 176.600 0.226 0.000 1.032 783 E CA -0.297 56.227 56.400 0.207 0.000 0.889 783 E CB 0.213 30.016 29.700 0.171 0.000 0.984 783 E HN 0.156 nan 8.360 nan 0.000 0.425 784 Q N 1.519 121.429 119.800 0.183 0.000 2.535 784 Q HA 0.189 4.530 4.340 0.002 0.000 0.228 784 Q C -0.326 175.776 176.000 0.169 0.000 1.062 784 Q CA -0.420 55.473 55.803 0.150 0.000 0.967 784 Q CB 0.374 29.184 28.738 0.120 0.000 1.273 784 Q HN 0.494 nan 8.270 nan 0.000 0.554 785 A N -0.087 122.792 122.820 0.098 0.000 2.546 785 A HA 0.434 4.755 4.320 0.002 0.000 0.243 785 A C 1.133 178.861 177.584 0.240 0.000 1.063 785 A CA 0.771 52.865 52.037 0.096 0.000 0.757 785 A CB -0.784 18.195 19.000 -0.035 0.000 0.991 785 A HN 1.390 nan 8.150 nan 0.000 0.503 786 G N 0.761 109.736 108.800 0.291 0.000 2.380 786 G HA2 -0.090 3.871 3.960 0.002 0.000 0.197 786 G HA3 -0.090 3.871 3.960 0.002 0.000 0.197 786 G C 0.033 175.049 174.900 0.194 0.000 1.001 786 G CA 0.039 45.363 45.100 0.373 0.000 0.668 786 G HN 1.387 nan 8.290 nan 0.000 0.483 787 V N 3.139 123.169 119.914 0.193 0.000 2.384 787 V HA 0.462 4.583 4.120 0.002 0.000 0.287 787 V C 0.725 176.925 176.094 0.177 0.000 1.020 787 V CA -1.049 61.354 62.300 0.172 0.000 0.850 787 V CB 1.371 33.293 31.823 0.164 0.000 0.987 787 V HN 0.422 nan 8.190 nan 0.000 0.436 788 H N 3.388 122.509 119.070 0.083 0.000 3.092 788 H HA -0.068 4.489 4.556 0.002 0.000 0.332 788 H C 1.554 176.907 175.328 0.043 0.000 1.029 788 H CA 1.095 57.184 56.048 0.068 0.000 1.376 788 H CB 1.225 31.007 29.762 0.034 0.000 1.329 788 H HN 0.861 nan 8.280 nan 0.000 0.598 789 S N 2.466 118.104 115.700 -0.103 0.000 2.399 789 S HA -0.122 4.349 4.470 0.002 0.000 0.231 789 S C 2.229 176.841 174.600 0.020 0.000 1.022 789 S CA 0.781 58.939 58.200 -0.070 0.000 0.983 789 S CB -0.451 62.795 63.200 0.077 0.000 0.803 789 S HN 0.722 nan 8.310 nan 0.000 0.480 790 G N 0.985 110.026 108.800 0.401 0.000 2.509 790 G HA2 -0.047 3.914 3.960 0.002 0.000 0.218 790 G HA3 -0.047 3.914 3.960 0.002 0.000 0.218 790 G C 0.722 175.652 174.900 0.051 0.000 1.124 790 G CA 0.785 45.997 45.100 0.187 0.000 0.776 790 G HN 0.536 nan 8.290 nan 0.000 0.547 791 D N -0.362 120.086 120.400 0.081 0.000 2.431 791 D HA 0.199 4.840 4.640 0.002 0.000 0.213 791 D C 0.468 176.773 176.300 0.007 0.000 1.130 791 D CA 0.032 54.051 54.000 0.032 0.000 0.834 791 D CB 0.772 41.614 40.800 0.070 0.000 0.985 791 D HN 0.057 nan 8.370 nan 0.000 0.504 792 S N 0.481 116.143 115.700 -0.064 0.000 2.541 792 S HA 0.693 5.164 4.470 0.002 0.000 0.283 792 S C 0.206 174.730 174.600 -0.126 0.000 1.196 792 S CA -0.778 57.360 58.200 -0.103 0.000 1.062 792 S CB 1.988 65.024 63.200 -0.274 0.000 1.009 792 S HN 0.216 nan 8.310 nan 0.000 0.502 793 A N 1.192 124.004 122.820 -0.013 0.000 2.351 793 A HA 0.634 4.955 4.320 0.002 0.000 0.257 793 A C 0.366 177.976 177.584 0.043 0.000 1.087 793 A CA -0.536 51.506 52.037 0.009 0.000 0.798 793 A CB -0.428 18.672 19.000 0.167 0.000 1.033 793 A HN 1.237 nan 8.150 nan 0.000 0.488 794 C N -0.120 119.198 119.300 0.030 0.000 3.241 794 C HA 0.889 5.350 4.460 0.002 0.000 0.312 794 C C -0.286 174.855 174.990 0.252 0.000 1.350 794 C CA -0.281 58.835 59.018 0.163 0.000 1.415 794 C CB 0.981 28.815 27.740 0.157 0.000 1.770 794 C HN 1.310 nan 8.230 nan 0.000 0.466 795 S N 0.976 116.909 115.700 0.389 0.000 2.500 795 S HA 0.781 5.252 4.470 0.002 0.000 0.301 795 S C -1.333 173.556 174.600 0.482 0.000 1.092 795 S CA -0.526 57.965 58.200 0.485 0.000 1.030 795 S CB 1.249 64.764 63.200 0.525 0.000 1.031 795 S HN 1.187 nan 8.310 nan 0.000 0.483 796 L N 6.247 127.757 121.223 0.479 0.000 2.406 796 L HA 0.618 4.959 4.340 0.002 0.000 0.270 796 L C -2.582 174.402 176.870 0.190 0.000 0.982 796 L CA -2.024 52.986 54.840 0.282 0.000 0.843 796 L CB 2.252 44.397 42.059 0.144 0.000 1.225 796 L HN 0.526 nan 8.230 nan 0.000 0.412 797 P HA 0.271 nan 4.420 nan 0.000 0.282 797 P C -0.778 176.703 177.300 0.302 0.000 1.287 797 P CA -0.495 62.674 63.100 0.115 0.000 0.792 797 P CB 0.697 32.377 31.700 -0.034 0.000 1.163 798 A N 0.315 123.269 122.820 0.224 0.000 2.520 798 A HA 0.079 4.400 4.320 0.002 0.000 0.235 798 A C 0.485 178.262 177.584 0.322 0.000 1.065 798 A CA 0.177 52.366 52.037 0.252 0.000 0.764 798 A CB -0.926 18.135 19.000 0.101 0.000 1.002 798 A HN 0.770 nan 8.150 nan 0.000 0.502 799 Y N -0.393 119.935 120.300 0.047 0.000 2.467 799 Y HA 0.342 4.893 4.550 0.002 0.000 0.250 799 Y C 1.174 176.971 175.900 -0.172 0.000 1.155 799 Y CA 0.493 58.536 58.100 -0.094 0.000 1.249 799 Y CB 0.304 38.437 38.460 -0.546 0.000 1.146 799 Y HN 0.630 nan 8.280 nan 0.000 0.524 800 T N -2.526 111.689 114.554 -0.565 0.000 3.147 800 T HA 0.309 4.660 4.350 0.002 0.000 0.275 800 T C -0.125 174.406 174.700 -0.282 0.000 0.879 800 T CA -0.280 61.514 62.100 -0.510 0.000 0.863 800 T CB -0.600 67.835 68.868 -0.722 0.000 1.236 800 T HN 0.144 nan 8.240 nan 0.000 0.582 801 L N 3.876 124.980 121.223 -0.199 0.000 2.349 801 L HA 0.564 4.905 4.340 0.002 0.000 0.275 801 L C 0.890 177.703 176.870 -0.094 0.000 1.115 801 L CA -0.822 53.939 54.840 -0.131 0.000 0.820 801 L CB 1.243 43.242 42.059 -0.100 0.000 1.135 801 L HN 0.386 nan 8.230 nan 0.000 0.445 802 S N 1.444 117.090 115.700 -0.090 0.000 2.579 802 S HA -0.013 4.458 4.470 0.002 0.000 0.275 802 S C 0.701 175.262 174.600 -0.065 0.000 1.345 802 S CA -0.454 57.704 58.200 -0.071 0.000 1.031 802 S CB 1.376 64.535 63.200 -0.069 0.000 0.892 802 S HN 0.692 nan 8.310 nan 0.000 0.529 803 Q N 1.336 121.104 119.800 -0.053 0.000 2.124 803 Q HA -0.134 4.207 4.340 0.002 0.000 0.202 803 Q C 1.683 177.648 176.000 -0.057 0.000 0.977 803 Q CA 2.241 58.014 55.803 -0.050 0.000 0.850 803 Q CB -0.397 28.317 28.738 -0.040 0.000 0.901 803 Q HN 0.927 nan 8.270 nan 0.000 0.429 804 E N 0.127 120.293 120.200 -0.057 0.000 2.038 804 E HA -0.171 4.180 4.350 0.002 0.000 0.195 804 E C 1.870 178.425 176.600 -0.076 0.000 1.000 804 E CA 1.488 57.852 56.400 -0.059 0.000 0.803 804 E CB -0.316 29.352 29.700 -0.053 0.000 0.750 804 E HN 0.375 nan 8.360 nan 0.000 0.448 805 I N 0.751 121.270 120.570 -0.085 0.000 2.493 805 I HA -0.282 3.889 4.170 0.002 0.000 0.254 805 I C 2.027 178.058 176.117 -0.143 0.000 1.160 805 I CA 1.142 62.375 61.300 -0.111 0.000 1.445 805 I CB -0.056 37.882 38.000 -0.105 0.000 1.086 805 I HN 0.215 nan 8.210 nan 0.000 0.433 806 Q N -0.001 119.728 119.800 -0.119 0.000 2.167 806 Q HA -0.212 4.129 4.340 0.002 0.000 0.202 806 Q C 1.553 177.479 176.000 -0.123 0.000 0.970 806 Q CA 1.261 56.988 55.803 -0.127 0.000 0.855 806 Q CB -0.018 28.672 28.738 -0.080 0.000 0.911 806 Q HN 0.445 nan 8.270 nan 0.000 0.438 807 D N -0.000 120.344 120.400 -0.094 0.000 2.218 807 D HA -0.104 4.537 4.640 0.002 0.000 0.204 807 D C 1.832 178.078 176.300 -0.089 0.000 0.976 807 D CA 0.636 54.591 54.000 -0.075 0.000 0.853 807 D CB 0.126 40.892 40.800 -0.055 0.000 0.939 807 D HN 0.030 nan 8.370 nan 0.000 0.481 808 V N 0.616 120.459 119.914 -0.120 0.000 2.379 808 V HA -0.192 3.929 4.120 0.002 0.000 0.245 808 V C 2.456 178.437 176.094 -0.189 0.000 1.044 808 V CA 1.154 63.376 62.300 -0.131 0.000 1.036 808 V CB -0.235 31.503 31.823 -0.141 0.000 0.664 808 V HN 0.194 nan 8.190 nan 0.000 0.453 809 M N -1.017 118.394 119.600 -0.316 0.000 2.117 809 M HA -0.197 4.284 4.480 0.002 0.000 0.262 809 M C 2.397 178.572 176.300 -0.207 0.000 1.065 809 M CA 1.822 56.800 55.300 -0.536 0.000 1.114 809 M CB -0.462 31.638 32.600 -0.833 0.000 1.361 809 M HN 0.188 nan 8.290 nan 0.000 0.408 810 R N -0.189 120.240 120.500 -0.117 0.000 2.091 810 R HA -0.221 4.120 4.340 0.002 0.000 0.238 810 R C 2.231 178.539 176.300 0.013 0.000 1.136 810 R CA 1.758 57.843 56.100 -0.025 0.000 0.959 810 R CB -0.353 29.933 30.300 -0.024 0.000 0.856 810 R HN 0.333 nan 8.270 nan 0.000 0.437 811 Q N 0.718 120.516 119.800 -0.004 0.000 2.119 811 Q HA -0.150 4.191 4.340 0.002 0.000 0.201 811 Q C 1.892 177.929 176.000 0.062 0.000 0.972 811 Q CA 1.560 57.380 55.803 0.028 0.000 0.847 811 Q CB 0.134 28.876 28.738 0.005 0.000 0.903 811 Q HN 0.333 nan 8.270 nan 0.000 0.433 812 Q N -0.909 118.931 119.800 0.066 0.000 2.119 812 Q HA -0.104 4.237 4.340 0.002 0.000 0.201 812 Q C 2.098 178.210 176.000 0.188 0.000 0.972 812 Q CA 1.459 57.345 55.803 0.138 0.000 0.847 812 Q CB 0.084 28.941 28.738 0.199 0.000 0.903 812 Q HN 0.277 nan 8.270 nan 0.000 0.433 813 V N 1.032 121.071 119.914 0.207 0.000 2.407 813 V HA -0.309 3.812 4.120 0.002 0.000 0.248 813 V C 2.299 178.439 176.094 0.077 0.000 1.055 813 V CA 2.090 64.495 62.300 0.174 0.000 1.049 813 V CB -0.505 31.419 31.823 0.169 0.000 0.662 813 V HN 0.419 nan 8.190 nan 0.000 0.455 814 Q N -0.189 119.655 119.800 0.073 0.000 2.079 814 Q HA -0.252 4.089 4.340 0.002 0.000 0.200 814 Q C 2.291 178.381 176.000 0.149 0.000 0.974 814 Q CA 1.766 57.606 55.803 0.062 0.000 0.840 814 Q CB -0.018 28.808 28.738 0.145 0.000 0.898 814 Q HN 0.562 nan 8.270 nan 0.000 0.430 815 K N 0.063 120.557 120.400 0.157 0.000 2.063 815 K HA -0.139 4.182 4.320 0.002 0.000 0.208 815 K C 2.012 178.697 176.600 0.142 0.000 1.048 815 K CA 1.353 57.739 56.287 0.164 0.000 0.928 815 K CB -0.085 32.482 32.500 0.110 0.000 0.713 815 K HN 0.189 nan 8.250 nan 0.000 0.442 816 L N 0.059 121.347 121.223 0.109 0.000 2.056 816 L HA -0.169 4.172 4.340 0.002 0.000 0.207 816 L C 2.450 179.356 176.870 0.059 0.000 1.078 816 L CA 1.244 56.142 54.840 0.096 0.000 0.749 816 L CB -0.532 41.594 42.059 0.112 0.000 0.901 816 L HN 0.209 nan 8.230 nan 0.000 0.433 817 A N 0.053 122.862 122.820 -0.019 0.000 1.865 817 A HA -0.240 4.081 4.320 0.002 0.000 0.217 817 A C 2.053 179.563 177.584 -0.124 0.000 1.191 817 A CA 1.866 53.817 52.037 -0.144 0.000 0.623 817 A CB -0.947 17.854 19.000 -0.332 0.000 0.826 817 A HN 0.300 nan 8.150 nan 0.000 0.444 818 F N -0.180 119.797 119.950 0.044 0.000 2.134 818 F HA -0.074 4.454 4.527 0.002 0.000 0.299 818 F C 2.373 178.194 175.800 0.034 0.000 1.097 818 F CA 1.617 59.638 58.000 0.035 0.000 1.264 818 F CB -0.670 38.347 39.000 0.029 0.000 1.001 818 F HN 0.383 nan 8.300 nan 0.000 0.479 819 E N 0.745 121.066 120.200 0.202 0.000 2.072 819 E HA -0.142 4.209 4.350 0.002 0.000 0.191 819 E C 1.861 178.523 176.600 0.102 0.000 0.985 819 E CA 1.273 57.752 56.400 0.132 0.000 0.801 819 E CB -0.478 29.285 29.700 0.104 0.000 0.750 819 E HN 0.429 nan 8.360 nan 0.000 0.452 820 L N 0.141 121.418 121.223 0.091 0.000 2.552 820 L HA 0.038 4.379 4.340 0.002 0.000 0.227 820 L C 0.325 177.231 176.870 0.061 0.000 1.146 820 L CA 0.272 55.157 54.840 0.075 0.000 0.858 820 L CB -0.107 41.997 42.059 0.075 0.000 0.969 820 L HN 0.173 nan 8.230 nan 0.000 0.451 821 Q N -0.903 118.939 119.800 0.071 0.000 2.493 821 Q HA -0.142 4.199 4.340 0.002 0.000 0.278 821 Q C -0.208 175.813 176.000 0.036 0.000 1.216 821 Q CA 0.318 56.160 55.803 0.065 0.000 0.875 821 Q CB -2.405 26.367 28.738 0.057 0.000 1.262 821 Q HN 0.242 nan 8.270 nan 0.000 0.468 822 V N 1.675 121.594 119.914 0.009 0.000 2.763 822 V HA 0.145 4.266 4.120 0.002 0.000 0.306 822 V C 0.978 177.067 176.094 -0.008 0.000 1.059 822 V CA 0.559 62.855 62.300 -0.007 0.000 1.138 822 V CB 0.903 32.705 31.823 -0.034 0.000 0.940 822 V HN 0.154 nan 8.190 nan 0.000 0.489 823 R N 3.556 124.059 120.500 0.005 0.000 2.680 823 R HA 0.583 4.924 4.340 0.002 0.000 0.278 823 R C 0.234 176.545 176.300 0.018 0.000 1.582 823 R CA 0.342 56.447 56.100 0.010 0.000 1.177 823 R CB 1.056 31.363 30.300 0.013 0.000 1.232 823 R HN 1.110 nan 8.270 nan 0.000 0.528 824 G N 1.491 110.309 108.800 0.030 0.000 2.395 824 G HA2 -0.169 3.792 3.960 0.002 0.000 0.201 824 G HA3 -0.169 3.792 3.960 0.002 0.000 0.201 824 G C -1.003 173.947 174.900 0.084 0.000 1.206 824 G CA -0.915 44.229 45.100 0.073 0.000 1.210 824 G HN 0.287 nan 8.290 nan 0.000 0.557 825 L N 1.697 123.007 121.223 0.145 0.000 2.453 825 L HA 0.772 5.113 4.340 0.002 0.000 0.261 825 L C 0.925 177.833 176.870 0.063 0.000 1.179 825 L CA 0.048 54.947 54.840 0.098 0.000 0.813 825 L CB 1.214 43.329 42.059 0.093 0.000 1.110 825 L HN 0.963 nan 8.230 nan 0.000 0.466 826 M N 1.846 121.468 119.600 0.037 0.000 2.682 826 M HA 0.460 4.941 4.480 0.002 0.000 0.272 826 M C -2.012 174.300 176.300 0.020 0.000 1.232 826 M CA -0.762 54.551 55.300 0.022 0.000 0.849 826 M CB 2.471 35.072 32.600 0.002 0.000 1.695 826 M HN 0.557 nan 8.290 nan 0.000 0.481 827 N N 1.645 120.350 118.700 0.009 0.000 2.336 827 N HA 0.617 5.358 4.740 0.002 0.000 0.290 827 N C -2.416 173.076 175.510 -0.031 0.000 1.058 827 N CA -0.284 52.773 53.050 0.012 0.000 0.865 827 N CB 2.917 41.419 38.487 0.026 0.000 1.581 827 N HN 0.657 nan 8.380 nan 0.000 0.480 828 V N 2.650 122.544 119.914 -0.034 0.000 2.540 828 V HA 0.434 4.555 4.120 0.002 0.000 0.302 828 V C -0.481 175.466 176.094 -0.244 0.000 1.035 828 V CA -0.712 61.488 62.300 -0.167 0.000 0.873 828 V CB 1.680 33.407 31.823 -0.158 0.000 0.992 828 V HN 0.608 nan 8.190 nan 0.000 0.428 829 Q N 3.881 123.445 119.800 -0.392 0.000 2.331 829 Q HA 0.704 5.045 4.340 0.002 0.000 0.267 829 Q C -1.573 174.134 176.000 -0.488 0.000 1.006 829 Q CA -0.324 55.298 55.803 -0.301 0.000 0.818 829 Q CB 2.434 31.088 28.738 -0.140 0.000 1.276 829 Q HN 0.637 nan 8.270 nan 0.000 0.450 830 F N 0.436 120.380 119.950 -0.011 0.000 2.639 830 F HA 0.820 5.348 4.527 0.002 0.000 0.339 830 F C -0.130 175.656 175.800 -0.024 0.000 1.071 830 F CA -1.193 56.814 58.000 0.012 0.000 0.994 830 F CB 1.587 40.593 39.000 0.010 0.000 1.341 830 F HN 0.518 nan 8.300 nan 0.000 0.498 831 A N 0.733 123.712 122.820 0.265 0.000 2.359 831 A HA 0.736 5.057 4.320 0.002 0.000 0.303 831 A C -1.743 175.947 177.584 0.176 0.000 1.066 831 A CA -0.641 51.463 52.037 0.112 0.000 0.730 831 A CB 1.132 20.126 19.000 -0.010 0.000 1.211 831 A HN 0.485 nan 8.150 nan 0.000 0.439 832 V N 3.026 122.989 119.914 0.082 0.000 2.347 832 V HA 0.490 4.611 4.120 0.002 0.000 0.280 832 V C 0.108 176.235 176.094 0.055 0.000 1.021 832 V CA -0.379 61.980 62.300 0.100 0.000 0.847 832 V CB 1.226 33.056 31.823 0.011 0.000 0.990 832 V HN 0.829 nan 8.190 nan 0.000 0.444 833 K N 4.047 124.534 120.400 0.144 0.000 2.507 833 K HA 0.408 4.729 4.320 0.002 0.000 0.252 833 K C 0.067 176.739 176.600 0.119 0.000 0.943 833 K CA -0.579 55.729 56.287 0.035 0.000 0.808 833 K CB 0.838 33.232 32.500 -0.177 0.000 1.142 833 K HN 0.794 nan 8.250 nan 0.000 0.426 834 N N 3.783 122.505 118.700 0.038 0.000 2.725 834 N HA -0.273 4.468 4.740 0.002 0.000 0.251 834 N C -0.512 175.022 175.510 0.039 0.000 1.031 834 N CA 0.834 53.905 53.050 0.035 0.000 0.720 834 N CB -1.039 37.474 38.487 0.043 0.000 0.930 834 N HN 0.980 nan 8.380 nan 0.000 0.543 835 N N -1.038 117.673 118.700 0.018 0.000 2.741 835 N HA -0.207 4.534 4.740 0.002 0.000 0.251 835 N C -1.364 174.141 175.510 -0.009 0.000 1.112 835 N CA 1.137 54.183 53.050 -0.007 0.000 0.750 835 N CB -0.171 38.302 38.487 -0.024 0.000 1.119 835 N HN 0.521 nan 8.380 nan 0.000 0.561 836 E N 0.316 120.542 120.200 0.045 0.000 2.266 836 E HA 0.354 4.705 4.350 0.002 0.000 0.268 836 E C -0.543 176.028 176.600 -0.048 0.000 0.879 836 E CA -0.705 55.664 56.400 -0.052 0.000 0.762 836 E CB 2.720 32.377 29.700 -0.072 0.000 1.199 836 E HN -0.034 nan 8.360 nan 0.000 0.422 837 V N 3.440 123.236 119.914 -0.197 0.000 2.465 837 V HA 0.294 4.415 4.120 0.002 0.000 0.279 837 V C -0.828 175.167 176.094 -0.166 0.000 1.045 837 V CA -0.267 61.984 62.300 -0.082 0.000 0.938 837 V CB 0.151 31.894 31.823 -0.133 0.000 0.986 837 V HN 0.534 nan 8.190 nan 0.000 0.467 838 Y N 3.947 124.328 120.300 0.135 0.000 2.485 838 Y HA 0.590 5.141 4.550 0.002 0.000 0.345 838 Y C -0.265 175.771 175.900 0.226 0.000 0.998 838 Y CA -1.213 56.968 58.100 0.135 0.000 1.059 838 Y CB 1.824 40.323 38.460 0.064 0.000 1.234 838 Y HN 0.331 nan 8.280 nan 0.000 0.461 839 L N 3.232 124.625 121.223 0.285 0.000 2.275 839 L HA 0.391 4.732 4.340 0.002 0.000 0.288 839 L C 0.115 177.061 176.870 0.126 0.000 1.046 839 L CA 0.177 55.096 54.840 0.132 0.000 0.805 839 L CB 0.856 42.992 42.059 0.129 0.000 1.193 839 L HN 0.807 nan 8.230 nan 0.000 0.426 840 I N 2.114 122.687 120.570 0.006 0.000 2.729 840 I HA 0.109 4.280 4.170 0.002 0.000 0.256 840 I C 0.252 176.357 176.117 -0.020 0.000 1.115 840 I CA 0.248 61.555 61.300 0.011 0.000 1.446 840 I CB 0.584 38.560 38.000 -0.040 0.000 1.176 840 I HN 0.736 nan 8.210 nan 0.000 0.446 841 E N -0.591 119.519 120.200 -0.150 0.000 2.403 841 E HA 0.355 4.706 4.350 0.002 0.000 0.280 841 E C -1.730 174.636 176.600 -0.391 0.000 1.101 841 E CA -0.739 55.444 56.400 -0.362 0.000 0.856 841 E CB 1.985 31.485 29.700 -0.333 0.000 1.303 841 E HN -0.217 nan 8.360 nan 0.000 0.441 842 V N 2.167 121.727 119.914 -0.591 0.000 2.444 842 V HA 0.441 4.562 4.120 0.002 0.000 0.294 842 V C -0.955 174.987 176.094 -0.254 0.000 1.022 842 V CA -0.934 61.175 62.300 -0.318 0.000 0.850 842 V CB 1.609 33.322 31.823 -0.183 0.000 0.992 842 V HN 0.598 nan 8.190 nan 0.000 0.426 843 N N 6.419 125.037 118.700 -0.137 0.000 2.558 843 N HA 0.333 5.074 4.740 0.002 0.000 0.242 843 N C -2.630 172.860 175.510 -0.032 0.000 0.979 843 N CA -1.392 51.611 53.050 -0.079 0.000 0.931 843 N CB 2.146 40.615 38.487 -0.031 0.000 1.122 843 N HN 0.371 nan 8.380 nan 0.000 0.508 844 P HA 0.102 nan 4.420 nan 0.000 0.225 844 P C -0.341 176.978 177.300 0.031 0.000 1.768 844 P CA 0.162 63.262 63.100 -0.000 0.000 0.943 844 P CB -0.136 31.560 31.700 -0.007 0.000 1.936 845 R N -1.449 119.083 120.500 0.054 0.000 2.855 845 R HA 0.699 5.040 4.340 0.002 0.000 0.274 845 R C -1.341 175.028 176.300 0.115 0.000 0.997 845 R CA -1.157 55.006 56.100 0.105 0.000 0.856 845 R CB -0.101 30.252 30.300 0.088 0.000 1.378 845 R HN -0.127 nan 8.270 nan 0.000 0.462 846 A N 0.631 123.537 122.820 0.143 0.000 2.492 846 A HA 0.580 4.901 4.320 0.002 0.000 0.254 846 A C 0.143 177.829 177.584 0.169 0.000 1.091 846 A CA 0.354 52.418 52.037 0.046 0.000 0.768 846 A CB -0.138 18.766 19.000 -0.159 0.000 1.028 846 A HN 0.807 nan 8.150 nan 0.000 0.498 847 A N 2.358 125.228 122.820 0.084 0.000 2.299 847 A HA 0.608 4.929 4.320 0.002 0.000 0.332 847 A C 1.260 178.785 177.584 -0.098 0.000 1.131 847 A CA -0.357 51.758 52.037 0.129 0.000 0.844 847 A CB 0.487 19.540 19.000 0.089 0.000 1.251 847 A HN 1.048 nan 8.150 nan 0.000 0.486 848 R N -0.404 119.989 120.500 -0.178 0.000 2.303 848 R HA -0.109 4.232 4.340 0.002 0.000 0.225 848 R C 0.765 176.914 176.300 -0.252 0.000 1.114 848 R CA 1.964 57.783 56.100 -0.467 0.000 1.007 848 R CB -0.972 29.104 30.300 -0.374 0.000 0.861 848 R HN 0.642 nan 8.270 nan 0.000 0.471 849 T N -2.291 112.204 114.554 -0.099 0.000 3.100 849 T HA 0.146 4.497 4.350 0.002 0.000 0.253 849 T C 1.811 176.511 174.700 0.001 0.000 1.118 849 T CA 0.188 62.288 62.100 0.000 0.000 1.058 849 T CB 0.207 69.129 68.868 0.090 0.000 0.953 849 T HN 0.022 nan 8.240 nan 0.000 0.515 850 V N 2.836 122.697 119.914 -0.088 0.000 2.332 850 V HA -0.101 4.020 4.120 0.002 0.000 0.248 850 V C -0.176 175.847 176.094 -0.120 0.000 1.055 850 V CA 1.850 64.097 62.300 -0.088 0.000 1.038 850 V CB -1.301 30.453 31.823 -0.115 0.000 0.651 850 V HN 0.402 nan 8.190 nan 0.000 0.450 851 P HA -0.185 nan 4.420 nan 0.000 0.215 851 P C 1.772 178.950 177.300 -0.203 0.000 1.157 851 P CA 1.520 64.325 63.100 -0.493 0.000 0.863 851 P CB -0.188 30.919 31.700 -0.988 0.000 0.787 852 F N 0.579 120.395 119.950 -0.224 0.000 2.091 852 F HA -0.247 4.281 4.527 0.002 0.000 0.299 852 F C 1.929 177.707 175.800 -0.036 0.000 1.103 852 F CA 1.431 59.365 58.000 -0.109 0.000 1.228 852 F CB -0.655 38.297 39.000 -0.080 0.000 0.984 852 F HN -0.309 nan 8.300 nan 0.000 0.477 853 V N -0.257 119.581 119.914 -0.127 0.000 2.343 853 V HA -0.306 3.815 4.120 0.002 0.000 0.247 853 V C 2.419 178.417 176.094 -0.159 0.000 1.051 853 V CA 2.087 64.263 62.300 -0.207 0.000 1.036 853 V CB -0.986 30.807 31.823 -0.050 0.000 0.654 853 V HN 0.377 nan 8.190 nan 0.000 0.451 854 S N -0.586 115.070 115.700 -0.074 0.000 2.370 854 S HA -0.207 4.264 4.470 0.002 0.000 0.226 854 S C 2.095 176.700 174.600 0.009 0.000 1.033 854 S CA 1.346 59.542 58.200 -0.006 0.000 1.011 854 S CB -0.295 62.963 63.200 0.096 0.000 0.852 854 S HN 0.379 nan 8.310 nan 0.000 0.457 855 K N 1.869 122.274 120.400 0.008 0.000 2.025 855 K HA 0.200 4.521 4.320 0.002 0.000 0.207 855 K C 2.206 178.892 176.600 0.144 0.000 1.049 855 K CA 1.298 57.650 56.287 0.109 0.000 0.933 855 K CB -1.045 31.473 32.500 0.029 0.000 0.714 855 K HN 0.318 nan 8.250 nan 0.000 0.438 856 A N 0.285 123.045 122.820 -0.100 0.000 1.969 856 A HA -0.119 4.202 4.320 0.002 0.000 0.218 856 A C 2.056 179.659 177.584 0.033 0.000 1.169 856 A CA 2.317 54.314 52.037 -0.066 0.000 0.635 856 A CB -0.635 18.108 19.000 -0.428 0.000 0.810 856 A HN 0.479 nan 8.150 nan 0.000 0.445 857 T N -5.752 108.756 114.554 -0.077 0.000 3.023 857 T HA 0.420 4.771 4.350 0.002 0.000 0.253 857 T C 1.411 175.965 174.700 -0.243 0.000 1.038 857 T CA 1.076 63.100 62.100 -0.126 0.000 0.962 857 T CB 0.309 69.100 68.868 -0.129 0.000 1.018 857 T HN 1.665 nan 8.240 nan 0.000 0.521 858 G N 0.938 109.458 108.800 -0.466 0.000 2.184 858 G HA2 -0.241 3.720 3.960 0.002 0.000 0.264 858 G HA3 -0.241 3.720 3.960 0.002 0.000 0.264 858 G C 0.056 174.738 174.900 -0.363 0.000 0.975 858 G CA 0.148 44.688 45.100 -0.934 0.000 0.642 858 G HN 0.789 nan 8.290 nan 0.000 0.536 859 V N 2.366 122.168 119.914 -0.186 0.000 2.383 859 V HA 0.480 4.601 4.120 0.002 0.000 0.275 859 V C -1.627 174.464 176.094 -0.004 0.000 1.036 859 V CA -1.359 60.892 62.300 -0.082 0.000 0.889 859 V CB 1.723 33.510 31.823 -0.061 0.000 0.985 859 V HN 0.158 nan 8.190 nan 0.000 0.459 860 P HA 0.240 nan 4.420 nan 0.000 0.231 860 P C 1.042 178.420 177.300 0.131 0.000 1.811 860 P CA -0.184 62.993 63.100 0.129 0.000 1.051 860 P CB 0.366 32.098 31.700 0.052 0.000 1.951 861 L N 1.360 122.647 121.223 0.107 0.000 2.034 861 L HA -0.302 4.039 4.340 0.002 0.000 0.217 861 L C 2.506 179.440 176.870 0.108 0.000 1.077 861 L CA 2.287 57.174 54.840 0.079 0.000 0.769 861 L CB -1.196 40.887 42.059 0.040 0.000 0.890 861 L HN 0.184 nan 8.230 nan 0.000 0.435 862 A N -0.519 122.382 122.820 0.135 0.000 1.969 862 A HA -0.180 4.141 4.320 0.002 0.000 0.218 862 A C 2.326 180.076 177.584 0.277 0.000 1.169 862 A CA 1.544 53.659 52.037 0.130 0.000 0.635 862 A CB -0.282 18.724 19.000 0.010 0.000 0.810 862 A HN 0.373 nan 8.150 nan 0.000 0.445 863 K N -0.490 120.033 120.400 0.205 0.000 2.031 863 K HA -0.023 4.298 4.320 0.002 0.000 0.205 863 K C 1.879 178.538 176.600 0.099 0.000 1.049 863 K CA 1.313 57.665 56.287 0.109 0.000 0.939 863 K CB -0.311 32.179 32.500 -0.017 0.000 0.717 863 K HN 0.290 nan 8.250 nan 0.000 0.438 864 V N 1.540 121.508 119.914 0.091 0.000 2.295 864 V HA -0.245 3.876 4.120 0.002 0.000 0.246 864 V C 2.351 178.499 176.094 0.090 0.000 1.049 864 V CA 2.111 64.454 62.300 0.072 0.000 1.024 864 V CB -0.712 31.144 31.823 0.055 0.000 0.648 864 V HN 0.351 nan 8.190 nan 0.000 0.447 865 A N -0.148 122.754 122.820 0.137 0.000 1.969 865 A HA -0.018 4.303 4.320 0.002 0.000 0.218 865 A C 2.378 180.052 177.584 0.150 0.000 1.169 865 A CA 1.823 53.958 52.037 0.163 0.000 0.635 865 A CB -0.608 18.532 19.000 0.233 0.000 0.810 865 A HN 0.561 nan 8.150 nan 0.000 0.445 866 A N -0.123 122.803 122.820 0.177 0.000 1.930 866 A HA -0.103 4.218 4.320 0.002 0.000 0.217 866 A C 2.228 179.786 177.584 -0.044 0.000 1.175 866 A CA 1.412 53.450 52.037 0.002 0.000 0.627 866 A CB -0.372 18.660 19.000 0.055 0.000 0.815 866 A HN 0.531 nan 8.150 nan 0.000 0.443 867 R N -0.816 119.692 120.500 0.012 0.000 2.075 867 R HA -0.038 4.303 4.340 0.002 0.000 0.232 867 R C 2.042 178.351 176.300 0.014 0.000 1.126 867 R CA 1.268 57.377 56.100 0.015 0.000 0.963 867 R CB -0.549 29.778 30.300 0.045 0.000 0.858 867 R HN 0.347 nan 8.270 nan 0.000 0.435 868 V N 1.347 121.276 119.914 0.024 0.000 2.255 868 V HA -0.328 3.793 4.120 0.002 0.000 0.247 868 V C 2.328 178.422 176.094 0.000 0.000 1.051 868 V CA 1.963 64.277 62.300 0.023 0.000 1.018 868 V CB -0.347 31.495 31.823 0.033 0.000 0.641 868 V HN 0.354 nan 8.190 nan 0.000 0.445 869 M N -0.547 119.038 119.600 -0.027 0.000 2.149 869 M HA -0.192 4.289 4.480 0.002 0.000 0.261 869 M C 2.143 178.393 176.300 -0.083 0.000 1.064 869 M CA 2.111 57.372 55.300 -0.065 0.000 1.102 869 M CB -0.467 32.056 32.600 -0.129 0.000 1.369 869 M HN 0.427 nan 8.290 nan 0.000 0.408 870 A N -0.988 121.770 122.820 -0.104 0.000 2.119 870 A HA 0.251 4.572 4.320 0.002 0.000 0.216 870 A C 1.777 179.360 177.584 -0.002 0.000 1.152 870 A CA 1.356 53.317 52.037 -0.127 0.000 0.708 870 A CB -0.340 18.486 19.000 -0.290 0.000 0.805 870 A HN 0.629 nan 8.150 nan 0.000 0.460 871 G N -1.616 107.196 108.800 0.020 0.000 2.485 871 G HA2 -0.108 3.853 3.960 0.002 0.000 0.181 871 G HA3 -0.108 3.853 3.960 0.002 0.000 0.181 871 G C 0.161 175.093 174.900 0.054 0.000 0.999 871 G CA 0.076 45.205 45.100 0.047 0.000 0.721 871 G HN 0.423 nan 8.290 nan 0.000 0.486 872 K N 2.403 122.837 120.400 0.057 0.000 2.253 872 K HA 0.552 4.873 4.320 0.002 0.000 0.277 872 K C 1.173 177.799 176.600 0.043 0.000 1.053 872 K CA 0.265 56.584 56.287 0.053 0.000 0.892 872 K CB 0.779 33.317 32.500 0.063 0.000 1.102 872 K HN 0.396 nan 8.250 nan 0.000 0.469 873 S N 3.422 119.146 115.700 0.040 0.000 2.580 873 S HA -0.008 4.463 4.470 0.002 0.000 0.261 873 S C 1.382 176.004 174.600 0.038 0.000 1.366 873 S CA -0.304 57.921 58.200 0.041 0.000 0.996 873 S CB 0.441 63.666 63.200 0.041 0.000 0.902 873 S HN 0.651 nan 8.310 nan 0.000 0.566 874 L N 1.351 122.598 121.223 0.039 0.000 2.093 874 L HA -0.014 4.327 4.340 0.002 0.000 0.208 874 L C 3.041 179.929 176.870 0.030 0.000 1.085 874 L CA 1.382 56.242 54.840 0.034 0.000 0.755 874 L CB -1.123 40.957 42.059 0.034 0.000 0.904 874 L HN 0.931 nan 8.230 nan 0.000 0.435 875 A N 0.201 123.041 122.820 0.033 0.000 1.877 875 A HA -0.222 4.099 4.320 0.002 0.000 0.216 875 A C 2.142 179.740 177.584 0.023 0.000 1.186 875 A CA 1.639 53.693 52.037 0.028 0.000 0.620 875 A CB -0.442 18.576 19.000 0.030 0.000 0.822 875 A HN 0.421 nan 8.150 nan 0.000 0.443 876 E N -0.298 119.917 120.200 0.026 0.000 2.204 876 E HA -0.203 4.148 4.350 0.002 0.000 0.195 876 E C 2.075 178.688 176.600 0.022 0.000 0.990 876 E CA 1.337 57.751 56.400 0.023 0.000 0.821 876 E CB -0.117 29.599 29.700 0.027 0.000 0.750 876 E HN 0.772 nan 8.360 nan 0.000 0.477 877 Q N -1.008 118.806 119.800 0.023 0.000 2.402 877 Q HA 0.107 4.448 4.340 0.002 0.000 0.206 877 Q C 1.034 177.043 176.000 0.014 0.000 0.919 877 Q CA 0.490 56.305 55.803 0.021 0.000 0.923 877 Q CB 0.870 29.623 28.738 0.024 0.000 1.048 877 Q HN 0.320 nan 8.270 nan 0.000 0.515 878 G N 1.078 109.886 108.800 0.014 0.000 2.149 878 G HA2 -0.212 3.749 3.960 0.002 0.000 0.235 878 G HA3 -0.212 3.749 3.960 0.002 0.000 0.235 878 G C -0.160 174.744 174.900 0.006 0.000 1.018 878 G CA 0.052 45.157 45.100 0.009 0.000 0.728 878 G HN 0.198 nan 8.290 nan 0.000 0.508 879 V N 1.184 121.103 119.914 0.009 0.000 2.327 879 V HA 0.603 4.724 4.120 0.002 0.000 0.272 879 V C 0.817 176.917 176.094 0.010 0.000 1.019 879 V CA 0.399 62.703 62.300 0.006 0.000 0.814 879 V CB 0.980 32.808 31.823 0.007 0.000 1.040 879 V HN 0.706 nan 8.190 nan 0.000 0.440 880 T N -0.775 113.783 114.554 0.008 0.000 3.087 880 T HA 0.335 4.686 4.350 0.002 0.000 0.283 880 T C 0.272 174.978 174.700 0.009 0.000 0.956 880 T CA -0.331 61.777 62.100 0.014 0.000 0.894 880 T CB 0.392 69.270 68.868 0.017 0.000 1.160 880 T HN 0.417 nan 8.240 nan 0.000 0.532 881 K N 1.978 122.378 120.400 -0.001 0.000 2.378 881 K HA 0.435 4.756 4.320 0.002 0.000 0.252 881 K C -0.756 175.834 176.600 -0.017 0.000 0.931 881 K CA -0.579 55.703 56.287 -0.007 0.000 0.794 881 K CB 2.841 35.334 32.500 -0.011 0.000 1.181 881 K HN 0.276 nan 8.250 nan 0.000 0.425 882 E N 2.329 122.518 120.200 -0.017 0.000 2.415 882 E HA 0.048 4.399 4.350 0.002 0.000 0.263 882 E C -0.871 175.703 176.600 -0.042 0.000 0.995 882 E CA -0.278 56.106 56.400 -0.026 0.000 0.915 882 E CB 0.747 30.434 29.700 -0.022 0.000 0.951 882 E HN 0.175 nan 8.360 nan 0.000 0.449 883 V N 6.340 126.220 119.914 -0.056 0.000 2.472 883 V HA 0.265 4.386 4.120 0.002 0.000 0.290 883 V C 0.078 176.112 176.094 -0.101 0.000 1.037 883 V CA -0.634 61.619 62.300 -0.078 0.000 0.908 883 V CB 1.451 33.220 31.823 -0.090 0.000 0.985 883 V HN 0.593 nan 8.190 nan 0.000 0.454 884 I N 6.172 126.669 120.570 -0.121 0.000 2.437 884 I HA 0.363 4.534 4.170 0.002 0.000 0.279 884 I C -2.272 173.707 176.117 -0.230 0.000 1.028 884 I CA -1.915 59.291 61.300 -0.156 0.000 1.142 884 I CB 1.398 39.323 38.000 -0.125 0.000 1.266 884 I HN 0.439 nan 8.210 nan 0.000 0.461 885 P HA 0.166 nan 4.420 nan 0.000 0.269 885 P C -2.045 174.909 177.300 -0.576 0.000 1.217 885 P CA -0.834 61.921 63.100 -0.575 0.000 0.783 885 P CB -0.069 31.037 31.700 -0.990 0.000 0.898 886 P HA 0.058 nan 4.420 nan 0.000 0.249 886 P C -0.486 176.669 177.300 -0.243 0.000 1.229 886 P CA 0.705 63.629 63.100 -0.294 0.000 0.788 886 P CB -0.153 31.491 31.700 -0.093 0.000 1.072 887 Y N -3.265 116.988 120.300 -0.078 0.000 2.662 887 Y HA 0.645 5.196 4.550 0.002 0.000 0.335 887 Y C -0.353 175.492 175.900 -0.091 0.000 1.066 887 Y CA -2.168 55.910 58.100 -0.038 0.000 1.116 887 Y CB 0.174 38.650 38.460 0.028 0.000 1.308 887 Y HN -0.350 nan 8.280 nan 0.000 0.502 888 Y N 0.479 120.956 120.300 0.295 0.000 2.310 888 Y HA 0.539 5.090 4.550 0.002 0.000 0.326 888 Y C -0.073 176.011 175.900 0.306 0.000 1.151 888 Y CA -0.119 58.129 58.100 0.247 0.000 1.195 888 Y CB 1.873 40.468 38.460 0.225 0.000 1.210 888 Y HN 0.594 nan 8.280 nan 0.000 0.483 889 S N 2.364 118.333 115.700 0.447 0.000 2.596 889 S HA 0.564 5.035 4.470 0.002 0.000 0.318 889 S C -1.064 173.878 174.600 0.570 0.000 1.097 889 S CA -0.704 57.738 58.200 0.403 0.000 1.080 889 S CB 0.947 64.240 63.200 0.156 0.000 0.991 889 S HN 0.333 nan 8.310 nan 0.000 0.471 890 V N 4.554 124.719 119.914 0.420 0.000 2.459 890 V HA 0.507 4.628 4.120 0.002 0.000 0.295 890 V C 0.016 176.133 176.094 0.038 0.000 1.029 890 V CA -0.754 61.698 62.300 0.253 0.000 0.874 890 V CB 1.766 33.626 31.823 0.062 0.000 0.985 890 V HN 0.711 nan 8.190 nan 0.000 0.438 891 K N 3.890 124.120 120.400 -0.284 0.000 2.206 891 K HA 0.647 4.968 4.320 0.002 0.000 0.264 891 K C -0.951 175.456 176.600 -0.322 0.000 0.967 891 K CA -0.395 55.552 56.287 -0.566 0.000 0.844 891 K CB 2.127 33.857 32.500 -1.284 0.000 1.099 891 K HN 0.734 nan 8.250 nan 0.000 0.441 892 E N 2.558 122.594 120.200 -0.274 0.000 2.336 892 E HA 0.387 4.738 4.350 0.002 0.000 0.267 892 E C -1.297 175.196 176.600 -0.179 0.000 0.906 892 E CA -0.878 55.391 56.400 -0.220 0.000 0.781 892 E CB 1.776 31.305 29.700 -0.285 0.000 1.261 892 E HN 0.408 nan 8.360 nan 0.000 0.436 893 V N 0.352 120.187 119.914 -0.131 0.000 3.096 893 V HA 0.877 4.998 4.120 0.002 0.000 0.319 893 V C -0.364 175.679 176.094 -0.084 0.000 1.103 893 V CA -0.532 61.705 62.300 -0.106 0.000 1.016 893 V CB 1.534 33.306 31.823 -0.086 0.000 1.090 893 V HN 0.657 nan 8.190 nan 0.000 0.449 894 V N 0.646 120.513 119.914 -0.078 0.000 2.487 894 V HA 0.779 4.900 4.120 0.002 0.000 0.298 894 V C -0.711 175.327 176.094 -0.092 0.000 1.028 894 V CA -0.577 61.681 62.300 -0.069 0.000 0.860 894 V CB 0.955 32.742 31.823 -0.059 0.000 0.991 894 V HN 0.876 nan 8.190 nan 0.000 0.427 895 L N 5.936 127.090 121.223 -0.115 0.000 2.334 895 L HA 0.674 5.015 4.340 0.002 0.000 0.273 895 L C -1.648 175.070 176.870 -0.254 0.000 1.013 895 L CA -1.448 53.239 54.840 -0.256 0.000 0.816 895 L CB 2.492 44.296 42.059 -0.425 0.000 1.278 895 L HN 0.458 nan 8.230 nan 0.000 0.431 896 P HA 0.078 nan 4.420 nan 0.000 0.257 896 P C 1.161 178.365 177.300 -0.160 0.000 1.281 896 P CA 0.116 63.080 63.100 -0.226 0.000 0.826 896 P CB 0.089 31.691 31.700 -0.163 0.000 1.237 897 F N 2.676 122.680 119.950 0.090 0.000 2.192 897 F HA -0.223 4.306 4.527 0.002 0.000 0.301 897 F C 2.152 177.960 175.800 0.013 0.000 1.079 897 F CA 1.485 59.558 58.000 0.121 0.000 1.303 897 F CB -1.806 37.285 39.000 0.153 0.000 1.024 897 F HN 0.129 nan 8.300 nan 0.000 0.494 898 N N 0.665 119.442 118.700 0.127 0.000 2.443 898 N HA -0.187 4.554 4.740 0.002 0.000 0.184 898 N C 1.172 176.603 175.510 -0.131 0.000 1.037 898 N CA 1.086 54.144 53.050 0.012 0.000 0.896 898 N CB -0.504 37.981 38.487 -0.003 0.000 0.959 898 N HN 0.237 nan 8.380 nan 0.000 0.442 899 K N -0.385 119.821 120.400 -0.322 0.000 2.361 899 K HA 0.088 4.409 4.320 0.002 0.000 0.196 899 K C -0.329 175.775 176.600 -0.827 0.000 1.039 899 K CA 0.263 56.151 56.287 -0.664 0.000 1.001 899 K CB 0.170 32.056 32.500 -1.022 0.000 0.795 899 K HN 0.255 nan 8.250 nan 0.000 0.495 900 F N 0.993 120.917 119.950 -0.044 0.000 2.710 900 F HA 0.267 4.795 4.527 0.002 0.000 0.345 900 F C -1.933 173.902 175.800 0.058 0.000 1.362 900 F CA -2.371 55.630 58.000 0.001 0.000 1.175 900 F CB 1.332 40.305 39.000 -0.045 0.000 1.561 900 F HN -0.172 nan 8.300 nan 0.000 0.593 901 P HA -0.113 nan 4.420 nan 0.000 0.223 901 P C 1.685 179.038 177.300 0.089 0.000 1.144 901 P CA 1.192 64.345 63.100 0.088 0.000 0.783 901 P CB 0.242 31.954 31.700 0.020 0.000 0.771 902 G N -0.559 108.318 108.800 0.128 0.000 2.650 902 G HA2 0.023 3.984 3.960 0.002 0.000 0.214 902 G HA3 0.023 3.984 3.960 0.002 0.000 0.214 902 G C 0.446 175.407 174.900 0.102 0.000 1.136 902 G CA 0.021 45.178 45.100 0.094 0.000 0.789 902 G HN 0.191 nan 8.290 nan 0.000 0.536 903 V N 1.179 121.192 119.914 0.165 0.000 2.607 903 V HA 0.165 4.286 4.120 0.002 0.000 0.289 903 V C -0.134 175.974 176.094 0.023 0.000 1.053 903 V CA -1.096 61.301 62.300 0.162 0.000 0.996 903 V CB 1.742 33.779 31.823 0.357 0.000 0.995 903 V HN 0.150 nan 8.190 nan 0.000 0.476 904 D N 6.546 126.922 120.400 -0.040 0.000 2.382 904 D HA 0.118 4.759 4.640 0.002 0.000 0.259 904 D C -1.995 174.073 176.300 -0.386 0.000 1.224 904 D CA -1.841 52.070 54.000 -0.148 0.000 0.894 904 D CB 1.394 42.138 40.800 -0.094 0.000 1.127 904 D HN 0.277 nan 8.370 nan 0.000 0.487 905 P HA 0.116 nan 4.420 nan 0.000 0.228 905 P C -0.483 176.401 177.300 -0.694 0.000 1.748 905 P CA -0.079 62.297 63.100 -1.207 0.000 0.909 905 P CB -0.653 30.705 31.700 -0.570 0.000 1.882 906 L N -1.771 119.198 121.223 -0.423 0.000 2.333 906 L HA 0.578 4.919 4.340 0.002 0.000 0.269 906 L C -0.645 176.272 176.870 0.079 0.000 1.010 906 L CA -1.417 53.377 54.840 -0.076 0.000 0.818 906 L CB 1.423 43.464 42.059 -0.031 0.000 1.306 906 L HN -0.235 nan 8.230 nan 0.000 0.430 907 L N 2.293 123.597 121.223 0.136 0.000 2.436 907 L HA 0.816 5.157 4.340 0.002 0.000 0.265 907 L C 0.708 177.651 176.870 0.122 0.000 1.168 907 L CA 0.145 55.086 54.840 0.170 0.000 0.815 907 L CB 0.874 43.027 42.059 0.156 0.000 1.109 907 L HN 0.967 nan 8.230 nan 0.000 0.462 908 G N 0.407 109.282 108.800 0.124 0.000 2.634 908 G HA2 0.366 4.327 3.960 0.002 0.000 0.309 908 G HA3 0.366 4.327 3.960 0.002 0.000 0.309 908 G C -2.622 172.345 174.900 0.111 0.000 1.299 908 G CA -0.350 44.802 45.100 0.086 0.000 0.798 908 G HN 0.326 nan 8.290 nan 0.000 0.490 909 P HA 0.027 nan 4.420 nan 0.000 0.230 909 P C 0.292 177.703 177.300 0.185 0.000 1.158 909 P CA 0.936 64.102 63.100 0.110 0.000 0.769 909 P CB 0.408 32.121 31.700 0.021 0.000 0.807 910 E N -0.084 120.170 120.200 0.091 0.000 2.179 910 E HA 0.348 4.699 4.350 0.002 0.000 0.275 910 E C -0.576 175.947 176.600 -0.127 0.000 0.945 910 E CA -1.025 55.368 56.400 -0.011 0.000 0.792 910 E CB 0.979 30.642 29.700 -0.061 0.000 1.125 910 E HN -0.143 nan 8.360 nan 0.000 0.397 911 M N 4.265 123.600 119.600 -0.441 0.000 2.200 911 M HA 0.177 4.658 4.480 0.002 0.000 0.355 911 M C -0.016 176.136 176.300 -0.246 0.000 1.283 911 M CA 0.310 55.341 55.300 -0.448 0.000 1.124 911 M CB 0.340 32.491 32.600 -0.748 0.000 1.625 911 M HN 0.552 nan 8.290 nan 0.000 0.463 912 R N 1.324 121.737 120.500 -0.145 0.000 2.541 912 R HA 0.166 4.507 4.340 0.002 0.000 0.332 912 R C 0.089 176.349 176.300 -0.067 0.000 0.951 912 R CA 0.044 56.076 56.100 -0.113 0.000 1.136 912 R CB 0.663 30.917 30.300 -0.076 0.000 1.449 912 R HN 0.804 nan 8.270 nan 0.000 0.531 913 S N -0.685 114.961 115.700 -0.091 0.000 2.585 913 S HA 0.073 4.544 4.470 0.002 0.000 0.273 913 S C 1.211 175.779 174.600 -0.052 0.000 1.339 913 S CA 0.219 58.367 58.200 -0.087 0.000 1.028 913 S CB 1.516 64.669 63.200 -0.078 0.000 0.906 913 S HN 0.278 nan 8.310 nan 0.000 0.528 914 T N -0.822 113.700 114.554 -0.053 0.000 3.023 914 T HA 0.521 4.872 4.350 0.002 0.000 0.249 914 T C 0.863 175.540 174.700 -0.039 0.000 1.050 914 T CA 0.280 62.360 62.100 -0.033 0.000 1.088 914 T CB -0.215 68.633 68.868 -0.035 0.000 0.946 914 T HN 1.136 nan 8.240 nan 0.000 0.480 915 G N 0.525 109.293 108.800 -0.054 0.000 2.706 915 G HA2 0.625 4.586 3.960 0.002 0.000 0.307 915 G HA3 0.625 4.586 3.960 0.002 0.000 0.307 915 G C -2.076 172.776 174.900 -0.080 0.000 1.307 915 G CA -0.679 44.386 45.100 -0.059 0.000 0.790 915 G HN 0.570 nan 8.290 nan 0.000 0.503 916 E N -2.231 117.917 120.200 -0.087 0.000 2.416 916 E HA 0.601 4.952 4.350 0.002 0.000 0.280 916 E C -1.344 175.196 176.600 -0.101 0.000 1.055 916 E CA -1.025 55.307 56.400 -0.114 0.000 0.825 916 E CB 1.977 31.584 29.700 -0.155 0.000 1.312 916 E HN 1.281 nan 8.360 nan 0.000 0.452 917 V N -1.635 118.208 119.914 -0.119 0.000 3.102 917 V HA 0.779 4.900 4.120 0.002 0.000 0.312 917 V C -0.641 175.396 176.094 -0.094 0.000 1.135 917 V CA -1.044 61.203 62.300 -0.089 0.000 1.022 917 V CB 1.914 33.685 31.823 -0.087 0.000 1.056 917 V HN 0.916 nan 8.190 nan 0.000 0.436 918 M N 2.006 121.591 119.600 -0.024 0.000 2.465 918 M HA 0.850 5.331 4.480 0.002 0.000 0.316 918 M C -0.350 175.968 176.300 0.029 0.000 1.121 918 M CA -0.273 55.062 55.300 0.058 0.000 0.934 918 M CB 2.044 34.780 32.600 0.227 0.000 1.692 918 M HN 1.178 nan 8.290 nan 0.000 0.444 919 G N 2.981 111.808 108.800 0.045 0.000 2.544 919 G HA2 0.620 4.581 3.960 0.002 0.000 0.313 919 G HA3 0.620 4.581 3.960 0.002 0.000 0.313 919 G C -1.672 173.264 174.900 0.060 0.000 1.316 919 G CA -0.481 44.616 45.100 -0.005 0.000 0.944 919 G HN 0.602 nan 8.290 nan 0.000 0.489 920 V N 1.708 121.636 119.914 0.022 0.000 2.357 920 V HA 0.852 4.973 4.120 0.002 0.000 0.284 920 V C 0.663 176.775 176.094 0.030 0.000 1.018 920 V CA -0.265 62.050 62.300 0.024 0.000 0.841 920 V CB 0.923 32.676 31.823 -0.117 0.000 0.991 920 V HN 0.998 nan 8.190 nan 0.000 0.437 921 G N 3.328 112.206 108.800 0.131 0.000 2.642 921 G HA2 0.538 4.499 3.960 0.002 0.000 0.293 921 G HA3 0.538 4.499 3.960 0.002 0.000 0.293 921 G C 0.061 175.102 174.900 0.236 0.000 1.341 921 G CA -0.808 44.367 45.100 0.124 0.000 0.916 921 G HN 0.531 nan 8.290 nan 0.000 0.474 922 R N -1.075 119.532 120.500 0.178 0.000 2.148 922 R HA 0.087 4.428 4.340 0.002 0.000 0.223 922 R C 1.162 177.646 176.300 0.307 0.000 1.088 922 R CA 1.542 57.768 56.100 0.210 0.000 0.985 922 R CB -0.047 30.330 30.300 0.130 0.000 0.880 922 R HN 0.650 nan 8.270 nan 0.000 0.451 923 T N -4.540 110.172 114.554 0.263 0.000 2.887 923 T HA 0.206 4.557 4.350 0.002 0.000 0.292 923 T C 0.458 175.144 174.700 -0.024 0.000 1.087 923 T CA -0.912 61.330 62.100 0.236 0.000 1.009 923 T CB 1.213 70.146 68.868 0.108 0.000 1.203 923 T HN 0.018 nan 8.240 nan 0.000 0.518 924 F N 1.533 121.096 119.950 -0.645 0.000 2.095 924 F HA 0.059 4.587 4.527 0.002 0.000 0.298 924 F C 2.574 178.221 175.800 -0.255 0.000 1.104 924 F CA 2.060 59.616 58.000 -0.741 0.000 1.232 924 F CB -0.771 37.754 39.000 -0.791 0.000 0.987 924 F HN 0.751 nan 8.300 nan 0.000 0.475 925 A N -0.108 122.601 122.820 -0.184 0.000 1.940 925 A HA -0.266 4.055 4.320 0.002 0.000 0.219 925 A C 2.236 179.707 177.584 -0.188 0.000 1.176 925 A CA 1.940 53.862 52.037 -0.192 0.000 0.631 925 A CB -1.055 17.935 19.000 -0.016 0.000 0.814 925 A HN 0.625 nan 8.150 nan 0.000 0.446 926 E N -0.301 119.830 120.200 -0.116 0.000 2.047 926 E HA -0.097 4.254 4.350 0.002 0.000 0.191 926 E C 2.189 178.729 176.600 -0.100 0.000 0.987 926 E CA 0.948 57.304 56.400 -0.072 0.000 0.799 926 E CB -0.245 29.450 29.700 -0.009 0.000 0.752 926 E HN 0.535 nan 8.360 nan 0.000 0.449 927 A N 0.519 123.273 122.820 -0.110 0.000 1.902 927 A HA -0.176 4.145 4.320 0.002 0.000 0.217 927 A C 1.992 179.462 177.584 -0.191 0.000 1.181 927 A CA 1.210 53.195 52.037 -0.087 0.000 0.623 927 A CB -0.861 18.151 19.000 0.021 0.000 0.818 927 A HN 0.496 nan 8.150 nan 0.000 0.443 928 F N 0.736 120.359 119.950 -0.545 0.000 2.186 928 F HA -0.011 4.517 4.527 0.002 0.000 0.299 928 F C 2.486 178.094 175.800 -0.321 0.000 1.090 928 F CA 1.080 58.760 58.000 -0.533 0.000 1.307 928 F CB -0.156 38.314 39.000 -0.883 0.000 1.019 928 F HN 0.253 nan 8.300 nan 0.000 0.489 929 A N 0.043 122.774 122.820 -0.148 0.000 1.933 929 A HA -0.199 4.122 4.320 0.002 0.000 0.218 929 A C 2.165 179.618 177.584 -0.218 0.000 1.175 929 A CA 1.823 53.766 52.037 -0.157 0.000 0.628 929 A CB -0.576 18.364 19.000 -0.100 0.000 0.814 929 A HN 0.424 nan 8.150 nan 0.000 0.444 930 K N -0.427 119.859 120.400 -0.191 0.000 2.155 930 K HA 0.107 4.428 4.320 0.002 0.000 0.203 930 K C 2.178 178.659 176.600 -0.199 0.000 1.052 930 K CA 0.892 57.081 56.287 -0.164 0.000 0.948 930 K CB -0.203 32.231 32.500 -0.110 0.000 0.728 930 K HN 0.434 nan 8.250 nan 0.000 0.448 931 A N 1.054 123.707 122.820 -0.278 0.000 1.897 931 A HA -0.207 4.114 4.320 0.002 0.000 0.215 931 A C 2.119 179.473 177.584 -0.384 0.000 1.181 931 A CA 1.304 53.151 52.037 -0.317 0.000 0.620 931 A CB -0.425 18.333 19.000 -0.403 0.000 0.821 931 A HN 0.349 nan 8.150 nan 0.000 0.443 932 Q N -0.751 118.725 119.800 -0.540 0.000 2.084 932 Q HA -0.169 4.172 4.340 0.002 0.000 0.202 932 Q C 1.971 177.822 176.000 -0.248 0.000 0.978 932 Q CA 1.739 57.267 55.803 -0.458 0.000 0.844 932 Q CB -0.253 28.165 28.738 -0.534 0.000 0.898 932 Q HN 0.506 nan 8.270 nan 0.000 0.426 933 L N 0.439 121.530 121.223 -0.220 0.000 2.056 933 L HA 0.021 4.362 4.340 0.002 0.000 0.207 933 L C 2.184 178.996 176.870 -0.097 0.000 1.078 933 L CA 2.369 57.122 54.840 -0.144 0.000 0.749 933 L CB -0.986 40.976 42.059 -0.162 0.000 0.901 933 L HN 0.304 nan 8.230 nan 0.000 0.433 934 G N -1.367 107.365 108.800 -0.113 0.000 2.448 934 G HA2 -0.281 3.680 3.960 0.002 0.000 0.219 934 G HA3 -0.281 3.680 3.960 0.002 0.000 0.219 934 G C 1.497 176.355 174.900 -0.071 0.000 1.127 934 G CA 0.913 45.967 45.100 -0.078 0.000 0.766 934 G HN 0.591 nan 8.290 nan 0.000 0.552 935 S N -0.469 115.173 115.700 -0.097 0.000 2.607 935 S HA 0.033 4.504 4.470 0.002 0.000 0.224 935 S C 1.098 175.676 174.600 -0.036 0.000 0.969 935 S CA 0.754 58.908 58.200 -0.077 0.000 0.927 935 S CB -0.499 62.638 63.200 -0.105 0.000 0.772 935 S HN 0.591 nan 8.310 nan 0.000 0.533 936 N N 0.344 119.031 118.700 -0.021 0.000 2.882 936 N HA -0.193 4.548 4.740 0.002 0.000 0.249 936 N C -0.262 175.274 175.510 0.043 0.000 1.079 936 N CA 0.592 53.651 53.050 0.015 0.000 0.800 936 N CB -1.655 36.842 38.487 0.015 0.000 1.124 936 N HN 0.565 nan 8.380 nan 0.000 0.557 937 S N 0.031 115.750 115.700 0.032 0.000 2.560 937 S HA 0.132 4.603 4.470 0.002 0.000 0.284 937 S C 1.477 176.136 174.600 0.098 0.000 1.327 937 S CA 0.844 59.105 58.200 0.103 0.000 1.055 937 S CB 0.973 64.174 63.200 0.002 0.000 0.868 937 S HN 0.316 nan 8.310 nan 0.000 0.506 938 T N 3.086 117.749 114.554 0.183 0.000 3.244 938 T HA 0.244 4.595 4.350 0.002 0.000 0.254 938 T C 0.441 175.218 174.700 0.129 0.000 1.024 938 T CA -0.494 61.696 62.100 0.148 0.000 0.920 938 T CB -0.431 68.539 68.868 0.171 0.000 1.042 938 T HN 0.586 nan 8.240 nan 0.000 0.572 939 M N 3.201 122.819 119.600 0.031 0.000 2.251 939 M HA 0.217 4.698 4.480 0.002 0.000 0.343 939 M C -0.188 176.096 176.300 -0.027 0.000 1.245 939 M CA 0.127 55.391 55.300 -0.059 0.000 1.061 939 M CB 0.237 32.604 32.600 -0.389 0.000 1.723 939 M HN 0.058 nan 8.290 nan 0.000 0.449 940 K N 4.381 124.780 120.400 -0.003 0.000 2.258 940 K HA 0.386 4.707 4.320 0.002 0.000 0.236 940 K C -0.227 176.365 176.600 -0.014 0.000 1.008 940 K CA -0.806 55.432 56.287 -0.083 0.000 0.869 940 K CB 1.180 33.478 32.500 -0.337 0.000 1.171 940 K HN 0.624 nan 8.250 nan 0.000 0.447 941 K N 0.852 121.222 120.400 -0.051 0.000 2.358 941 K HA 0.055 4.376 4.320 0.002 0.000 0.197 941 K C 0.201 176.713 176.600 -0.146 0.000 1.025 941 K CA 0.174 56.490 56.287 0.050 0.000 1.104 941 K CB 0.317 32.858 32.500 0.069 0.000 0.855 941 K HN 0.621 nan 8.250 nan 0.000 0.531 942 H N -2.268 116.518 119.070 -0.472 0.000 2.966 942 H HA 0.634 5.191 4.556 0.002 0.000 0.330 942 H C 0.123 174.937 175.328 -0.858 0.000 1.292 942 H CA -0.310 55.255 56.048 -0.806 0.000 1.127 942 H CB 1.339 30.896 29.762 -0.341 0.000 1.863 942 H HN 0.091 nan 8.280 nan 0.000 0.543 943 G N 0.230 108.713 108.800 -0.528 0.000 2.352 943 G HA2 -0.013 3.948 3.960 0.002 0.000 0.324 943 G HA3 -0.013 3.948 3.960 0.002 0.000 0.324 943 G C -1.405 173.494 174.900 -0.002 0.000 1.249 943 G CA -0.522 44.481 45.100 -0.162 0.000 1.053 943 G HN 0.806 nan 8.290 nan 0.000 0.492 944 R N 0.062 120.723 120.500 0.268 0.000 2.514 944 R HA 0.718 5.059 4.340 0.002 0.000 0.301 944 R C 0.073 176.704 176.300 0.552 0.000 0.962 944 R CA 0.032 56.380 56.100 0.412 0.000 0.882 944 R CB 1.370 31.882 30.300 0.355 0.000 1.143 944 R HN 1.414 nan 8.270 nan 0.000 0.452 945 A N 4.239 127.336 122.820 0.462 0.000 2.324 945 A HA 0.478 4.799 4.320 0.002 0.000 0.330 945 A C -1.356 176.181 177.584 -0.079 0.000 1.165 945 A CA -0.715 51.455 52.037 0.221 0.000 0.813 945 A CB 1.217 20.318 19.000 0.169 0.000 1.197 945 A HN 0.602 nan 8.150 nan 0.000 0.484 946 L N 3.073 124.055 121.223 -0.403 0.000 2.287 946 L HA 0.669 5.010 4.340 0.002 0.000 0.287 946 L C -1.585 175.077 176.870 -0.348 0.000 1.022 946 L CA -0.362 54.142 54.840 -0.559 0.000 0.814 946 L CB 1.022 42.410 42.059 -1.119 0.000 1.217 946 L HN 0.458 nan 8.230 nan 0.000 0.420 947 L N 4.643 125.735 121.223 -0.217 0.000 2.305 947 L HA 0.653 4.994 4.340 0.002 0.000 0.284 947 L C 0.104 176.902 176.870 -0.120 0.000 1.013 947 L CA -0.065 54.682 54.840 -0.155 0.000 0.819 947 L CB 1.300 43.301 42.059 -0.096 0.000 1.227 947 L HN 0.680 nan 8.230 nan 0.000 0.417 948 S N 2.804 118.437 115.700 -0.113 0.000 2.423 948 S HA 0.626 5.097 4.470 0.002 0.000 0.213 948 S C -0.793 173.772 174.600 -0.057 0.000 1.131 948 S CA -0.514 57.640 58.200 -0.076 0.000 1.155 948 S CB 0.451 63.596 63.200 -0.092 0.000 1.202 948 S HN 0.466 nan 8.310 nan 0.000 0.441 949 V N 3.127 123.021 119.914 -0.034 0.000 3.019 949 V HA 0.835 4.956 4.120 0.002 0.000 0.317 949 V C -0.159 175.932 176.094 -0.005 0.000 1.094 949 V CA -1.429 60.860 62.300 -0.017 0.000 1.000 949 V CB 1.526 33.343 31.823 -0.009 0.000 1.060 949 V HN 0.866 nan 8.190 nan 0.000 0.443 950 R N 0.659 121.158 120.500 -0.001 0.000 2.582 950 R HA 0.447 4.788 4.340 0.002 0.000 0.271 950 R C 0.999 177.305 176.300 0.010 0.000 1.078 950 R CA -0.040 56.057 56.100 -0.004 0.000 1.127 950 R CB 0.405 30.697 30.300 -0.013 0.000 1.038 950 R HN 0.793 nan 8.270 nan 0.000 0.500 951 E N 2.111 122.313 120.200 0.003 0.000 2.113 951 E HA -0.214 4.137 4.350 0.002 0.000 0.210 951 E C 1.848 178.464 176.600 0.027 0.000 1.040 951 E CA 2.578 58.986 56.400 0.013 0.000 0.847 951 E CB -0.831 28.870 29.700 0.002 0.000 0.755 951 E HN 0.902 nan 8.360 nan 0.000 0.459 952 G N -0.765 108.055 108.800 0.032 0.000 2.559 952 G HA2 -0.191 3.770 3.960 0.002 0.000 0.216 952 G HA3 -0.191 3.770 3.960 0.002 0.000 0.216 952 G C 0.968 175.902 174.900 0.057 0.000 1.126 952 G CA 0.916 46.046 45.100 0.050 0.000 0.778 952 G HN 0.219 nan 8.290 nan 0.000 0.543 953 D N -0.253 120.179 120.400 0.054 0.000 2.423 953 D HA 0.093 4.734 4.640 0.002 0.000 0.208 953 D C 2.201 178.538 176.300 0.062 0.000 1.068 953 D CA 0.081 54.121 54.000 0.068 0.000 0.860 953 D CB 0.113 40.952 40.800 0.064 0.000 0.992 953 D HN 0.176 nan 8.370 nan 0.000 0.504 954 K N 0.889 121.316 120.400 0.045 0.000 2.173 954 K HA -0.197 4.124 4.320 0.002 0.000 0.207 954 K C 1.841 178.469 176.600 0.047 0.000 1.046 954 K CA 1.044 57.354 56.287 0.039 0.000 0.929 954 K CB 0.189 32.709 32.500 0.032 0.000 0.720 954 K HN 0.158 nan 8.250 nan 0.000 0.453 955 E N 0.731 120.963 120.200 0.053 0.000 2.051 955 E HA -0.131 4.220 4.350 0.002 0.000 0.189 955 E C 1.841 178.487 176.600 0.077 0.000 0.979 955 E CA 0.935 57.368 56.400 0.054 0.000 0.803 955 E CB 0.189 29.915 29.700 0.043 0.000 0.761 955 E HN 0.210 nan 8.360 nan 0.000 0.451 956 R N 0.137 120.702 120.500 0.109 0.000 2.236 956 R HA 0.004 4.345 4.340 0.002 0.000 0.208 956 R C 2.300 178.747 176.300 0.245 0.000 1.036 956 R CA 0.199 56.412 56.100 0.189 0.000 1.001 956 R CB 0.064 30.504 30.300 0.234 0.000 0.896 956 R HN 0.064 nan 8.270 nan 0.000 0.464 957 V N 0.405 120.397 119.914 0.130 0.000 2.407 957 V HA -0.227 3.894 4.120 0.002 0.000 0.248 957 V C 2.023 178.145 176.094 0.046 0.000 1.055 957 V CA 1.656 63.989 62.300 0.056 0.000 1.049 957 V CB -0.051 31.785 31.823 0.022 0.000 0.662 957 V HN 0.103 nan 8.190 nan 0.000 0.455 958 V N 0.541 120.494 119.914 0.066 0.000 2.250 958 V HA -0.328 3.793 4.120 0.002 0.000 0.250 958 V C 2.413 178.550 176.094 0.073 0.000 1.060 958 V CA 2.746 65.080 62.300 0.056 0.000 1.030 958 V CB -0.855 31.000 31.823 0.053 0.000 0.643 958 V HN 0.717 nan 8.190 nan 0.000 0.445 959 D N -0.611 119.869 120.400 0.133 0.000 2.144 959 D HA -0.148 4.493 4.640 0.002 0.000 0.199 959 D C 1.881 178.279 176.300 0.164 0.000 0.984 959 D CA 1.043 55.153 54.000 0.183 0.000 0.834 959 D CB -0.139 40.820 40.800 0.265 0.000 0.955 959 D HN 0.326 nan 8.370 nan 0.000 0.465 960 L N 0.247 121.498 121.223 0.047 0.000 2.093 960 L HA 0.116 4.457 4.340 0.002 0.000 0.208 960 L C 2.116 178.910 176.870 -0.127 0.000 1.085 960 L CA 1.853 56.536 54.840 -0.261 0.000 0.755 960 L CB -0.923 40.740 42.059 -0.660 0.000 0.904 960 L HN 0.032 nan 8.230 nan 0.000 0.435 961 A N -0.324 122.462 122.820 -0.056 0.000 1.902 961 A HA -0.104 4.217 4.320 0.002 0.000 0.217 961 A C 2.468 180.055 177.584 0.005 0.000 1.181 961 A CA 1.752 53.774 52.037 -0.025 0.000 0.623 961 A CB -1.147 17.851 19.000 -0.004 0.000 0.818 961 A HN 0.562 nan 8.150 nan 0.000 0.443 962 A N -0.197 122.638 122.820 0.026 0.000 1.908 962 A HA -0.189 4.132 4.320 0.002 0.000 0.218 962 A C 2.109 179.717 177.584 0.040 0.000 1.181 962 A CA 1.968 54.029 52.037 0.041 0.000 0.627 962 A CB -0.457 18.574 19.000 0.052 0.000 0.818 962 A HN 0.545 nan 8.150 nan 0.000 0.445 963 K N -0.411 120.007 120.400 0.031 0.000 2.032 963 K HA -0.074 4.247 4.320 0.002 0.000 0.209 963 K C 1.866 178.469 176.600 0.004 0.000 1.048 963 K CA 1.563 57.863 56.287 0.022 0.000 0.927 963 K CB -0.404 32.102 32.500 0.010 0.000 0.712 963 K HN 0.484 nan 8.250 nan 0.000 0.441 964 L N 0.801 121.999 121.223 -0.042 0.000 2.046 964 L HA -0.207 4.134 4.340 0.002 0.000 0.208 964 L C 2.329 179.283 176.870 0.139 0.000 1.077 964 L CA 1.019 55.831 54.840 -0.047 0.000 0.747 964 L CB -0.494 41.467 42.059 -0.165 0.000 0.896 964 L HN 0.194 nan 8.230 nan 0.000 0.432 965 L N -0.104 121.179 121.223 0.100 0.000 1.970 965 L HA -0.272 4.069 4.340 0.002 0.000 0.212 965 L C 2.662 179.596 176.870 0.108 0.000 1.071 965 L CA 1.534 56.442 54.840 0.113 0.000 0.751 965 L CB -0.525 41.579 42.059 0.075 0.000 0.889 965 L HN 0.218 nan 8.230 nan 0.000 0.432 966 K N -0.584 119.865 120.400 0.082 0.000 2.360 966 K HA -0.210 4.111 4.320 0.002 0.000 0.201 966 K C 2.054 178.707 176.600 0.089 0.000 1.046 966 K CA 0.936 57.267 56.287 0.072 0.000 0.940 966 K CB 0.116 32.650 32.500 0.057 0.000 0.748 966 K HN 0.263 nan 8.250 nan 0.000 0.465 967 Q N -1.042 118.840 119.800 0.136 0.000 2.398 967 Q HA 0.006 4.347 4.340 0.002 0.000 0.204 967 Q C 0.964 177.060 176.000 0.160 0.000 0.932 967 Q CA 1.058 56.966 55.803 0.175 0.000 0.916 967 Q CB 1.083 29.977 28.738 0.261 0.000 1.024 967 Q HN 0.557 nan 8.270 nan 0.000 0.504 968 G N -0.238 108.653 108.800 0.152 0.000 2.184 968 G HA2 -0.217 3.744 3.960 0.002 0.000 0.206 968 G HA3 -0.217 3.744 3.960 0.002 0.000 0.206 968 G C -0.085 174.825 174.900 0.016 0.000 0.995 968 G CA -0.351 44.782 45.100 0.054 0.000 0.651 968 G HN 0.228 nan 8.290 nan 0.000 0.511 969 F N 1.348 121.326 119.950 0.047 0.000 2.450 969 F HA 0.582 5.109 4.527 0.001 0.000 0.339 969 F C 1.142 176.981 175.800 0.066 0.000 1.146 969 F CA 0.157 58.195 58.000 0.063 0.000 1.267 969 F CB 0.709 39.742 39.000 0.055 0.000 1.178 969 F HN 0.104 nan 8.300 nan 0.000 0.585 970 E N 1.228 121.583 120.200 0.258 0.000 2.239 970 E HA 0.685 5.036 4.350 0.002 0.000 0.261 970 E C -1.256 175.479 176.600 0.224 0.000 1.016 970 E CA -0.688 55.823 56.400 0.186 0.000 0.882 970 E CB 1.478 31.255 29.700 0.129 0.000 1.190 970 E HN 0.365 nan 8.360 nan 0.000 0.415 971 L N 0.924 122.241 121.223 0.156 0.000 2.409 971 L HA 0.559 4.900 4.340 0.002 0.000 0.262 971 L C -1.038 175.897 176.870 0.108 0.000 0.992 971 L CA -0.998 53.919 54.840 0.129 0.000 0.817 971 L CB 2.015 44.121 42.059 0.077 0.000 1.350 971 L HN 0.404 nan 8.230 nan 0.000 0.411 972 D N 0.623 121.072 120.400 0.082 0.000 2.419 972 D HA 0.889 5.530 4.640 0.002 0.000 0.234 972 D C -0.998 175.292 176.300 -0.017 0.000 1.014 972 D CA -0.157 53.886 54.000 0.071 0.000 0.919 972 D CB 2.451 43.348 40.800 0.162 0.000 1.366 972 D HN 0.759 nan 8.370 nan 0.000 0.490 973 A N -0.052 122.761 122.820 -0.012 0.000 2.608 973 A HA 0.663 4.984 4.320 0.002 0.000 0.292 973 A C -0.440 177.133 177.584 -0.018 0.000 1.066 973 A CA -0.781 51.234 52.037 -0.036 0.000 0.676 973 A CB 0.921 19.903 19.000 -0.030 0.000 1.277 973 A HN 0.472 nan 8.150 nan 0.000 0.413 974 T N -1.625 112.919 114.554 -0.016 0.000 2.881 974 T HA 0.462 4.813 4.350 0.002 0.000 0.278 974 T C 1.144 175.871 174.700 0.046 0.000 0.982 974 T CA 0.658 62.768 62.100 0.017 0.000 0.989 974 T CB 0.585 69.463 68.868 0.017 0.000 1.058 974 T HN 0.873 nan 8.240 nan 0.000 0.529 975 H N 1.349 120.415 119.070 -0.006 0.000 2.522 975 H HA -0.231 4.325 4.556 0.001 0.000 0.289 975 H C 2.417 177.748 175.328 0.004 0.000 1.070 975 H CA 2.843 58.893 56.048 0.003 0.000 1.128 975 H CB -0.955 28.814 29.762 0.011 0.000 1.440 975 H HN 0.826 nan 8.280 nan 0.000 0.651 976 G N -1.772 107.225 108.800 0.329 0.000 2.469 976 G HA2 -0.315 3.646 3.960 0.002 0.000 0.219 976 G HA3 -0.315 3.646 3.960 0.002 0.000 0.219 976 G C 1.738 176.691 174.900 0.088 0.000 1.150 976 G CA 1.461 46.688 45.100 0.212 0.000 0.763 976 G HN 0.520 nan 8.290 nan 0.000 0.561 977 T N 1.586 116.171 114.554 0.052 0.000 2.708 977 T HA 0.011 4.362 4.350 0.002 0.000 0.266 977 T C 2.830 177.529 174.700 -0.001 0.000 1.037 977 T CA 1.575 63.685 62.100 0.017 0.000 1.146 977 T CB -0.414 68.453 68.868 -0.002 0.000 0.865 977 T HN 0.394 nan 8.240 nan 0.000 0.435 978 A N 1.622 124.428 122.820 -0.024 0.000 1.908 978 A HA -0.067 4.254 4.320 0.002 0.000 0.218 978 A C 2.260 179.809 177.584 -0.058 0.000 1.181 978 A CA 1.111 53.115 52.037 -0.055 0.000 0.627 978 A CB -0.721 18.219 19.000 -0.100 0.000 0.818 978 A HN 0.399 nan 8.150 nan 0.000 0.445 979 I N -0.067 120.465 120.570 -0.064 0.000 2.163 979 I HA -0.209 3.962 4.170 0.002 0.000 0.243 979 I C 2.485 178.601 176.117 -0.001 0.000 1.085 979 I CA 1.414 62.694 61.300 -0.033 0.000 1.347 979 I CB -1.155 36.863 38.000 0.031 0.000 1.044 979 I HN 0.163 nan 8.210 nan 0.000 0.408 980 V N 0.788 120.710 119.914 0.012 0.000 2.427 980 V HA -0.228 3.893 4.120 0.002 0.000 0.248 980 V C 2.533 178.634 176.094 0.012 0.000 1.051 980 V CA 1.251 63.562 62.300 0.018 0.000 1.048 980 V CB -0.419 31.419 31.823 0.024 0.000 0.666 980 V HN 0.310 nan 8.190 nan 0.000 0.456 981 L N 0.270 121.496 121.223 0.005 0.000 2.027 981 L HA -0.039 4.302 4.340 0.002 0.000 0.206 981 L C 2.713 179.586 176.870 0.005 0.000 1.074 981 L CA 1.772 56.616 54.840 0.006 0.000 0.745 981 L CB -1.218 40.842 42.059 0.001 0.000 0.898 981 L HN 0.439 nan 8.230 nan 0.000 0.433 982 G N -0.344 108.453 108.800 -0.005 0.000 2.476 982 G HA2 -0.282 3.679 3.960 0.002 0.000 0.218 982 G HA3 -0.282 3.679 3.960 0.002 0.000 0.218 982 G C 1.382 176.284 174.900 0.003 0.000 1.164 982 G CA 0.791 45.888 45.100 -0.005 0.000 0.768 982 G HN 0.432 nan 8.290 nan 0.000 0.560 983 E N 0.461 120.664 120.200 0.005 0.000 2.265 983 E HA -0.025 4.326 4.350 0.002 0.000 0.196 983 E C 2.464 179.072 176.600 0.013 0.000 0.996 983 E CA 0.707 57.113 56.400 0.010 0.000 0.832 983 E CB -0.084 29.625 29.700 0.014 0.000 0.756 983 E HN 0.474 nan 8.360 nan 0.000 0.491 984 A N -0.131 122.697 122.820 0.014 0.000 2.348 984 A HA 0.389 4.710 4.320 0.002 0.000 0.224 984 A C 1.507 179.102 177.584 0.017 0.000 1.227 984 A CA 0.624 52.672 52.037 0.018 0.000 0.885 984 A CB 0.334 19.348 19.000 0.022 0.000 0.933 984 A HN 0.277 nan 8.150 nan 0.000 0.506 985 G N -0.799 108.010 108.800 0.014 0.000 2.163 985 G HA2 -0.162 3.799 3.960 0.002 0.000 0.213 985 G HA3 -0.162 3.799 3.960 0.002 0.000 0.213 985 G C -0.026 174.883 174.900 0.015 0.000 0.991 985 G CA 0.085 45.194 45.100 0.014 0.000 0.653 985 G HN 0.414 nan 8.290 nan 0.000 0.518 986 I N 1.249 121.828 120.570 0.014 0.000 2.362 986 I HA 0.298 4.469 4.170 0.002 0.000 0.289 986 I C -0.313 175.810 176.117 0.010 0.000 0.994 986 I CA -0.599 60.710 61.300 0.016 0.000 1.158 986 I CB 1.471 39.483 38.000 0.020 0.000 1.315 986 I HN 0.079 nan 8.210 nan 0.000 0.451 987 N N 8.264 126.971 118.700 0.012 0.000 2.621 987 N HA 0.342 5.083 4.740 0.002 0.000 0.237 987 N C -2.441 173.076 175.510 0.013 0.000 0.997 987 N CA -1.267 51.786 53.050 0.006 0.000 0.918 987 N CB 1.221 39.711 38.487 0.005 0.000 1.122 987 N HN 0.393 nan 8.380 nan 0.000 0.510 988 P HA 0.146 nan 4.420 nan 0.000 0.278 988 P C -0.672 176.639 177.300 0.018 0.000 1.266 988 P CA -0.560 62.553 63.100 0.021 0.000 0.807 988 P CB 1.207 32.914 31.700 0.011 0.000 1.094 989 R N 1.278 121.800 120.500 0.037 0.000 2.267 989 R HA 0.255 4.596 4.340 0.002 0.000 0.319 989 R C -0.175 176.144 176.300 0.031 0.000 1.067 989 R CA -0.663 55.459 56.100 0.035 0.000 0.936 989 R CB -0.147 30.187 30.300 0.055 0.000 1.006 989 R HN 0.370 nan 8.270 nan 0.000 0.452 990 L N 5.176 126.404 121.223 0.009 0.000 2.490 990 L HA 0.155 4.496 4.340 0.002 0.000 0.274 990 L C -0.809 176.077 176.870 0.026 0.000 1.201 990 L CA 0.552 55.392 54.840 -0.000 0.000 0.869 990 L CB 1.306 43.347 42.059 -0.029 0.000 1.123 990 L HN 0.491 nan 8.230 nan 0.000 0.484 991 V N 6.206 126.140 119.914 0.034 0.000 2.656 991 V HA 0.450 4.571 4.120 0.002 0.000 0.307 991 V C -0.113 176.004 176.094 0.038 0.000 1.051 991 V CA -0.739 61.595 62.300 0.057 0.000 0.893 991 V CB 2.025 33.914 31.823 0.110 0.000 0.999 991 V HN 0.970 nan 8.190 nan 0.000 0.426 992 N N 4.032 122.756 118.700 0.041 0.000 2.530 992 N HA 0.301 5.042 4.740 0.002 0.000 0.273 992 N C -0.628 174.877 175.510 -0.008 0.000 1.173 992 N CA -0.368 52.692 53.050 0.017 0.000 0.967 992 N CB 0.855 39.355 38.487 0.022 0.000 1.109 992 N HN 0.593 nan 8.380 nan 0.000 0.453 993 K N 0.879 121.192 120.400 -0.145 0.000 2.202 993 K HA 0.094 4.415 4.320 0.002 0.000 0.264 993 K C 1.061 177.479 176.600 -0.303 0.000 1.010 993 K CA -0.545 55.574 56.287 -0.282 0.000 0.940 993 K CB 0.936 33.129 32.500 -0.513 0.000 0.983 993 K HN 0.263 nan 8.250 nan 0.000 0.475 994 V N 1.688 121.451 119.914 -0.251 0.000 2.363 994 V HA -0.315 3.806 4.120 0.002 0.000 0.254 994 V C 1.867 177.927 176.094 -0.056 0.000 1.074 994 V CA 2.315 64.470 62.300 -0.241 0.000 1.069 994 V CB -1.358 30.270 31.823 -0.325 0.000 0.659 994 V HN 0.866 nan 8.190 nan 0.000 0.455 995 H N -0.781 118.293 119.070 0.006 0.000 2.544 995 H HA 0.143 4.700 4.556 0.001 0.000 0.269 995 H C 1.918 177.270 175.328 0.040 0.000 0.970 995 H CA 0.880 56.940 56.048 0.020 0.000 1.219 995 H CB -0.393 29.367 29.762 -0.003 0.000 1.421 995 H HN 0.433 nan 8.280 nan 0.000 0.555 996 E N 0.576 120.600 120.200 -0.294 0.000 2.150 996 E HA 0.151 4.502 4.350 0.002 0.000 0.193 996 E C 0.994 177.596 176.600 0.003 0.000 0.985 996 E CA 0.784 57.123 56.400 -0.101 0.000 0.814 996 E CB 0.156 29.749 29.700 -0.179 0.000 0.752 996 E HN 0.670 nan 8.360 nan 0.000 0.466 997 G N -0.097 108.720 108.800 0.029 0.000 2.384 997 G HA2 0.077 4.038 3.960 0.002 0.000 0.150 997 G HA3 0.077 4.038 3.960 0.002 0.000 0.150 997 G C -1.227 173.679 174.900 0.010 0.000 1.269 997 G CA -0.842 44.281 45.100 0.039 0.000 1.094 997 G HN 0.037 nan 8.290 nan 0.000 0.467 998 R N 0.124 120.592 120.500 -0.053 0.000 2.680 998 R HA 0.582 4.923 4.340 0.002 0.000 0.269 998 R C -2.727 173.509 176.300 -0.106 0.000 1.026 998 R CA -1.216 54.794 56.100 -0.149 0.000 0.889 998 R CB 2.159 32.340 30.300 -0.199 0.000 1.241 998 R HN 0.477 nan 8.270 nan 0.000 0.463 999 P HA 0.238 nan 4.420 nan 0.000 0.278 999 P C -1.097 176.109 177.300 -0.157 0.000 1.258 999 P CA -0.492 62.456 63.100 -0.253 0.000 0.811 999 P CB 0.551 32.111 31.700 -0.233 0.000 1.063 1000 H N -0.926 118.131 119.070 -0.022 0.000 2.693 1000 H HA 0.319 4.876 4.556 0.002 0.000 0.348 1000 H C 1.253 176.586 175.328 0.008 0.000 1.222 1000 H CA -0.890 55.146 56.048 -0.019 0.000 1.270 1000 H CB 1.103 30.840 29.762 -0.041 0.000 1.798 1000 H HN 0.302 nan 8.280 nan 0.000 0.592 1001 I N -1.541 119.182 120.570 0.255 0.000 2.143 1001 I HA -0.363 3.808 4.170 0.002 0.000 0.245 1001 I C 2.446 178.690 176.117 0.211 0.000 1.068 1001 I CA 1.714 63.145 61.300 0.218 0.000 1.326 1001 I CB -0.608 37.453 38.000 0.101 0.000 1.028 1001 I HN 0.563 nan 8.210 nan 0.000 0.412 1002 Q N 1.043 120.940 119.800 0.161 0.000 2.077 1002 Q HA -0.294 4.047 4.340 0.002 0.000 0.206 1002 Q C 1.988 178.071 176.000 0.139 0.000 0.989 1002 Q CA 2.571 58.437 55.803 0.105 0.000 0.853 1002 Q CB -0.464 28.233 28.738 -0.068 0.000 0.907 1002 Q HN 0.664 nan 8.270 nan 0.000 0.418 1003 D N -0.333 120.241 120.400 0.289 0.000 2.097 1003 D HA -0.138 4.503 4.640 0.002 0.000 0.195 1003 D C 2.072 178.329 176.300 -0.071 0.000 0.989 1003 D CA 0.834 54.858 54.000 0.040 0.000 0.827 1003 D CB -0.018 40.708 40.800 -0.124 0.000 0.966 1003 D HN 0.227 nan 8.370 nan 0.000 0.456 1004 R N 0.372 120.849 120.500 -0.039 0.000 2.073 1004 R HA -0.071 4.270 4.340 0.002 0.000 0.234 1004 R C 2.614 178.755 176.300 -0.265 0.000 1.134 1004 R CA 0.609 56.597 56.100 -0.187 0.000 0.952 1004 R CB -0.676 29.534 30.300 -0.151 0.000 0.850 1004 R HN 0.319 nan 8.270 nan 0.000 0.433 1005 I N 1.111 121.650 120.570 -0.051 0.000 2.179 1005 I HA -0.276 3.895 4.170 0.002 0.000 0.242 1005 I C 2.746 178.687 176.117 -0.294 0.000 1.088 1005 I CA 1.280 62.568 61.300 -0.020 0.000 1.357 1005 I CB -0.362 37.706 38.000 0.114 0.000 1.051 1005 I HN 0.156 nan 8.210 nan 0.000 0.409 1006 K N 1.575 121.709 120.400 -0.443 0.000 2.152 1006 K HA -0.188 4.133 4.320 0.002 0.000 0.206 1006 K C 1.027 177.287 176.600 -0.567 0.000 1.048 1006 K CA 1.923 57.658 56.287 -0.921 0.000 0.933 1006 K CB -0.212 31.953 32.500 -0.558 0.000 0.721 1006 K HN 0.407 nan 8.250 nan 0.000 0.447 1007 N N -0.215 118.293 118.700 -0.321 0.000 2.362 1007 N HA 0.102 4.843 4.740 0.002 0.000 0.211 1007 N C 0.177 175.574 175.510 -0.188 0.000 1.170 1007 N CA 0.394 53.312 53.050 -0.221 0.000 0.828 1007 N CB 0.846 39.232 38.487 -0.168 0.000 1.034 1007 N HN 0.394 nan 8.380 nan 0.000 0.475 1008 G N 1.024 109.708 108.800 -0.193 0.000 2.203 1008 G HA2 -0.327 3.634 3.960 0.002 0.000 0.263 1008 G HA3 -0.327 3.634 3.960 0.002 0.000 0.263 1008 G C 0.778 175.592 174.900 -0.143 0.000 1.012 1008 G CA 0.231 45.266 45.100 -0.108 0.000 0.749 1008 G HN 0.457 nan 8.290 nan 0.000 0.512 1009 E N -1.412 118.603 120.200 -0.309 0.000 2.347 1009 E HA 0.024 4.375 4.350 0.002 0.000 0.196 1009 E C 0.173 176.564 176.600 -0.348 0.000 1.008 1009 E CA 0.750 56.903 56.400 -0.412 0.000 0.852 1009 E CB 0.184 29.451 29.700 -0.722 0.000 0.783 1009 E HN 0.686 nan 8.360 nan 0.000 0.505 1010 Y N -0.127 120.209 120.300 0.059 0.000 2.468 1010 Y HA 0.161 4.712 4.550 0.001 0.000 0.342 1010 Y C 1.374 177.357 175.900 0.138 0.000 1.021 1010 Y CA -0.927 57.234 58.100 0.103 0.000 1.079 1010 Y CB 1.654 40.163 38.460 0.083 0.000 1.226 1010 Y HN -0.183 nan 8.280 nan 0.000 0.460 1011 T N -2.515 112.276 114.554 0.394 0.000 3.044 1011 T HA 0.260 4.611 4.350 0.002 0.000 0.260 1011 T C -0.756 174.219 174.700 0.458 0.000 1.019 1011 T CA -0.030 62.264 62.100 0.323 0.000 0.921 1011 T CB -0.204 68.756 68.868 0.154 0.000 1.053 1011 T HN 0.485 nan 8.240 nan 0.000 0.533 1012 Y N 0.152 120.611 120.300 0.264 0.000 2.474 1012 Y HA 0.615 5.166 4.550 0.002 0.000 0.326 1012 Y C -2.425 173.510 175.900 0.059 0.000 1.160 1012 Y CA -2.504 55.700 58.100 0.173 0.000 1.056 1012 Y CB 1.199 39.698 38.460 0.065 0.000 1.330 1012 Y HN 0.159 nan 8.280 nan 0.000 0.447 1013 I N 6.803 126.911 120.570 -0.770 0.000 2.582 1013 I HA 0.491 4.662 4.170 0.002 0.000 0.292 1013 I C -1.401 174.196 176.117 -0.866 0.000 1.066 1013 I CA -1.023 59.847 61.300 -0.716 0.000 1.053 1013 I CB 2.219 40.032 38.000 -0.311 0.000 1.241 1013 I HN 0.549 nan 8.210 nan 0.000 0.421 1014 I N 6.886 127.086 120.570 -0.617 0.000 2.448 1014 I HA 0.396 4.567 4.170 0.002 0.000 0.281 1014 I C -1.114 174.886 176.117 -0.195 0.000 1.027 1014 I CA 0.023 61.110 61.300 -0.355 0.000 1.111 1014 I CB 0.902 38.745 38.000 -0.262 0.000 1.236 1014 I HN 0.606 nan 8.210 nan 0.000 0.452 1015 N N 5.440 124.074 118.700 -0.110 0.000 2.519 1015 N HA 0.403 5.144 4.740 0.002 0.000 0.286 1015 N C -1.365 174.129 175.510 -0.027 0.000 1.079 1015 N CA -0.276 52.726 53.050 -0.080 0.000 0.878 1015 N CB 1.423 39.850 38.487 -0.099 0.000 1.375 1015 N HN 0.626 nan 8.380 nan 0.000 0.514 1016 T N 0.475 115.017 114.554 -0.020 0.000 2.856 1016 T HA 0.625 4.976 4.350 0.002 0.000 0.283 1016 T C -0.277 174.419 174.700 -0.006 0.000 1.008 1016 T CA -0.267 61.837 62.100 0.006 0.000 0.997 1016 T CB 1.949 70.835 68.868 0.029 0.000 0.992 1016 T HN 0.278 nan 8.240 nan 0.000 0.454 1017 T N 1.463 116.014 114.554 -0.005 0.000 2.865 1017 T HA 0.749 5.100 4.350 0.002 0.000 0.294 1017 T C -1.040 173.634 174.700 -0.043 0.000 1.119 1017 T CA -0.811 61.270 62.100 -0.031 0.000 1.007 1017 T CB 1.948 70.793 68.868 -0.038 0.000 1.225 1017 T HN 0.745 nan 8.240 nan 0.000 0.515 1018 S N 0.052 115.687 115.700 -0.108 0.000 2.603 1018 S HA 0.686 5.157 4.470 0.002 0.000 0.274 1018 S C -0.529 173.863 174.600 -0.345 0.000 1.168 1018 S CA 0.301 58.367 58.200 -0.224 0.000 0.963 1018 S CB 0.836 63.877 63.200 -0.265 0.000 1.078 1018 S HN 1.521 nan 8.310 nan 0.000 0.477 1019 G N 3.456 112.038 108.800 -0.363 0.000 3.225 1019 G HA2 -0.080 3.881 3.960 0.002 0.000 0.686 1019 G HA3 -0.080 3.881 3.960 0.002 0.000 0.686 1019 G C 0.075 174.913 174.900 -0.103 0.000 1.105 1019 G CA -0.116 44.817 45.100 -0.279 0.000 0.831 1019 G HN 0.716 nan 8.290 nan 0.000 0.578 1020 R N 0.886 121.368 120.500 -0.029 0.000 2.191 1020 R HA -0.183 4.158 4.340 0.002 0.000 0.248 1020 R C 2.756 179.041 176.300 -0.025 0.000 1.127 1020 R CA 2.716 58.813 56.100 -0.006 0.000 0.943 1020 R CB -0.324 29.992 30.300 0.028 0.000 0.891 1020 R HN 0.619 nan 8.270 nan 0.000 0.439 1021 R N -0.601 119.878 120.500 -0.035 0.000 2.070 1021 R HA -0.051 4.290 4.340 0.002 0.000 0.233 1021 R C 2.048 178.317 176.300 -0.051 0.000 1.137 1021 R CA 1.697 57.773 56.100 -0.040 0.000 0.945 1021 R CB -0.653 29.622 30.300 -0.041 0.000 0.845 1021 R HN 0.369 nan 8.270 nan 0.000 0.430 1022 A N 1.063 123.842 122.820 -0.068 0.000 1.908 1022 A HA -0.162 4.159 4.320 0.002 0.000 0.218 1022 A C 2.312 179.863 177.584 -0.056 0.000 1.181 1022 A CA 1.369 53.366 52.037 -0.067 0.000 0.627 1022 A CB -0.535 18.412 19.000 -0.089 0.000 0.818 1022 A HN 0.303 nan 8.150 nan 0.000 0.445 1023 I N -0.347 120.190 120.570 -0.056 0.000 2.127 1023 I HA -0.296 3.875 4.170 0.002 0.000 0.241 1023 I C 2.505 178.597 176.117 -0.041 0.000 1.075 1023 I CA 1.888 63.161 61.300 -0.045 0.000 1.334 1023 I CB -0.553 37.426 38.000 -0.035 0.000 1.040 1023 I HN 0.448 nan 8.210 nan 0.000 0.405 1024 E N 0.603 120.782 120.200 -0.035 0.000 2.171 1024 E HA -0.262 4.089 4.350 0.002 0.000 0.197 1024 E C 1.631 178.210 176.600 -0.034 0.000 0.997 1024 E CA 1.463 57.844 56.400 -0.032 0.000 0.810 1024 E CB -0.172 29.513 29.700 -0.025 0.000 0.738 1024 E HN 0.498 nan 8.360 nan 0.000 0.467 1025 D N 0.158 120.537 120.400 -0.035 0.000 2.123 1025 D HA -0.074 4.567 4.640 0.002 0.000 0.200 1025 D C 1.909 178.194 176.300 -0.025 0.000 0.976 1025 D CA 1.350 55.333 54.000 -0.028 0.000 0.831 1025 D CB -0.141 40.642 40.800 -0.029 0.000 0.974 1025 D HN 0.121 nan 8.370 nan 0.000 0.469 1026 S N -0.050 115.628 115.700 -0.037 0.000 2.593 1026 S HA 0.054 4.525 4.470 0.002 0.000 0.217 1026 S C 1.653 176.210 174.600 -0.071 0.000 0.966 1026 S CA -0.272 57.898 58.200 -0.049 0.000 0.914 1026 S CB 0.274 63.443 63.200 -0.051 0.000 0.776 1026 S HN 0.131 nan 8.310 nan 0.000 0.523 1027 R N 1.372 121.833 120.500 -0.065 0.000 2.117 1027 R HA -0.103 4.238 4.340 0.002 0.000 0.243 1027 R C 2.109 178.353 176.300 -0.093 0.000 1.143 1027 R CA 1.620 57.673 56.100 -0.079 0.000 0.968 1027 R CB -0.624 29.640 30.300 -0.060 0.000 0.863 1027 R HN 0.389 nan 8.270 nan 0.000 0.444 1028 V N 0.657 120.523 119.914 -0.080 0.000 2.594 1028 V HA -0.178 3.943 4.120 0.002 0.000 0.253 1028 V C 1.875 177.910 176.094 -0.098 0.000 1.069 1028 V CA 1.628 63.880 62.300 -0.080 0.000 1.082 1028 V CB -0.188 31.586 31.823 -0.081 0.000 0.680 1028 V HN 0.306 nan 8.190 nan 0.000 0.469 1029 I N 0.217 120.717 120.570 -0.117 0.000 2.142 1029 I HA -0.197 3.974 4.170 0.002 0.000 0.240 1029 I C 2.740 178.713 176.117 -0.240 0.000 1.078 1029 I CA 2.037 63.251 61.300 -0.144 0.000 1.343 1029 I CB -0.546 37.365 38.000 -0.148 0.000 1.046 1029 I HN 0.209 nan 8.210 nan 0.000 0.405 1030 R N 0.261 120.578 120.500 -0.305 0.000 2.083 1030 R HA -0.127 4.214 4.340 0.002 0.000 0.237 1030 R C 2.456 178.498 176.300 -0.430 0.000 1.137 1030 R CA 1.335 57.125 56.100 -0.517 0.000 0.951 1030 R CB -0.449 29.633 30.300 -0.364 0.000 0.851 1030 R HN 0.341 nan 8.270 nan 0.000 0.434 1031 R N 0.186 120.544 120.500 -0.237 0.000 2.091 1031 R HA -0.071 4.270 4.340 0.002 0.000 0.238 1031 R C 2.402 178.630 176.300 -0.120 0.000 1.136 1031 R CA 1.762 57.769 56.100 -0.155 0.000 0.959 1031 R CB -0.258 29.985 30.300 -0.096 0.000 0.856 1031 R HN 0.174 nan 8.270 nan 0.000 0.437 1032 S N 0.890 116.548 115.700 -0.069 0.000 2.371 1032 S HA -0.060 4.411 4.470 0.002 0.000 0.224 1032 S C 2.154 176.813 174.600 0.100 0.000 1.029 1032 S CA 0.953 59.208 58.200 0.092 0.000 0.978 1032 S CB -0.155 63.153 63.200 0.180 0.000 0.833 1032 S HN 0.448 nan 8.310 nan 0.000 0.466 1033 A N 1.734 124.505 122.820 -0.081 0.000 1.892 1033 A HA -0.133 4.188 4.320 0.002 0.000 0.218 1033 A C 2.157 179.731 177.584 -0.016 0.000 1.188 1033 A CA 1.700 53.677 52.037 -0.101 0.000 0.631 1033 A CB -0.827 17.901 19.000 -0.453 0.000 0.822 1033 A HN 0.421 nan 8.150 nan 0.000 0.447 1034 L N -0.422 120.741 121.223 -0.100 0.000 2.093 1034 L HA -0.161 4.180 4.340 0.002 0.000 0.208 1034 L C 2.552 179.419 176.870 -0.004 0.000 1.085 1034 L CA 2.579 57.458 54.840 0.064 0.000 0.755 1034 L CB -0.631 41.480 42.059 0.086 0.000 0.904 1034 L HN 0.622 nan 8.230 nan 0.000 0.435 1035 Q N -1.270 118.459 119.800 -0.118 0.000 2.050 1035 Q HA -0.241 4.100 4.340 0.002 0.000 0.202 1035 Q C 1.562 177.329 176.000 -0.388 0.000 0.980 1035 Q CA 2.080 57.688 55.803 -0.325 0.000 0.840 1035 Q CB -0.306 28.104 28.738 -0.546 0.000 0.898 1035 Q HN 0.680 nan 8.270 nan 0.000 0.424 1036 Y N 0.557 120.876 120.300 0.031 0.000 2.471 1036 Y HA 0.128 4.680 4.550 0.002 0.000 0.286 1036 Y C -0.017 175.926 175.900 0.072 0.000 1.188 1036 Y CA -0.057 58.070 58.100 0.046 0.000 1.286 1036 Y CB 0.609 39.093 38.460 0.040 0.000 1.072 1036 Y HN -0.001 nan 8.280 nan 0.000 0.517 1037 K N -0.925 119.570 120.400 0.158 0.000 3.117 1037 K HA -0.152 4.169 4.320 0.002 0.000 0.269 1037 K C -0.779 175.944 176.600 0.206 0.000 1.098 1037 K CA 0.339 56.723 56.287 0.162 0.000 0.785 1037 K CB -2.447 30.132 32.500 0.133 0.000 1.242 1037 K HN 0.138 nan 8.250 nan 0.000 0.491 1038 V N 1.157 121.211 119.914 0.234 0.000 2.439 1038 V HA 0.139 4.260 4.120 0.002 0.000 0.282 1038 V C 0.777 177.061 176.094 0.316 0.000 1.039 1038 V CA -0.717 61.741 62.300 0.265 0.000 0.913 1038 V CB 1.288 33.257 31.823 0.244 0.000 0.983 1038 V HN 0.350 nan 8.190 nan 0.000 0.460 1039 H N 4.843 124.075 119.070 0.271 0.000 2.848 1039 H HA 0.364 4.921 4.556 0.002 0.000 0.341 1039 H C -0.697 174.817 175.328 0.310 0.000 1.060 1039 H CA 0.225 56.435 56.048 0.272 0.000 1.444 1039 H CB 0.266 30.181 29.762 0.255 0.000 1.446 1039 H HN 0.675 nan 8.280 nan 0.000 0.583 1040 Y N 1.578 121.465 120.300 -0.689 0.000 2.534 1040 Y HA 0.443 4.994 4.550 0.002 0.000 0.345 1040 Y C -1.618 174.060 175.900 -0.371 0.000 1.031 1040 Y CA -1.339 56.503 58.100 -0.429 0.000 1.022 1040 Y CB 1.404 39.703 38.460 -0.268 0.000 1.292 1040 Y HN 0.439 nan 8.280 nan 0.000 0.459 1041 D N 1.651 121.971 120.400 -0.134 0.000 2.248 1041 D HA 0.279 4.920 4.640 0.002 0.000 0.246 1041 D C 0.259 176.579 176.300 0.033 0.000 1.027 1041 D CA -0.368 53.618 54.000 -0.024 0.000 0.853 1041 D CB 2.190 43.082 40.800 0.154 0.000 1.243 1041 D HN 0.809 nan 8.370 nan 0.000 0.462 1042 T N -2.823 111.762 114.554 0.053 0.000 3.085 1042 T HA 0.177 4.528 4.350 0.002 0.000 0.264 1042 T C 0.546 175.293 174.700 0.079 0.000 1.019 1042 T CA -0.224 61.926 62.100 0.084 0.000 0.910 1042 T CB -0.112 68.824 68.868 0.113 0.000 1.059 1042 T HN 0.403 nan 8.240 nan 0.000 0.542 1043 T N -0.841 113.767 114.554 0.090 0.000 2.912 1043 T HA 0.618 4.969 4.350 0.002 0.000 0.299 1043 T C 0.564 175.334 174.700 0.117 0.000 1.052 1043 T CA -0.863 61.304 62.100 0.112 0.000 0.996 1043 T CB 1.776 70.726 68.868 0.138 0.000 1.070 1043 T HN -0.096 nan 8.240 nan 0.000 0.465 1044 L N 2.303 123.607 121.223 0.134 0.000 2.083 1044 L HA 0.065 4.406 4.340 0.002 0.000 0.209 1044 L C 2.251 179.293 176.870 0.288 0.000 1.083 1044 L CA 1.634 56.574 54.840 0.168 0.000 0.752 1044 L CB -0.969 41.227 42.059 0.228 0.000 0.899 1044 L HN 0.710 nan 8.230 nan 0.000 0.433 1045 N N -0.334 118.524 118.700 0.263 0.000 2.104 1045 N HA -0.147 4.594 4.740 0.002 0.000 0.190 1045 N C 1.813 177.460 175.510 0.230 0.000 1.024 1045 N CA 1.444 54.657 53.050 0.271 0.000 0.853 1045 N CB -0.777 37.832 38.487 0.203 0.000 1.008 1045 N HN 0.433 nan 8.380 nan 0.000 0.424 1046 G N -0.319 108.591 108.800 0.184 0.000 2.422 1046 G HA2 -0.156 3.805 3.960 0.002 0.000 0.218 1046 G HA3 -0.156 3.805 3.960 0.002 0.000 0.218 1046 G C 1.602 176.584 174.900 0.136 0.000 1.146 1046 G CA 1.053 46.255 45.100 0.171 0.000 0.769 1046 G HN 0.443 nan 8.290 nan 0.000 0.547 1047 G N 0.434 109.299 108.800 0.109 0.000 2.421 1047 G HA2 -0.135 3.826 3.960 0.002 0.000 0.216 1047 G HA3 -0.135 3.826 3.960 0.002 0.000 0.216 1047 G C 1.590 176.413 174.900 -0.128 0.000 1.171 1047 G CA 0.748 45.861 45.100 0.021 0.000 0.775 1047 G HN 0.331 nan 8.290 nan 0.000 0.543 1048 F N 1.794 121.751 119.950 0.011 0.000 2.102 1048 F HA 0.014 4.542 4.527 0.002 0.000 0.298 1048 F C 3.089 178.835 175.800 -0.091 0.000 1.105 1048 F CA 1.115 59.100 58.000 -0.025 0.000 1.239 1048 F CB -0.554 38.445 39.000 -0.002 0.000 0.991 1048 F HN 0.241 nan 8.300 nan 0.000 0.474 1049 A N -0.570 122.240 122.820 -0.016 0.000 1.883 1049 A HA -0.213 4.108 4.320 0.002 0.000 0.217 1049 A C 2.250 179.549 177.584 -0.475 0.000 1.186 1049 A CA 2.429 54.210 52.037 -0.427 0.000 0.624 1049 A CB -1.395 17.037 19.000 -0.946 0.000 0.822 1049 A HN 0.359 nan 8.150 nan 0.000 0.444 1050 T N 0.136 114.571 114.554 -0.197 0.000 2.720 1050 T HA -0.047 4.304 4.350 0.002 0.000 0.268 1050 T C 2.199 176.815 174.700 -0.140 0.000 1.037 1050 T CA 1.657 63.742 62.100 -0.026 0.000 1.144 1050 T CB -0.460 68.382 68.868 -0.043 0.000 0.864 1050 T HN 0.621 nan 8.240 nan 0.000 0.444 1051 A N 1.471 124.194 122.820 -0.162 0.000 1.877 1051 A HA -0.097 4.224 4.320 0.002 0.000 0.216 1051 A C 2.344 179.894 177.584 -0.057 0.000 1.186 1051 A CA 1.706 53.653 52.037 -0.150 0.000 0.620 1051 A CB -0.724 18.192 19.000 -0.140 0.000 0.822 1051 A HN 0.471 nan 8.150 nan 0.000 0.443 1052 M N -0.453 119.141 119.600 -0.010 0.000 2.106 1052 M HA -0.208 4.273 4.480 0.002 0.000 0.259 1052 M C 2.427 178.725 176.300 -0.003 0.000 1.068 1052 M CA 1.603 56.919 55.300 0.026 0.000 1.100 1052 M CB -0.486 32.174 32.600 0.099 0.000 1.351 1052 M HN 0.482 nan 8.290 nan 0.000 0.404 1053 A N 0.151 122.959 122.820 -0.020 0.000 2.121 1053 A HA -0.067 4.254 4.320 0.002 0.000 0.218 1053 A C 2.060 179.630 177.584 -0.023 0.000 1.154 1053 A CA 0.970 53.005 52.037 -0.002 0.000 0.679 1053 A CB -0.887 18.177 19.000 0.107 0.000 0.795 1053 A HN 0.476 nan 8.150 nan 0.000 0.458 1054 L N -0.749 120.454 121.223 -0.033 0.000 2.261 1054 L HA -0.210 4.131 4.340 0.002 0.000 0.216 1054 L C 1.602 178.472 176.870 -0.000 0.000 1.114 1054 L CA 1.405 56.232 54.840 -0.021 0.000 0.777 1054 L CB -0.469 41.579 42.059 -0.019 0.000 0.910 1054 L HN 0.508 nan 8.230 nan 0.000 0.440 1055 N N -0.799 117.901 118.700 0.000 0.000 2.398 1055 N HA 0.147 4.888 4.740 0.002 0.000 0.188 1055 N C 0.201 175.710 175.510 -0.002 0.000 1.122 1055 N CA 0.001 53.055 53.050 0.008 0.000 0.866 1055 N CB 0.396 38.895 38.487 0.019 0.000 0.970 1055 N HN 0.230 nan 8.380 nan 0.000 0.462 1056 A N 0.083 122.893 122.820 -0.018 0.000 2.346 1056 A HA 0.514 4.835 4.320 0.002 0.000 0.313 1056 A C -1.354 176.203 177.584 -0.044 0.000 1.140 1056 A CA -0.535 51.485 52.037 -0.028 0.000 0.826 1056 A CB 1.217 20.195 19.000 -0.038 0.000 1.332 1056 A HN 0.045 nan 8.150 nan 0.000 0.457 1057 D N -0.055 120.314 120.400 -0.052 0.000 2.440 1057 D HA 0.536 5.177 4.640 0.002 0.000 0.252 1057 D C 0.732 176.977 176.300 -0.092 0.000 1.180 1057 D CA 0.219 54.175 54.000 -0.074 0.000 0.894 1057 D CB 1.314 42.076 40.800 -0.063 0.000 1.111 1057 D HN 0.512 nan 8.370 nan 0.000 0.544 1058 A N 2.555 125.302 122.820 -0.121 0.000 2.070 1058 A HA -0.103 4.218 4.320 0.002 0.000 0.220 1058 A C 1.739 179.237 177.584 -0.144 0.000 1.159 1058 A CA 1.897 53.854 52.037 -0.133 0.000 0.656 1058 A CB -0.478 18.425 19.000 -0.163 0.000 0.800 1058 A HN 0.594 nan 8.150 nan 0.000 0.453 1059 T N -3.400 111.053 114.554 -0.169 0.000 3.086 1059 T HA 0.160 4.511 4.350 0.002 0.000 0.250 1059 T C 1.344 175.969 174.700 -0.125 0.000 1.074 1059 T CA 0.685 62.678 62.100 -0.178 0.000 0.988 1059 T CB 0.208 68.930 68.868 -0.244 0.000 0.988 1059 T HN 0.602 nan 8.240 nan 0.000 0.530 1060 E N 1.606 121.749 120.200 -0.095 0.000 2.047 1060 E HA -0.018 4.333 4.350 0.002 0.000 0.191 1060 E C 0.773 177.344 176.600 -0.049 0.000 0.987 1060 E CA 0.680 57.042 56.400 -0.064 0.000 0.799 1060 E CB 0.222 29.894 29.700 -0.047 0.000 0.752 1060 E HN 0.471 nan 8.360 nan 0.000 0.449 1061 K N 0.166 120.539 120.400 -0.045 0.000 2.502 1061 K HA 0.326 4.647 4.320 0.002 0.000 0.257 1061 K C -1.335 175.253 176.600 -0.020 0.000 0.938 1061 K CA -0.691 55.580 56.287 -0.027 0.000 0.819 1061 K CB 2.295 34.789 32.500 -0.010 0.000 1.333 1061 K HN 0.041 nan 8.250 nan 0.000 0.434 1062 V N 1.176 121.094 119.914 0.006 0.000 2.864 1062 V HA 0.741 4.862 4.120 0.002 0.000 0.314 1062 V C -0.646 175.530 176.094 0.136 0.000 1.073 1062 V CA -0.915 61.425 62.300 0.066 0.000 0.956 1062 V CB 1.702 33.553 31.823 0.046 0.000 1.023 1062 V HN 0.866 nan 8.190 nan 0.000 0.435 1063 I N 2.701 123.343 120.570 0.122 0.000 2.769 1063 I HA 0.683 4.854 4.170 0.002 0.000 0.298 1063 I C 0.183 176.097 176.117 -0.338 0.000 1.128 1063 I CA -0.272 61.003 61.300 -0.042 0.000 1.031 1063 I CB 2.525 40.443 38.000 -0.136 0.000 1.235 1063 I HN 1.115 nan 8.210 nan 0.000 0.423 1064 S N 4.704 120.030 115.700 -0.622 0.000 2.646 1064 S HA 0.303 4.774 4.470 0.002 0.000 0.276 1064 S C 0.928 175.203 174.600 -0.540 0.000 1.222 1064 S CA -0.632 56.995 58.200 -0.955 0.000 1.014 1064 S CB 1.850 64.475 63.200 -0.958 0.000 0.991 1064 S HN 0.482 nan 8.310 nan 0.000 0.533 1065 V N 2.363 121.978 119.914 -0.498 0.000 2.407 1065 V HA -0.181 3.940 4.120 0.002 0.000 0.248 1065 V C 2.649 178.418 176.094 -0.542 0.000 1.055 1065 V CA 2.139 64.131 62.300 -0.512 0.000 1.049 1065 V CB -1.312 30.255 31.823 -0.428 0.000 0.662 1065 V HN 0.857 nan 8.190 nan 0.000 0.455 1066 Q N 0.114 119.707 119.800 -0.346 0.000 2.079 1066 Q HA -0.184 4.157 4.340 0.002 0.000 0.200 1066 Q C 2.187 178.101 176.000 -0.143 0.000 0.974 1066 Q CA 1.735 57.419 55.803 -0.198 0.000 0.840 1066 Q CB -0.316 28.348 28.738 -0.123 0.000 0.898 1066 Q HN 0.694 nan 8.270 nan 0.000 0.430 1067 E N -0.015 120.076 120.200 -0.182 0.000 2.072 1067 E HA -0.156 4.195 4.350 0.002 0.000 0.191 1067 E C 1.959 178.504 176.600 -0.091 0.000 0.985 1067 E CA 1.067 57.397 56.400 -0.118 0.000 0.801 1067 E CB -0.135 29.484 29.700 -0.134 0.000 0.750 1067 E HN 0.350 nan 8.360 nan 0.000 0.452 1068 M N -0.095 119.389 119.600 -0.194 0.000 2.065 1068 M HA -0.188 4.293 4.480 0.002 0.000 0.259 1068 M C 1.983 178.383 176.300 0.166 0.000 1.069 1068 M CA 1.703 56.900 55.300 -0.171 0.000 1.110 1068 M CB -0.345 32.011 32.600 -0.407 0.000 1.328 1068 M HN 0.245 nan 8.290 nan 0.000 0.405 1069 H N -1.067 118.016 119.070 0.022 0.000 2.491 1069 H HA -0.008 4.549 4.556 0.002 0.000 0.290 1069 H C 2.051 177.405 175.328 0.043 0.000 1.050 1069 H CA 0.593 56.674 56.048 0.054 0.000 1.309 1069 H CB 0.016 29.792 29.762 0.023 0.000 1.392 1069 H HN 0.458 nan 8.280 nan 0.000 0.554 1070 A N 0.980 123.880 122.820 0.133 0.000 1.970 1070 A HA -0.134 4.187 4.320 0.002 0.000 0.216 1070 A C 2.094 179.727 177.584 0.081 0.000 1.170 1070 A CA 0.802 52.887 52.037 0.080 0.000 0.645 1070 A CB -0.142 18.882 19.000 0.040 0.000 0.816 1070 A HN 0.407 nan 8.150 nan 0.000 0.447 1071 Q N -0.372 119.494 119.800 0.111 0.000 2.437 1071 Q HA 0.057 4.398 4.340 0.002 0.000 0.210 1071 Q C -0.121 175.937 176.000 0.096 0.000 0.972 1071 Q CA 0.225 56.097 55.803 0.114 0.000 0.903 1071 Q CB -0.190 28.655 28.738 0.180 0.000 0.967 1071 Q HN 0.615 nan 8.270 nan 0.000 0.486 1072 I N 2.374 123.006 120.570 0.103 0.000 2.421 1072 I HA 0.008 4.179 4.170 0.002 0.000 0.291 1072 I C 0.291 176.414 176.117 0.010 0.000 1.089 1072 I CA -0.119 61.203 61.300 0.037 0.000 1.354 1072 I CB 0.419 38.435 38.000 0.027 0.000 1.413 1072 I HN -0.099 nan 8.210 nan 0.000 0.513 1073 K N 0.000 120.393 120.400 -0.011 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1073 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 1073 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543