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 1t36_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 0.000 176.274 176.300 -0.044 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.019 0.000 1.302 2 P HA 0.288 nan 4.420 nan 0.000 0.307 2 P C -1.562 175.412 177.300 -0.543 0.000 1.306 2 P CA -0.523 62.413 63.100 -0.274 0.000 0.742 2 P CB 0.062 31.687 31.700 -0.126 0.000 1.349 3 K N 0.102 120.003 120.400 -0.831 0.000 2.414 3 K HA 0.106 4.427 4.320 0.002 0.000 0.272 3 K C 0.074 176.575 176.600 -0.164 0.000 0.993 3 K CA -0.130 55.817 56.287 -0.567 0.000 0.964 3 K CB 0.361 32.698 32.500 -0.272 0.000 0.925 3 K HN 0.190 nan 8.250 nan 0.000 0.487 4 R N 1.546 122.025 120.500 -0.035 0.000 2.522 4 R HA -0.036 4.305 4.340 0.002 0.000 0.284 4 R C 0.572 176.922 176.300 0.083 0.000 1.032 4 R CA 0.258 56.378 56.100 0.032 0.000 1.049 4 R CB 0.580 30.909 30.300 0.048 0.000 0.956 4 R HN 0.766 nan 8.270 nan 0.000 0.422 5 T N 0.616 115.189 114.554 0.031 0.000 3.037 5 T HA -0.072 4.279 4.350 0.002 0.000 0.252 5 T C 1.039 175.760 174.700 0.035 0.000 1.073 5 T CA 0.614 62.725 62.100 0.019 0.000 1.091 5 T CB 0.085 68.948 68.868 -0.007 0.000 0.935 5 T HN 0.698 nan 8.240 nan 0.000 0.488 6 D N 0.788 121.214 120.400 0.043 0.000 2.363 6 D HA 0.000 4.641 4.640 0.002 0.000 0.226 6 D C 0.431 176.770 176.300 0.064 0.000 1.020 6 D CA 0.185 54.210 54.000 0.042 0.000 0.892 6 D CB -0.030 40.788 40.800 0.030 0.000 0.900 6 D HN 0.408 nan 8.370 nan 0.000 0.531 7 I N 0.067 120.701 120.570 0.107 0.000 2.465 7 I HA 0.250 4.421 4.170 0.002 0.000 0.291 7 I C 0.549 176.802 176.117 0.227 0.000 1.014 7 I CA -0.798 60.596 61.300 0.156 0.000 1.093 7 I CB 2.269 40.366 38.000 0.162 0.000 1.267 7 I HN -0.310 nan 8.210 nan 0.000 0.431 8 K N 2.261 122.769 120.400 0.180 0.000 2.353 8 K HA 0.142 4.463 4.320 0.002 0.000 0.206 8 K C 0.385 177.116 176.600 0.218 0.000 1.191 8 K CA 0.260 56.639 56.287 0.153 0.000 0.897 8 K CB 0.514 33.051 32.500 0.062 0.000 1.283 8 K HN 0.677 nan 8.250 nan 0.000 0.477 9 S N 0.777 116.570 115.700 0.154 0.000 2.472 9 S HA 0.686 5.157 4.470 0.002 0.000 0.303 9 S C -0.401 174.256 174.600 0.095 0.000 1.099 9 S CA -0.812 57.462 58.200 0.123 0.000 1.077 9 S CB 0.983 64.232 63.200 0.080 0.000 1.031 9 S HN 0.107 nan 8.310 nan 0.000 0.487 10 I N 2.625 123.240 120.570 0.075 0.000 2.569 10 I HA 0.396 4.567 4.170 0.002 0.000 0.290 10 I C -1.188 174.943 176.117 0.022 0.000 1.088 10 I CA -0.860 60.456 61.300 0.027 0.000 1.047 10 I CB 2.105 40.091 38.000 -0.024 0.000 1.237 10 I HN 0.645 nan 8.210 nan 0.000 0.421 11 L N 7.722 128.949 121.223 0.007 0.000 2.275 11 L HA 0.619 4.960 4.340 0.002 0.000 0.288 11 L C -0.921 175.948 176.870 -0.003 0.000 1.046 11 L CA 0.138 54.979 54.840 0.001 0.000 0.805 11 L CB 0.752 42.798 42.059 -0.021 0.000 1.193 11 L HN 0.419 nan 8.230 nan 0.000 0.426 12 I N 6.321 126.895 120.570 0.006 0.000 2.330 12 I HA 0.267 4.438 4.170 0.002 0.000 0.289 12 I C -0.471 175.648 176.117 0.004 0.000 1.001 12 I CA -0.573 60.730 61.300 0.005 0.000 1.193 12 I CB 1.276 39.282 38.000 0.011 0.000 1.345 12 I HN 0.473 nan 8.210 nan 0.000 0.461 13 L N 6.336 127.555 121.223 -0.007 0.000 2.369 13 L HA 0.343 4.684 4.340 0.002 0.000 0.279 13 L C 1.020 177.882 176.870 -0.014 0.000 1.108 13 L CA -0.204 54.628 54.840 -0.013 0.000 0.852 13 L CB 0.420 42.465 42.059 -0.024 0.000 1.169 13 L HN 0.689 nan 8.230 nan 0.000 0.452 14 G N 1.799 110.598 108.800 -0.001 0.000 2.562 14 G HA2 0.386 4.347 3.960 0.002 0.000 0.275 14 G HA3 0.386 4.347 3.960 0.002 0.000 0.275 14 G C 0.773 175.661 174.900 -0.020 0.000 1.196 14 G CA 0.110 45.215 45.100 0.010 0.000 0.908 14 G HN 0.779 nan 8.290 nan 0.000 0.524 15 A N -0.657 122.160 122.820 -0.006 0.000 2.123 15 A HA 0.528 4.849 4.320 0.002 0.000 0.214 15 A C 1.664 179.239 177.584 -0.015 0.000 1.152 15 A CA 1.580 53.587 52.037 -0.052 0.000 0.728 15 A CB -0.908 18.076 19.000 -0.026 0.000 0.814 15 A HN 2.549 nan 8.150 nan 0.000 0.464 16 G N -0.865 107.941 108.800 0.011 0.000 2.660 16 G HA2 -0.103 3.858 3.960 0.002 0.000 0.215 16 G HA3 -0.103 3.858 3.960 0.002 0.000 0.215 16 G C -2.943 171.965 174.900 0.013 0.000 1.345 16 G CA -0.408 44.694 45.100 0.005 0.000 0.877 16 G HN 0.376 nan 8.290 nan 0.000 0.549 17 P HA 0.361 nan 4.420 nan 0.000 0.269 17 P C 0.394 177.696 177.300 0.003 0.000 1.209 17 P CA -0.209 62.884 63.100 -0.012 0.000 0.776 17 P CB 0.361 32.040 31.700 -0.034 0.000 0.876 18 I N 2.673 123.244 120.570 0.002 0.000 2.618 18 I HA 0.082 4.253 4.170 0.002 0.000 0.284 18 I C 0.945 177.055 176.117 -0.012 0.000 1.146 18 I CA 0.089 61.395 61.300 0.012 0.000 1.425 18 I CB 0.010 38.012 38.000 0.003 0.000 1.383 18 I HN 0.206 nan 8.210 nan 0.000 0.562 19 V N 4.872 124.782 119.914 -0.007 0.000 3.159 19 V HA 0.555 4.676 4.120 0.002 0.000 0.308 19 V C -0.084 175.982 176.094 -0.046 0.000 1.190 19 V CA -1.195 61.082 62.300 -0.038 0.000 1.037 19 V CB 2.043 33.837 31.823 -0.048 0.000 1.060 19 V HN 0.453 nan 8.190 nan 0.000 0.437 20 I N 2.680 123.198 120.570 -0.088 0.000 2.741 20 I HA 0.406 4.577 4.170 0.002 0.000 0.288 20 I C 1.555 177.610 176.117 -0.104 0.000 1.192 20 I CA 2.035 63.268 61.300 -0.112 0.000 1.426 20 I CB 0.477 38.371 38.000 -0.177 0.000 1.367 20 I HN 1.295 nan 8.210 nan 0.000 0.563 21 G N 4.787 113.536 108.800 -0.086 0.000 2.217 21 G HA2 -0.293 3.668 3.960 0.002 0.000 0.246 21 G HA3 -0.293 3.668 3.960 0.002 0.000 0.246 21 G C 0.277 175.203 174.900 0.044 0.000 0.990 21 G CA 0.173 45.232 45.100 -0.068 0.000 0.627 21 G HN 0.622 nan 8.290 nan 0.000 0.522 22 Q N -0.081 119.765 119.800 0.077 0.000 3.412 22 Q HA 0.676 5.017 4.340 0.002 0.000 0.219 22 Q C 0.133 176.256 176.000 0.204 0.000 0.913 22 Q CA 0.413 56.360 55.803 0.240 0.000 0.722 22 Q CB 0.597 29.427 28.738 0.153 0.000 1.385 22 Q HN 0.901 nan 8.270 nan 0.000 0.461 23 A N 0.363 123.260 122.820 0.129 0.000 3.791 23 A HA 0.390 4.711 4.320 0.002 0.000 0.159 23 A C 1.028 178.617 177.584 0.009 0.000 1.359 23 A CA -0.177 51.885 52.037 0.041 0.000 0.899 23 A CB -0.266 18.723 19.000 -0.019 0.000 1.642 23 A HN 0.808 nan 8.150 nan 0.000 0.612 24 C N 1.103 120.387 119.300 -0.026 0.000 2.409 24 C HA -0.069 4.392 4.460 0.002 0.000 0.284 24 C C 2.496 177.456 174.990 -0.050 0.000 1.354 24 C CA 0.975 59.990 59.018 -0.005 0.000 1.787 24 C CB -1.457 26.283 27.740 0.001 0.000 1.900 24 C HN 0.855 nan 8.230 nan 0.000 0.520 25 E N 1.580 121.649 120.200 -0.218 0.000 2.219 25 E HA -0.238 4.113 4.350 0.002 0.000 0.198 25 E C 1.368 177.791 176.600 -0.295 0.000 0.998 25 E CA 1.666 57.879 56.400 -0.311 0.000 0.818 25 E CB -0.749 28.627 29.700 -0.539 0.000 0.741 25 E HN 0.645 nan 8.360 nan 0.000 0.477 26 F N 1.503 121.515 119.950 0.103 0.000 2.615 26 F HA 0.076 4.604 4.527 0.002 0.000 0.297 26 F C 2.087 177.929 175.800 0.071 0.000 1.124 26 F CA 0.804 58.848 58.000 0.074 0.000 1.451 26 F CB -0.362 38.664 39.000 0.043 0.000 1.103 26 F HN 0.041 nan 8.300 nan 0.000 0.569 27 D N -0.693 119.819 120.400 0.185 0.000 2.137 27 D HA -0.232 4.409 4.640 0.002 0.000 0.202 27 D C 2.200 178.588 176.300 0.147 0.000 0.970 27 D CA 1.008 55.100 54.000 0.153 0.000 0.837 27 D CB -0.342 40.538 40.800 0.134 0.000 0.981 27 D HN 0.250 nan 8.370 nan 0.000 0.475 28 Y N 1.163 121.474 120.300 0.019 0.000 2.097 28 Y HA -0.212 4.339 4.550 0.002 0.000 0.282 28 Y C 2.356 178.266 175.900 0.017 0.000 1.152 28 Y CA 2.248 60.348 58.100 -0.001 0.000 1.136 28 Y CB -0.708 37.732 38.460 -0.033 0.000 0.975 28 Y HN -0.054 nan 8.280 nan 0.000 0.498 29 S N 0.153 115.773 115.700 -0.133 0.000 2.355 29 S HA -0.119 4.352 4.470 0.002 0.000 0.222 29 S C 2.268 176.824 174.600 -0.074 0.000 1.031 29 S CA 1.170 59.266 58.200 -0.174 0.000 0.993 29 S CB -1.229 62.005 63.200 0.056 0.000 0.859 29 S HN 0.728 nan 8.310 nan 0.000 0.453 30 G N 1.409 110.230 108.800 0.035 0.000 2.442 30 G HA2 -0.085 3.876 3.960 0.002 0.000 0.219 30 G HA3 -0.085 3.876 3.960 0.002 0.000 0.219 30 G C 1.537 176.436 174.900 -0.001 0.000 1.141 30 G CA 0.987 46.110 45.100 0.037 0.000 0.763 30 G HN 0.579 nan 8.290 nan 0.000 0.554 31 A N 0.301 123.111 122.820 -0.016 0.000 1.873 31 A HA -0.049 4.272 4.320 0.002 0.000 0.215 31 A C 2.329 179.869 177.584 -0.072 0.000 1.186 31 A CA 1.813 53.837 52.037 -0.022 0.000 0.616 31 A CB -0.460 18.540 19.000 -0.000 0.000 0.823 31 A HN 0.422 nan 8.150 nan 0.000 0.442 32 Q N -0.578 119.122 119.800 -0.166 0.000 2.096 32 Q HA -0.200 4.141 4.340 0.002 0.000 0.204 32 Q C 2.461 178.400 176.000 -0.100 0.000 0.982 32 Q CA 1.518 57.209 55.803 -0.186 0.000 0.850 32 Q CB -0.422 28.111 28.738 -0.342 0.000 0.901 32 Q HN 0.692 nan 8.270 nan 0.000 0.422 33 A N 0.501 123.274 122.820 -0.079 0.000 1.858 33 A HA -0.217 4.104 4.320 0.002 0.000 0.216 33 A C 2.410 179.984 177.584 -0.017 0.000 1.190 33 A CA 1.479 53.494 52.037 -0.038 0.000 0.617 33 A CB -1.108 17.879 19.000 -0.022 0.000 0.827 33 A HN 0.505 nan 8.150 nan 0.000 0.443 34 C N -0.784 118.511 119.300 -0.007 0.000 2.413 34 C HA -0.112 4.349 4.460 0.002 0.000 0.276 34 C C 2.752 177.752 174.990 0.016 0.000 1.248 34 C CA 1.529 60.555 59.018 0.013 0.000 1.742 34 C CB -1.045 26.707 27.740 0.020 0.000 2.017 34 C HN 0.759 nan 8.230 nan 0.000 0.481 35 K N 0.988 121.387 120.400 -0.001 0.000 2.026 35 K HA -0.127 4.194 4.320 0.002 0.000 0.208 35 K C 2.135 178.741 176.600 0.011 0.000 1.048 35 K CA 1.676 57.963 56.287 0.001 0.000 0.929 35 K CB -0.350 32.137 32.500 -0.021 0.000 0.713 35 K HN 0.382 nan 8.250 nan 0.000 0.439 36 A N 1.170 123.989 122.820 -0.002 0.000 1.902 36 A HA -0.121 4.200 4.320 0.002 0.000 0.217 36 A C 2.120 179.736 177.584 0.053 0.000 1.181 36 A CA 1.444 53.485 52.037 0.007 0.000 0.623 36 A CB -0.603 18.388 19.000 -0.016 0.000 0.818 36 A HN 0.345 nan 8.150 nan 0.000 0.443 37 L N -1.386 119.871 121.223 0.056 0.000 2.131 37 L HA -0.067 4.274 4.340 0.002 0.000 0.206 37 L C 2.764 179.759 176.870 0.208 0.000 1.087 37 L CA 1.248 56.157 54.840 0.114 0.000 0.767 37 L CB -0.496 41.573 42.059 0.017 0.000 0.917 37 L HN 0.438 nan 8.230 nan 0.000 0.441 38 R N 0.860 121.435 120.500 0.126 0.000 2.092 38 R HA -0.169 4.172 4.340 0.002 0.000 0.231 38 R C 1.935 178.296 176.300 0.101 0.000 1.119 38 R CA 1.332 57.499 56.100 0.113 0.000 0.970 38 R CB -0.039 30.302 30.300 0.069 0.000 0.864 38 R HN 0.402 nan 8.270 nan 0.000 0.440 39 E N 0.118 120.370 120.200 0.086 0.000 2.160 39 E HA -0.157 4.194 4.350 0.002 0.000 0.195 39 E C 0.812 177.467 176.600 0.092 0.000 0.991 39 E CA 0.966 57.405 56.400 0.065 0.000 0.810 39 E CB 0.161 29.886 29.700 0.041 0.000 0.742 39 E HN 0.320 nan 8.360 nan 0.000 0.466 40 E N -0.515 119.790 120.200 0.174 0.000 2.403 40 E HA 0.067 4.418 4.350 0.002 0.000 0.188 40 E C 0.690 177.354 176.600 0.108 0.000 1.056 40 E CA 0.375 56.924 56.400 0.247 0.000 0.892 40 E CB 0.623 30.620 29.700 0.495 0.000 1.049 40 E HN 0.346 nan 8.360 nan 0.000 0.465 41 G N 1.323 110.158 108.800 0.059 0.000 2.225 41 G HA2 -0.320 3.641 3.960 0.002 0.000 0.267 41 G HA3 -0.320 3.641 3.960 0.002 0.000 0.267 41 G C -0.142 174.680 174.900 -0.129 0.000 1.024 41 G CA 0.430 45.498 45.100 -0.053 0.000 0.784 41 G HN 0.279 nan 8.290 nan 0.000 0.507 42 Y N -1.062 119.264 120.300 0.043 0.000 2.374 42 Y HA 0.595 5.146 4.550 0.002 0.000 0.322 42 Y C 1.136 177.055 175.900 0.032 0.000 1.275 42 Y CA -0.928 57.195 58.100 0.038 0.000 1.307 42 Y CB 0.839 39.325 38.460 0.044 0.000 1.282 42 Y HN 0.116 nan 8.280 nan 0.000 0.509 43 R N 1.406 122.024 120.500 0.197 0.000 2.202 43 R HA 0.478 4.819 4.340 0.002 0.000 0.334 43 R C -1.801 174.574 176.300 0.124 0.000 1.036 43 R CA -0.321 55.852 56.100 0.121 0.000 0.878 43 R CB 0.268 30.621 30.300 0.087 0.000 1.067 43 R HN 0.517 nan 8.270 nan 0.000 0.457 44 V N 7.241 127.214 119.914 0.098 0.000 2.394 44 V HA 0.378 4.499 4.120 0.002 0.000 0.282 44 V C 0.181 176.319 176.094 0.073 0.000 1.031 44 V CA -0.543 61.805 62.300 0.080 0.000 0.881 44 V CB 1.450 33.316 31.823 0.071 0.000 0.982 44 V HN 0.666 nan 8.190 nan 0.000 0.451 45 I N 6.455 127.069 120.570 0.073 0.000 2.474 45 I HA 0.664 4.835 4.170 0.002 0.000 0.294 45 I C -0.593 175.577 176.117 0.088 0.000 1.005 45 I CA -0.683 60.677 61.300 0.099 0.000 1.113 45 I CB 1.801 39.856 38.000 0.092 0.000 1.289 45 I HN 0.564 nan 8.210 nan 0.000 0.436 46 L N 5.017 126.314 121.223 0.125 0.000 2.376 46 L HA 0.898 5.239 4.340 0.002 0.000 0.258 46 L C -1.326 175.620 176.870 0.127 0.000 1.013 46 L CA -0.926 53.969 54.840 0.091 0.000 0.822 46 L CB 2.038 44.134 42.059 0.063 0.000 1.388 46 L HN 0.344 nan 8.230 nan 0.000 0.413 47 V N 2.163 122.120 119.914 0.070 0.000 2.531 47 V HA 0.719 4.840 4.120 0.002 0.000 0.301 47 V C -1.482 174.638 176.094 0.044 0.000 1.034 47 V CA 0.033 62.374 62.300 0.069 0.000 0.865 47 V CB 1.576 33.407 31.823 0.013 0.000 0.995 47 V HN 0.940 nan 8.190 nan 0.000 0.424 48 N N 3.135 121.864 118.700 0.049 0.000 2.578 48 N HA 0.200 4.941 4.740 0.002 0.000 0.282 48 N C 0.508 176.032 175.510 0.023 0.000 1.119 48 N CA 0.328 53.398 53.050 0.033 0.000 0.948 48 N CB 2.383 40.894 38.487 0.040 0.000 1.546 48 N HN 0.673 nan 8.380 nan 0.000 0.525 49 S N 1.549 117.256 115.700 0.010 0.000 2.515 49 S HA -0.026 4.445 4.470 0.002 0.000 0.231 49 S C 0.727 175.323 174.600 -0.006 0.000 0.987 49 S CA 0.202 58.400 58.200 -0.002 0.000 0.936 49 S CB -0.157 63.034 63.200 -0.016 0.000 0.766 49 S HN 0.533 nan 8.310 nan 0.000 0.528 50 N N 3.411 122.110 118.700 -0.000 0.000 2.402 50 N HA 0.250 4.991 4.740 0.002 0.000 0.252 50 N C -1.767 173.736 175.510 -0.012 0.000 1.118 50 N CA -2.330 50.714 53.050 -0.009 0.000 0.945 50 N CB 1.369 39.857 38.487 0.002 0.000 1.147 50 N HN 0.074 nan 8.380 nan 0.000 0.495 51 P HA 0.002 nan 4.420 nan 0.000 0.229 51 P C 0.182 177.387 177.300 -0.158 0.000 1.160 51 P CA 0.526 63.606 63.100 -0.033 0.000 0.777 51 P CB 0.178 31.910 31.700 0.054 0.000 0.814 52 A N 0.286 122.990 122.820 -0.192 0.000 2.503 52 A HA 0.280 4.601 4.320 0.002 0.000 0.263 52 A C 0.576 178.068 177.584 -0.154 0.000 1.360 52 A CA 0.054 51.872 52.037 -0.366 0.000 0.969 52 A CB -1.313 17.521 19.000 -0.277 0.000 1.000 52 A HN 0.283 nan 8.150 nan 0.000 0.530 53 T N -3.106 111.437 114.554 -0.019 0.000 2.856 53 T HA 0.521 4.872 4.350 0.002 0.000 0.283 53 T C 0.857 175.746 174.700 0.315 0.000 1.008 53 T CA -0.689 61.504 62.100 0.156 0.000 0.997 53 T CB 1.073 70.000 68.868 0.097 0.000 0.992 53 T HN -0.028 nan 8.240 nan 0.000 0.454 54 I N 2.373 123.126 120.570 0.306 0.000 2.493 54 I HA -0.118 4.053 4.170 0.002 0.000 0.254 54 I C 2.454 178.676 176.117 0.175 0.000 1.160 54 I CA 1.399 62.843 61.300 0.240 0.000 1.445 54 I CB -0.946 37.128 38.000 0.123 0.000 1.086 54 I HN 0.868 nan 8.210 nan 0.000 0.433 55 M N 0.427 120.110 119.600 0.140 0.000 2.358 55 M HA -0.123 4.358 4.480 0.002 0.000 0.264 55 M C 1.562 177.915 176.300 0.090 0.000 1.064 55 M CA 2.048 57.406 55.300 0.096 0.000 1.093 55 M CB -0.884 31.762 32.600 0.076 0.000 1.401 55 M HN 0.230 nan 8.290 nan 0.000 0.440 56 T N -2.328 112.291 114.554 0.108 0.000 3.235 56 T HA 0.184 4.535 4.350 0.002 0.000 0.251 56 T C -0.187 174.571 174.700 0.098 0.000 1.060 56 T CA -0.572 61.573 62.100 0.076 0.000 0.949 56 T CB -0.548 68.349 68.868 0.048 0.000 1.020 56 T HN 0.247 nan 8.240 nan 0.000 0.564 57 D N 3.612 124.100 120.400 0.145 0.000 2.383 57 D HA 0.191 4.833 4.640 0.002 0.000 0.252 57 D C -1.351 175.001 176.300 0.088 0.000 1.166 57 D CA -2.154 51.945 54.000 0.165 0.000 0.879 57 D CB 1.793 42.708 40.800 0.192 0.000 1.164 57 D HN 0.082 nan 8.370 nan 0.000 0.462 58 P HA -0.223 nan 4.420 nan 0.000 0.217 58 P C 1.065 178.383 177.300 0.030 0.000 1.158 58 P CA 1.390 64.507 63.100 0.028 0.000 0.887 58 P CB 0.136 31.882 31.700 0.076 0.000 0.792 59 E N -1.172 119.055 120.200 0.045 0.000 2.516 59 E HA -0.075 4.276 4.350 0.002 0.000 0.199 59 E C 1.392 178.005 176.600 0.023 0.000 1.069 59 E CA 0.743 57.160 56.400 0.027 0.000 0.876 59 E CB -0.660 29.049 29.700 0.016 0.000 0.843 59 E HN 0.226 nan 8.360 nan 0.000 0.530 60 M N 0.560 120.179 119.600 0.031 0.000 2.476 60 M HA 0.293 4.774 4.480 0.002 0.000 0.262 60 M C 0.975 177.293 176.300 0.030 0.000 1.111 60 M CA 0.360 55.679 55.300 0.030 0.000 1.127 60 M CB 0.081 32.706 32.600 0.043 0.000 1.376 60 M HN 0.164 nan 8.290 nan 0.000 0.465 61 A N -0.611 122.225 122.820 0.025 0.000 2.583 61 A HA 0.489 4.810 4.320 0.002 0.000 0.289 61 A C 0.041 177.635 177.584 0.017 0.000 1.151 61 A CA -0.647 51.407 52.037 0.028 0.000 0.695 61 A CB 0.760 19.780 19.000 0.033 0.000 1.290 61 A HN 0.144 nan 8.150 nan 0.000 0.419 62 D N 0.238 120.654 120.400 0.028 0.000 2.091 62 D HA 0.189 4.830 4.640 0.002 0.000 0.199 62 D C 0.802 177.103 176.300 0.001 0.000 0.980 62 D CA 2.119 56.132 54.000 0.022 0.000 0.831 62 D CB 0.082 40.907 40.800 0.042 0.000 0.987 62 D HN 0.765 nan 8.370 nan 0.000 0.460 63 A N 0.800 123.630 122.820 0.018 0.000 2.522 63 A HA 0.468 4.789 4.320 0.002 0.000 0.285 63 A C -0.636 176.942 177.584 -0.010 0.000 1.198 63 A CA -0.570 51.458 52.037 -0.015 0.000 0.742 63 A CB 1.063 20.141 19.000 0.129 0.000 1.176 63 A HN -0.117 nan 8.150 nan 0.000 0.444 64 T N 2.447 116.889 114.554 -0.186 0.000 2.749 64 T HA 0.515 4.866 4.350 0.002 0.000 0.287 64 T C -0.988 173.526 174.700 -0.310 0.000 0.970 64 T CA 0.305 62.324 62.100 -0.135 0.000 0.980 64 T CB 0.090 68.889 68.868 -0.115 0.000 0.924 64 T HN 0.405 nan 8.240 nan 0.000 0.456 65 Y N 2.334 122.600 120.300 -0.058 0.000 2.328 65 Y HA 0.465 5.016 4.550 0.002 0.000 0.333 65 Y C 0.381 176.244 175.900 -0.062 0.000 0.958 65 Y CA -1.030 57.028 58.100 -0.070 0.000 1.167 65 Y CB 0.937 39.358 38.460 -0.066 0.000 1.151 65 Y HN 0.543 nan 8.280 nan 0.000 0.470 66 I N 5.184 125.767 120.570 0.021 0.000 2.268 66 I HA 0.242 4.413 4.170 0.002 0.000 0.290 66 I C -0.435 175.692 176.117 0.016 0.000 1.125 66 I CA -0.008 61.297 61.300 0.008 0.000 1.236 66 I CB -0.038 37.942 38.000 -0.032 0.000 1.469 66 I HN 0.574 nan 8.210 nan 0.000 0.512 67 E N 5.689 125.912 120.200 0.037 0.000 2.408 67 E HA 0.430 4.781 4.350 0.002 0.000 0.275 67 E C -2.645 173.949 176.600 -0.010 0.000 0.935 67 E CA -2.135 54.271 56.400 0.009 0.000 0.775 67 E CB 1.971 31.685 29.700 0.025 0.000 1.277 67 E HN 0.036 nan 8.360 nan 0.000 0.455 68 P HA 0.050 nan 4.420 nan 0.000 0.261 68 P C 0.009 177.310 177.300 0.003 0.000 1.183 68 P CA 0.449 63.534 63.100 -0.025 0.000 0.761 68 P CB 0.067 31.739 31.700 -0.047 0.000 0.785 69 I N 3.756 124.332 120.570 0.010 0.000 2.268 69 I HA 0.067 4.238 4.170 0.002 0.000 0.298 69 I C 0.984 177.124 176.117 0.039 0.000 1.185 69 I CA 0.184 61.493 61.300 0.014 0.000 1.548 69 I CB -0.908 37.090 38.000 -0.002 0.000 1.492 69 I HN 0.412 nan 8.210 nan 0.000 0.711 70 H N 5.909 124.946 119.070 -0.054 0.000 2.495 70 H HA 0.086 4.643 4.556 0.002 0.000 0.348 70 H C 0.512 175.784 175.328 -0.093 0.000 1.113 70 H CA -0.887 55.119 56.048 -0.071 0.000 1.195 70 H CB 1.643 31.316 29.762 -0.149 0.000 1.521 70 H HN 0.592 nan 8.280 nan 0.000 0.509 71 W N 4.692 125.893 121.300 -0.166 0.000 2.342 71 W HA -0.103 4.558 4.660 0.002 0.000 0.297 71 W C 0.510 177.096 176.519 0.111 0.000 1.213 71 W CA 0.937 58.263 57.345 -0.031 0.000 1.251 71 W CB -0.425 28.970 29.460 -0.108 0.000 1.136 71 W HN 0.626 nan 8.180 nan 0.000 0.526 72 E N 0.758 120.452 120.200 -0.844 0.000 2.268 72 E HA -0.123 4.228 4.350 0.002 0.000 0.195 72 E C 2.350 178.734 176.600 -0.360 0.000 0.995 72 E CA 1.299 57.187 56.400 -0.853 0.000 0.836 72 E CB 0.025 29.182 29.700 -0.906 0.000 0.763 72 E HN 0.154 nan 8.360 nan 0.000 0.491 73 V N 0.319 120.110 119.914 -0.203 0.000 2.446 73 V HA -0.150 3.972 4.120 0.002 0.000 0.244 73 V C 2.186 178.185 176.094 -0.159 0.000 1.039 73 V CA 0.855 63.053 62.300 -0.169 0.000 1.045 73 V CB 0.135 31.882 31.823 -0.127 0.000 0.681 73 V HN 0.109 nan 8.190 nan 0.000 0.459 74 V N 0.459 120.311 119.914 -0.104 0.000 2.490 74 V HA -0.258 3.863 4.120 0.002 0.000 0.250 74 V C 2.508 178.515 176.094 -0.145 0.000 1.061 74 V CA 2.260 64.490 62.300 -0.116 0.000 1.064 74 V CB -0.905 30.899 31.823 -0.031 0.000 0.670 74 V HN 0.505 nan 8.190 nan 0.000 0.461 75 R N 0.457 120.901 120.500 -0.093 0.000 2.073 75 R HA -0.170 4.171 4.340 0.002 0.000 0.234 75 R C 2.409 178.578 176.300 -0.219 0.000 1.134 75 R CA 1.398 57.443 56.100 -0.091 0.000 0.952 75 R CB -0.126 30.190 30.300 0.027 0.000 0.850 75 R HN 0.329 nan 8.270 nan 0.000 0.433 76 K N 0.598 120.878 120.400 -0.200 0.000 2.152 76 K HA -0.139 4.182 4.320 0.002 0.000 0.206 76 K C 2.075 178.505 176.600 -0.284 0.000 1.048 76 K CA 1.265 57.428 56.287 -0.208 0.000 0.933 76 K CB -0.334 32.066 32.500 -0.166 0.000 0.721 76 K HN 0.370 nan 8.250 nan 0.000 0.447 77 I N 0.589 120.948 120.570 -0.353 0.000 2.252 77 I HA -0.223 3.948 4.170 0.002 0.000 0.245 77 I C 2.341 178.214 176.117 -0.408 0.000 1.102 77 I CA 0.905 61.902 61.300 -0.506 0.000 1.385 77 I CB -0.198 37.388 38.000 -0.690 0.000 1.064 77 I HN 0.011 nan 8.210 nan 0.000 0.414 78 I N 0.528 120.865 120.570 -0.389 0.000 2.163 78 I HA -0.301 3.870 4.170 0.002 0.000 0.240 78 I C 2.685 178.440 176.117 -0.604 0.000 1.081 78 I CA 1.472 62.520 61.300 -0.419 0.000 1.353 78 I CB -0.369 37.382 38.000 -0.416 0.000 1.054 78 I HN 0.297 nan 8.210 nan 0.000 0.407 79 E N 1.549 121.245 120.200 -0.840 0.000 2.070 79 E HA -0.343 4.008 4.350 0.002 0.000 0.197 79 E C 2.190 178.612 176.600 -0.296 0.000 1.004 79 E CA 1.977 57.876 56.400 -0.835 0.000 0.805 79 E CB -0.054 29.356 29.700 -0.483 0.000 0.744 79 E HN 0.400 nan 8.360 nan 0.000 0.451 80 K N -0.175 120.089 120.400 -0.228 0.000 2.167 80 K HA -0.099 4.222 4.320 0.002 0.000 0.203 80 K C 1.679 178.239 176.600 -0.067 0.000 1.052 80 K CA 1.313 57.538 56.287 -0.104 0.000 0.956 80 K CB 0.205 32.662 32.500 -0.071 0.000 0.735 80 K HN 0.037 nan 8.250 nan 0.000 0.451 81 E N 0.533 120.668 120.200 -0.108 0.000 2.431 81 E HA 0.042 4.393 4.350 0.002 0.000 0.200 81 E C -0.367 176.219 176.600 -0.024 0.000 0.995 81 E CA -0.024 56.355 56.400 -0.035 0.000 0.915 81 E CB 0.478 30.167 29.700 -0.018 0.000 0.930 81 E HN 0.180 nan 8.360 nan 0.000 0.496 82 R N 1.094 121.556 120.500 -0.063 0.000 3.059 82 R HA -0.125 4.216 4.340 0.002 0.000 0.251 82 R C -2.450 173.863 176.300 0.022 0.000 0.886 82 R CA 0.321 56.421 56.100 0.001 0.000 0.634 82 R CB -2.394 27.946 30.300 0.067 0.000 1.282 82 R HN 0.222 nan 8.270 nan 0.000 0.487 83 P HA 0.136 nan 4.420 nan 0.000 0.275 83 P C 0.400 177.726 177.300 0.043 0.000 1.227 83 P CA -0.298 62.814 63.100 0.020 0.000 0.781 83 P CB 0.750 32.447 31.700 -0.004 0.000 0.906 84 D N 0.801 121.233 120.400 0.053 0.000 2.137 84 D HA 0.037 4.678 4.640 0.002 0.000 0.202 84 D C 0.850 177.177 176.300 0.046 0.000 0.970 84 D CA 1.282 55.316 54.000 0.057 0.000 0.837 84 D CB 0.178 41.019 40.800 0.067 0.000 0.981 84 D HN 0.458 nan 8.370 nan 0.000 0.475 85 A N -0.178 122.662 122.820 0.034 0.000 2.479 85 A HA 0.628 4.949 4.320 0.002 0.000 0.296 85 A C -1.312 176.275 177.584 0.006 0.000 1.121 85 A CA -0.569 51.478 52.037 0.017 0.000 0.743 85 A CB 2.492 21.493 19.000 0.002 0.000 1.323 85 A HN -0.053 nan 8.150 nan 0.000 0.415 86 V N 1.280 121.194 119.914 0.000 0.000 2.569 86 V HA 0.567 4.688 4.120 0.002 0.000 0.301 86 V C -1.720 174.368 176.094 -0.009 0.000 1.044 86 V CA -0.526 61.772 62.300 -0.004 0.000 0.874 86 V CB 1.378 33.201 31.823 0.000 0.000 1.002 86 V HN 0.916 nan 8.190 nan 0.000 0.424 87 L N 10.512 131.727 121.223 -0.014 0.000 2.264 87 L HA 0.742 5.083 4.340 0.002 0.000 0.287 87 L C -2.051 174.812 176.870 -0.011 0.000 1.039 87 L CA -1.164 53.667 54.840 -0.015 0.000 0.829 87 L CB 1.840 43.886 42.059 -0.022 0.000 1.211 87 L HN 0.508 nan 8.230 nan 0.000 0.427 88 P HA 0.154 nan 4.420 nan 0.000 0.291 88 P C 0.346 177.632 177.300 -0.024 0.000 1.388 88 P CA 0.066 63.156 63.100 -0.016 0.000 1.061 88 P CB 0.428 32.123 31.700 -0.007 0.000 1.534 89 T N -4.069 110.478 114.554 -0.012 0.000 3.206 89 T HA 0.280 4.631 4.350 0.002 0.000 0.253 89 T C 1.034 175.738 174.700 0.006 0.000 1.042 89 T CA -0.055 62.040 62.100 -0.008 0.000 0.931 89 T CB -0.434 68.441 68.868 0.012 0.000 1.029 89 T HN -0.138 nan 8.240 nan 0.000 0.564 90 M N 0.795 120.395 119.600 -0.002 0.000 2.412 90 M HA 0.391 4.872 4.480 0.002 0.000 0.315 90 M C 1.242 177.554 176.300 0.020 0.000 1.092 90 M CA 0.009 55.341 55.300 0.054 0.000 0.974 90 M CB 0.888 33.516 32.600 0.048 0.000 1.437 90 M HN 0.430 nan 8.290 nan 0.000 0.524 91 G N 0.119 108.828 108.800 -0.152 0.000 4.144 91 G HA2 0.490 4.451 3.960 0.002 0.000 0.297 91 G HA3 0.490 4.451 3.960 0.002 0.000 0.297 91 G C 0.749 175.266 174.900 -0.639 0.000 1.090 91 G CA 0.139 45.072 45.100 -0.278 0.000 0.870 91 G HN 0.567 nan 8.290 nan 0.000 0.532 92 G N 0.615 108.691 108.800 -1.207 0.000 2.601 92 G HA2 -0.333 3.628 3.960 0.002 0.000 0.252 92 G HA3 -0.333 3.628 3.960 0.002 0.000 0.252 92 G C 0.849 175.473 174.900 -0.459 0.000 1.294 92 G CA 0.613 44.972 45.100 -1.234 0.000 0.912 92 G HN 0.534 nan 8.290 nan 0.000 0.574 93 Q N -1.089 118.542 119.800 -0.282 0.000 2.167 93 Q HA 0.041 4.382 4.340 0.002 0.000 0.202 93 Q C 2.875 178.818 176.000 -0.095 0.000 0.970 93 Q CA 2.754 58.483 55.803 -0.123 0.000 0.855 93 Q CB -0.688 28.014 28.738 -0.060 0.000 0.911 93 Q HN 0.726 nan 8.270 nan 0.000 0.438 94 T N 0.213 114.691 114.554 -0.126 0.000 2.635 94 T HA -0.268 4.083 4.350 0.002 0.000 0.267 94 T C 1.654 176.308 174.700 -0.077 0.000 1.040 94 T CA 1.725 63.773 62.100 -0.086 0.000 1.156 94 T CB -0.661 68.153 68.868 -0.090 0.000 0.863 94 T HN 0.503 nan 8.240 nan 0.000 0.430 95 A N 1.065 123.816 122.820 -0.115 0.000 1.877 95 A HA -0.026 4.295 4.320 0.002 0.000 0.216 95 A C 2.354 179.911 177.584 -0.045 0.000 1.186 95 A CA 1.381 53.369 52.037 -0.082 0.000 0.620 95 A CB -0.907 18.033 19.000 -0.101 0.000 0.822 95 A HN 0.493 nan 8.150 nan 0.000 0.443 96 L N -0.412 120.788 121.223 -0.038 0.000 1.989 96 L HA -0.251 4.090 4.340 0.002 0.000 0.211 96 L C 2.421 179.324 176.870 0.056 0.000 1.071 96 L CA 1.583 56.438 54.840 0.026 0.000 0.749 96 L CB -0.921 41.171 42.059 0.054 0.000 0.890 96 L HN 0.362 nan 8.230 nan 0.000 0.431 97 N N -0.379 118.350 118.700 0.047 0.000 2.061 97 N HA -0.234 4.507 4.740 0.002 0.000 0.193 97 N C 1.884 177.365 175.510 -0.048 0.000 1.030 97 N CA 1.703 54.755 53.050 0.003 0.000 0.856 97 N CB -0.998 37.487 38.487 -0.004 0.000 1.023 97 N HN 0.356 nan 8.380 nan 0.000 0.424 98 C N 0.646 119.928 119.300 -0.030 0.000 2.453 98 C HA 0.083 4.544 4.460 0.002 0.000 0.277 98 C C 2.774 177.754 174.990 -0.017 0.000 1.262 98 C CA 0.948 59.956 59.018 -0.017 0.000 1.718 98 C CB -1.299 26.439 27.740 -0.003 0.000 2.031 98 C HN 0.501 nan 8.230 nan 0.000 0.480 99 A N 0.072 122.883 122.820 -0.015 0.000 1.873 99 A HA -0.150 4.171 4.320 0.002 0.000 0.218 99 A C 1.923 179.487 177.584 -0.033 0.000 1.193 99 A CA 1.904 53.934 52.037 -0.012 0.000 0.629 99 A CB -0.765 18.235 19.000 -0.001 0.000 0.826 99 A HN 0.524 nan 8.150 nan 0.000 0.447 100 L N -0.630 120.565 121.223 -0.047 0.000 2.201 100 L HA -0.075 4.266 4.340 0.002 0.000 0.212 100 L C 2.340 179.113 176.870 -0.162 0.000 1.105 100 L CA 2.051 56.835 54.840 -0.093 0.000 0.775 100 L CB -0.606 41.385 42.059 -0.114 0.000 0.913 100 L HN 0.549 nan 8.230 nan 0.000 0.440 101 E N -0.353 119.739 120.200 -0.180 0.000 2.112 101 E HA -0.123 4.228 4.350 0.002 0.000 0.190 101 E C 2.202 178.614 176.600 -0.313 0.000 0.979 101 E CA 0.998 57.224 56.400 -0.290 0.000 0.814 101 E CB -0.203 29.324 29.700 -0.289 0.000 0.762 101 E HN 0.380 nan 8.360 nan 0.000 0.460 102 L N 0.626 121.765 121.223 -0.140 0.000 2.012 102 L HA -0.222 4.119 4.340 0.002 0.000 0.210 102 L C 2.603 179.414 176.870 -0.097 0.000 1.073 102 L CA 1.959 56.766 54.840 -0.055 0.000 0.748 102 L CB -0.585 41.495 42.059 0.036 0.000 0.891 102 L HN 0.280 nan 8.230 nan 0.000 0.431 103 E N 0.628 120.772 120.200 -0.093 0.000 2.023 103 E HA -0.306 4.045 4.350 0.002 0.000 0.196 103 E C 2.296 178.823 176.600 -0.123 0.000 1.003 103 E CA 1.676 58.029 56.400 -0.079 0.000 0.809 103 E CB -0.258 29.404 29.700 -0.063 0.000 0.755 103 E HN 0.193 nan 8.360 nan 0.000 0.449 104 R N -0.372 120.021 120.500 -0.180 0.000 2.103 104 R HA -0.159 4.182 4.340 0.002 0.000 0.242 104 R C 2.195 178.342 176.300 -0.256 0.000 1.142 104 R CA 1.879 57.851 56.100 -0.213 0.000 0.960 104 R CB -0.113 30.030 30.300 -0.261 0.000 0.858 104 R HN 0.344 nan 8.270 nan 0.000 0.439 105 Q N -0.679 118.895 119.800 -0.377 0.000 2.515 105 Q HA 0.013 4.354 4.340 0.002 0.000 0.212 105 Q C 0.976 176.872 176.000 -0.174 0.000 0.970 105 Q CA 1.002 56.553 55.803 -0.421 0.000 0.941 105 Q CB 0.535 28.740 28.738 -0.888 0.000 0.998 105 Q HN 0.694 nan 8.270 nan 0.000 0.518 106 G N 0.283 109.020 108.800 -0.106 0.000 2.153 106 G HA2 -0.296 3.665 3.960 0.002 0.000 0.252 106 G HA3 -0.296 3.665 3.960 0.002 0.000 0.252 106 G C 0.907 175.826 174.900 0.031 0.000 0.994 106 G CA 0.481 45.559 45.100 -0.036 0.000 0.698 106 G HN 0.328 nan 8.290 nan 0.000 0.521 107 V N 0.445 120.400 119.914 0.068 0.000 2.548 107 V HA -0.043 4.078 4.120 0.002 0.000 0.249 107 V C 2.865 179.091 176.094 0.220 0.000 1.055 107 V CA 2.023 64.443 62.300 0.201 0.000 1.065 107 V CB -0.391 31.587 31.823 0.258 0.000 0.681 107 V HN 0.497 nan 8.190 nan 0.000 0.462 108 L N -0.096 121.198 121.223 0.118 0.000 2.093 108 L HA -0.174 4.167 4.340 0.002 0.000 0.208 108 L C 2.542 179.470 176.870 0.097 0.000 1.085 108 L CA 1.799 56.705 54.840 0.110 0.000 0.755 108 L CB -0.557 41.535 42.059 0.054 0.000 0.904 108 L HN 0.386 nan 8.230 nan 0.000 0.435 109 E N 0.665 120.894 120.200 0.049 0.000 2.031 109 E HA -0.295 4.056 4.350 0.002 0.000 0.193 109 E C 2.123 178.705 176.600 -0.029 0.000 0.994 109 E CA 1.474 57.879 56.400 0.007 0.000 0.800 109 E CB 0.005 29.695 29.700 -0.016 0.000 0.752 109 E HN 0.382 nan 8.360 nan 0.000 0.447 110 E N -0.872 119.297 120.200 -0.052 0.000 2.114 110 E HA -0.216 4.135 4.350 0.002 0.000 0.199 110 E C 0.881 177.178 176.600 -0.506 0.000 1.008 110 E CA 1.380 57.626 56.400 -0.258 0.000 0.810 110 E CB -0.065 29.504 29.700 -0.219 0.000 0.739 110 E HN 0.318 nan 8.360 nan 0.000 0.456 111 F N -0.893 119.064 119.950 0.012 0.000 2.654 111 F HA 0.336 4.864 4.527 0.002 0.000 0.303 111 F C 0.968 176.773 175.800 0.008 0.000 1.099 111 F CA 0.258 58.264 58.000 0.010 0.000 1.270 111 F CB 1.305 40.311 39.000 0.010 0.000 1.024 111 F HN 0.083 nan 8.300 nan 0.000 0.548 112 G N 1.671 110.538 108.800 0.112 0.000 2.350 112 G HA2 -0.239 3.722 3.960 0.002 0.000 0.298 112 G HA3 -0.239 3.722 3.960 0.002 0.000 0.298 112 G C -0.283 174.669 174.900 0.086 0.000 1.037 112 G CA 0.081 45.224 45.100 0.073 0.000 1.074 112 G HN 0.165 nan 8.290 nan 0.000 0.511 113 V N 0.880 120.852 119.914 0.097 0.000 2.385 113 V HA 0.444 4.565 4.120 0.002 0.000 0.269 113 V C 0.910 177.032 176.094 0.045 0.000 1.043 113 V CA -0.130 62.213 62.300 0.073 0.000 0.906 113 V CB 1.297 33.166 31.823 0.076 0.000 0.995 113 V HN 0.397 nan 8.190 nan 0.000 0.467 114 T N 6.823 121.398 114.554 0.035 0.000 2.780 114 T HA 0.366 4.717 4.350 0.002 0.000 0.294 114 T C 0.005 174.714 174.700 0.015 0.000 0.949 114 T CA -0.177 61.937 62.100 0.023 0.000 1.074 114 T CB 0.764 69.645 68.868 0.022 0.000 0.910 114 T HN 0.666 nan 8.240 nan 0.000 0.501 115 M N 6.002 125.610 119.600 0.012 0.000 2.184 115 M HA 0.417 4.898 4.480 0.002 0.000 0.351 115 M C -0.425 175.877 176.300 0.004 0.000 1.395 115 M CA -0.232 55.073 55.300 0.008 0.000 1.117 115 M CB -0.141 32.465 32.600 0.009 0.000 1.708 115 M HN 0.646 nan 8.290 nan 0.000 0.468 116 I N 1.278 121.847 120.570 -0.002 0.000 3.023 116 I HA 0.929 5.100 4.170 0.002 0.000 0.312 116 I C 0.771 176.887 176.117 -0.003 0.000 1.056 116 I CA -0.279 61.018 61.300 -0.006 0.000 1.033 116 I CB 1.670 39.657 38.000 -0.022 0.000 1.233 116 I HN 0.822 nan 8.210 nan 0.000 0.462 117 G N 2.323 111.124 108.800 0.002 0.000 3.329 117 G HA2 -0.141 3.820 3.960 0.002 0.000 0.220 117 G HA3 -0.141 3.820 3.960 0.002 0.000 0.220 117 G C 0.173 175.083 174.900 0.017 0.000 1.358 117 G CA 0.401 45.507 45.100 0.011 0.000 0.856 117 G HN 1.720 nan 8.290 nan 0.000 0.551 118 A N -0.262 122.566 122.820 0.014 0.000 2.515 118 A HA 0.897 5.218 4.320 0.002 0.000 0.298 118 A C 0.072 177.666 177.584 0.017 0.000 1.059 118 A CA 0.971 53.019 52.037 0.017 0.000 0.698 118 A CB 1.289 20.300 19.000 0.018 0.000 1.289 118 A HN 1.928 nan 8.150 nan 0.000 0.404 119 T N -0.887 113.679 114.554 0.020 0.000 2.874 119 T HA 0.567 4.918 4.350 0.002 0.000 0.281 119 T C 1.359 176.076 174.700 0.028 0.000 0.994 119 T CA 0.227 62.340 62.100 0.020 0.000 1.015 119 T CB 1.339 70.218 68.868 0.019 0.000 1.028 119 T HN 1.660 nan 8.240 nan 0.000 0.523 120 A N 0.683 123.518 122.820 0.025 0.000 1.940 120 A HA -0.068 4.253 4.320 0.002 0.000 0.219 120 A C 1.984 179.598 177.584 0.049 0.000 1.176 120 A CA 2.153 54.211 52.037 0.034 0.000 0.631 120 A CB -1.268 17.741 19.000 0.016 0.000 0.814 120 A HN 1.026 nan 8.150 nan 0.000 0.446 121 D N -0.711 119.712 120.400 0.037 0.000 2.194 121 D HA 0.096 4.737 4.640 0.002 0.000 0.204 121 D C 1.968 178.297 176.300 0.049 0.000 0.964 121 D CA 1.248 55.274 54.000 0.043 0.000 0.846 121 D CB -0.151 40.666 40.800 0.028 0.000 0.962 121 D HN 0.319 nan 8.370 nan 0.000 0.490 122 A N 0.411 123.255 122.820 0.040 0.000 1.877 122 A HA -0.117 4.204 4.320 0.002 0.000 0.216 122 A C 2.344 179.950 177.584 0.037 0.000 1.186 122 A CA 1.344 53.403 52.037 0.036 0.000 0.620 122 A CB -0.900 18.117 19.000 0.029 0.000 0.822 122 A HN 0.366 nan 8.150 nan 0.000 0.443 123 I N -0.205 120.391 120.570 0.043 0.000 2.118 123 I HA -0.318 3.853 4.170 0.002 0.000 0.241 123 I C 2.332 178.469 176.117 0.033 0.000 1.070 123 I CA 2.180 63.503 61.300 0.038 0.000 1.327 123 I CB -0.534 37.510 38.000 0.074 0.000 1.034 123 I HN 0.456 nan 8.210 nan 0.000 0.405 124 D N 0.753 121.238 120.400 0.143 0.000 2.144 124 D HA -0.228 4.413 4.640 0.002 0.000 0.199 124 D C 2.209 178.560 176.300 0.084 0.000 0.984 124 D CA 1.265 55.399 54.000 0.223 0.000 0.834 124 D CB 0.019 40.968 40.800 0.248 0.000 0.955 124 D HN 0.101 nan 8.370 nan 0.000 0.465 125 K N -0.516 119.925 120.400 0.068 0.000 2.063 125 K HA -0.154 4.167 4.320 0.002 0.000 0.208 125 K C 1.895 178.554 176.600 0.099 0.000 1.048 125 K CA 1.312 57.641 56.287 0.070 0.000 0.928 125 K CB -0.108 32.426 32.500 0.056 0.000 0.713 125 K HN 0.198 nan 8.250 nan 0.000 0.442 126 A N 0.664 123.509 122.820 0.042 0.000 1.903 126 A HA -0.045 4.276 4.320 0.002 0.000 0.213 126 A C 1.781 179.237 177.584 -0.213 0.000 1.185 126 A CA 0.858 52.894 52.037 -0.002 0.000 0.628 126 A CB -0.139 18.823 19.000 -0.064 0.000 0.830 126 A HN 0.207 nan 8.150 nan 0.000 0.446 127 E N 0.645 120.619 120.200 -0.377 0.000 2.158 127 E HA -0.078 4.273 4.350 0.002 0.000 0.191 127 E C 0.015 176.218 176.600 -0.663 0.000 0.982 127 E CA 0.344 56.256 56.400 -0.815 0.000 0.823 127 E CB -0.258 28.441 29.700 -1.669 0.000 0.766 127 E HN 0.554 nan 8.360 nan 0.000 0.468 128 D N 1.342 121.582 120.400 -0.267 0.000 2.338 128 D HA -0.004 4.637 4.640 0.002 0.000 0.255 128 D C 0.944 177.258 176.300 0.025 0.000 1.237 128 D CA -0.094 53.916 54.000 0.016 0.000 0.883 128 D CB 0.568 41.465 40.800 0.161 0.000 1.087 128 D HN -0.110 nan 8.370 nan 0.000 0.485 129 R N 3.405 123.911 120.500 0.010 0.000 2.159 129 R HA -0.155 4.186 4.340 0.002 0.000 0.237 129 R C 2.022 178.382 176.300 0.101 0.000 1.131 129 R CA 0.653 56.775 56.100 0.037 0.000 0.982 129 R CB -0.165 30.132 30.300 -0.005 0.000 0.868 129 R HN 0.513 nan 8.270 nan 0.000 0.453 130 R N 1.182 121.733 120.500 0.085 0.000 2.093 130 R HA -0.014 4.327 4.340 0.002 0.000 0.224 130 R C 2.147 178.491 176.300 0.073 0.000 1.101 130 R CA 0.892 57.037 56.100 0.074 0.000 0.979 130 R CB 0.045 30.391 30.300 0.077 0.000 0.877 130 R HN 0.102 nan 8.270 nan 0.000 0.441 131 R N -0.530 120.023 120.500 0.088 0.000 2.092 131 R HA -0.127 4.214 4.340 0.002 0.000 0.231 131 R C 2.127 178.466 176.300 0.065 0.000 1.119 131 R CA 1.451 57.592 56.100 0.068 0.000 0.970 131 R CB -0.385 29.962 30.300 0.078 0.000 0.864 131 R HN 0.215 nan 8.270 nan 0.000 0.440 132 F N 2.108 122.036 119.950 -0.038 0.000 2.134 132 F HA -0.215 4.313 4.527 0.002 0.000 0.299 132 F C 1.856 177.631 175.800 -0.043 0.000 1.097 132 F CA 1.851 59.820 58.000 -0.052 0.000 1.264 132 F CB -0.300 38.653 39.000 -0.078 0.000 1.001 132 F HN -0.057 nan 8.300 nan 0.000 0.479 133 D N -0.304 120.111 120.400 0.024 0.000 2.149 133 D HA -0.171 4.470 4.640 0.002 0.000 0.198 133 D C 2.221 178.441 176.300 -0.132 0.000 0.990 133 D CA 1.481 55.445 54.000 -0.060 0.000 0.839 133 D CB -0.138 40.677 40.800 0.026 0.000 0.948 133 D HN 0.196 nan 8.370 nan 0.000 0.460 134 V N 0.459 120.317 119.914 -0.093 0.000 2.358 134 V HA -0.183 3.938 4.120 0.002 0.000 0.246 134 V C 2.488 178.503 176.094 -0.132 0.000 1.047 134 V CA 1.676 63.926 62.300 -0.083 0.000 1.035 134 V CB -0.797 31.003 31.823 -0.039 0.000 0.658 134 V HN 0.304 nan 8.190 nan 0.000 0.452 135 A N -0.413 122.287 122.820 -0.200 0.000 1.933 135 A HA -0.195 4.126 4.320 0.002 0.000 0.218 135 A C 2.221 179.649 177.584 -0.260 0.000 1.175 135 A CA 1.845 53.750 52.037 -0.221 0.000 0.628 135 A CB -0.417 18.431 19.000 -0.253 0.000 0.814 135 A HN 0.405 nan 8.150 nan 0.000 0.444 136 M N -0.299 119.068 119.600 -0.388 0.000 2.086 136 M HA -0.119 4.362 4.480 0.002 0.000 0.261 136 M C 2.082 178.290 176.300 -0.154 0.000 1.067 136 M CA 1.991 57.106 55.300 -0.307 0.000 1.116 136 M CB -1.268 31.113 32.600 -0.366 0.000 1.348 136 M HN 0.546 nan 8.290 nan 0.000 0.407 137 K N 0.548 120.870 120.400 -0.130 0.000 2.097 137 K HA -0.187 4.134 4.320 0.002 0.000 0.206 137 K C 2.152 178.713 176.600 -0.064 0.000 1.049 137 K CA 1.408 57.650 56.287 -0.075 0.000 0.933 137 K CB -0.044 32.419 32.500 -0.062 0.000 0.717 137 K HN 0.174 nan 8.250 nan 0.000 0.442 138 K N 1.028 121.382 120.400 -0.077 0.000 2.097 138 K HA -0.129 4.192 4.320 0.002 0.000 0.206 138 K C 1.725 178.295 176.600 -0.051 0.000 1.049 138 K CA 1.668 57.920 56.287 -0.058 0.000 0.933 138 K CB -0.132 32.331 32.500 -0.061 0.000 0.717 138 K HN 0.416 nan 8.250 nan 0.000 0.442 139 I N -3.307 117.224 120.570 -0.064 0.000 3.861 139 I HA 0.305 4.476 4.170 0.002 0.000 0.329 139 I C 0.698 176.796 176.117 -0.032 0.000 1.321 139 I CA 0.258 61.531 61.300 -0.046 0.000 1.126 139 I CB 0.260 38.231 38.000 -0.049 0.000 1.018 139 I HN 0.177 nan 8.210 nan 0.000 0.407 140 G N 2.069 110.850 108.800 -0.032 0.000 2.160 140 G HA2 -0.243 3.718 3.960 0.002 0.000 0.251 140 G HA3 -0.243 3.718 3.960 0.002 0.000 0.251 140 G C -0.034 174.863 174.900 -0.005 0.000 1.008 140 G CA 0.187 45.277 45.100 -0.017 0.000 0.724 140 G HN 0.444 nan 8.290 nan 0.000 0.514 141 L N 0.004 121.219 121.223 -0.013 0.000 2.325 141 L HA 0.549 4.890 4.340 0.002 0.000 0.279 141 L C 0.722 177.602 176.870 0.017 0.000 1.054 141 L CA -0.782 54.068 54.840 0.017 0.000 0.804 141 L CB 1.550 43.625 42.059 0.026 0.000 1.200 141 L HN 0.352 nan 8.230 nan 0.000 0.436 142 E N 1.828 122.062 120.200 0.056 0.000 2.249 142 E HA 0.329 4.680 4.350 0.002 0.000 0.280 142 E C -0.867 175.771 176.600 0.063 0.000 1.016 142 E CA -0.532 55.902 56.400 0.056 0.000 0.830 142 E CB 1.391 31.138 29.700 0.078 0.000 1.081 142 E HN 0.644 nan 8.360 nan 0.000 0.395 143 T N 0.695 115.268 114.554 0.032 0.000 2.932 143 T HA 0.699 5.050 4.350 0.002 0.000 0.289 143 T C 0.047 174.747 174.700 -0.000 0.000 1.039 143 T CA -0.696 61.420 62.100 0.026 0.000 1.024 143 T CB 1.560 70.441 68.868 0.022 0.000 1.090 143 T HN 0.548 nan 8.240 nan 0.000 0.496 144 A N 1.920 124.721 122.820 -0.032 0.000 2.466 144 A HA 0.419 4.740 4.320 0.002 0.000 0.238 144 A C 0.742 178.297 177.584 -0.049 0.000 1.074 144 A CA -0.499 51.493 52.037 -0.075 0.000 0.774 144 A CB -0.143 18.782 19.000 -0.125 0.000 1.015 144 A HN 1.026 nan 8.150 nan 0.000 0.498 145 R N 0.917 121.384 120.500 -0.054 0.000 2.484 145 R HA 0.287 4.628 4.340 0.002 0.000 0.293 145 R C -0.034 176.236 176.300 -0.050 0.000 1.023 145 R CA 0.978 57.052 56.100 -0.044 0.000 1.037 145 R CB 0.023 30.296 30.300 -0.046 0.000 0.951 145 R HN 0.980 nan 8.270 nan 0.000 0.418 146 S N 2.152 117.829 115.700 -0.038 0.000 2.752 146 S HA 0.825 5.296 4.470 0.002 0.000 0.284 146 S C -0.636 173.946 174.600 -0.031 0.000 1.189 146 S CA -0.538 57.641 58.200 -0.036 0.000 0.835 146 S CB 1.823 65.008 63.200 -0.025 0.000 1.192 146 S HN 0.740 nan 8.310 nan 0.000 0.506 147 G N -0.118 108.666 108.800 -0.028 0.000 2.759 147 G HA2 0.581 4.542 3.960 0.002 0.000 0.297 147 G HA3 0.581 4.542 3.960 0.002 0.000 0.297 147 G C -1.492 173.386 174.900 -0.037 0.000 1.434 147 G CA -0.633 44.450 45.100 -0.029 0.000 0.980 147 G HN 0.603 nan 8.290 nan 0.000 0.531 148 I N 0.849 121.386 120.570 -0.055 0.000 2.577 148 I HA 0.694 4.865 4.170 0.002 0.000 0.300 148 I C 0.465 176.471 176.117 -0.185 0.000 0.990 148 I CA -0.458 60.768 61.300 -0.123 0.000 1.283 148 I CB 1.613 39.540 38.000 -0.122 0.000 1.411 148 I HN 0.696 nan 8.210 nan 0.000 0.515 149 A N 4.645 127.277 122.820 -0.314 0.000 2.488 149 A HA 0.584 4.905 4.320 0.002 0.000 0.298 149 A C -0.809 176.513 177.584 -0.437 0.000 1.044 149 A CA -0.442 51.428 52.037 -0.278 0.000 0.693 149 A CB 0.809 19.764 19.000 -0.076 0.000 1.272 149 A HN 0.857 nan 8.150 nan 0.000 0.402 150 H N 0.344 119.431 119.070 0.028 0.000 2.893 150 H HA 0.301 4.858 4.556 0.002 0.000 0.270 150 H C 0.533 175.874 175.328 0.022 0.000 1.095 150 H CA 0.920 56.981 56.048 0.022 0.000 1.186 150 H CB 1.116 30.889 29.762 0.019 0.000 1.562 150 H HN 0.792 nan 8.280 nan 0.000 0.536 151 T N -3.534 111.073 114.554 0.088 0.000 2.843 151 T HA 0.161 4.512 4.350 0.002 0.000 0.302 151 T C 0.815 175.549 174.700 0.056 0.000 1.232 151 T CA -0.953 61.190 62.100 0.071 0.000 1.009 151 T CB 1.714 70.627 68.868 0.074 0.000 1.254 151 T HN -0.030 nan 8.240 nan 0.000 0.504 152 M N 0.935 120.569 119.600 0.056 0.000 2.149 152 M HA -0.002 4.479 4.480 0.002 0.000 0.261 152 M C 2.075 178.437 176.300 0.104 0.000 1.064 152 M CA 2.132 57.476 55.300 0.073 0.000 1.102 152 M CB -0.699 31.941 32.600 0.065 0.000 1.369 152 M HN 0.882 nan 8.290 nan 0.000 0.408 153 E N -0.424 119.823 120.200 0.079 0.000 2.072 153 E HA -0.210 4.141 4.350 0.002 0.000 0.190 153 E C 1.783 178.424 176.600 0.068 0.000 0.982 153 E CA 1.357 57.800 56.400 0.071 0.000 0.803 153 E CB -0.258 29.474 29.700 0.053 0.000 0.755 153 E HN 0.678 nan 8.360 nan 0.000 0.453 154 E N 0.455 120.692 120.200 0.063 0.000 2.051 154 E HA -0.211 4.140 4.350 0.002 0.000 0.192 154 E C 2.121 178.758 176.600 0.063 0.000 0.991 154 E CA 0.988 57.417 56.400 0.049 0.000 0.799 154 E CB -0.180 29.545 29.700 0.040 0.000 0.748 154 E HN 0.398 nan 8.360 nan 0.000 0.449 155 A N 1.382 124.264 122.820 0.103 0.000 1.873 155 A HA -0.208 4.113 4.320 0.002 0.000 0.218 155 A C 2.222 179.975 177.584 0.282 0.000 1.193 155 A CA 1.314 53.477 52.037 0.210 0.000 0.629 155 A CB -0.848 18.276 19.000 0.207 0.000 0.826 155 A HN 0.169 nan 8.150 nan 0.000 0.447 156 L N -0.919 120.455 121.223 0.252 0.000 2.127 156 L HA -0.231 4.111 4.340 0.002 0.000 0.211 156 L C 3.022 179.859 176.870 -0.055 0.000 1.089 156 L CA 0.981 55.885 54.840 0.106 0.000 0.757 156 L CB -0.416 41.717 42.059 0.124 0.000 0.899 156 L HN 0.482 nan 8.230 nan 0.000 0.434 157 A N -0.607 122.207 122.820 -0.011 0.000 1.897 157 A HA -0.106 4.215 4.320 0.002 0.000 0.215 157 A C 2.287 179.819 177.584 -0.086 0.000 1.181 157 A CA 1.423 53.432 52.037 -0.047 0.000 0.620 157 A CB -0.652 18.339 19.000 -0.015 0.000 0.821 157 A HN 0.175 nan 8.150 nan 0.000 0.443 158 V N 0.145 120.022 119.914 -0.061 0.000 2.295 158 V HA -0.267 3.854 4.120 0.002 0.000 0.246 158 V C 3.058 179.039 176.094 -0.189 0.000 1.049 158 V CA 1.926 64.177 62.300 -0.083 0.000 1.024 158 V CB -1.412 30.397 31.823 -0.024 0.000 0.648 158 V HN 0.597 nan 8.190 nan 0.000 0.447 159 A N 0.272 122.908 122.820 -0.307 0.000 1.917 159 A HA -0.209 4.112 4.320 0.002 0.000 0.219 159 A C 2.473 179.716 177.584 -0.568 0.000 1.182 159 A CA 2.368 54.026 52.037 -0.631 0.000 0.633 159 A CB -0.934 17.309 19.000 -1.261 0.000 0.819 159 A HN 0.628 nan 8.150 nan 0.000 0.448 160 A N -0.145 122.445 122.820 -0.382 0.000 1.927 160 A HA -0.282 4.039 4.320 0.002 0.000 0.220 160 A C 1.855 179.304 177.584 -0.225 0.000 1.185 160 A CA 2.487 54.362 52.037 -0.271 0.000 0.639 160 A CB -0.714 18.190 19.000 -0.161 0.000 0.820 160 A HN 0.630 nan 8.150 nan 0.000 0.451 161 D N -0.913 119.369 120.400 -0.197 0.000 2.162 161 D HA -0.083 4.558 4.640 0.002 0.000 0.203 161 D C 1.753 177.956 176.300 -0.161 0.000 0.967 161 D CA 1.769 55.681 54.000 -0.147 0.000 0.840 161 D CB 0.006 40.741 40.800 -0.109 0.000 0.972 161 D HN 0.401 nan 8.370 nan 0.000 0.482 162 V N -3.084 116.703 119.914 -0.212 0.000 3.471 162 V HA 0.476 4.597 4.120 0.002 0.000 0.258 162 V C 1.158 177.111 176.094 -0.236 0.000 1.192 162 V CA 0.472 62.659 62.300 -0.189 0.000 1.116 162 V CB -0.598 31.132 31.823 -0.155 0.000 0.792 162 V HN 0.316 nan 8.190 nan 0.000 0.459 163 G N 0.286 108.858 108.800 -0.380 0.000 2.860 163 G HA2 -0.207 3.754 3.960 0.002 0.000 0.553 163 G HA3 -0.207 3.754 3.960 0.002 0.000 0.553 163 G C -0.726 173.889 174.900 -0.476 0.000 1.439 163 G CA -0.076 44.760 45.100 -0.441 0.000 0.879 163 G HN 0.541 nan 8.290 nan 0.000 0.545 164 F N 1.318 121.215 119.950 -0.088 0.000 2.425 164 F HA 0.573 5.101 4.527 0.002 0.000 0.331 164 F C -0.976 174.805 175.800 -0.031 0.000 1.085 164 F CA -1.580 56.376 58.000 -0.074 0.000 1.028 164 F CB 1.836 40.812 39.000 -0.040 0.000 1.177 164 F HN 0.451 nan 8.300 nan 0.000 0.487 165 P HA 0.286 nan 4.420 nan 0.000 0.277 165 P C -1.225 176.102 177.300 0.045 0.000 1.240 165 P CA -0.521 62.639 63.100 0.100 0.000 0.798 165 P CB 0.839 32.377 31.700 -0.270 0.000 0.979 166 C N 0.470 119.832 119.300 0.103 0.000 2.707 166 C HA 0.757 5.218 4.460 0.002 0.000 0.313 166 C C -0.333 174.675 174.990 0.030 0.000 1.209 166 C CA -0.999 58.037 59.018 0.029 0.000 1.635 166 C CB 0.165 27.904 27.740 -0.002 0.000 2.206 166 C HN 0.385 nan 8.230 nan 0.000 0.485 167 I N 1.980 122.548 120.570 -0.004 0.000 2.385 167 I HA 0.527 4.698 4.170 0.002 0.000 0.294 167 I C 0.071 176.200 176.117 0.020 0.000 0.988 167 I CA -0.719 60.573 61.300 -0.013 0.000 1.265 167 I CB 1.129 39.100 38.000 -0.048 0.000 1.388 167 I HN 0.581 nan 8.210 nan 0.000 0.480 168 I N 6.608 127.184 120.570 0.009 0.000 2.406 168 I HA 0.493 4.664 4.170 0.002 0.000 0.290 168 I C -0.200 175.900 176.117 -0.028 0.000 0.999 168 I CA -0.623 60.672 61.300 -0.008 0.000 1.124 168 I CB 0.919 38.888 38.000 -0.052 0.000 1.289 168 I HN 0.376 nan 8.210 nan 0.000 0.441 169 R N 6.702 127.183 120.500 -0.031 0.000 2.435 169 R HA 0.426 4.767 4.340 0.002 0.000 0.308 169 R C -2.741 173.536 176.300 -0.038 0.000 0.975 169 R CA -1.829 54.248 56.100 -0.037 0.000 0.867 169 R CB 1.863 32.135 30.300 -0.047 0.000 1.171 169 R HN 0.219 nan 8.270 nan 0.000 0.470 170 P HA 0.072 nan 4.420 nan 0.000 0.274 170 P C -0.347 176.947 177.300 -0.010 0.000 1.231 170 P CA -0.142 62.949 63.100 -0.016 0.000 0.790 170 P CB 0.881 32.577 31.700 -0.007 0.000 0.951 171 S N 1.429 117.147 115.700 0.030 0.000 2.580 171 S HA 0.326 4.797 4.470 0.002 0.000 0.274 171 S C 0.121 174.806 174.600 0.141 0.000 1.329 171 S CA -0.068 58.160 58.200 0.047 0.000 1.036 171 S CB -0.795 62.496 63.200 0.151 0.000 0.919 171 S HN 0.455 nan 8.310 nan 0.000 0.515 172 F N -0.002 119.930 119.950 -0.030 0.000 2.988 172 F HA -0.237 4.291 4.527 0.002 0.000 0.287 172 F C 0.903 176.679 175.800 -0.040 0.000 0.781 172 F CA 0.902 58.882 58.000 -0.035 0.000 1.221 172 F CB -2.020 36.963 39.000 -0.028 0.000 1.392 172 F HN 0.636 nan 8.300 nan 0.000 0.425 173 T N -1.664 112.900 114.554 0.017 0.000 2.901 173 T HA 0.872 5.223 4.350 0.002 0.000 0.293 173 T C -0.228 174.451 174.700 -0.036 0.000 1.084 173 T CA -0.163 61.938 62.100 0.001 0.000 1.008 173 T CB 2.859 71.728 68.868 0.002 0.000 1.170 173 T HN 0.429 nan 8.240 nan 0.000 0.509 174 M N -0.340 119.248 119.600 -0.020 0.000 2.779 174 M HA 0.835 5.316 4.480 0.002 0.000 0.277 174 M C 0.833 177.133 176.300 0.000 0.000 1.284 174 M CA 0.326 55.628 55.300 0.005 0.000 0.801 174 M CB 0.370 32.975 32.600 0.008 0.000 1.712 174 M HN 1.492 nan 8.290 nan 0.000 0.453 175 G N -0.657 108.171 108.800 0.045 0.000 2.187 175 G HA2 0.145 4.106 3.960 0.002 0.000 0.261 175 G HA3 0.145 4.106 3.960 0.002 0.000 0.261 175 G C 1.223 175.915 174.900 -0.346 0.000 1.000 175 G CA 1.079 46.035 45.100 -0.240 0.000 0.718 175 G HN 2.572 nan 8.290 nan 0.000 0.519 176 G N -1.666 107.115 108.800 -0.033 0.000 2.168 176 G HA2 -0.110 3.851 3.960 0.002 0.000 0.263 176 G HA3 -0.110 3.851 3.960 0.002 0.000 0.263 176 G C 0.574 175.442 174.900 -0.055 0.000 0.977 176 G CA 0.829 45.935 45.100 0.010 0.000 0.659 176 G HN 1.824 nan 8.290 nan 0.000 0.533 177 S N 0.254 115.908 115.700 -0.077 0.000 2.596 177 S HA 0.409 4.880 4.470 0.002 0.000 0.298 177 S C 1.689 176.256 174.600 -0.056 0.000 1.255 177 S CA 1.288 59.441 58.200 -0.079 0.000 1.083 177 S CB 0.749 63.908 63.200 -0.069 0.000 0.837 177 S HN 2.112 nan 8.310 nan 0.000 0.499 178 G N 2.548 111.309 108.800 -0.065 0.000 2.199 178 G HA2 -0.182 3.779 3.960 0.002 0.000 0.254 178 G HA3 -0.182 3.779 3.960 0.002 0.000 0.254 178 G C 0.367 175.232 174.900 -0.058 0.000 0.982 178 G CA -0.061 45.005 45.100 -0.058 0.000 0.632 178 G HN 1.089 nan 8.290 nan 0.000 0.529 179 G N -1.102 107.670 108.800 -0.047 0.000 2.753 179 G HA2 0.975 4.936 3.960 0.002 0.000 0.285 179 G HA3 0.975 4.936 3.960 0.002 0.000 0.285 179 G C 0.284 175.165 174.900 -0.032 0.000 1.344 179 G CA 0.229 45.305 45.100 -0.040 0.000 1.050 179 G HN 1.695 nan 8.290 nan 0.000 0.532 180 G N -1.873 106.914 108.800 -0.021 0.000 2.315 180 G HA2 0.402 4.363 3.960 0.002 0.000 0.294 180 G HA3 0.402 4.363 3.960 0.002 0.000 0.294 180 G C -1.749 173.140 174.900 -0.018 0.000 1.300 180 G CA -0.876 44.220 45.100 -0.007 0.000 0.843 180 G HN 0.644 nan 8.290 nan 0.000 0.527 181 I N 1.405 121.958 120.570 -0.028 0.000 2.330 181 I HA 0.558 4.729 4.170 0.002 0.000 0.289 181 I C 0.589 176.592 176.117 -0.189 0.000 1.001 181 I CA -0.679 60.530 61.300 -0.151 0.000 1.193 181 I CB 1.784 39.630 38.000 -0.256 0.000 1.345 181 I HN 0.681 nan 8.210 nan 0.000 0.461 182 A N 5.959 128.710 122.820 -0.115 0.000 2.252 182 A HA 0.411 4.732 4.320 0.002 0.000 0.309 182 A C -0.270 177.192 177.584 -0.203 0.000 1.285 182 A CA -0.206 51.825 52.037 -0.011 0.000 0.900 182 A CB 0.004 19.240 19.000 0.394 0.000 1.157 182 A HN 0.742 nan 8.150 nan 0.000 0.536 183 Y N 1.741 121.974 120.300 -0.112 0.000 2.510 183 Y HA 0.072 4.623 4.550 0.002 0.000 0.273 183 Y C 0.952 176.541 175.900 -0.518 0.000 1.119 183 Y CA 0.900 58.896 58.100 -0.174 0.000 1.286 183 Y CB 0.183 38.590 38.460 -0.089 0.000 1.061 183 Y HN 0.898 nan 8.280 nan 0.000 0.542 184 N N -2.407 115.916 118.700 -0.628 0.000 2.853 184 N HA 0.213 4.954 4.740 0.002 0.000 0.258 184 N C 0.335 175.368 175.510 -0.795 0.000 1.444 184 N CA -1.000 51.529 53.050 -0.868 0.000 0.837 184 N CB 0.636 38.938 38.487 -0.308 0.000 1.489 184 N HN -0.212 nan 8.380 nan 0.000 0.529 185 R N -0.204 120.034 120.500 -0.437 0.000 2.081 185 R HA -0.129 4.212 4.340 0.002 0.000 0.235 185 R C 1.361 177.725 176.300 0.106 0.000 1.131 185 R CA 1.669 57.780 56.100 0.019 0.000 0.960 185 R CB -0.167 30.208 30.300 0.125 0.000 0.856 185 R HN 0.837 nan 8.270 nan 0.000 0.436 186 E N 0.568 120.778 120.200 0.016 0.000 2.051 186 E HA -0.227 4.124 4.350 0.002 0.000 0.192 186 E C 1.590 178.211 176.600 0.034 0.000 0.991 186 E CA 1.536 57.955 56.400 0.032 0.000 0.799 186 E CB 0.025 29.729 29.700 0.006 0.000 0.748 186 E HN 0.463 nan 8.360 nan 0.000 0.449 187 E N -0.130 120.075 120.200 0.008 0.000 2.058 187 E HA -0.203 4.148 4.350 0.002 0.000 0.194 187 E C 1.963 178.589 176.600 0.044 0.000 0.997 187 E CA 1.218 57.629 56.400 0.018 0.000 0.801 187 E CB -0.351 29.360 29.700 0.018 0.000 0.746 187 E HN 0.287 nan 8.360 nan 0.000 0.450 188 F N 2.148 122.070 119.950 -0.046 0.000 2.063 188 F HA -0.277 4.251 4.527 0.002 0.000 0.298 188 F C 2.139 177.967 175.800 0.047 0.000 1.109 188 F CA 1.916 59.944 58.000 0.046 0.000 1.212 188 F CB 0.051 39.157 39.000 0.178 0.000 0.973 188 F HN -0.029 nan 8.300 nan 0.000 0.480 189 E N -0.415 119.821 120.200 0.060 0.000 2.106 189 E HA -0.251 4.100 4.350 0.002 0.000 0.192 189 E C 2.183 178.729 176.600 -0.091 0.000 0.984 189 E CA 1.129 57.515 56.400 -0.023 0.000 0.806 189 E CB -0.375 29.378 29.700 0.089 0.000 0.750 189 E HN 0.576 nan 8.360 nan 0.000 0.458 190 E N 1.080 121.244 120.200 -0.059 0.000 2.058 190 E HA -0.218 4.133 4.350 0.002 0.000 0.194 190 E C 2.079 178.615 176.600 -0.105 0.000 0.997 190 E CA 1.117 57.478 56.400 -0.064 0.000 0.801 190 E CB -0.046 29.633 29.700 -0.035 0.000 0.746 190 E HN 0.242 nan 8.360 nan 0.000 0.450 191 I N 0.473 120.959 120.570 -0.141 0.000 2.353 191 I HA -0.273 3.898 4.170 0.002 0.000 0.248 191 I C 2.675 178.671 176.117 -0.203 0.000 1.119 191 I CA 0.448 61.657 61.300 -0.151 0.000 1.417 191 I CB -0.210 37.700 38.000 -0.149 0.000 1.078 191 I HN 0.278 nan 8.210 nan 0.000 0.421 192 C N 0.757 119.862 119.300 -0.325 0.000 2.429 192 C HA -0.110 4.351 4.460 0.002 0.000 0.277 192 C C 3.211 178.102 174.990 -0.167 0.000 1.262 192 C CA 1.022 59.845 59.018 -0.324 0.000 1.733 192 C CB -1.122 26.303 27.740 -0.525 0.000 2.010 192 C HN 0.593 nan 8.230 nan 0.000 0.483 193 A N 0.262 123.006 122.820 -0.128 0.000 1.933 193 A HA -0.209 4.112 4.320 0.002 0.000 0.218 193 A C 2.242 179.787 177.584 -0.064 0.000 1.175 193 A CA 1.769 53.768 52.037 -0.063 0.000 0.628 193 A CB -0.606 18.374 19.000 -0.034 0.000 0.814 193 A HN 0.666 nan 8.150 nan 0.000 0.444 194 R N -0.634 119.813 120.500 -0.088 0.000 2.073 194 R HA -0.093 4.248 4.340 0.002 0.000 0.234 194 R C 2.242 178.502 176.300 -0.067 0.000 1.134 194 R CA 1.611 57.660 56.100 -0.084 0.000 0.952 194 R CB -0.637 29.609 30.300 -0.091 0.000 0.850 194 R HN 0.441 nan 8.270 nan 0.000 0.433 195 G N 0.719 109.474 108.800 -0.075 0.000 2.403 195 G HA2 -0.180 3.782 3.960 0.002 0.000 0.216 195 G HA3 -0.180 3.782 3.960 0.002 0.000 0.216 195 G C 1.470 176.352 174.900 -0.030 0.000 1.154 195 G CA 0.342 45.409 45.100 -0.055 0.000 0.784 195 G HN 0.216 nan 8.290 nan 0.000 0.538 196 L N 0.224 121.427 121.223 -0.032 0.000 2.042 196 L HA -0.094 4.247 4.340 0.002 0.000 0.210 196 L C 2.485 179.363 176.870 0.014 0.000 1.076 196 L CA 1.500 56.340 54.840 -0.001 0.000 0.749 196 L CB -0.264 41.797 42.059 0.002 0.000 0.893 196 L HN 0.171 nan 8.230 nan 0.000 0.432 197 D N -0.476 119.926 120.400 0.004 0.000 2.224 197 D HA -0.162 4.479 4.640 0.002 0.000 0.205 197 D C 1.940 178.247 176.300 0.012 0.000 0.965 197 D CA 0.605 54.615 54.000 0.016 0.000 0.852 197 D CB 0.246 41.057 40.800 0.018 0.000 0.947 197 D HN 0.082 nan 8.370 nan 0.000 0.494 198 L N -0.233 120.989 121.223 -0.001 0.000 2.209 198 L HA 0.206 4.547 4.340 0.002 0.000 0.207 198 L C 0.729 177.608 176.870 0.015 0.000 1.094 198 L CA 0.474 55.314 54.840 0.000 0.000 0.790 198 L CB -0.448 41.601 42.059 -0.018 0.000 0.932 198 L HN -0.177 nan 8.230 nan 0.000 0.447 199 S N 0.308 116.022 115.700 0.024 0.000 2.575 199 S HA 0.029 4.501 4.470 0.002 0.000 0.295 199 S C -1.373 173.255 174.600 0.047 0.000 1.267 199 S CA -0.846 57.385 58.200 0.052 0.000 1.074 199 S CB 0.467 63.706 63.200 0.065 0.000 0.829 199 S HN 0.131 nan 8.310 nan 0.000 0.497 200 P HA -0.044 nan 4.420 nan 0.000 0.218 200 P C 1.062 178.326 177.300 -0.059 0.000 1.148 200 P CA 1.222 64.307 63.100 -0.025 0.000 0.822 200 P CB -0.137 31.513 31.700 -0.083 0.000 0.784 201 T N -4.664 109.891 114.554 0.002 0.000 3.176 201 T HA 0.175 4.526 4.350 0.002 0.000 0.263 201 T C 0.634 175.378 174.700 0.073 0.000 1.021 201 T CA -0.581 61.522 62.100 0.005 0.000 0.905 201 T CB -0.597 68.302 68.868 0.051 0.000 1.057 201 T HN -0.027 nan 8.240 nan 0.000 0.558 202 K N 1.145 121.587 120.400 0.070 0.000 3.451 202 K HA -0.218 4.103 4.320 0.002 0.000 0.273 202 K C -0.676 176.023 176.600 0.166 0.000 0.944 202 K CA 0.749 57.089 56.287 0.087 0.000 0.734 202 K CB -1.155 31.383 32.500 0.063 0.000 1.437 202 K HN 0.860 nan 8.250 nan 0.000 0.454 203 E N 1.288 121.572 120.200 0.139 0.000 2.343 203 E HA 0.495 4.846 4.350 0.002 0.000 0.278 203 E C -1.107 175.498 176.600 0.008 0.000 0.910 203 E CA -0.863 55.604 56.400 0.112 0.000 0.757 203 E CB 1.164 30.991 29.700 0.211 0.000 1.218 203 E HN 0.284 nan 8.360 nan 0.000 0.435 204 L N 3.036 124.215 121.223 -0.073 0.000 2.323 204 L HA 0.626 4.967 4.340 0.002 0.000 0.265 204 L C -1.050 175.777 176.870 -0.071 0.000 1.012 204 L CA -1.264 53.540 54.840 -0.060 0.000 0.820 204 L CB 1.769 43.789 42.059 -0.065 0.000 1.334 204 L HN 0.476 nan 8.230 nan 0.000 0.427 205 L N 2.159 123.357 121.223 -0.043 0.000 2.356 205 L HA 0.647 4.988 4.340 0.002 0.000 0.277 205 L C -1.157 175.705 176.870 -0.013 0.000 0.996 205 L CA 0.033 54.854 54.840 -0.031 0.000 0.822 205 L CB 1.587 43.632 42.059 -0.023 0.000 1.256 205 L HN 0.377 nan 8.230 nan 0.000 0.413 206 I N 4.178 124.749 120.570 0.002 0.000 2.436 206 I HA 0.442 4.613 4.170 0.002 0.000 0.289 206 I C -0.978 175.138 176.117 -0.002 0.000 1.010 206 I CA -0.260 61.062 61.300 0.036 0.000 1.098 206 I CB 1.759 39.824 38.000 0.110 0.000 1.266 206 I HN 0.614 nan 8.210 nan 0.000 0.434 207 D N 4.107 124.497 120.400 -0.016 0.000 2.419 207 D HA 0.336 4.977 4.640 0.002 0.000 0.234 207 D C -0.622 175.635 176.300 -0.071 0.000 1.014 207 D CA -0.736 53.233 54.000 -0.051 0.000 0.919 207 D CB 1.182 41.944 40.800 -0.064 0.000 1.366 207 D HN 0.563 nan 8.370 nan 0.000 0.490 208 E N -0.414 119.730 120.200 -0.093 0.000 2.392 208 E HA 0.266 4.617 4.350 0.002 0.000 0.256 208 E C -0.384 176.139 176.600 -0.128 0.000 1.145 208 E CA -0.734 55.602 56.400 -0.107 0.000 0.929 208 E CB 0.848 30.487 29.700 -0.102 0.000 0.998 208 E HN 0.201 nan 8.360 nan 0.000 0.442 209 S N 1.264 116.894 115.700 -0.117 0.000 2.537 209 S HA 0.210 4.681 4.470 0.002 0.000 0.275 209 S C 0.233 174.698 174.600 -0.224 0.000 1.272 209 S CA -0.736 57.383 58.200 -0.136 0.000 1.050 209 S CB 0.219 63.372 63.200 -0.078 0.000 0.961 209 S HN 0.579 nan 8.310 nan 0.000 0.496 210 L N 4.537 125.573 121.223 -0.311 0.000 3.229 210 L HA 0.409 4.750 4.340 0.002 0.000 0.286 210 L C -0.133 176.555 176.870 -0.303 0.000 1.239 210 L CA -0.290 54.184 54.840 -0.610 0.000 1.035 210 L CB 0.080 41.630 42.059 -0.849 0.000 1.408 210 L HN 0.627 nan 8.230 nan 0.000 0.593 211 I N 1.369 121.873 120.570 -0.110 0.000 2.906 211 I HA -0.085 4.086 4.170 0.002 0.000 0.302 211 I C 1.534 177.703 176.117 0.086 0.000 1.220 211 I CA 1.574 62.876 61.300 0.003 0.000 1.441 211 I CB 0.311 38.334 38.000 0.038 0.000 1.336 211 I HN 0.479 nan 8.210 nan 0.000 0.565 212 G N 4.448 113.312 108.800 0.106 0.000 2.258 212 G HA2 -0.227 3.734 3.960 0.002 0.000 0.233 212 G HA3 -0.227 3.734 3.960 0.002 0.000 0.233 212 G C -0.061 175.008 174.900 0.281 0.000 1.006 212 G CA -0.554 44.631 45.100 0.141 0.000 0.620 212 G HN 0.500 nan 8.290 nan 0.000 0.511 213 W N 2.150 123.473 121.300 0.039 0.000 2.079 213 W HA 0.603 5.264 4.660 0.002 0.000 0.354 213 W C 1.131 177.683 176.519 0.054 0.000 1.302 213 W CA -0.562 56.824 57.345 0.068 0.000 1.281 213 W CB 0.342 29.849 29.460 0.078 0.000 1.165 213 W HN 0.054 nan 8.180 nan 0.000 0.603 214 K N 1.453 122.028 120.400 0.291 0.000 2.295 214 K HA 0.120 4.441 4.320 0.002 0.000 0.270 214 K C -0.255 176.402 176.600 0.095 0.000 1.011 214 K CA -0.310 56.052 56.287 0.125 0.000 0.953 214 K CB 0.814 33.372 32.500 0.097 0.000 0.956 214 K HN 0.394 nan 8.250 nan 0.000 0.477 215 E N 2.275 122.418 120.200 -0.096 0.000 2.187 215 E HA 0.282 4.633 4.350 0.002 0.000 0.268 215 E C -1.563 174.918 176.600 -0.197 0.000 0.896 215 E CA -0.601 55.782 56.400 -0.029 0.000 0.766 215 E CB 0.815 30.517 29.700 0.004 0.000 1.142 215 E HN 0.373 nan 8.360 nan 0.000 0.408 216 Y N 1.331 121.731 120.300 0.166 0.000 2.576 216 Y HA 0.406 4.957 4.550 0.002 0.000 0.346 216 Y C -0.471 175.546 175.900 0.194 0.000 1.018 216 Y CA -0.789 57.411 58.100 0.167 0.000 1.050 216 Y CB 2.356 40.906 38.460 0.151 0.000 1.280 216 Y HN 0.476 nan 8.280 nan 0.000 0.474 217 E N 1.958 122.361 120.200 0.338 0.000 2.367 217 E HA 0.665 5.016 4.350 0.002 0.000 0.273 217 E C -1.495 175.235 176.600 0.216 0.000 0.903 217 E CA -1.029 55.513 56.400 0.237 0.000 0.764 217 E CB 3.136 32.904 29.700 0.114 0.000 1.252 217 E HN 0.445 nan 8.360 nan 0.000 0.446 218 M N 1.591 121.306 119.600 0.190 0.000 2.327 218 M HA 0.284 4.765 4.480 0.002 0.000 0.298 218 M C -1.160 175.180 176.300 0.066 0.000 1.065 218 M CA -0.776 54.595 55.300 0.118 0.000 0.916 218 M CB 2.213 34.887 32.600 0.124 0.000 1.630 218 M HN 0.342 nan 8.290 nan 0.000 0.442 219 E N 3.355 123.570 120.200 0.024 0.000 2.109 219 E HA 0.447 4.798 4.350 0.002 0.000 0.278 219 E C -1.085 175.487 176.600 -0.046 0.000 0.954 219 E CA -0.294 56.103 56.400 -0.006 0.000 0.779 219 E CB 1.791 31.483 29.700 -0.014 0.000 1.093 219 E HN 0.357 nan 8.360 nan 0.000 0.401 220 V N 2.580 122.478 119.914 -0.027 0.000 2.667 220 V HA 0.510 4.631 4.120 0.002 0.000 0.308 220 V C 0.119 176.193 176.094 -0.033 0.000 1.048 220 V CA -0.924 61.354 62.300 -0.036 0.000 0.928 220 V CB 2.143 33.967 31.823 0.001 0.000 1.004 220 V HN 0.330 nan 8.190 nan 0.000 0.444 221 V N 3.785 123.674 119.914 -0.043 0.000 2.709 221 V HA 0.641 4.762 4.120 0.002 0.000 0.308 221 V C -0.317 175.790 176.094 0.022 0.000 1.062 221 V CA -0.711 61.589 62.300 -0.001 0.000 0.901 221 V CB 2.051 33.879 31.823 0.009 0.000 1.003 221 V HN 0.907 nan 8.190 nan 0.000 0.425 222 R N 2.282 122.806 120.500 0.041 0.000 2.686 222 R HA 0.634 4.975 4.340 0.002 0.000 0.283 222 R C -1.591 174.744 176.300 0.058 0.000 0.978 222 R CA -0.523 55.603 56.100 0.045 0.000 0.897 222 R CB 2.027 32.349 30.300 0.036 0.000 1.192 222 R HN 0.966 nan 8.270 nan 0.000 0.457 223 D N 1.530 121.967 120.400 0.062 0.000 2.392 223 D HA 0.133 4.774 4.640 0.002 0.000 0.246 223 D C 0.399 176.731 176.300 0.054 0.000 1.013 223 D CA -0.855 53.186 54.000 0.068 0.000 0.993 223 D CB 1.133 41.985 40.800 0.087 0.000 1.219 223 D HN 0.569 nan 8.370 nan 0.000 0.538 224 K N -0.107 120.324 120.400 0.052 0.000 2.281 224 K HA -0.136 4.185 4.320 0.002 0.000 0.203 224 K C 0.561 177.184 176.600 0.037 0.000 1.046 224 K CA 0.993 57.304 56.287 0.039 0.000 0.938 224 K CB -0.400 32.120 32.500 0.033 0.000 0.737 224 K HN 0.126 nan 8.250 nan 0.000 0.458 225 N N 1.151 119.878 118.700 0.044 0.000 2.461 225 N HA -0.078 4.663 4.740 0.002 0.000 0.188 225 N C -0.405 175.128 175.510 0.038 0.000 1.134 225 N CA 1.045 54.119 53.050 0.040 0.000 0.878 225 N CB 0.015 38.529 38.487 0.046 0.000 0.972 225 N HN 0.384 nan 8.380 nan 0.000 0.456 226 D N -0.990 119.433 120.400 0.038 0.000 3.070 226 D HA -0.161 4.480 4.640 0.002 0.000 0.210 226 D C -0.935 175.388 176.300 0.037 0.000 1.103 226 D CA 0.369 54.389 54.000 0.034 0.000 0.980 226 D CB -1.488 39.328 40.800 0.027 0.000 1.100 226 D HN 0.134 nan 8.370 nan 0.000 0.423 227 N N 0.434 119.162 118.700 0.046 0.000 2.492 227 N HA 0.278 5.019 4.740 0.002 0.000 0.262 227 N C -0.348 175.190 175.510 0.047 0.000 1.202 227 N CA 0.300 53.381 53.050 0.052 0.000 0.926 227 N CB 1.207 39.734 38.487 0.067 0.000 1.078 227 N HN 0.327 nan 8.380 nan 0.000 0.454 228 C N 3.737 123.060 119.300 0.039 0.000 2.608 228 C HA 0.721 5.182 4.460 0.002 0.000 0.325 228 C C -0.555 174.441 174.990 0.010 0.000 1.147 228 C CA -0.739 58.294 59.018 0.025 0.000 1.359 228 C CB -0.463 27.289 27.740 0.021 0.000 1.912 228 C HN 0.735 nan 8.230 nan 0.000 0.466 229 I N 3.405 123.965 120.570 -0.018 0.000 2.828 229 I HA 0.687 4.858 4.170 0.002 0.000 0.302 229 I C -1.193 174.861 176.117 -0.103 0.000 1.101 229 I CA -0.854 60.408 61.300 -0.063 0.000 1.031 229 I CB 1.700 39.638 38.000 -0.103 0.000 1.231 229 I HN 0.270 nan 8.210 nan 0.000 0.427 230 I N 4.888 125.394 120.570 -0.108 0.000 2.304 230 I HA 0.182 4.353 4.170 0.002 0.000 0.291 230 I C 1.055 177.052 176.117 -0.201 0.000 1.018 230 I CA -0.387 60.850 61.300 -0.106 0.000 1.260 230 I CB 1.411 39.391 38.000 -0.033 0.000 1.390 230 I HN 0.588 nan 8.210 nan 0.000 0.475 231 V N 5.206 124.960 119.914 -0.267 0.000 2.488 231 V HA -0.066 4.055 4.120 0.002 0.000 0.246 231 V C 0.755 176.719 176.094 -0.216 0.000 1.046 231 V CA 1.085 63.133 62.300 -0.420 0.000 1.053 231 V CB 0.245 31.726 31.823 -0.569 0.000 0.679 231 V HN 0.883 nan 8.190 nan 0.000 0.458 232 C N -0.322 118.921 119.300 -0.096 0.000 3.283 232 C HA 0.553 5.014 4.460 0.002 0.000 0.359 232 C C -0.368 174.647 174.990 0.041 0.000 1.160 232 C CA -0.509 58.501 59.018 -0.012 0.000 1.232 232 C CB 1.227 28.968 27.740 0.002 0.000 1.571 232 C HN 0.479 nan 8.230 nan 0.000 0.522 233 S N 3.794 119.551 115.700 0.096 0.000 2.537 233 S HA 0.897 5.368 4.470 0.002 0.000 0.301 233 S C -1.019 173.674 174.600 0.155 0.000 1.092 233 S CA -0.604 57.676 58.200 0.135 0.000 1.048 233 S CB 1.331 64.670 63.200 0.232 0.000 1.053 233 S HN 0.692 nan 8.310 nan 0.000 0.501 234 I N 1.253 121.936 120.570 0.189 0.000 2.498 234 I HA 0.425 4.596 4.170 0.002 0.000 0.290 234 I C -0.388 175.879 176.117 0.250 0.000 1.032 234 I CA -0.423 60.988 61.300 0.184 0.000 1.073 234 I CB 2.172 40.248 38.000 0.127 0.000 1.251 234 I HN 0.786 nan 8.210 nan 0.000 0.426 235 E N 6.347 126.671 120.200 0.208 0.000 2.133 235 E HA 0.303 4.654 4.350 0.002 0.000 0.274 235 E C -0.825 175.792 176.600 0.029 0.000 0.930 235 E CA -0.584 55.860 56.400 0.074 0.000 0.770 235 E CB 0.966 30.796 29.700 0.217 0.000 1.104 235 E HN 0.541 nan 8.360 nan 0.000 0.403 236 N N 4.302 122.946 118.700 -0.093 0.000 2.497 236 N HA 0.024 4.765 4.740 0.002 0.000 0.268 236 N C 0.318 175.812 175.510 -0.026 0.000 1.171 236 N CA -0.070 52.965 53.050 -0.024 0.000 0.948 236 N CB 0.651 39.116 38.487 -0.037 0.000 1.069 236 N HN 0.553 nan 8.380 nan 0.000 0.460 237 F N 2.392 122.190 119.950 -0.253 0.000 2.128 237 F HA -0.003 4.525 4.527 0.002 0.000 0.295 237 F C 0.578 176.242 175.800 -0.227 0.000 1.100 237 F CA 0.826 58.514 58.000 -0.521 0.000 1.260 237 F CB 0.282 38.935 39.000 -0.578 0.000 1.009 237 F HN 0.382 nan 8.300 nan 0.000 0.476 238 D N 1.602 122.035 120.400 0.055 0.000 2.304 238 D HA 0.312 4.953 4.640 0.002 0.000 0.250 238 D C 0.353 176.641 176.300 -0.020 0.000 1.107 238 D CA 0.340 54.346 54.000 0.009 0.000 0.885 238 D CB 1.490 42.373 40.800 0.138 0.000 1.192 238 D HN 0.320 nan 8.370 nan 0.000 0.436 239 A N 3.018 125.817 122.820 -0.035 0.000 2.262 239 A HA 0.234 4.555 4.320 0.002 0.000 0.273 239 A C 0.718 178.320 177.584 0.029 0.000 1.202 239 A CA -0.453 51.585 52.037 0.002 0.000 0.811 239 A CB 0.229 19.236 19.000 0.012 0.000 1.159 239 A HN 0.523 nan 8.150 nan 0.000 0.505 240 M N -0.145 119.490 119.600 0.058 0.000 2.251 240 M HA 0.261 4.742 4.480 0.002 0.000 0.343 240 M C 1.375 177.691 176.300 0.026 0.000 1.245 240 M CA 1.903 57.227 55.300 0.039 0.000 1.061 240 M CB -0.273 32.359 32.600 0.053 0.000 1.723 240 M HN 1.469 nan 8.290 nan 0.000 0.449 241 G N 3.642 112.452 108.800 0.016 0.000 2.253 241 G HA2 -0.165 3.796 3.960 0.002 0.000 0.209 241 G HA3 -0.165 3.796 3.960 0.002 0.000 0.209 241 G C 0.024 174.965 174.900 0.069 0.000 0.997 241 G CA -0.557 44.563 45.100 0.035 0.000 0.640 241 G HN 0.569 nan 8.290 nan 0.000 0.496 242 I N 2.258 122.872 120.570 0.074 0.000 2.382 242 I HA 0.326 4.497 4.170 0.002 0.000 0.286 242 I C 0.598 176.789 176.117 0.124 0.000 1.002 242 I CA -1.087 60.284 61.300 0.119 0.000 1.135 242 I CB 1.346 39.423 38.000 0.127 0.000 1.288 242 I HN 0.148 nan 8.210 nan 0.000 0.448 243 H N 5.208 124.321 119.070 0.071 0.000 3.115 243 H HA -0.082 4.475 4.556 0.002 0.000 0.324 243 H C 1.231 176.595 175.328 0.060 0.000 1.007 243 H CA 1.323 57.402 56.048 0.053 0.000 1.385 243 H CB 1.223 31.016 29.762 0.051 0.000 1.351 243 H HN 0.889 nan 8.280 nan 0.000 0.592 244 T N 0.973 115.412 114.554 -0.193 0.000 2.685 244 T HA -0.195 4.156 4.350 0.002 0.000 0.268 244 T C 2.102 176.904 174.700 0.170 0.000 1.034 244 T CA 1.382 63.471 62.100 -0.018 0.000 1.149 244 T CB -0.744 68.063 68.868 -0.102 0.000 0.860 244 T HN 0.637 nan 8.240 nan 0.000 0.449 245 G N 0.597 109.671 108.800 0.456 0.000 2.534 245 G HA2 -0.004 3.957 3.960 0.002 0.000 0.217 245 G HA3 -0.004 3.957 3.960 0.002 0.000 0.217 245 G C 0.993 175.978 174.900 0.142 0.000 1.128 245 G CA 0.590 45.841 45.100 0.253 0.000 0.784 245 G HN 0.506 nan 8.290 nan 0.000 0.542 246 D N -0.321 120.222 120.400 0.237 0.000 2.395 246 D HA 0.254 4.895 4.640 0.002 0.000 0.213 246 D C 0.533 177.018 176.300 0.308 0.000 1.110 246 D CA 0.031 54.197 54.000 0.276 0.000 0.835 246 D CB 0.706 41.738 40.800 0.387 0.000 0.965 246 D HN 0.050 nan 8.370 nan 0.000 0.505 247 S N -0.207 115.615 115.700 0.203 0.000 2.638 247 S HA 0.493 4.964 4.470 0.002 0.000 0.298 247 S C 0.269 174.937 174.600 0.112 0.000 1.111 247 S CA -0.646 57.658 58.200 0.172 0.000 1.027 247 S CB 1.649 64.924 63.200 0.125 0.000 1.064 247 S HN 0.032 nan 8.310 nan 0.000 0.525 248 I N 2.690 123.321 120.570 0.101 0.000 2.441 248 I HA 0.282 4.453 4.170 0.002 0.000 0.287 248 I C 0.585 176.717 176.117 0.026 0.000 1.049 248 I CA 0.108 61.392 61.300 -0.025 0.000 1.381 248 I CB 0.965 38.782 38.000 -0.305 0.000 1.409 248 I HN 0.657 nan 8.210 nan 0.000 0.523 249 T N 3.711 118.267 114.554 0.004 0.000 2.896 249 T HA 0.782 5.133 4.350 0.002 0.000 0.297 249 T C -0.561 174.174 174.700 0.058 0.000 1.108 249 T CA -0.764 61.361 62.100 0.042 0.000 1.004 249 T CB 1.883 70.782 68.868 0.051 0.000 1.159 249 T HN 0.445 nan 8.240 nan 0.000 0.499 250 V N -1.615 118.370 119.914 0.118 0.000 3.102 250 V HA 1.046 5.167 4.120 0.002 0.000 0.312 250 V C -0.559 175.622 176.094 0.145 0.000 1.135 250 V CA -1.188 61.201 62.300 0.149 0.000 1.022 250 V CB 1.243 33.221 31.823 0.257 0.000 1.056 250 V HN 1.606 nan 8.190 nan 0.000 0.436 251 A N 3.098 125.990 122.820 0.121 0.000 2.386 251 A HA 1.049 5.370 4.320 0.002 0.000 0.311 251 A C -2.888 174.736 177.584 0.067 0.000 1.068 251 A CA -1.811 50.283 52.037 0.096 0.000 0.743 251 A CB 1.951 20.995 19.000 0.073 0.000 1.258 251 A HN 0.810 nan 8.150 nan 0.000 0.429 252 P HA 0.499 nan 4.420 nan 0.000 0.306 252 P C 0.116 177.472 177.300 0.094 0.000 1.309 252 P CA -0.212 62.920 63.100 0.053 0.000 0.759 252 P CB 0.679 32.372 31.700 -0.011 0.000 1.314 253 A N 0.300 123.213 122.820 0.154 0.000 2.547 253 A HA 0.039 4.361 4.320 0.002 0.000 0.233 253 A C 1.093 178.687 177.584 0.015 0.000 1.067 253 A CA 0.476 52.636 52.037 0.206 0.000 0.763 253 A CB -0.391 18.770 19.000 0.268 0.000 1.007 253 A HN 0.491 nan 8.150 nan 0.000 0.506 254 Q N -0.127 119.624 119.800 -0.081 0.000 2.471 254 Q HA 0.031 4.372 4.340 0.002 0.000 0.259 254 Q C 1.215 176.893 176.000 -0.536 0.000 0.850 254 Q CA 1.551 57.070 55.803 -0.474 0.000 0.981 254 Q CB 0.002 28.123 28.738 -1.028 0.000 1.180 254 Q HN 0.989 nan 8.270 nan 0.000 0.571 255 T N -1.393 112.981 114.554 -0.300 0.000 3.243 255 T HA 0.522 4.873 4.350 0.002 0.000 0.264 255 T C 0.357 175.006 174.700 -0.084 0.000 1.000 255 T CA -0.141 61.821 62.100 -0.229 0.000 0.901 255 T CB -0.425 68.353 68.868 -0.150 0.000 1.083 255 T HN -0.103 nan 8.240 nan 0.000 0.559 256 L N 2.483 123.651 121.223 -0.091 0.000 2.329 256 L HA 0.533 4.874 4.340 0.002 0.000 0.279 256 L C 0.775 177.591 176.870 -0.090 0.000 1.014 256 L CA -1.095 53.685 54.840 -0.099 0.000 0.814 256 L CB 1.955 43.916 42.059 -0.163 0.000 1.257 256 L HN 0.286 nan 8.230 nan 0.000 0.424 257 T N -2.757 111.748 114.554 -0.081 0.000 2.813 257 T HA 0.004 4.355 4.350 0.002 0.000 0.297 257 T C 0.736 175.403 174.700 -0.055 0.000 1.036 257 T CA -0.444 61.612 62.100 -0.073 0.000 1.044 257 T CB 1.251 70.081 68.868 -0.063 0.000 0.993 257 T HN 0.683 nan 8.240 nan 0.000 0.535 258 D N 0.393 120.755 120.400 -0.063 0.000 2.123 258 D HA -0.131 4.510 4.640 0.002 0.000 0.196 258 D C 1.985 178.281 176.300 -0.006 0.000 0.992 258 D CA 1.475 55.446 54.000 -0.049 0.000 0.833 258 D CB -0.084 40.675 40.800 -0.069 0.000 0.954 258 D HN 0.654 nan 8.370 nan 0.000 0.455 259 K N -0.020 120.362 120.400 -0.029 0.000 2.044 259 K HA -0.197 4.124 4.320 0.002 0.000 0.210 259 K C 2.197 178.770 176.600 -0.046 0.000 1.049 259 K CA 1.533 57.800 56.287 -0.033 0.000 0.927 259 K CB -0.131 32.346 32.500 -0.039 0.000 0.713 259 K HN 0.346 nan 8.250 nan 0.000 0.443 260 E N -0.395 119.768 120.200 -0.062 0.000 2.107 260 E HA -0.192 4.159 4.350 0.002 0.000 0.191 260 E C 1.862 178.376 176.600 -0.143 0.000 0.982 260 E CA 0.878 57.210 56.400 -0.113 0.000 0.809 260 E CB -0.129 29.491 29.700 -0.133 0.000 0.756 260 E HN 0.313 nan 8.360 nan 0.000 0.459 261 Y N 1.938 122.110 120.300 -0.214 0.000 2.181 261 Y HA -0.254 4.297 4.550 0.002 0.000 0.288 261 Y C 2.278 178.060 175.900 -0.197 0.000 1.146 261 Y CA 1.494 59.454 58.100 -0.233 0.000 1.164 261 Y CB 0.141 38.488 38.460 -0.189 0.000 0.982 261 Y HN -0.045 nan 8.280 nan 0.000 0.515 262 Q N 0.352 120.182 119.800 0.050 0.000 2.084 262 Q HA -0.169 4.172 4.340 0.002 0.000 0.202 262 Q C 2.457 178.389 176.000 -0.113 0.000 0.978 262 Q CA 1.970 57.770 55.803 -0.004 0.000 0.844 262 Q CB -0.613 28.136 28.738 0.018 0.000 0.898 262 Q HN 0.618 nan 8.270 nan 0.000 0.426 263 I N 0.364 120.855 120.570 -0.132 0.000 2.208 263 I HA -0.293 3.878 4.170 0.002 0.000 0.245 263 I C 2.538 178.504 176.117 -0.252 0.000 1.097 263 I CA 1.202 62.411 61.300 -0.152 0.000 1.363 263 I CB -0.280 37.639 38.000 -0.135 0.000 1.051 263 I HN 0.213 nan 8.210 nan 0.000 0.413 264 M N 0.522 119.871 119.600 -0.419 0.000 2.175 264 M HA -0.214 4.267 4.480 0.002 0.000 0.264 264 M C 2.518 178.482 176.300 -0.561 0.000 1.063 264 M CA 1.583 56.459 55.300 -0.707 0.000 1.119 264 M CB -0.128 31.911 32.600 -0.934 0.000 1.377 264 M HN 0.071 nan 8.290 nan 0.000 0.415 265 R N 0.275 120.496 120.500 -0.466 0.000 2.073 265 R HA -0.163 4.178 4.340 0.002 0.000 0.234 265 R C 1.602 177.821 176.300 -0.135 0.000 1.134 265 R CA 2.460 58.383 56.100 -0.295 0.000 0.952 265 R CB -0.499 29.677 30.300 -0.208 0.000 0.850 265 R HN 0.561 nan 8.270 nan 0.000 0.433 266 N N -0.054 118.578 118.700 -0.114 0.000 2.069 266 N HA -0.179 4.562 4.740 0.002 0.000 0.191 266 N C 1.854 177.356 175.510 -0.014 0.000 1.031 266 N CA 1.155 54.175 53.050 -0.051 0.000 0.852 266 N CB -0.197 38.263 38.487 -0.045 0.000 1.018 266 N HN 0.325 nan 8.380 nan 0.000 0.423 267 A N 0.776 123.587 122.820 -0.016 0.000 1.902 267 A HA -0.137 4.184 4.320 0.002 0.000 0.217 267 A C 2.362 180.053 177.584 0.179 0.000 1.181 267 A CA 1.509 53.601 52.037 0.092 0.000 0.623 267 A CB -0.682 18.413 19.000 0.158 0.000 0.818 267 A HN 0.185 nan 8.150 nan 0.000 0.443 268 S N -0.528 115.290 115.700 0.197 0.000 2.365 268 S HA -0.227 4.244 4.470 0.002 0.000 0.225 268 S C 2.047 176.711 174.600 0.107 0.000 1.039 268 S CA 1.983 60.321 58.200 0.230 0.000 1.033 268 S CB -0.403 62.893 63.200 0.160 0.000 0.887 268 S HN 0.595 nan 8.310 nan 0.000 0.447 269 M N 0.768 120.401 119.600 0.056 0.000 2.132 269 M HA -0.089 4.392 4.480 0.002 0.000 0.263 269 M C 2.496 178.818 176.300 0.037 0.000 1.065 269 M CA 1.390 56.711 55.300 0.035 0.000 1.122 269 M CB -0.533 32.077 32.600 0.016 0.000 1.365 269 M HN 0.400 nan 8.290 nan 0.000 0.411 270 A N -0.092 122.750 122.820 0.037 0.000 1.917 270 A HA -0.140 4.181 4.320 0.002 0.000 0.219 270 A C 2.200 179.798 177.584 0.024 0.000 1.182 270 A CA 1.850 53.903 52.037 0.025 0.000 0.633 270 A CB -1.096 17.917 19.000 0.022 0.000 0.819 270 A HN 0.321 nan 8.150 nan 0.000 0.448 271 V N -0.561 119.382 119.914 0.048 0.000 2.295 271 V HA -0.253 3.868 4.120 0.002 0.000 0.246 271 V C 2.518 178.641 176.094 0.048 0.000 1.049 271 V CA 2.029 64.356 62.300 0.046 0.000 1.024 271 V CB -0.783 31.094 31.823 0.089 0.000 0.648 271 V HN 0.499 nan 8.190 nan 0.000 0.447 272 L N -0.514 120.739 121.223 0.049 0.000 2.046 272 L HA -0.137 4.204 4.340 0.002 0.000 0.208 272 L C 2.600 179.488 176.870 0.030 0.000 1.077 272 L CA 1.880 56.745 54.840 0.041 0.000 0.747 272 L CB -0.690 41.391 42.059 0.036 0.000 0.896 272 L HN 0.194 nan 8.230 nan 0.000 0.432 273 R N -0.799 119.715 120.500 0.023 0.000 2.073 273 R HA -0.221 4.120 4.340 0.002 0.000 0.234 273 R C 2.253 178.558 176.300 0.009 0.000 1.134 273 R CA 1.546 57.656 56.100 0.016 0.000 0.952 273 R CB -0.294 30.014 30.300 0.013 0.000 0.850 273 R HN 0.259 nan 8.270 nan 0.000 0.433 274 E N 0.770 120.970 120.200 0.000 0.000 2.077 274 E HA -0.151 4.200 4.350 0.002 0.000 0.193 274 E C 1.656 178.252 176.600 -0.008 0.000 0.989 274 E CA 1.198 57.589 56.400 -0.016 0.000 0.800 274 E CB -0.044 29.628 29.700 -0.045 0.000 0.746 274 E HN 0.111 nan 8.360 nan 0.000 0.452 275 I N -0.139 120.438 120.570 0.012 0.000 2.394 275 I HA 0.046 4.217 4.170 0.002 0.000 0.251 275 I C 1.760 177.893 176.117 0.027 0.000 1.136 275 I CA 1.579 62.899 61.300 0.033 0.000 1.425 275 I CB -1.139 36.906 38.000 0.074 0.000 1.079 275 I HN 0.425 nan 8.210 nan 0.000 0.425 276 G N 0.331 109.145 108.800 0.023 0.000 2.141 276 G HA2 -0.163 3.798 3.960 0.002 0.000 0.164 276 G HA3 -0.163 3.798 3.960 0.002 0.000 0.164 276 G C 0.148 175.063 174.900 0.024 0.000 1.009 276 G CA -0.023 45.090 45.100 0.021 0.000 0.677 276 G HN 0.119 nan 8.290 nan 0.000 0.508 277 V N 0.586 120.517 119.914 0.027 0.000 2.405 277 V HA 0.384 4.505 4.120 0.002 0.000 0.264 277 V C 1.151 177.262 176.094 0.028 0.000 1.048 277 V CA 0.760 63.076 62.300 0.028 0.000 0.966 277 V CB 1.268 33.109 31.823 0.029 0.000 1.015 277 V HN 0.474 nan 8.190 nan 0.000 0.477 278 E N 2.286 122.503 120.200 0.028 0.000 2.465 278 E HA 0.074 4.425 4.350 0.002 0.000 0.209 278 E C 0.555 177.176 176.600 0.036 0.000 0.951 278 E CA 0.505 56.923 56.400 0.030 0.000 0.997 278 E CB 0.856 30.572 29.700 0.026 0.000 1.025 278 E HN 0.846 nan 8.360 nan 0.000 0.500 279 T N -1.632 112.944 114.554 0.037 0.000 3.631 279 T HA 0.654 5.005 4.350 0.002 0.000 0.256 279 T C -0.062 174.666 174.700 0.047 0.000 1.187 279 T CA -0.307 61.820 62.100 0.045 0.000 1.667 279 T CB 0.905 69.796 68.868 0.038 0.000 0.804 279 T HN 0.145 nan 8.240 nan 0.000 0.639 280 G N -0.166 108.665 108.800 0.052 0.000 2.317 280 G HA2 0.604 4.565 3.960 0.002 0.000 0.293 280 G HA3 0.604 4.565 3.960 0.002 0.000 0.293 280 G C -0.571 174.360 174.900 0.052 0.000 1.287 280 G CA -0.193 44.940 45.100 0.055 0.000 0.850 280 G HN 0.741 nan 8.290 nan 0.000 0.515 281 G N -1.148 107.684 108.800 0.053 0.000 2.509 281 G HA2 0.766 4.727 3.960 0.002 0.000 0.328 281 G HA3 0.766 4.727 3.960 0.002 0.000 0.328 281 G C -0.544 174.377 174.900 0.035 0.000 1.194 281 G CA 0.216 45.341 45.100 0.041 0.000 0.967 281 G HN 1.369 nan 8.290 nan 0.000 0.488 282 S N -0.874 114.841 115.700 0.025 0.000 2.570 282 S HA 0.373 4.844 4.470 0.002 0.000 0.270 282 S C -0.990 173.619 174.600 0.014 0.000 1.149 282 S CA -0.950 57.261 58.200 0.020 0.000 0.837 282 S CB 1.896 65.103 63.200 0.013 0.000 1.124 282 S HN 0.758 nan 8.310 nan 0.000 0.465 283 N N 1.280 119.983 118.700 0.004 0.000 2.419 283 N HA 0.503 5.244 4.740 0.002 0.000 0.277 283 N C -1.497 173.986 175.510 -0.044 0.000 1.006 283 N CA -0.202 52.846 53.050 -0.003 0.000 0.923 283 N CB 1.068 39.557 38.487 0.004 0.000 1.140 283 N HN 0.362 nan 8.380 nan 0.000 0.488 284 V N 3.195 123.085 119.914 -0.041 0.000 2.495 284 V HA 0.332 4.453 4.120 0.002 0.000 0.298 284 V C -0.185 175.752 176.094 -0.262 0.000 1.031 284 V CA -0.747 61.456 62.300 -0.161 0.000 0.871 284 V CB 1.662 33.414 31.823 -0.118 0.000 0.988 284 V HN 0.660 nan 8.190 nan 0.000 0.432 285 Q N 2.964 122.510 119.800 -0.423 0.000 2.274 285 Q HA 0.742 5.083 4.340 0.002 0.000 0.260 285 Q C -1.607 174.053 176.000 -0.567 0.000 0.974 285 Q CA -0.330 55.284 55.803 -0.314 0.000 0.876 285 Q CB 2.474 31.092 28.738 -0.200 0.000 1.297 285 Q HN 0.665 nan 8.270 nan 0.000 0.446 286 F N -0.097 119.907 119.950 0.091 0.000 2.629 286 F HA 0.782 5.310 4.527 0.002 0.000 0.316 286 F C -0.411 175.501 175.800 0.186 0.000 1.081 286 F CA -1.124 56.955 58.000 0.131 0.000 0.954 286 F CB 1.708 40.787 39.000 0.132 0.000 1.337 286 F HN 0.490 nan 8.300 nan 0.000 0.474 287 A N 0.975 124.060 122.820 0.442 0.000 2.371 287 A HA 0.849 5.170 4.320 0.002 0.000 0.311 287 A C -1.745 176.194 177.584 0.593 0.000 1.068 287 A CA -0.711 51.602 52.037 0.459 0.000 0.744 287 A CB 1.474 20.671 19.000 0.330 0.000 1.239 287 A HN 0.531 nan 8.150 nan 0.000 0.435 288 V N 2.754 123.005 119.914 0.562 0.000 2.588 288 V HA 0.328 4.449 4.120 0.002 0.000 0.304 288 V C -0.408 175.690 176.094 0.006 0.000 1.042 288 V CA -0.959 61.533 62.300 0.320 0.000 0.877 288 V CB 1.999 33.996 31.823 0.289 0.000 0.996 288 V HN 0.911 nan 8.190 nan 0.000 0.425 289 N N 6.871 125.209 118.700 -0.602 0.000 2.411 289 N HA 0.253 4.994 4.740 0.002 0.000 0.259 289 N C -1.491 173.752 175.510 -0.444 0.000 1.103 289 N CA -1.887 50.494 53.050 -1.115 0.000 0.954 289 N CB 1.962 39.618 38.487 -1.385 0.000 1.085 289 N HN 0.299 nan 8.380 nan 0.000 0.485 290 P HA -0.103 nan 4.420 nan 0.000 0.220 290 P C 0.550 177.779 177.300 -0.117 0.000 1.148 290 P CA 1.268 64.310 63.100 -0.096 0.000 0.803 290 P CB 0.447 32.158 31.700 0.018 0.000 0.782 291 K N -0.168 120.131 120.400 -0.169 0.000 2.288 291 K HA -0.064 4.257 4.320 0.002 0.000 0.201 291 K C 0.744 177.270 176.600 -0.124 0.000 1.048 291 K CA 1.452 57.664 56.287 -0.126 0.000 0.956 291 K CB -0.219 32.214 32.500 -0.113 0.000 0.746 291 K HN 0.312 nan 8.250 nan 0.000 0.461 292 N N -2.646 115.955 118.700 -0.165 0.000 2.039 292 N HA 0.089 4.830 4.740 0.002 0.000 0.228 292 N C 0.571 176.009 175.510 -0.120 0.000 1.369 292 N CA 0.285 53.261 53.050 -0.123 0.000 0.806 292 N CB 0.741 39.161 38.487 -0.112 0.000 1.190 292 N HN 0.056 nan 8.380 nan 0.000 0.506 293 G N 1.054 109.771 108.800 -0.140 0.000 2.184 293 G HA2 -0.409 3.552 3.960 0.002 0.000 0.264 293 G HA3 -0.409 3.552 3.960 0.002 0.000 0.264 293 G C 0.050 174.892 174.900 -0.097 0.000 0.975 293 G CA 0.271 45.307 45.100 -0.107 0.000 0.642 293 G HN 0.653 nan 8.290 nan 0.000 0.536 294 R N 0.183 120.602 120.500 -0.136 0.000 2.473 294 R HA 0.310 4.651 4.340 0.002 0.000 0.315 294 R C 0.113 176.444 176.300 0.053 0.000 0.972 294 R CA -0.323 55.742 56.100 -0.059 0.000 1.047 294 R CB -0.060 30.204 30.300 -0.061 0.000 0.932 294 R HN 0.348 nan 8.270 nan 0.000 0.411 295 L N 6.919 128.208 121.223 0.110 0.000 2.276 295 L HA 0.427 4.768 4.340 0.002 0.000 0.286 295 L C -0.795 176.245 176.870 0.283 0.000 1.061 295 L CA -0.022 54.927 54.840 0.181 0.000 0.807 295 L CB 1.041 43.134 42.059 0.057 0.000 1.177 295 L HN 0.589 nan 8.230 nan 0.000 0.429 296 I N 5.580 126.378 120.570 0.381 0.000 2.498 296 I HA 0.325 4.496 4.170 0.002 0.000 0.290 296 I C -0.678 175.612 176.117 0.289 0.000 1.032 296 I CA -1.054 60.425 61.300 0.298 0.000 1.073 296 I CB 2.149 40.290 38.000 0.235 0.000 1.251 296 I HN 0.239 nan 8.210 nan 0.000 0.426 297 V N 6.434 126.468 119.914 0.201 0.000 2.530 297 V HA 0.170 4.291 4.120 0.002 0.000 0.282 297 V C 1.006 177.125 176.094 0.042 0.000 1.048 297 V CA -0.094 62.241 62.300 0.058 0.000 0.997 297 V CB 1.470 33.334 31.823 0.068 0.000 0.987 297 V HN 0.582 nan 8.190 nan 0.000 0.477 298 I N 2.685 123.206 120.570 -0.081 0.000 2.899 298 I HA 0.246 4.417 4.170 0.002 0.000 0.257 298 I C 0.904 176.912 176.117 -0.182 0.000 1.115 298 I CA 0.814 62.065 61.300 -0.081 0.000 1.451 298 I CB 0.026 37.959 38.000 -0.111 0.000 1.251 298 I HN 0.968 nan 8.210 nan 0.000 0.456 299 E N 1.151 121.147 120.200 -0.339 0.000 2.432 299 E HA 0.509 4.860 4.350 0.002 0.000 0.279 299 E C -0.898 175.357 176.600 -0.575 0.000 1.099 299 E CA -0.916 55.061 56.400 -0.705 0.000 0.859 299 E CB 1.821 31.195 29.700 -0.543 0.000 1.402 299 E HN 0.029 nan 8.360 nan 0.000 0.451 300 M N 0.868 120.057 119.600 -0.684 0.000 2.378 300 M HA 0.577 5.058 4.480 0.002 0.000 0.289 300 M C -2.113 174.025 176.300 -0.271 0.000 1.136 300 M CA -0.440 54.665 55.300 -0.325 0.000 0.917 300 M CB 2.381 34.926 32.600 -0.091 0.000 1.669 300 M HN 0.384 nan 8.290 nan 0.000 0.461 301 N N 4.353 122.961 118.700 -0.153 0.000 2.476 301 N HA 0.404 5.145 4.740 0.002 0.000 0.257 301 N C -2.667 172.811 175.510 -0.052 0.000 0.970 301 N CA -1.181 51.805 53.050 -0.107 0.000 0.938 301 N CB 1.766 40.213 38.487 -0.066 0.000 1.144 301 N HN 0.569 nan 8.380 nan 0.000 0.500 302 P HA 0.106 nan 4.420 nan 0.000 0.225 302 P C -0.478 176.821 177.300 -0.002 0.000 1.768 302 P CA 0.183 63.272 63.100 -0.019 0.000 0.943 302 P CB -0.169 31.516 31.700 -0.025 0.000 1.936 303 R N -1.642 118.868 120.500 0.017 0.000 2.888 303 R HA 0.471 4.812 4.340 0.002 0.000 0.277 303 R C -0.769 175.584 176.300 0.088 0.000 0.981 303 R CA -1.058 55.066 56.100 0.040 0.000 0.841 303 R CB -0.202 30.107 30.300 0.016 0.000 1.405 303 R HN -0.144 nan 8.270 nan 0.000 0.472 304 V N -0.418 119.579 119.914 0.139 0.000 3.083 304 V HA 0.816 4.937 4.120 0.002 0.000 0.306 304 V C 0.173 176.466 176.094 0.333 0.000 1.077 304 V CA 0.357 62.776 62.300 0.199 0.000 1.073 304 V CB 1.151 33.094 31.823 0.200 0.000 1.081 304 V HN 1.077 nan 8.190 nan 0.000 0.474 305 S N 1.685 117.545 115.700 0.267 0.000 2.757 305 S HA 0.435 4.906 4.470 0.002 0.000 0.285 305 S C 0.720 175.321 174.600 0.001 0.000 1.196 305 S CA -0.448 57.911 58.200 0.264 0.000 0.856 305 S CB 1.436 64.742 63.200 0.177 0.000 1.212 305 S HN 1.124 nan 8.310 nan 0.000 0.516 306 R N 0.419 120.901 120.500 -0.030 0.000 2.115 306 R HA 0.082 4.423 4.340 0.002 0.000 0.230 306 R C 1.507 177.797 176.300 -0.016 0.000 1.111 306 R CA 1.851 57.897 56.100 -0.090 0.000 0.976 306 R CB -0.892 29.367 30.300 -0.068 0.000 0.870 306 R HN 0.424 nan 8.270 nan 0.000 0.445 307 S N 0.948 116.665 115.700 0.029 0.000 2.436 307 S HA -0.086 4.385 4.470 0.002 0.000 0.228 307 S C 1.970 176.600 174.600 0.052 0.000 1.014 307 S CA 1.128 59.352 58.200 0.040 0.000 0.950 307 S CB 0.075 63.303 63.200 0.047 0.000 0.784 307 S HN 0.660 nan 8.310 nan 0.000 0.504 308 S N 2.121 117.860 115.700 0.066 0.000 2.387 308 S HA 0.094 4.565 4.470 0.002 0.000 0.226 308 S C 2.040 176.719 174.600 0.132 0.000 1.026 308 S CA 0.768 59.025 58.200 0.094 0.000 0.972 308 S CB -0.480 62.786 63.200 0.109 0.000 0.814 308 S HN 0.452 nan 8.310 nan 0.000 0.477 309 A N 1.872 124.760 122.820 0.113 0.000 1.898 309 A HA 0.138 4.459 4.320 0.002 0.000 0.216 309 A C 2.243 179.843 177.584 0.027 0.000 1.181 309 A CA 1.476 53.587 52.037 0.123 0.000 0.620 309 A CB -0.884 18.129 19.000 0.023 0.000 0.819 309 A HN 0.550 nan 8.150 nan 0.000 0.442 310 L N -0.214 121.019 121.223 0.017 0.000 2.027 310 L HA -0.017 4.324 4.340 0.002 0.000 0.206 310 L C 2.634 179.530 176.870 0.044 0.000 1.074 310 L CA 2.243 57.091 54.840 0.014 0.000 0.745 310 L CB -0.738 41.332 42.059 0.018 0.000 0.898 310 L HN 0.316 nan 8.230 nan 0.000 0.433 311 A N -1.149 121.709 122.820 0.065 0.000 1.908 311 A HA -0.211 4.110 4.320 0.002 0.000 0.218 311 A C 2.374 180.035 177.584 0.128 0.000 1.181 311 A CA 2.125 54.209 52.037 0.078 0.000 0.627 311 A CB -1.030 18.004 19.000 0.057 0.000 0.818 311 A HN 0.569 nan 8.150 nan 0.000 0.445 312 S N -0.163 115.643 115.700 0.177 0.000 2.368 312 S HA -0.123 4.348 4.470 0.002 0.000 0.225 312 S C 2.014 176.773 174.600 0.265 0.000 1.030 312 S CA 1.459 59.825 58.200 0.276 0.000 0.999 312 S CB -0.184 63.234 63.200 0.363 0.000 0.844 312 S HN 0.477 nan 8.310 nan 0.000 0.459 313 K N 2.074 122.561 120.400 0.146 0.000 2.057 313 K HA 0.158 4.479 4.320 0.002 0.000 0.206 313 K C 2.240 178.912 176.600 0.120 0.000 1.050 313 K CA 1.248 57.604 56.287 0.116 0.000 0.935 313 K CB -1.077 31.393 32.500 -0.049 0.000 0.715 313 K HN 0.354 nan 8.250 nan 0.000 0.439 314 A N 0.899 123.760 122.820 0.068 0.000 1.933 314 A HA -0.148 4.173 4.320 0.002 0.000 0.218 314 A C 2.189 179.889 177.584 0.194 0.000 1.175 314 A CA 2.553 54.637 52.037 0.077 0.000 0.628 314 A CB -0.703 18.340 19.000 0.071 0.000 0.814 314 A HN 0.504 nan 8.150 nan 0.000 0.444 315 T N -5.991 108.696 114.554 0.222 0.000 2.990 315 T HA 0.435 4.786 4.350 0.002 0.000 0.250 315 T C 1.446 176.355 174.700 0.349 0.000 1.041 315 T CA 1.074 63.331 62.100 0.261 0.000 1.010 315 T CB 0.447 69.440 68.868 0.208 0.000 1.003 315 T HN 1.712 nan 8.240 nan 0.000 0.499 316 G N 1.170 110.231 108.800 0.436 0.000 2.176 316 G HA2 -0.216 3.745 3.960 0.002 0.000 0.253 316 G HA3 -0.216 3.745 3.960 0.002 0.000 0.253 316 G C -0.200 175.004 174.900 0.507 0.000 0.979 316 G CA -0.021 45.390 45.100 0.518 0.000 0.641 316 G HN 0.623 nan 8.290 nan 0.000 0.530 317 F N 3.714 123.846 119.950 0.304 0.000 2.371 317 F HA 0.592 5.120 4.527 0.002 0.000 0.363 317 F C -1.881 174.062 175.800 0.238 0.000 1.122 317 F CA -3.140 55.012 58.000 0.254 0.000 1.129 317 F CB 1.516 40.599 39.000 0.139 0.000 1.173 317 F HN -0.083 nan 8.300 nan 0.000 0.489 318 P HA 0.099 nan 4.420 nan 0.000 0.249 318 P C 1.260 178.720 177.300 0.266 0.000 1.737 318 P CA 0.432 63.671 63.100 0.231 0.000 1.128 318 P CB -0.170 31.589 31.700 0.099 0.000 1.942 319 I N 1.604 122.433 120.570 0.432 0.000 2.113 319 I HA -0.363 3.808 4.170 0.002 0.000 0.242 319 I C 2.302 178.532 176.117 0.188 0.000 1.064 319 I CA 2.109 63.627 61.300 0.363 0.000 1.320 319 I CB -0.705 37.439 38.000 0.240 0.000 1.028 319 I HN 0.195 nan 8.210 nan 0.000 0.406 320 A N 0.168 123.039 122.820 0.086 0.000 1.930 320 A HA -0.214 4.107 4.320 0.002 0.000 0.217 320 A C 2.330 179.910 177.584 -0.006 0.000 1.175 320 A CA 1.592 53.638 52.037 0.014 0.000 0.627 320 A CB -0.440 18.513 19.000 -0.078 0.000 0.815 320 A HN 0.313 nan 8.150 nan 0.000 0.443 321 K N -0.545 119.837 120.400 -0.031 0.000 2.057 321 K HA -0.077 4.244 4.320 0.002 0.000 0.207 321 K C 1.896 178.492 176.600 -0.007 0.000 1.049 321 K CA 1.441 57.706 56.287 -0.038 0.000 0.931 321 K CB -0.271 32.199 32.500 -0.050 0.000 0.714 321 K HN 0.288 nan 8.250 nan 0.000 0.440 322 V N 0.922 120.853 119.914 0.028 0.000 2.270 322 V HA -0.252 3.869 4.120 0.002 0.000 0.245 322 V C 2.258 178.401 176.094 0.082 0.000 1.043 322 V CA 2.063 64.396 62.300 0.055 0.000 1.014 322 V CB -0.613 31.288 31.823 0.131 0.000 0.645 322 V HN 0.401 nan 8.190 nan 0.000 0.447 323 A N -0.084 122.796 122.820 0.101 0.000 1.940 323 A HA -0.182 4.139 4.320 0.002 0.000 0.219 323 A C 2.383 179.998 177.584 0.053 0.000 1.176 323 A CA 2.252 54.339 52.037 0.083 0.000 0.631 323 A CB -0.771 18.277 19.000 0.080 0.000 0.814 323 A HN 0.605 nan 8.150 nan 0.000 0.446 324 A N -0.390 122.448 122.820 0.030 0.000 1.930 324 A HA -0.135 4.186 4.320 0.002 0.000 0.217 324 A C 2.105 179.701 177.584 0.020 0.000 1.175 324 A CA 1.683 53.724 52.037 0.006 0.000 0.627 324 A CB -0.365 18.627 19.000 -0.013 0.000 0.815 324 A HN 0.545 nan 8.150 nan 0.000 0.443 325 K N -0.890 119.539 120.400 0.048 0.000 2.097 325 K HA -0.044 4.277 4.320 0.002 0.000 0.205 325 K C 1.613 178.339 176.600 0.210 0.000 1.050 325 K CA 0.959 57.318 56.287 0.120 0.000 0.938 325 K CB -0.260 32.224 32.500 -0.026 0.000 0.718 325 K HN 0.296 nan 8.250 nan 0.000 0.442 326 L N 0.712 122.016 121.223 0.135 0.000 2.141 326 L HA -0.050 4.291 4.340 0.002 0.000 0.209 326 L C 2.229 179.150 176.870 0.086 0.000 1.094 326 L CA 1.371 56.291 54.840 0.133 0.000 0.763 326 L CB -0.944 41.177 42.059 0.104 0.000 0.908 326 L HN 0.092 nan 8.230 nan 0.000 0.437 327 A N -0.695 122.154 122.820 0.050 0.000 2.178 327 A HA -0.051 4.270 4.320 0.002 0.000 0.218 327 A C 1.567 179.139 177.584 -0.021 0.000 1.157 327 A CA 1.382 53.424 52.037 0.009 0.000 0.689 327 A CB -0.630 18.363 19.000 -0.011 0.000 0.787 327 A HN 0.303 nan 8.150 nan 0.000 0.465 328 V N -4.874 115.034 119.914 -0.010 0.000 3.043 328 V HA 0.627 4.748 4.120 0.002 0.000 0.357 328 V C 1.039 177.107 176.094 -0.044 0.000 1.372 328 V CA 0.342 62.605 62.300 -0.062 0.000 1.214 328 V CB -0.815 30.874 31.823 -0.224 0.000 1.224 328 V HN 1.231 nan 8.190 nan 0.000 0.507 329 G N -0.339 108.450 108.800 -0.018 0.000 2.217 329 G HA2 -0.321 3.640 3.960 0.002 0.000 0.246 329 G HA3 -0.321 3.640 3.960 0.002 0.000 0.246 329 G C 0.005 174.875 174.900 -0.050 0.000 0.990 329 G CA 0.300 45.369 45.100 -0.052 0.000 0.627 329 G HN 0.605 nan 8.290 nan 0.000 0.522 330 Y N 2.091 122.422 120.300 0.050 0.000 2.511 330 Y HA 0.403 4.954 4.550 0.002 0.000 0.347 330 Y C 1.593 177.523 175.900 0.050 0.000 1.257 330 Y CA 1.001 59.133 58.100 0.053 0.000 1.469 330 Y CB 0.715 39.209 38.460 0.055 0.000 1.353 330 Y HN 0.313 nan 8.280 nan 0.000 0.617 331 T N -1.375 113.323 114.554 0.240 0.000 2.932 331 T HA 0.376 4.727 4.350 0.002 0.000 0.289 331 T C 0.712 175.503 174.700 0.152 0.000 1.039 331 T CA -0.937 61.257 62.100 0.156 0.000 1.024 331 T CB 1.137 70.071 68.868 0.111 0.000 1.090 331 T HN 0.601 nan 8.240 nan 0.000 0.496 332 L N 0.976 122.279 121.223 0.134 0.000 2.043 332 L HA -0.126 4.216 4.340 0.002 0.000 0.212 332 L C 2.580 179.525 176.870 0.126 0.000 1.075 332 L CA 1.911 56.836 54.840 0.142 0.000 0.752 332 L CB -0.722 41.436 42.059 0.165 0.000 0.891 332 L HN 0.823 nan 8.230 nan 0.000 0.432 333 D N -0.089 120.378 120.400 0.112 0.000 2.182 333 D HA -0.236 4.405 4.640 0.002 0.000 0.201 333 D C 1.611 177.956 176.300 0.075 0.000 0.986 333 D CA 1.357 55.411 54.000 0.090 0.000 0.847 333 D CB -0.509 40.338 40.800 0.078 0.000 0.942 333 D HN 0.492 nan 8.370 nan 0.000 0.467 334 E N -0.039 120.220 120.200 0.097 0.000 2.347 334 E HA 0.065 4.416 4.350 0.002 0.000 0.196 334 E C 0.592 177.217 176.600 0.042 0.000 1.008 334 E CA 0.146 56.607 56.400 0.102 0.000 0.852 334 E CB 0.132 29.954 29.700 0.204 0.000 0.783 334 E HN 0.366 nan 8.360 nan 0.000 0.505 335 L N 0.924 122.158 121.223 0.019 0.000 2.375 335 L HA 0.306 4.647 4.340 0.002 0.000 0.268 335 L C 0.148 176.996 176.870 -0.036 0.000 1.058 335 L CA -0.907 53.901 54.840 -0.053 0.000 0.803 335 L CB 0.779 42.790 42.059 -0.080 0.000 1.212 335 L HN -0.045 nan 8.230 nan 0.000 0.451 336 M N 1.534 121.092 119.600 -0.070 0.000 2.409 336 M HA 0.250 4.731 4.480 0.002 0.000 0.329 336 M C -0.326 175.919 176.300 -0.092 0.000 1.180 336 M CA -0.876 54.377 55.300 -0.079 0.000 1.053 336 M CB 0.855 33.407 32.600 -0.081 0.000 1.586 336 M HN 0.410 nan 8.290 nan 0.000 0.461 337 N N 1.554 120.186 118.700 -0.113 0.000 2.442 337 N HA 0.045 4.786 4.740 0.002 0.000 0.265 337 N C 0.303 175.754 175.510 -0.098 0.000 1.138 337 N CA 0.249 53.235 53.050 -0.107 0.000 0.956 337 N CB 0.559 38.963 38.487 -0.138 0.000 1.067 337 N HN 0.405 nan 8.380 nan 0.000 0.474 338 D N 2.760 123.115 120.400 -0.075 0.000 2.156 338 D HA -0.245 4.396 4.640 0.002 0.000 0.190 338 D C 1.729 177.963 176.300 -0.110 0.000 0.998 338 D CA 2.131 56.104 54.000 -0.044 0.000 0.842 338 D CB -0.313 40.535 40.800 0.081 0.000 0.974 338 D HN 0.796 nan 8.370 nan 0.000 0.447 339 I N -0.744 119.724 120.570 -0.170 0.000 2.756 339 I HA -0.108 4.063 4.170 0.002 0.000 0.262 339 I C 1.245 177.306 176.117 -0.093 0.000 1.225 339 I CA 1.419 62.597 61.300 -0.204 0.000 1.472 339 I CB -0.790 37.032 38.000 -0.297 0.000 1.094 339 I HN -0.077 nan 8.210 nan 0.000 0.454 340 T N -1.280 113.230 114.554 -0.073 0.000 3.366 340 T HA 0.443 4.794 4.350 0.002 0.000 0.249 340 T C 1.401 176.050 174.700 -0.084 0.000 1.028 340 T CA 0.114 62.175 62.100 -0.064 0.000 0.938 340 T CB -0.476 68.319 68.868 -0.122 0.000 1.046 340 T HN 0.718 nan 8.240 nan 0.000 0.587 341 G N 0.707 109.463 108.800 -0.074 0.000 2.187 341 G HA2 -0.030 3.931 3.960 0.002 0.000 0.261 341 G HA3 -0.030 3.931 3.960 0.002 0.000 0.261 341 G C 1.152 176.009 174.900 -0.073 0.000 1.000 341 G CA 0.369 45.431 45.100 -0.063 0.000 0.718 341 G HN 1.812 nan 8.290 nan 0.000 0.519 342 G N -1.136 107.609 108.800 -0.093 0.000 2.212 342 G HA2 -0.380 3.581 3.960 0.002 0.000 0.266 342 G HA3 -0.380 3.581 3.960 0.002 0.000 0.266 342 G C 1.192 176.020 174.900 -0.121 0.000 0.978 342 G CA 1.207 46.249 45.100 -0.096 0.000 0.632 342 G HN 0.984 nan 8.290 nan 0.000 0.537 343 R N 0.859 121.275 120.500 -0.141 0.000 2.096 343 R HA 0.048 4.389 4.340 0.002 0.000 0.240 343 R C 2.054 178.203 176.300 -0.251 0.000 1.139 343 R CA 2.055 58.052 56.100 -0.172 0.000 0.952 343 R CB -0.390 29.810 30.300 -0.166 0.000 0.854 343 R HN 0.718 nan 8.270 nan 0.000 0.436 344 T N -1.861 112.488 114.554 -0.342 0.000 2.952 344 T HA 0.542 4.893 4.350 0.002 0.000 0.286 344 T C -2.640 171.893 174.700 -0.278 0.000 1.024 344 T CA -2.344 59.509 62.100 -0.412 0.000 1.029 344 T CB 2.361 70.799 68.868 -0.715 0.000 1.094 344 T HN -0.147 nan 8.240 nan 0.000 0.515 345 P HA 0.386 nan 4.420 nan 0.000 0.280 345 P C 0.279 177.623 177.300 0.073 0.000 1.272 345 P CA -0.691 62.374 63.100 -0.058 0.000 0.819 345 P CB 0.783 32.488 31.700 0.009 0.000 1.122 346 A N 0.817 123.721 122.820 0.140 0.000 2.206 346 A HA 0.012 4.333 4.320 0.002 0.000 0.211 346 A C 1.063 178.946 177.584 0.498 0.000 1.158 346 A CA 0.620 52.829 52.037 0.287 0.000 0.761 346 A CB -1.238 17.815 19.000 0.089 0.000 0.801 346 A HN 0.562 nan 8.150 nan 0.000 0.473 347 S N 0.590 116.522 115.700 0.386 0.000 3.363 347 S HA 0.582 5.053 4.470 0.002 0.000 0.267 347 S C -0.390 174.464 174.600 0.424 0.000 1.288 347 S CA -0.630 57.764 58.200 0.324 0.000 0.948 347 S CB -1.218 62.099 63.200 0.194 0.000 1.397 347 S HN 0.802 nan 8.310 nan 0.000 0.493 348 F N -1.688 118.365 119.950 0.172 0.000 2.807 348 F HA 0.637 5.165 4.527 0.002 0.000 0.316 348 F C -1.388 174.492 175.800 0.133 0.000 1.162 348 F CA -1.259 56.824 58.000 0.137 0.000 0.910 348 F CB 0.793 39.877 39.000 0.140 0.000 1.314 348 F HN 0.155 nan 8.300 nan 0.000 0.454 349 E N 2.463 122.548 120.200 -0.192 0.000 2.156 349 E HA 0.416 4.767 4.350 0.002 0.000 0.279 349 E C -2.587 173.860 176.600 -0.255 0.000 0.965 349 E CA -1.970 54.236 56.400 -0.324 0.000 0.789 349 E CB 1.608 31.249 29.700 -0.098 0.000 1.098 349 E HN 0.302 nan 8.360 nan 0.000 0.397 350 P HA 0.014 nan 4.420 nan 0.000 0.270 350 P C -0.834 176.491 177.300 0.042 0.000 1.223 350 P CA -0.184 62.920 63.100 0.007 0.000 0.785 350 P CB 0.764 32.475 31.700 0.018 0.000 0.923 351 S N 1.134 116.893 115.700 0.099 0.000 2.614 351 S HA 0.699 5.170 4.470 0.002 0.000 0.288 351 S C -0.757 173.815 174.600 -0.047 0.000 1.137 351 S CA -0.751 57.451 58.200 0.004 0.000 0.992 351 S CB -0.104 63.105 63.200 0.016 0.000 1.026 351 S HN 0.362 nan 8.310 nan 0.000 0.486 352 I N 1.821 122.276 120.570 -0.193 0.000 2.569 352 I HA 0.690 4.861 4.170 0.002 0.000 0.296 352 I C -0.707 175.136 176.117 -0.457 0.000 1.028 352 I CA -0.851 60.168 61.300 -0.467 0.000 1.082 352 I CB 2.137 39.641 38.000 -0.827 0.000 1.264 352 I HN 0.490 nan 8.210 nan 0.000 0.429 353 D N 5.240 125.382 120.400 -0.430 0.000 2.895 353 D HA 0.282 4.923 4.640 0.002 0.000 0.258 353 D C -0.609 175.694 176.300 0.006 0.000 1.311 353 D CA -0.174 53.747 54.000 -0.130 0.000 0.843 353 D CB -0.354 40.468 40.800 0.038 0.000 1.055 353 D HN 0.743 nan 8.370 nan 0.000 0.486 354 Y N -3.639 116.661 120.300 0.001 0.000 2.818 354 Y HA 0.646 5.197 4.550 0.002 0.000 0.341 354 Y C -1.685 174.186 175.900 -0.049 0.000 1.283 354 Y CA -1.702 56.372 58.100 -0.044 0.000 1.075 354 Y CB 0.761 39.097 38.460 -0.206 0.000 1.370 354 Y HN -0.207 nan 8.280 nan 0.000 0.448 355 V N 1.984 122.026 119.914 0.214 0.000 2.540 355 V HA 0.635 4.756 4.120 0.002 0.000 0.302 355 V C -0.756 175.425 176.094 0.145 0.000 1.035 355 V CA -0.842 61.553 62.300 0.159 0.000 0.873 355 V CB 1.535 33.463 31.823 0.176 0.000 0.992 355 V HN 0.668 nan 8.190 nan 0.000 0.428 356 V N 3.583 123.575 119.914 0.131 0.000 2.483 356 V HA 0.655 4.776 4.120 0.002 0.000 0.295 356 V C 0.105 176.242 176.094 0.071 0.000 1.035 356 V CA -0.222 62.121 62.300 0.072 0.000 0.896 356 V CB 2.087 33.952 31.823 0.069 0.000 0.986 356 V HN 0.981 nan 8.190 nan 0.000 0.447 357 T N 4.705 119.281 114.554 0.037 0.000 2.881 357 T HA 0.450 4.801 4.350 0.002 0.000 0.290 357 T C -0.690 174.015 174.700 0.008 0.000 1.000 357 T CA -0.724 61.391 62.100 0.025 0.000 0.978 357 T CB 1.684 70.555 68.868 0.005 0.000 0.997 357 T HN 0.653 nan 8.240 nan 0.000 0.443 358 K N 3.644 124.041 120.400 -0.005 0.000 2.292 358 K HA 0.656 4.977 4.320 0.002 0.000 0.257 358 K C -1.417 175.156 176.600 -0.044 0.000 0.940 358 K CA -0.745 55.538 56.287 -0.006 0.000 0.811 358 K CB 1.113 33.618 32.500 0.009 0.000 1.120 358 K HN 0.616 nan 8.250 nan 0.000 0.428 359 I N 5.924 126.467 120.570 -0.045 0.000 2.466 359 I HA 0.333 4.504 4.170 0.002 0.000 0.289 359 I C -2.275 173.808 176.117 -0.057 0.000 1.026 359 I CA -2.578 58.684 61.300 -0.063 0.000 1.078 359 I CB 2.181 40.126 38.000 -0.091 0.000 1.249 359 I HN 0.472 nan 8.210 nan 0.000 0.429 360 P HA 0.245 nan 4.420 nan 0.000 0.274 360 P C -1.001 176.104 177.300 -0.325 0.000 1.237 360 P CA -0.571 62.383 63.100 -0.242 0.000 0.793 360 P CB 0.970 32.442 31.700 -0.379 0.000 0.977 361 R N 1.329 121.567 120.500 -0.437 0.000 2.494 361 R HA 0.604 4.945 4.340 0.002 0.000 0.305 361 R C -1.224 174.785 176.300 -0.486 0.000 0.959 361 R CA -0.484 55.443 56.100 -0.289 0.000 0.864 361 R CB 0.057 30.282 30.300 -0.125 0.000 1.159 361 R HN 0.260 nan 8.270 nan 0.000 0.446 362 F N 1.702 121.663 119.950 0.018 0.000 2.557 362 F HA 0.472 5.000 4.527 0.002 0.000 0.336 362 F C 0.757 176.513 175.800 -0.073 0.000 1.058 362 F CA -0.727 57.220 58.000 -0.088 0.000 0.988 362 F CB 1.808 40.769 39.000 -0.065 0.000 1.275 362 F HN 0.572 nan 8.300 nan 0.000 0.488 363 N N -0.348 118.380 118.700 0.046 0.000 2.545 363 N HA 0.196 4.937 4.740 0.002 0.000 0.283 363 N C 0.397 175.969 175.510 0.104 0.000 1.596 363 N CA 0.030 53.125 53.050 0.075 0.000 0.862 363 N CB 0.115 38.675 38.487 0.121 0.000 1.422 363 N HN 0.362 nan 8.380 nan 0.000 0.489 364 F N 1.807 121.871 119.950 0.189 0.000 2.250 364 F HA -0.191 4.337 4.527 0.002 0.000 0.301 364 F C 2.679 178.473 175.800 -0.010 0.000 1.077 364 F CA 1.067 59.130 58.000 0.105 0.000 1.348 364 F CB 0.004 39.038 39.000 0.057 0.000 1.040 364 F HN 0.313 nan 8.300 nan 0.000 0.509 365 E N 1.248 121.528 120.200 0.133 0.000 2.265 365 E HA -0.222 4.129 4.350 0.002 0.000 0.196 365 E C 1.287 177.786 176.600 -0.168 0.000 0.996 365 E CA 1.231 57.628 56.400 -0.005 0.000 0.832 365 E CB -0.741 28.948 29.700 -0.018 0.000 0.756 365 E HN 0.408 nan 8.360 nan 0.000 0.491 366 K N -0.122 120.042 120.400 -0.394 0.000 2.487 366 K HA 0.104 4.425 4.320 0.002 0.000 0.192 366 K C -0.232 175.641 176.600 -1.212 0.000 1.027 366 K CA 0.178 55.981 56.287 -0.807 0.000 1.054 366 K CB 0.100 31.996 32.500 -1.007 0.000 0.824 366 K HN 0.063 nan 8.250 nan 0.000 0.510 367 F N -0.139 119.748 119.950 -0.105 0.000 2.584 367 F HA 0.346 4.874 4.527 0.002 0.000 0.328 367 F C 1.058 176.817 175.800 -0.067 0.000 1.407 367 F CA -0.962 56.959 58.000 -0.133 0.000 1.145 367 F CB 0.464 39.175 39.000 -0.482 0.000 1.440 367 F HN -0.146 nan 8.300 nan 0.000 0.580 368 A N 0.929 123.778 122.820 0.047 0.000 1.917 368 A HA -0.130 4.191 4.320 0.002 0.000 0.219 368 A C 2.413 180.027 177.584 0.049 0.000 1.182 368 A CA 2.148 54.206 52.037 0.035 0.000 0.633 368 A CB -1.001 17.999 19.000 0.001 0.000 0.819 368 A HN 0.686 nan 8.150 nan 0.000 0.448 369 G N -1.165 107.680 108.800 0.074 0.000 2.848 369 G HA2 0.378 4.339 3.960 0.002 0.000 0.208 369 G HA3 0.378 4.339 3.960 0.002 0.000 0.208 369 G C 0.597 175.549 174.900 0.087 0.000 1.152 369 G CA 0.623 45.761 45.100 0.064 0.000 0.789 369 G HN 0.828 nan 8.290 nan 0.000 0.531 370 A N 0.440 123.331 122.820 0.118 0.000 2.371 370 A HA 0.424 4.745 4.320 0.002 0.000 0.257 370 A C 0.461 178.097 177.584 0.087 0.000 1.089 370 A CA -0.599 51.530 52.037 0.154 0.000 0.794 370 A CB 0.345 19.429 19.000 0.140 0.000 1.029 370 A HN 0.241 nan 8.150 nan 0.000 0.488 371 N N 1.137 119.908 118.700 0.119 0.000 2.442 371 N HA 0.029 4.770 4.740 0.002 0.000 0.265 371 N C -0.621 174.873 175.510 -0.028 0.000 1.138 371 N CA 0.143 53.212 53.050 0.031 0.000 0.956 371 N CB 0.952 39.477 38.487 0.064 0.000 1.067 371 N HN 0.597 nan 8.380 nan 0.000 0.474 372 D N 2.136 122.350 120.400 -0.310 0.000 2.424 372 D HA 0.103 4.744 4.640 0.002 0.000 0.220 372 D C -0.097 175.817 176.300 -0.644 0.000 1.150 372 D CA -0.197 53.250 54.000 -0.921 0.000 0.831 372 D CB 0.223 40.294 40.800 -1.214 0.000 0.981 372 D HN 0.208 nan 8.370 nan 0.000 0.500 373 R N 0.583 120.930 120.500 -0.254 0.000 2.457 373 R HA 0.426 4.767 4.340 0.002 0.000 0.284 373 R C 0.209 176.500 176.300 -0.015 0.000 1.024 373 R CA -0.716 55.296 56.100 -0.146 0.000 1.025 373 R CB 1.331 31.577 30.300 -0.090 0.000 1.063 373 R HN 0.185 nan 8.270 nan 0.000 0.493 374 L N 1.200 122.431 121.223 0.014 0.000 2.331 374 L HA 0.278 4.619 4.340 0.002 0.000 0.278 374 L C 1.110 178.053 176.870 0.122 0.000 1.106 374 L CA 0.196 55.102 54.840 0.109 0.000 0.824 374 L CB 1.127 43.249 42.059 0.105 0.000 1.142 374 L HN 0.663 nan 8.230 nan 0.000 0.443 375 T N -0.886 113.759 114.554 0.153 0.000 2.572 375 T HA 0.165 4.516 4.350 0.002 0.000 0.274 375 T C 1.012 175.799 174.700 0.145 0.000 0.949 375 T CA 0.420 62.602 62.100 0.136 0.000 1.126 375 T CB 1.200 70.141 68.868 0.122 0.000 1.478 375 T HN 0.715 nan 8.240 nan 0.000 0.492 376 T N -0.529 114.094 114.554 0.115 0.000 3.055 376 T HA 0.155 4.506 4.350 0.002 0.000 0.265 376 T C 0.775 175.561 174.700 0.144 0.000 1.111 376 T CA 0.500 62.683 62.100 0.138 0.000 1.118 376 T CB -0.138 68.778 68.868 0.080 0.000 0.909 376 T HN 0.508 nan 8.240 nan 0.000 0.501 377 Q N 1.085 120.924 119.800 0.065 0.000 2.278 377 Q HA 0.409 4.750 4.340 0.002 0.000 0.257 377 Q C -0.591 175.373 176.000 -0.060 0.000 0.928 377 Q CA -0.540 55.248 55.803 -0.025 0.000 0.932 377 Q CB 0.874 29.582 28.738 -0.050 0.000 1.221 377 Q HN 0.426 nan 8.270 nan 0.000 0.434 378 M N 3.581 123.043 119.600 -0.231 0.000 2.252 378 M HA -0.013 4.468 4.480 0.002 0.000 0.333 378 M C 0.511 176.756 176.300 -0.092 0.000 1.111 378 M CA 1.163 56.357 55.300 -0.177 0.000 1.140 378 M CB 0.504 32.919 32.600 -0.308 0.000 1.538 378 M HN 0.598 nan 8.290 nan 0.000 0.448 379 K N -0.056 120.383 120.400 0.065 0.000 2.521 379 K HA 0.112 4.433 4.320 0.002 0.000 0.213 379 K C 0.054 176.713 176.600 0.098 0.000 1.223 379 K CA -0.100 56.245 56.287 0.096 0.000 1.013 379 K CB 0.833 33.560 32.500 0.378 0.000 1.017 379 K HN 0.789 nan 8.250 nan 0.000 0.591 380 S N 0.421 116.118 115.700 -0.006 0.000 2.585 380 S HA 0.091 4.562 4.470 0.002 0.000 0.273 380 S C 1.175 175.643 174.600 -0.220 0.000 1.339 380 S CA -0.646 57.329 58.200 -0.375 0.000 1.028 380 S CB 1.451 64.163 63.200 -0.813 0.000 0.906 380 S HN 0.045 nan 8.310 nan 0.000 0.528 381 V N -1.067 118.721 119.914 -0.209 0.000 3.643 381 V HA 0.639 4.760 4.120 0.002 0.000 0.280 381 V C 0.844 176.870 176.094 -0.112 0.000 1.351 381 V CA 0.581 62.816 62.300 -0.108 0.000 1.073 381 V CB -0.886 30.915 31.823 -0.038 0.000 0.863 381 V HN 1.173 nan 8.190 nan 0.000 0.436 382 G N 0.438 109.138 108.800 -0.167 0.000 2.561 382 G HA2 0.659 4.620 3.960 0.002 0.000 0.310 382 G HA3 0.659 4.620 3.960 0.002 0.000 0.310 382 G C -1.751 173.055 174.900 -0.156 0.000 1.292 382 G CA -0.065 44.960 45.100 -0.125 0.000 0.811 382 G HN 0.612 nan 8.290 nan 0.000 0.482 383 E N -1.976 118.165 120.200 -0.100 0.000 2.388 383 E HA 0.597 4.948 4.350 0.002 0.000 0.280 383 E C -2.014 174.567 176.600 -0.032 0.000 1.019 383 E CA -0.929 55.422 56.400 -0.081 0.000 0.806 383 E CB 2.302 31.962 29.700 -0.066 0.000 1.246 383 E HN 0.827 nan 8.360 nan 0.000 0.443 384 V N 2.028 121.936 119.914 -0.010 0.000 2.960 384 V HA 0.741 4.862 4.120 0.002 0.000 0.315 384 V C -1.007 175.132 176.094 0.075 0.000 1.087 384 V CA -0.783 61.536 62.300 0.031 0.000 0.982 384 V CB 1.980 33.817 31.823 0.023 0.000 1.039 384 V HN 0.845 nan 8.190 nan 0.000 0.437 385 M N 4.946 124.655 119.600 0.181 0.000 2.530 385 M HA 0.894 5.375 4.480 0.002 0.000 0.307 385 M C -1.172 175.308 176.300 0.301 0.000 1.161 385 M CA -0.422 55.013 55.300 0.224 0.000 0.903 385 M CB 2.057 34.815 32.600 0.263 0.000 1.711 385 M HN 0.885 nan 8.290 nan 0.000 0.451 386 A N 4.097 127.006 122.820 0.148 0.000 2.539 386 A HA 0.862 5.183 4.320 0.002 0.000 0.296 386 A C -1.639 175.942 177.584 -0.006 0.000 1.073 386 A CA -0.773 51.346 52.037 0.136 0.000 0.700 386 A CB 1.542 20.600 19.000 0.096 0.000 1.296 386 A HN 0.863 nan 8.150 nan 0.000 0.405 387 I N 0.902 121.432 120.570 -0.067 0.000 2.509 387 I HA 0.679 4.850 4.170 0.002 0.000 0.293 387 I C 0.484 176.455 176.117 -0.243 0.000 1.020 387 I CA -0.550 60.547 61.300 -0.338 0.000 1.088 387 I CB 2.351 39.823 38.000 -0.881 0.000 1.267 387 I HN 0.814 nan 8.210 nan 0.000 0.430 388 G N 3.832 112.525 108.800 -0.179 0.000 2.672 388 G HA2 0.394 4.355 3.960 0.002 0.000 0.292 388 G HA3 0.394 4.355 3.960 0.002 0.000 0.292 388 G C 0.070 175.016 174.900 0.077 0.000 1.375 388 G CA -0.520 44.587 45.100 0.012 0.000 0.890 388 G HN 0.468 nan 8.290 nan 0.000 0.476 389 R N -0.798 119.813 120.500 0.184 0.000 2.236 389 R HA 0.074 4.415 4.340 0.002 0.000 0.208 389 R C 0.850 177.244 176.300 0.156 0.000 1.036 389 R CA 1.185 57.408 56.100 0.205 0.000 1.001 389 R CB -0.098 30.330 30.300 0.214 0.000 0.896 389 R HN 0.712 nan 8.270 nan 0.000 0.464 390 T N -4.309 110.326 114.554 0.135 0.000 2.883 390 T HA 0.176 4.527 4.350 0.002 0.000 0.296 390 T C 0.623 175.401 174.700 0.130 0.000 1.117 390 T CA -0.886 61.290 62.100 0.128 0.000 1.006 390 T CB 2.205 71.130 68.868 0.095 0.000 1.191 390 T HN -0.195 nan 8.240 nan 0.000 0.508 391 Q N 0.437 120.333 119.800 0.160 0.000 2.124 391 Q HA -0.102 4.239 4.340 0.002 0.000 0.202 391 Q C 2.143 178.210 176.000 0.112 0.000 0.977 391 Q CA 1.968 57.887 55.803 0.193 0.000 0.850 391 Q CB -0.418 28.504 28.738 0.307 0.000 0.901 391 Q HN 0.784 nan 8.270 nan 0.000 0.429 392 Q N -0.089 119.741 119.800 0.050 0.000 2.020 392 Q HA -0.208 4.133 4.340 0.002 0.000 0.202 392 Q C 2.028 178.030 176.000 0.004 0.000 0.982 392 Q CA 1.667 57.476 55.803 0.010 0.000 0.838 392 Q CB -0.164 28.552 28.738 -0.036 0.000 0.899 392 Q HN 0.574 nan 8.270 nan 0.000 0.423 393 E N -0.026 120.190 120.200 0.027 0.000 2.038 393 E HA -0.244 4.107 4.350 0.002 0.000 0.195 393 E C 2.074 178.700 176.600 0.043 0.000 1.000 393 E CA 1.444 57.869 56.400 0.041 0.000 0.803 393 E CB -0.152 29.603 29.700 0.093 0.000 0.750 393 E HN 0.172 nan 8.360 nan 0.000 0.448 394 S N -0.183 115.551 115.700 0.057 0.000 2.359 394 S HA -0.188 4.283 4.470 0.002 0.000 0.224 394 S C 1.985 176.597 174.600 0.019 0.000 1.035 394 S CA 1.336 59.564 58.200 0.046 0.000 1.018 394 S CB -0.410 62.832 63.200 0.069 0.000 0.876 394 S HN 0.372 nan 8.310 nan 0.000 0.448 395 L N 1.752 122.986 121.223 0.018 0.000 2.017 395 L HA -0.067 4.274 4.340 0.002 0.000 0.208 395 L C 2.487 179.295 176.870 -0.103 0.000 1.073 395 L CA 1.980 56.796 54.840 -0.039 0.000 0.745 395 L CB -0.916 41.147 42.059 0.007 0.000 0.894 395 L HN 0.366 nan 8.230 nan 0.000 0.432 396 Q N -0.497 119.256 119.800 -0.078 0.000 2.119 396 Q HA -0.219 4.122 4.340 0.002 0.000 0.201 396 Q C 2.265 178.223 176.000 -0.070 0.000 0.972 396 Q CA 1.609 57.338 55.803 -0.123 0.000 0.847 396 Q CB -0.139 28.512 28.738 -0.144 0.000 0.903 396 Q HN 0.570 nan 8.270 nan 0.000 0.433 397 K N 0.469 120.859 120.400 -0.015 0.000 2.057 397 K HA -0.125 4.196 4.320 0.002 0.000 0.207 397 K C 2.100 178.711 176.600 0.018 0.000 1.049 397 K CA 1.130 57.434 56.287 0.029 0.000 0.931 397 K CB -0.135 32.407 32.500 0.070 0.000 0.714 397 K HN 0.123 nan 8.250 nan 0.000 0.440 398 A N 1.348 124.162 122.820 -0.009 0.000 1.902 398 A HA -0.138 4.183 4.320 0.002 0.000 0.217 398 A C 2.104 179.665 177.584 -0.037 0.000 1.181 398 A CA 1.198 53.227 52.037 -0.014 0.000 0.623 398 A CB -0.597 18.375 19.000 -0.048 0.000 0.818 398 A HN 0.161 nan 8.150 nan 0.000 0.443 399 L N -0.282 120.880 121.223 -0.102 0.000 2.012 399 L HA -0.239 4.102 4.340 0.002 0.000 0.210 399 L C 2.804 179.686 176.870 0.019 0.000 1.073 399 L CA 1.984 56.770 54.840 -0.089 0.000 0.748 399 L CB -0.459 41.438 42.059 -0.270 0.000 0.891 399 L HN 0.605 nan 8.230 nan 0.000 0.431 400 R N -0.077 120.428 120.500 0.009 0.000 2.276 400 R HA -0.009 4.332 4.340 0.002 0.000 0.203 400 R C 1.719 178.040 176.300 0.036 0.000 1.017 400 R CA 1.065 57.186 56.100 0.036 0.000 1.010 400 R CB -0.486 29.839 30.300 0.041 0.000 0.900 400 R HN 0.242 nan 8.270 nan 0.000 0.469 401 G N 0.735 109.555 108.800 0.033 0.000 3.088 401 G HA2 -0.016 3.945 3.960 0.002 0.000 0.217 401 G HA3 -0.016 3.945 3.960 0.002 0.000 0.217 401 G C 0.990 175.904 174.900 0.024 0.000 1.159 401 G CA -0.377 44.740 45.100 0.029 0.000 0.760 401 G HN 0.214 nan 8.290 nan 0.000 0.550 402 L N 0.194 121.441 121.223 0.040 0.000 2.465 402 L HA 0.167 4.509 4.340 0.002 0.000 0.224 402 L C 1.152 178.046 176.870 0.041 0.000 1.145 402 L CA 0.860 55.732 54.840 0.053 0.000 0.834 402 L CB -0.070 42.053 42.059 0.108 0.000 0.944 402 L HN 0.185 nan 8.230 nan 0.000 0.451 403 E N -1.245 118.970 120.200 0.024 0.000 3.070 403 E HA -0.186 4.165 4.350 0.002 0.000 0.285 403 E C 0.860 177.460 176.600 -0.000 0.000 0.972 403 E CA 0.984 57.385 56.400 0.002 0.000 0.915 403 E CB -2.353 27.338 29.700 -0.015 0.000 1.466 403 E HN 0.477 nan 8.360 nan 0.000 0.432 404 V N -3.824 116.097 119.914 0.011 0.000 3.319 404 V HA 0.622 4.743 4.120 0.002 0.000 0.317 404 V C 1.349 177.396 176.094 -0.078 0.000 1.411 404 V CA 1.001 63.286 62.300 -0.025 0.000 1.112 404 V CB 0.513 32.332 31.823 -0.006 0.000 1.031 404 V HN 0.533 nan 8.190 nan 0.000 0.448 405 G N 0.069 108.839 108.800 -0.050 0.000 2.179 405 G HA2 -0.120 3.841 3.960 0.002 0.000 0.260 405 G HA3 -0.120 3.841 3.960 0.002 0.000 0.260 405 G C 0.486 175.348 174.900 -0.064 0.000 0.977 405 G CA 0.301 45.364 45.100 -0.061 0.000 0.641 405 G HN 1.659 nan 8.290 nan 0.000 0.533 406 A N -0.208 122.582 122.820 -0.049 0.000 2.313 406 A HA 0.768 5.089 4.320 0.002 0.000 0.261 406 A C 1.416 179.031 177.584 0.052 0.000 1.090 406 A CA 1.298 53.333 52.037 -0.004 0.000 0.807 406 A CB 0.506 19.599 19.000 0.155 0.000 1.055 406 A HN 1.494 nan 8.150 nan 0.000 0.492 407 T N -2.547 112.055 114.554 0.078 0.000 3.091 407 T HA 0.556 4.907 4.350 0.002 0.000 0.277 407 T C 0.761 175.521 174.700 0.100 0.000 0.996 407 T CA 0.897 63.045 62.100 0.079 0.000 0.897 407 T CB -0.156 68.758 68.868 0.078 0.000 1.109 407 T HN 2.286 nan 8.240 nan 0.000 0.534 408 G N 1.544 110.410 108.800 0.110 0.000 2.384 408 G HA2 0.178 4.139 3.960 0.002 0.000 0.113 408 G HA3 0.178 4.139 3.960 0.002 0.000 0.113 408 G C -1.264 173.683 174.900 0.077 0.000 1.224 408 G CA -0.827 44.285 45.100 0.021 0.000 1.126 408 G HN 0.142 nan 8.290 nan 0.000 0.461 409 F N 3.792 123.870 119.950 0.214 0.000 2.705 409 F HA 0.265 4.793 4.527 0.002 0.000 0.355 409 F C 0.597 176.598 175.800 0.335 0.000 1.172 409 F CA -0.373 57.794 58.000 0.279 0.000 1.332 409 F CB -0.208 38.879 39.000 0.145 0.000 1.621 409 F HN 0.063 nan 8.300 nan 0.000 0.605 410 D N 3.498 124.153 120.400 0.426 0.000 2.455 410 D HA 0.027 4.668 4.640 0.002 0.000 0.241 410 D C -2.069 174.333 176.300 0.171 0.000 1.138 410 D CA -0.836 53.285 54.000 0.201 0.000 0.877 410 D CB 0.638 41.453 40.800 0.025 0.000 1.187 410 D HN 0.129 nan 8.370 nan 0.000 0.451 411 P HA 0.068 nan 4.420 nan 0.000 0.271 411 P C 0.209 177.470 177.300 -0.064 0.000 1.218 411 P CA -0.332 62.796 63.100 0.048 0.000 0.780 411 P CB 1.187 32.915 31.700 0.046 0.000 0.901 412 K N 1.075 121.393 120.400 -0.137 0.000 2.350 412 K HA 0.151 4.472 4.320 0.002 0.000 0.196 412 K C 0.483 177.027 176.600 -0.095 0.000 1.084 412 K CA 0.635 56.780 56.287 -0.237 0.000 0.967 412 K CB -0.159 31.930 32.500 -0.685 0.000 0.950 412 K HN 0.480 nan 8.250 nan 0.000 0.512 413 V N -2.080 117.817 119.914 -0.028 0.000 3.046 413 V HA 0.599 4.720 4.120 0.002 0.000 0.316 413 V C 0.121 176.237 176.094 0.036 0.000 1.104 413 V CA -1.165 61.163 62.300 0.046 0.000 1.006 413 V CB 1.803 33.696 31.823 0.116 0.000 1.058 413 V HN -0.052 nan 8.190 nan 0.000 0.440 414 S N 0.563 116.286 115.700 0.037 0.000 2.565 414 S HA 0.477 4.948 4.470 0.002 0.000 0.274 414 S C 0.947 175.570 174.600 0.038 0.000 1.309 414 S CA -0.596 57.623 58.200 0.032 0.000 1.043 414 S CB 0.603 63.817 63.200 0.025 0.000 0.939 414 S HN 0.742 nan 8.310 nan 0.000 0.504 415 L N 2.328 123.574 121.223 0.037 0.000 2.127 415 L HA -0.106 4.235 4.340 0.002 0.000 0.211 415 L C 1.434 178.325 176.870 0.034 0.000 1.089 415 L CA 1.298 56.161 54.840 0.039 0.000 0.757 415 L CB -0.399 41.682 42.059 0.037 0.000 0.899 415 L HN 0.705 nan 8.230 nan 0.000 0.434 416 D N -2.162 118.255 120.400 0.028 0.000 2.336 416 D HA -0.024 4.617 4.640 0.002 0.000 0.228 416 D C 0.293 176.607 176.300 0.023 0.000 1.120 416 D CA -0.172 53.843 54.000 0.024 0.000 0.839 416 D CB -0.452 40.360 40.800 0.019 0.000 0.932 416 D HN 0.080 nan 8.370 nan 0.000 0.509 417 D N 1.364 121.780 120.400 0.028 0.000 2.316 417 D HA 0.112 4.753 4.640 0.002 0.000 0.245 417 D C -1.442 174.873 176.300 0.026 0.000 1.171 417 D CA -2.234 51.782 54.000 0.026 0.000 0.856 417 D CB 1.856 42.676 40.800 0.032 0.000 1.090 417 D HN -0.145 nan 8.370 nan 0.000 0.476 418 P HA -0.073 nan 4.420 nan 0.000 0.225 418 P C 0.471 177.781 177.300 0.017 0.000 1.148 418 P CA 0.902 64.012 63.100 0.017 0.000 0.779 418 P CB 0.392 32.099 31.700 0.012 0.000 0.780 419 E N -1.072 119.139 120.200 0.018 0.000 2.481 419 E HA 0.189 4.540 4.350 0.002 0.000 0.198 419 E C 1.841 178.455 176.600 0.023 0.000 1.027 419 E CA -0.004 56.405 56.400 0.015 0.000 0.900 419 E CB -0.005 29.701 29.700 0.009 0.000 0.993 419 E HN 0.091 nan 8.360 nan 0.000 0.482 420 A N 1.463 124.305 122.820 0.036 0.000 1.884 420 A HA -0.234 4.087 4.320 0.002 0.000 0.219 420 A C 2.118 179.732 177.584 0.051 0.000 1.197 420 A CA 1.362 53.432 52.037 0.055 0.000 0.637 420 A CB -0.715 18.323 19.000 0.063 0.000 0.827 420 A HN 0.225 nan 8.150 nan 0.000 0.450 421 L N -1.108 120.136 121.223 0.035 0.000 2.191 421 L HA -0.139 4.202 4.340 0.002 0.000 0.212 421 L C 2.665 179.538 176.870 0.006 0.000 1.103 421 L CA 1.591 56.446 54.840 0.025 0.000 0.769 421 L CB -0.526 41.545 42.059 0.021 0.000 0.908 421 L HN 0.369 nan 8.230 nan 0.000 0.438 422 T N -0.847 113.707 114.554 0.000 0.000 2.896 422 T HA -0.096 4.255 4.350 0.002 0.000 0.263 422 T C 1.917 176.592 174.700 -0.041 0.000 1.050 422 T CA 0.908 62.996 62.100 -0.019 0.000 1.140 422 T CB 0.113 68.972 68.868 -0.016 0.000 0.877 422 T HN 0.259 nan 8.240 nan 0.000 0.457 423 K N 0.810 121.192 120.400 -0.029 0.000 2.002 423 K HA 0.031 4.352 4.320 0.002 0.000 0.209 423 K C 2.158 178.681 176.600 -0.128 0.000 1.048 423 K CA 1.218 57.466 56.287 -0.065 0.000 0.930 423 K CB -0.351 32.150 32.500 0.001 0.000 0.714 423 K HN 0.256 nan 8.250 nan 0.000 0.438 424 I N 1.041 121.596 120.570 -0.026 0.000 2.151 424 I HA -0.355 3.816 4.170 0.002 0.000 0.243 424 I C 2.749 178.813 176.117 -0.089 0.000 1.080 424 I CA 1.296 62.592 61.300 -0.006 0.000 1.339 424 I CB -0.275 37.781 38.000 0.094 0.000 1.039 424 I HN 0.205 nan 8.210 nan 0.000 0.409 425 R N 0.832 121.294 120.500 -0.064 0.000 2.096 425 R HA -0.247 4.094 4.340 0.002 0.000 0.240 425 R C 2.582 178.821 176.300 -0.103 0.000 1.139 425 R CA 1.765 57.823 56.100 -0.069 0.000 0.952 425 R CB -0.340 29.931 30.300 -0.048 0.000 0.854 425 R HN 0.238 nan 8.270 nan 0.000 0.436 426 R N 0.724 121.148 120.500 -0.127 0.000 2.096 426 R HA -0.121 4.220 4.340 0.002 0.000 0.235 426 R C 1.501 177.686 176.300 -0.191 0.000 1.127 426 R CA 1.567 57.579 56.100 -0.146 0.000 0.968 426 R CB -0.221 29.993 30.300 -0.144 0.000 0.861 426 R HN 0.281 nan 8.270 nan 0.000 0.440 427 E N 0.516 120.543 120.200 -0.288 0.000 2.268 427 E HA -0.122 4.229 4.350 0.002 0.000 0.195 427 E C 1.898 178.388 176.600 -0.182 0.000 0.995 427 E CA 0.583 56.770 56.400 -0.356 0.000 0.836 427 E CB 0.001 29.187 29.700 -0.857 0.000 0.763 427 E HN 0.207 nan 8.360 nan 0.000 0.491 428 L N 0.719 121.862 121.223 -0.133 0.000 2.127 428 L HA -0.010 4.331 4.340 0.002 0.000 0.203 428 L C 2.324 179.148 176.870 -0.076 0.000 1.080 428 L CA 1.364 56.159 54.840 -0.074 0.000 0.768 428 L CB -0.488 41.530 42.059 -0.068 0.000 0.924 428 L HN -0.038 nan 8.230 nan 0.000 0.444 429 K N -0.691 119.656 120.400 -0.089 0.000 2.057 429 K HA -0.074 4.247 4.320 0.002 0.000 0.206 429 K C -0.269 176.281 176.600 -0.084 0.000 1.050 429 K CA 1.110 57.347 56.287 -0.084 0.000 0.935 429 K CB 0.237 32.686 32.500 -0.085 0.000 0.715 429 K HN 0.192 nan 8.250 nan 0.000 0.439 430 D N 1.007 121.347 120.400 -0.099 0.000 2.458 430 D HA 0.173 4.814 4.640 0.002 0.000 0.258 430 D C -1.149 175.096 176.300 -0.092 0.000 1.134 430 D CA -0.113 53.829 54.000 -0.097 0.000 0.915 430 D CB 1.334 42.059 40.800 -0.125 0.000 1.028 430 D HN 0.260 nan 8.370 nan 0.000 0.508 431 A N 1.567 124.355 122.820 -0.053 0.000 2.565 431 A HA 0.476 4.797 4.320 0.002 0.000 0.237 431 A C 0.895 178.442 177.584 -0.062 0.000 1.053 431 A CA 0.440 52.458 52.037 -0.030 0.000 0.755 431 A CB 0.443 19.455 19.000 0.020 0.000 0.980 431 A HN 0.515 nan 8.150 nan 0.000 0.506 432 G N -0.629 108.126 108.800 -0.075 0.000 3.140 432 G HA2 0.580 4.541 3.960 0.002 0.000 0.271 432 G HA3 0.580 4.541 3.960 0.002 0.000 0.271 432 G C 0.848 175.676 174.900 -0.120 0.000 1.370 432 G CA 0.123 45.130 45.100 -0.154 0.000 1.014 432 G HN 1.311 nan 8.290 nan 0.000 0.541 433 A N -0.822 121.880 122.820 -0.197 0.000 2.067 433 A HA 0.074 4.395 4.320 0.002 0.000 0.219 433 A C 1.523 179.270 177.584 0.271 0.000 1.158 433 A CA 1.917 53.846 52.037 -0.181 0.000 0.661 433 A CB -0.168 18.792 19.000 -0.068 0.000 0.801 433 A HN 0.395 nan 8.150 nan 0.000 0.452 434 D N -1.196 119.405 120.400 0.335 0.000 2.339 434 D HA 0.042 4.683 4.640 0.002 0.000 0.217 434 D C 1.699 178.379 176.300 0.633 0.000 1.050 434 D CA 0.082 54.465 54.000 0.638 0.000 0.856 434 D CB -0.182 40.950 40.800 0.554 0.000 0.922 434 D HN 0.499 nan 8.370 nan 0.000 0.518 435 R N 0.721 121.443 120.500 0.371 0.000 2.133 435 R HA -0.239 4.102 4.340 0.002 0.000 0.245 435 R C 2.014 178.473 176.300 0.265 0.000 1.137 435 R CA 1.345 57.624 56.100 0.299 0.000 0.947 435 R CB -0.457 29.943 30.300 0.166 0.000 0.865 435 R HN 0.091 nan 8.270 nan 0.000 0.437 436 I N 0.336 120.950 120.570 0.075 0.000 2.185 436 I HA -0.317 3.854 4.170 0.002 0.000 0.246 436 I C 1.730 177.809 176.117 -0.063 0.000 1.088 436 I CA 1.615 62.839 61.300 -0.127 0.000 1.347 436 I CB -0.360 37.289 38.000 -0.585 0.000 1.041 436 I HN 0.354 nan 8.210 nan 0.000 0.415 437 W N -0.826 120.579 121.300 0.175 0.000 2.418 437 W HA -0.180 4.481 4.660 0.002 0.000 0.292 437 W C 2.565 179.103 176.519 0.032 0.000 1.213 437 W CA 0.882 58.291 57.345 0.106 0.000 1.283 437 W CB -1.222 28.183 29.460 -0.092 0.000 1.119 437 W HN 0.223 nan 8.180 nan 0.000 0.542 438 Y N 0.347 120.824 120.300 0.296 0.000 2.352 438 Y HA -0.162 4.389 4.550 0.002 0.000 0.292 438 Y C 2.410 178.337 175.900 0.046 0.000 1.136 438 Y CA 1.054 59.245 58.100 0.152 0.000 1.227 438 Y CB -0.707 37.815 38.460 0.102 0.000 0.991 438 Y HN -0.177 nan 8.280 nan 0.000 0.545 439 I N -0.751 119.922 120.570 0.171 0.000 2.252 439 I HA -0.314 3.857 4.170 0.002 0.000 0.245 439 I C 2.554 178.575 176.117 -0.160 0.000 1.102 439 I CA 1.089 62.364 61.300 -0.041 0.000 1.385 439 I CB -0.486 37.547 38.000 0.054 0.000 1.064 439 I HN 0.191 nan 8.210 nan 0.000 0.414 440 A N 0.384 123.230 122.820 0.043 0.000 1.898 440 A HA -0.226 4.095 4.320 0.002 0.000 0.216 440 A C 1.959 179.601 177.584 0.096 0.000 1.181 440 A CA 1.913 53.991 52.037 0.067 0.000 0.620 440 A CB -0.554 18.489 19.000 0.072 0.000 0.819 440 A HN 0.306 nan 8.150 nan 0.000 0.442 441 D N 0.138 120.595 120.400 0.095 0.000 2.149 441 D HA -0.078 4.563 4.640 0.002 0.000 0.198 441 D C 2.234 178.570 176.300 0.059 0.000 0.990 441 D CA 1.455 55.509 54.000 0.089 0.000 0.839 441 D CB -0.396 40.456 40.800 0.088 0.000 0.948 441 D HN 0.411 nan 8.370 nan 0.000 0.460 442 A N 0.374 123.174 122.820 -0.032 0.000 1.883 442 A HA -0.202 4.119 4.320 0.002 0.000 0.217 442 A C 2.017 179.558 177.584 -0.071 0.000 1.186 442 A CA 1.196 53.160 52.037 -0.123 0.000 0.624 442 A CB -0.984 17.844 19.000 -0.287 0.000 0.822 442 A HN 0.147 nan 8.150 nan 0.000 0.444 443 F N -0.243 119.736 119.950 0.048 0.000 2.171 443 F HA -0.068 4.461 4.527 0.002 0.000 0.300 443 F C 2.508 178.326 175.800 0.030 0.000 1.090 443 F CA 1.356 59.371 58.000 0.026 0.000 1.293 443 F CB -0.619 38.379 39.000 -0.004 0.000 1.013 443 F HN 0.128 nan 8.300 nan 0.000 0.486 444 R N -0.247 120.375 120.500 0.204 0.000 2.115 444 R HA 0.003 4.344 4.340 0.002 0.000 0.230 444 R C 2.084 178.448 176.300 0.105 0.000 1.111 444 R CA 1.009 57.191 56.100 0.137 0.000 0.976 444 R CB -0.517 29.851 30.300 0.112 0.000 0.870 444 R HN 0.205 nan 8.270 nan 0.000 0.445 445 A N -0.247 122.631 122.820 0.096 0.000 2.238 445 A HA 0.237 4.558 4.320 0.002 0.000 0.208 445 A C 1.290 178.918 177.584 0.074 0.000 1.177 445 A CA 0.770 52.852 52.037 0.074 0.000 0.804 445 A CB 0.024 19.062 19.000 0.063 0.000 0.823 445 A HN 0.443 nan 8.150 nan 0.000 0.482 446 G N -1.546 107.314 108.800 0.100 0.000 2.179 446 G HA2 -0.174 3.787 3.960 0.002 0.000 0.220 446 G HA3 -0.174 3.787 3.960 0.002 0.000 0.220 446 G C 0.047 175.010 174.900 0.105 0.000 0.990 446 G CA 0.079 45.236 45.100 0.095 0.000 0.646 446 G HN 0.384 nan 8.290 nan 0.000 0.517 447 L N 1.834 123.123 121.223 0.111 0.000 2.418 447 L HA 0.609 4.950 4.340 0.002 0.000 0.265 447 L C 1.360 178.356 176.870 0.210 0.000 1.143 447 L CA -0.100 54.802 54.840 0.104 0.000 0.809 447 L CB 1.425 43.503 42.059 0.032 0.000 1.124 447 L HN 0.402 nan 8.230 nan 0.000 0.456 448 S N 0.618 116.429 115.700 0.185 0.000 2.610 448 S HA 0.226 4.697 4.470 0.002 0.000 0.273 448 S C 1.102 175.904 174.600 0.336 0.000 1.274 448 S CA -0.914 57.422 58.200 0.228 0.000 1.023 448 S CB 1.681 64.959 63.200 0.130 0.000 0.962 448 S HN 0.348 nan 8.310 nan 0.000 0.523 449 V N 1.665 121.807 119.914 0.379 0.000 2.277 449 V HA -0.243 3.878 4.120 0.002 0.000 0.253 449 V C 2.119 178.376 176.094 0.271 0.000 1.067 449 V CA 2.561 65.087 62.300 0.377 0.000 1.047 449 V CB -0.885 31.035 31.823 0.162 0.000 0.649 449 V HN 0.897 nan 8.190 nan 0.000 0.447 450 D N 0.038 120.547 120.400 0.182 0.000 2.178 450 D HA -0.090 4.551 4.640 0.002 0.000 0.201 450 D C 2.138 178.561 176.300 0.204 0.000 0.980 450 D CA 1.463 55.570 54.000 0.179 0.000 0.842 450 D CB -0.490 40.372 40.800 0.103 0.000 0.948 450 D HN 0.526 nan 8.370 nan 0.000 0.472 451 G N 0.670 109.565 108.800 0.159 0.000 2.408 451 G HA2 -0.164 3.797 3.960 0.002 0.000 0.217 451 G HA3 -0.164 3.797 3.960 0.002 0.000 0.217 451 G C 1.871 176.824 174.900 0.089 0.000 1.150 451 G CA 0.428 45.595 45.100 0.111 0.000 0.776 451 G HN 0.215 nan 8.290 nan 0.000 0.542 452 V N 0.477 120.449 119.914 0.097 0.000 2.295 452 V HA -0.129 3.992 4.120 0.002 0.000 0.246 452 V C 2.290 178.421 176.094 0.063 0.000 1.049 452 V CA 1.862 64.177 62.300 0.026 0.000 1.024 452 V CB -0.679 31.108 31.823 -0.061 0.000 0.648 452 V HN 0.396 nan 8.190 nan 0.000 0.447 453 F N 1.998 121.979 119.950 0.051 0.000 2.043 453 F HA -0.299 4.229 4.527 0.002 0.000 0.297 453 F C 2.393 178.211 175.800 0.031 0.000 1.118 453 F CA 2.415 60.443 58.000 0.046 0.000 1.202 453 F CB -0.440 38.596 39.000 0.060 0.000 0.965 453 F HN 0.203 nan 8.300 nan 0.000 0.482 454 N N 0.724 119.479 118.700 0.093 0.000 2.137 454 N HA -0.200 4.541 4.740 0.002 0.000 0.190 454 N C 1.867 177.314 175.510 -0.105 0.000 1.017 454 N CA 1.866 54.922 53.050 0.012 0.000 0.859 454 N CB -0.594 37.965 38.487 0.120 0.000 1.002 454 N HN 0.401 nan 8.380 nan 0.000 0.428 455 L N -0.180 120.991 121.223 -0.087 0.000 2.209 455 L HA 0.002 4.343 4.340 0.002 0.000 0.207 455 L C 2.160 178.947 176.870 -0.138 0.000 1.094 455 L CA 1.229 56.013 54.840 -0.094 0.000 0.790 455 L CB -0.316 41.703 42.059 -0.066 0.000 0.932 455 L HN 0.302 nan 8.230 nan 0.000 0.447 456 T N -5.397 109.040 114.554 -0.195 0.000 3.023 456 T HA 0.099 4.450 4.350 0.002 0.000 0.249 456 T C 0.876 175.403 174.700 -0.289 0.000 1.050 456 T CA 0.490 62.473 62.100 -0.195 0.000 1.088 456 T CB -0.065 68.716 68.868 -0.144 0.000 0.946 456 T HN 0.287 nan 8.240 nan 0.000 0.480 457 N N 0.458 118.819 118.700 -0.567 0.000 2.800 457 N HA -0.115 4.626 4.740 0.002 0.000 0.250 457 N C -0.869 174.436 175.510 -0.342 0.000 1.078 457 N CA 0.543 53.189 53.050 -0.673 0.000 0.804 457 N CB -1.787 36.506 38.487 -0.323 0.000 1.135 457 N HN 0.565 nan 8.380 nan 0.000 0.565 458 I N 1.021 121.440 120.570 -0.251 0.000 2.416 458 I HA 0.034 4.205 4.170 0.002 0.000 0.288 458 I C 0.876 177.116 176.117 0.205 0.000 1.051 458 I CA -0.239 60.968 61.300 -0.155 0.000 1.375 458 I CB 0.445 38.193 38.000 -0.420 0.000 1.407 458 I HN 0.142 nan 8.210 nan 0.000 0.516 459 D N 6.196 126.804 120.400 0.347 0.000 2.629 459 D HA -0.091 4.550 4.640 0.002 0.000 0.228 459 D C 1.180 177.717 176.300 0.396 0.000 1.127 459 D CA 0.487 54.754 54.000 0.444 0.000 0.855 459 D CB 0.833 41.860 40.800 0.378 0.000 1.180 459 D HN 0.499 nan 8.370 nan 0.000 0.484 460 R N 2.841 123.503 120.500 0.270 0.000 2.159 460 R HA -0.192 4.149 4.340 0.002 0.000 0.237 460 R C 1.947 178.327 176.300 0.133 0.000 1.131 460 R CA 1.038 57.245 56.100 0.179 0.000 0.982 460 R CB -0.146 30.173 30.300 0.033 0.000 0.868 460 R HN 0.647 nan 8.270 nan 0.000 0.453 461 W N 0.926 122.183 121.300 -0.072 0.000 2.325 461 W HA -0.210 4.451 4.660 0.002 0.000 0.299 461 W C 1.236 177.644 176.519 -0.185 0.000 1.215 461 W CA 1.506 58.735 57.345 -0.194 0.000 1.244 461 W CB -0.195 29.042 29.460 -0.372 0.000 1.140 461 W HN -0.044 nan 8.180 nan 0.000 0.523 462 F N -0.275 119.819 119.950 0.241 0.000 2.149 462 F HA -0.077 4.451 4.527 0.002 0.000 0.294 462 F C 2.330 178.187 175.800 0.095 0.000 1.095 462 F CA 1.379 59.488 58.000 0.183 0.000 1.276 462 F CB -1.339 37.888 39.000 0.380 0.000 1.023 462 F HN -0.265 nan 8.300 nan 0.000 0.480 463 L N 0.327 121.753 121.223 0.339 0.000 2.013 463 L HA -0.238 4.103 4.340 0.002 0.000 0.212 463 L C 2.605 179.539 176.870 0.106 0.000 1.073 463 L CA 1.691 56.716 54.840 0.308 0.000 0.753 463 L CB -1.353 40.927 42.059 0.368 0.000 0.890 463 L HN 0.194 nan 8.230 nan 0.000 0.432 464 V N -2.586 117.305 119.914 -0.038 0.000 2.392 464 V HA -0.299 3.822 4.120 0.002 0.000 0.249 464 V C 2.234 178.190 176.094 -0.230 0.000 1.059 464 V CA 1.660 63.848 62.300 -0.187 0.000 1.051 464 V CB -0.872 30.840 31.823 -0.186 0.000 0.658 464 V HN 0.506 nan 8.190 nan 0.000 0.455 465 Q N 0.152 119.829 119.800 -0.205 0.000 2.079 465 Q HA -0.030 4.311 4.340 0.002 0.000 0.200 465 Q C 2.364 178.277 176.000 -0.146 0.000 0.974 465 Q CA 2.194 57.880 55.803 -0.194 0.000 0.840 465 Q CB -0.281 28.317 28.738 -0.234 0.000 0.898 465 Q HN 0.683 nan 8.270 nan 0.000 0.430 466 I N 0.674 121.192 120.570 -0.086 0.000 2.315 466 I HA -0.250 3.921 4.170 0.002 0.000 0.248 466 I C 2.469 178.437 176.117 -0.248 0.000 1.117 466 I CA 1.060 62.246 61.300 -0.190 0.000 1.404 466 I CB -0.310 37.673 38.000 -0.028 0.000 1.071 466 I HN 0.313 nan 8.210 nan 0.000 0.419 467 E N 1.428 121.378 120.200 -0.416 0.000 2.077 467 E HA -0.308 4.043 4.350 0.002 0.000 0.193 467 E C 2.109 178.496 176.600 -0.354 0.000 0.989 467 E CA 1.521 57.469 56.400 -0.753 0.000 0.800 467 E CB -0.031 28.874 29.700 -1.325 0.000 0.746 467 E HN 0.511 nan 8.360 nan 0.000 0.452 468 E N 0.404 120.455 120.200 -0.248 0.000 2.153 468 E HA -0.197 4.154 4.350 0.002 0.000 0.194 468 E C 2.209 178.794 176.600 -0.025 0.000 0.988 468 E CA 0.897 57.222 56.400 -0.125 0.000 0.811 468 E CB -0.079 29.558 29.700 -0.104 0.000 0.746 468 E HN 0.354 nan 8.360 nan 0.000 0.466 469 L N 0.287 121.491 121.223 -0.032 0.000 2.093 469 L HA -0.131 4.210 4.340 0.002 0.000 0.208 469 L C 2.538 179.525 176.870 0.195 0.000 1.085 469 L CA 0.587 55.500 54.840 0.121 0.000 0.755 469 L CB -0.279 41.740 42.059 -0.065 0.000 0.904 469 L HN 0.123 nan 8.230 nan 0.000 0.435 470 V N -0.151 119.783 119.914 0.033 0.000 2.343 470 V HA -0.234 3.887 4.120 0.002 0.000 0.247 470 V C 2.713 178.850 176.094 0.071 0.000 1.051 470 V CA 1.509 63.852 62.300 0.071 0.000 1.036 470 V CB -0.590 31.271 31.823 0.063 0.000 0.654 470 V HN 0.430 nan 8.190 nan 0.000 0.451 471 R N -0.146 120.368 120.500 0.024 0.000 2.091 471 R HA -0.106 4.235 4.340 0.002 0.000 0.238 471 R C 2.227 178.559 176.300 0.054 0.000 1.136 471 R CA 1.384 57.495 56.100 0.019 0.000 0.959 471 R CB -0.883 29.404 30.300 -0.022 0.000 0.856 471 R HN 0.436 nan 8.270 nan 0.000 0.437 472 L N 0.902 122.186 121.223 0.102 0.000 2.046 472 L HA -0.152 4.189 4.340 0.002 0.000 0.208 472 L C 2.435 179.324 176.870 0.031 0.000 1.077 472 L CA 1.351 56.263 54.840 0.120 0.000 0.747 472 L CB -0.457 41.726 42.059 0.207 0.000 0.896 472 L HN 0.229 nan 8.230 nan 0.000 0.432 473 E N 0.173 120.396 120.200 0.038 0.000 2.085 473 E HA -0.257 4.094 4.350 0.002 0.000 0.194 473 E C 2.022 178.632 176.600 0.018 0.000 0.994 473 E CA 1.355 57.746 56.400 -0.015 0.000 0.801 473 E CB -0.121 29.644 29.700 0.109 0.000 0.743 473 E HN 0.568 nan 8.360 nan 0.000 0.453 474 E N 0.844 121.070 120.200 0.043 0.000 2.118 474 E HA -0.228 4.123 4.350 0.002 0.000 0.195 474 E C 2.099 178.718 176.600 0.030 0.000 0.992 474 E CA 1.144 57.566 56.400 0.036 0.000 0.804 474 E CB -0.083 29.637 29.700 0.034 0.000 0.741 474 E HN 0.120 nan 8.360 nan 0.000 0.458 475 K N 1.053 121.477 120.400 0.041 0.000 2.062 475 K HA -0.109 4.212 4.320 0.002 0.000 0.205 475 K C 2.074 178.731 176.600 0.095 0.000 1.051 475 K CA 0.953 57.263 56.287 0.038 0.000 0.941 475 K CB 0.025 32.523 32.500 -0.004 0.000 0.719 475 K HN -0.071 nan 8.250 nan 0.000 0.440 476 V N 1.731 121.724 119.914 0.131 0.000 2.324 476 V HA -0.291 3.830 4.120 0.002 0.000 0.250 476 V C 2.529 178.652 176.094 0.048 0.000 1.060 476 V CA 2.124 64.484 62.300 0.100 0.000 1.042 476 V CB -0.871 30.908 31.823 -0.073 0.000 0.650 476 V HN 0.562 nan 8.190 nan 0.000 0.450 477 A N -0.988 121.847 122.820 0.026 0.000 2.015 477 A HA -0.240 4.081 4.320 0.002 0.000 0.219 477 A C 2.300 179.898 177.584 0.022 0.000 1.163 477 A CA 1.886 53.936 52.037 0.020 0.000 0.646 477 A CB -0.379 18.634 19.000 0.022 0.000 0.806 477 A HN 0.644 nan 8.150 nan 0.000 0.448 478 E N -0.136 120.077 120.200 0.022 0.000 2.086 478 E HA -0.086 4.265 4.350 0.002 0.000 0.190 478 E C 1.906 178.514 176.600 0.013 0.000 0.975 478 E CA 1.313 57.720 56.400 0.011 0.000 0.813 478 E CB -0.004 29.695 29.700 -0.002 0.000 0.768 478 E HN 0.513 nan 8.360 nan 0.000 0.457 479 V N -1.814 118.114 119.914 0.025 0.000 3.129 479 V HA 0.260 4.381 4.120 0.002 0.000 0.259 479 V C 1.064 177.184 176.094 0.043 0.000 1.116 479 V CA 0.733 63.050 62.300 0.029 0.000 1.127 479 V CB -0.787 31.056 31.823 0.034 0.000 0.742 479 V HN 0.356 nan 8.190 nan 0.000 0.474 480 G N 0.419 109.245 108.800 0.044 0.000 2.749 480 G HA2 -0.347 3.614 3.960 0.002 0.000 0.242 480 G HA3 -0.347 3.614 3.960 0.002 0.000 0.242 480 G C 0.485 175.410 174.900 0.042 0.000 1.364 480 G CA 0.265 45.384 45.100 0.032 0.000 0.888 480 G HN 0.789 nan 8.290 nan 0.000 0.566 481 I N 0.450 121.034 120.570 0.024 0.000 2.530 481 I HA -0.163 4.009 4.170 0.002 0.000 0.257 481 I C 2.647 178.790 176.117 0.044 0.000 1.179 481 I CA 2.519 63.833 61.300 0.023 0.000 1.440 481 I CB -0.176 37.827 38.000 0.004 0.000 1.087 481 I HN 0.664 nan 8.210 nan 0.000 0.440 482 T N -0.452 114.129 114.554 0.045 0.000 2.951 482 T HA -0.011 4.340 4.350 0.002 0.000 0.268 482 T C 1.621 176.366 174.700 0.075 0.000 1.073 482 T CA 0.986 63.117 62.100 0.052 0.000 1.134 482 T CB -0.529 68.360 68.868 0.035 0.000 0.884 482 T HN 0.543 nan 8.240 nan 0.000 0.479 483 G N 0.884 109.737 108.800 0.089 0.000 2.985 483 G HA2 0.226 4.187 3.960 0.002 0.000 0.209 483 G HA3 0.226 4.187 3.960 0.002 0.000 0.209 483 G C 0.647 175.687 174.900 0.234 0.000 1.165 483 G CA -0.300 44.871 45.100 0.118 0.000 0.776 483 G HN 0.454 nan 8.290 nan 0.000 0.541 484 L N 2.514 123.852 121.223 0.191 0.000 2.672 484 L HA 0.140 4.481 4.340 0.002 0.000 0.238 484 L C 0.609 177.625 176.870 0.242 0.000 1.392 484 L CA -0.703 54.247 54.840 0.184 0.000 1.238 484 L CB -1.149 40.951 42.059 0.069 0.000 1.548 484 L HN 0.316 nan 8.230 nan 0.000 0.423 485 N N -0.226 118.599 118.700 0.208 0.000 2.235 485 N HA 0.097 4.838 4.740 0.002 0.000 0.231 485 N C 1.222 176.653 175.510 -0.131 0.000 1.330 485 N CA 0.335 53.428 53.050 0.071 0.000 0.898 485 N CB 0.686 39.184 38.487 0.018 0.000 1.151 485 N HN 0.139 nan 8.380 nan 0.000 0.472 486 A N -0.463 121.992 122.820 -0.608 0.000 1.898 486 A HA -0.162 4.159 4.320 0.002 0.000 0.216 486 A C 1.544 178.974 177.584 -0.257 0.000 1.181 486 A CA 1.506 53.079 52.037 -0.774 0.000 0.620 486 A CB -0.762 17.662 19.000 -0.960 0.000 0.819 486 A HN 0.774 nan 8.150 nan 0.000 0.442 487 D N -0.767 119.551 120.400 -0.136 0.000 2.084 487 D HA -0.145 4.496 4.640 0.002 0.000 0.194 487 D C 1.663 178.009 176.300 0.076 0.000 0.990 487 D CA 1.250 55.236 54.000 -0.023 0.000 0.826 487 D CB -0.564 40.235 40.800 -0.002 0.000 0.971 487 D HN 0.376 nan 8.370 nan 0.000 0.453 488 F N 1.551 121.451 119.950 -0.084 0.000 2.069 488 F HA -0.165 4.363 4.527 0.002 0.000 0.298 488 F C 2.179 177.945 175.800 -0.058 0.000 1.113 488 F CA 0.695 58.658 58.000 -0.061 0.000 1.214 488 F CB -0.799 38.167 39.000 -0.055 0.000 0.978 488 F HN -0.111 nan 8.300 nan 0.000 0.474 489 L N 0.956 122.060 121.223 -0.198 0.000 2.012 489 L HA -0.195 4.146 4.340 0.002 0.000 0.210 489 L C 2.677 179.412 176.870 -0.225 0.000 1.073 489 L CA 2.169 56.846 54.840 -0.272 0.000 0.748 489 L CB -1.039 40.995 42.059 -0.041 0.000 0.891 489 L HN 0.224 nan 8.230 nan 0.000 0.431 490 R N -0.933 119.489 120.500 -0.129 0.000 2.091 490 R HA -0.248 4.093 4.340 0.002 0.000 0.238 490 R C 2.395 178.633 176.300 -0.103 0.000 1.136 490 R CA 2.005 58.037 56.100 -0.113 0.000 0.959 490 R CB -0.407 29.872 30.300 -0.035 0.000 0.856 490 R HN 0.642 nan 8.270 nan 0.000 0.437 491 Q N 0.452 120.226 119.800 -0.045 0.000 2.030 491 Q HA -0.203 4.138 4.340 0.002 0.000 0.204 491 Q C 2.169 178.163 176.000 -0.012 0.000 0.986 491 Q CA 2.038 57.852 55.803 0.018 0.000 0.843 491 Q CB -0.155 28.662 28.738 0.132 0.000 0.904 491 Q HN 0.484 nan 8.270 nan 0.000 0.420 492 L N 0.624 121.769 121.223 -0.130 0.000 2.012 492 L HA -0.236 4.105 4.340 0.002 0.000 0.210 492 L C 2.653 179.530 176.870 0.012 0.000 1.073 492 L CA 1.224 56.020 54.840 -0.072 0.000 0.748 492 L CB -0.524 41.274 42.059 -0.434 0.000 0.891 492 L HN 0.124 nan 8.230 nan 0.000 0.431 493 K N 0.365 120.627 120.400 -0.230 0.000 2.097 493 K HA -0.143 4.178 4.320 0.002 0.000 0.206 493 K C 2.157 178.587 176.600 -0.284 0.000 1.049 493 K CA 1.297 57.312 56.287 -0.452 0.000 0.933 493 K CB -0.377 31.398 32.500 -1.208 0.000 0.717 493 K HN 0.321 nan 8.250 nan 0.000 0.442 494 R N 0.863 121.283 120.500 -0.133 0.000 2.120 494 R HA -0.039 4.302 4.340 0.002 0.000 0.234 494 R C 1.606 177.944 176.300 0.063 0.000 1.123 494 R CA 0.902 57.029 56.100 0.044 0.000 0.975 494 R CB 0.041 30.386 30.300 0.076 0.000 0.866 494 R HN 0.000 nan 8.270 nan 0.000 0.446 495 K N -0.415 120.018 120.400 0.055 0.000 2.505 495 K HA 0.105 4.426 4.320 0.002 0.000 0.192 495 K C 0.860 177.397 176.600 -0.105 0.000 1.025 495 K CA 0.765 57.059 56.287 0.010 0.000 1.086 495 K CB 0.792 33.328 32.500 0.060 0.000 0.840 495 K HN 0.419 nan 8.250 nan 0.000 0.514 496 G N 1.402 110.184 108.800 -0.031 0.000 2.143 496 G HA2 -0.266 3.695 3.960 0.002 0.000 0.249 496 G HA3 -0.266 3.695 3.960 0.002 0.000 0.249 496 G C -0.038 174.821 174.900 -0.068 0.000 0.981 496 G CA -0.374 44.703 45.100 -0.038 0.000 0.665 496 G HN 0.215 nan 8.290 nan 0.000 0.528 497 F N 1.665 121.609 119.950 -0.011 0.000 2.529 497 F HA 0.522 5.050 4.527 0.002 0.000 0.365 497 F C 1.156 176.943 175.800 -0.022 0.000 1.102 497 F CA 0.413 58.407 58.000 -0.009 0.000 1.271 497 F CB 0.842 39.809 39.000 -0.055 0.000 1.120 497 F HN 0.357 nan 8.300 nan 0.000 0.579 498 A N 2.963 125.912 122.820 0.216 0.000 2.322 498 A HA 0.211 4.532 4.320 0.002 0.000 0.269 498 A C 1.072 178.717 177.584 0.101 0.000 1.094 498 A CA -0.668 51.447 52.037 0.131 0.000 0.807 498 A CB 0.267 19.334 19.000 0.111 0.000 1.047 498 A HN 0.774 nan 8.150 nan 0.000 0.487 499 D N 1.591 122.028 120.400 0.062 0.000 2.149 499 D HA -0.138 4.503 4.640 0.002 0.000 0.198 499 D C 2.108 178.425 176.300 0.028 0.000 0.990 499 D CA 1.882 55.899 54.000 0.028 0.000 0.839 499 D CB -0.271 40.544 40.800 0.024 0.000 0.948 499 D HN 0.638 nan 8.370 nan 0.000 0.460 500 A N 0.739 123.586 122.820 0.045 0.000 1.930 500 A HA -0.169 4.152 4.320 0.002 0.000 0.217 500 A C 2.212 179.827 177.584 0.051 0.000 1.175 500 A CA 1.627 53.689 52.037 0.041 0.000 0.627 500 A CB -0.344 18.681 19.000 0.041 0.000 0.815 500 A HN 0.077 nan 8.150 nan 0.000 0.443 501 R N -0.023 120.529 120.500 0.088 0.000 2.090 501 R HA 0.082 4.423 4.340 0.002 0.000 0.228 501 R C 1.872 178.210 176.300 0.063 0.000 1.110 501 R CA 1.253 57.423 56.100 0.116 0.000 0.973 501 R CB -0.672 29.764 30.300 0.227 0.000 0.869 501 R HN 0.510 nan 8.270 nan 0.000 0.440 502 L N -0.174 121.062 121.223 0.021 0.000 2.046 502 L HA -0.106 4.235 4.340 0.002 0.000 0.208 502 L C 2.499 179.343 176.870 -0.043 0.000 1.077 502 L CA 1.412 56.210 54.840 -0.070 0.000 0.747 502 L CB -0.754 41.240 42.059 -0.109 0.000 0.896 502 L HN 0.318 nan 8.230 nan 0.000 0.432 503 A N 0.209 123.018 122.820 -0.018 0.000 1.883 503 A HA -0.231 4.090 4.320 0.002 0.000 0.217 503 A C 2.350 179.932 177.584 -0.004 0.000 1.186 503 A CA 1.764 53.793 52.037 -0.013 0.000 0.624 503 A CB -0.394 18.603 19.000 -0.005 0.000 0.822 503 A HN 0.314 nan 8.150 nan 0.000 0.444 504 K N -0.556 119.849 120.400 0.008 0.000 2.032 504 K HA -0.113 4.208 4.320 0.002 0.000 0.209 504 K C 1.889 178.496 176.600 0.011 0.000 1.048 504 K CA 1.576 57.871 56.287 0.014 0.000 0.927 504 K CB -0.449 32.068 32.500 0.029 0.000 0.712 504 K HN 0.483 nan 8.250 nan 0.000 0.441 505 L N 0.231 121.457 121.223 0.006 0.000 2.083 505 L HA -0.152 4.189 4.340 0.002 0.000 0.209 505 L C 2.329 179.196 176.870 -0.005 0.000 1.083 505 L CA 1.175 56.015 54.840 -0.000 0.000 0.752 505 L CB -0.351 41.694 42.059 -0.024 0.000 0.899 505 L HN 0.173 nan 8.230 nan 0.000 0.433 506 A N -0.503 122.309 122.820 -0.014 0.000 2.218 506 A HA 0.297 4.618 4.320 0.002 0.000 0.209 506 A C 1.625 179.208 177.584 -0.003 0.000 1.168 506 A CA 0.573 52.605 52.037 -0.008 0.000 0.804 506 A CB -0.501 18.488 19.000 -0.017 0.000 0.834 506 A HN 0.470 nan 8.150 nan 0.000 0.482 507 G N -0.434 108.365 108.800 -0.002 0.000 2.295 507 G HA2 -0.051 3.910 3.960 0.002 0.000 0.287 507 G HA3 -0.051 3.910 3.960 0.002 0.000 0.287 507 G C 0.269 175.167 174.900 -0.003 0.000 1.055 507 G CA 0.926 46.026 45.100 0.000 0.000 0.922 507 G HN 1.814 nan 8.290 nan 0.000 0.503 508 V N -4.376 115.534 119.914 -0.006 0.000 3.119 508 V HA 0.911 5.032 4.120 0.002 0.000 0.311 508 V C 0.445 176.534 176.094 -0.008 0.000 1.259 508 V CA -1.870 60.425 62.300 -0.009 0.000 1.067 508 V CB 1.374 33.188 31.823 -0.014 0.000 1.123 508 V HN 0.356 nan 8.190 nan 0.000 0.463 509 R N 0.038 120.532 120.500 -0.010 0.000 2.500 509 R HA 0.352 4.693 4.340 0.002 0.000 0.277 509 R C 1.243 177.538 176.300 -0.010 0.000 1.026 509 R CA 0.101 56.196 56.100 -0.008 0.000 1.058 509 R CB 1.135 31.430 30.300 -0.008 0.000 1.078 509 R HN 0.973 nan 8.270 nan 0.000 0.509 510 E N 2.094 122.292 120.200 -0.004 0.000 2.097 510 E HA -0.283 4.068 4.350 0.002 0.000 0.196 510 E C 1.479 178.075 176.600 -0.006 0.000 1.000 510 E CA 1.833 58.232 56.400 -0.002 0.000 0.804 510 E CB 0.020 29.724 29.700 0.006 0.000 0.740 510 E HN 0.737 nan 8.360 nan 0.000 0.454 511 A N 0.646 123.463 122.820 -0.006 0.000 2.019 511 A HA -0.222 4.099 4.320 0.002 0.000 0.219 511 A C 1.972 179.545 177.584 -0.019 0.000 1.164 511 A CA 1.576 53.609 52.037 -0.008 0.000 0.644 511 A CB -0.471 18.525 19.000 -0.006 0.000 0.805 511 A HN 0.434 nan 8.150 nan 0.000 0.449 512 E N -0.181 120.004 120.200 -0.024 0.000 2.047 512 E HA -0.150 4.201 4.350 0.002 0.000 0.191 512 E C 1.831 178.397 176.600 -0.057 0.000 0.987 512 E CA 1.213 57.590 56.400 -0.038 0.000 0.799 512 E CB -0.113 29.567 29.700 -0.033 0.000 0.752 512 E HN 0.531 nan 8.360 nan 0.000 0.449 513 I N 0.930 121.470 120.570 -0.049 0.000 2.163 513 I HA -0.285 3.886 4.170 0.002 0.000 0.243 513 I C 2.613 178.691 176.117 -0.066 0.000 1.085 513 I CA 1.428 62.690 61.300 -0.063 0.000 1.347 513 I CB -1.243 36.729 38.000 -0.047 0.000 1.044 513 I HN 0.183 nan 8.210 nan 0.000 0.408 514 R N 1.305 121.785 120.500 -0.034 0.000 2.094 514 R HA -0.216 4.125 4.340 0.002 0.000 0.239 514 R C 2.379 178.657 176.300 -0.035 0.000 1.137 514 R CA 1.889 57.980 56.100 -0.014 0.000 0.943 514 R CB -0.135 30.172 30.300 0.012 0.000 0.850 514 R HN 0.243 nan 8.270 nan 0.000 0.433 515 K N -0.011 120.361 120.400 -0.047 0.000 2.063 515 K HA -0.188 4.133 4.320 0.002 0.000 0.208 515 K C 2.057 178.576 176.600 -0.135 0.000 1.048 515 K CA 1.508 57.758 56.287 -0.062 0.000 0.928 515 K CB -0.283 32.182 32.500 -0.058 0.000 0.713 515 K HN 0.100 nan 8.250 nan 0.000 0.442 516 L N 1.610 122.717 121.223 -0.194 0.000 2.013 516 L HA -0.241 4.100 4.340 0.002 0.000 0.212 516 L C 2.143 178.718 176.870 -0.491 0.000 1.073 516 L CA 1.736 56.343 54.840 -0.389 0.000 0.753 516 L CB -0.258 41.611 42.059 -0.317 0.000 0.890 516 L HN 0.094 nan 8.230 nan 0.000 0.432 517 R N -0.712 119.645 120.500 -0.239 0.000 2.096 517 R HA -0.147 4.194 4.340 0.002 0.000 0.235 517 R C 1.971 178.159 176.300 -0.186 0.000 1.127 517 R CA 1.484 57.483 56.100 -0.168 0.000 0.968 517 R CB -0.484 29.737 30.300 -0.131 0.000 0.861 517 R HN 0.533 nan 8.270 nan 0.000 0.440 518 D N 0.314 120.656 120.400 -0.097 0.000 2.117 518 D HA -0.168 4.473 4.640 0.002 0.000 0.198 518 D C 1.885 178.207 176.300 0.036 0.000 0.982 518 D CA 1.011 55.044 54.000 0.056 0.000 0.828 518 D CB 0.020 40.876 40.800 0.093 0.000 0.967 518 D HN 0.285 nan 8.370 nan 0.000 0.464 519 Q N -0.391 119.362 119.800 -0.079 0.000 2.061 519 Q HA -0.184 4.157 4.340 0.002 0.000 0.204 519 Q C 1.751 177.801 176.000 0.084 0.000 0.984 519 Q CA 1.192 56.958 55.803 -0.061 0.000 0.846 519 Q CB -0.003 28.575 28.738 -0.267 0.000 0.902 519 Q HN 0.355 nan 8.270 nan 0.000 0.421 520 Y N 0.256 120.554 120.300 -0.004 0.000 2.583 520 Y HA -0.034 4.517 4.550 0.002 0.000 0.293 520 Y C 0.456 176.358 175.900 0.004 0.000 1.157 520 Y CA 0.823 58.920 58.100 -0.005 0.000 1.315 520 Y CB -0.221 38.222 38.460 -0.028 0.000 1.021 520 Y HN 0.258 nan 8.280 nan 0.000 0.536 521 D N -0.697 119.800 120.400 0.162 0.000 2.835 521 D HA -0.196 4.445 4.640 0.002 0.000 0.230 521 D C -0.761 175.581 176.300 0.070 0.000 1.130 521 D CA 0.198 54.293 54.000 0.159 0.000 0.738 521 D CB -1.368 39.537 40.800 0.175 0.000 1.090 521 D HN 0.158 nan 8.370 nan 0.000 0.433 522 L N 2.533 123.687 121.223 -0.116 0.000 2.352 522 L HA 0.392 4.733 4.340 0.002 0.000 0.272 522 L C -0.554 176.140 176.870 -0.293 0.000 1.109 522 L CA -0.227 54.574 54.840 -0.065 0.000 0.952 522 L CB 0.287 42.379 42.059 0.056 0.000 1.314 522 L HN 0.122 nan 8.230 nan 0.000 0.427 523 H N 3.816 123.012 119.070 0.211 0.000 2.731 523 H HA 0.618 5.175 4.556 0.002 0.000 0.368 523 H C -2.487 172.683 175.328 -0.264 0.000 1.168 523 H CA -1.891 54.206 56.048 0.083 0.000 1.181 523 H CB 1.625 31.403 29.762 0.026 0.000 1.743 523 H HN 0.328 nan 8.280 nan 0.000 0.547 524 P HA 0.123 nan 4.420 nan 0.000 0.278 524 P C -0.243 176.709 177.300 -0.579 0.000 1.258 524 P CA -0.503 61.961 63.100 -1.061 0.000 0.811 524 P CB 1.273 32.390 31.700 -0.971 0.000 1.063 525 V N -1.636 117.943 119.914 -0.558 0.000 2.994 525 V HA 0.569 4.690 4.120 0.002 0.000 0.318 525 V C -1.088 174.662 176.094 -0.573 0.000 1.085 525 V CA -0.948 61.138 62.300 -0.356 0.000 0.998 525 V CB 1.169 32.894 31.823 -0.163 0.000 1.063 525 V HN 0.313 nan 8.190 nan 0.000 0.447 526 Y N 1.368 121.600 120.300 -0.112 0.000 2.335 526 Y HA 0.681 5.232 4.550 0.002 0.000 0.338 526 Y C 0.426 176.159 175.900 -0.279 0.000 0.977 526 Y CA -0.741 57.262 58.100 -0.162 0.000 1.114 526 Y CB 1.704 40.165 38.460 0.002 0.000 1.182 526 Y HN 0.512 nan 8.280 nan 0.000 0.463 527 K N 3.312 123.424 120.400 -0.480 0.000 2.123 527 K HA 0.560 4.881 4.320 0.002 0.000 0.248 527 K C -0.313 176.022 176.600 -0.443 0.000 0.969 527 K CA -0.860 55.128 56.287 -0.497 0.000 0.882 527 K CB 1.640 33.760 32.500 -0.634 0.000 1.080 527 K HN 0.697 nan 8.250 nan 0.000 0.441 528 R N 0.284 120.670 120.500 -0.190 0.000 2.604 528 R HA 0.426 4.767 4.340 0.002 0.000 0.287 528 R C -0.377 175.914 176.300 -0.015 0.000 0.970 528 R CA -0.992 55.046 56.100 -0.104 0.000 0.946 528 R CB 1.525 31.799 30.300 -0.044 0.000 1.127 528 R HN 0.209 nan 8.270 nan 0.000 0.473 529 V N 2.423 122.273 119.914 -0.106 0.000 2.583 529 V HA 0.032 4.153 4.120 0.002 0.000 0.287 529 V C 0.250 176.376 176.094 0.054 0.000 1.051 529 V CA 0.461 62.710 62.300 -0.086 0.000 1.010 529 V CB 1.271 32.745 31.823 -0.582 0.000 0.988 529 V HN 0.982 nan 8.190 nan 0.000 0.478 530 D N 0.375 120.866 120.400 0.152 0.000 2.480 530 D HA 0.043 4.684 4.640 0.002 0.000 0.276 530 D C 0.880 177.305 176.300 0.208 0.000 1.294 530 D CA 0.757 54.842 54.000 0.142 0.000 0.829 530 D CB 0.035 40.908 40.800 0.122 0.000 1.242 530 D HN 0.780 nan 8.370 nan 0.000 0.513 531 T N -1.948 112.764 114.554 0.263 0.000 8.466 531 T HA -0.361 3.990 4.350 0.002 0.000 0.319 531 T C 1.090 176.012 174.700 0.371 0.000 2.022 531 T CA 1.466 63.778 62.100 0.353 0.000 3.147 531 T CB -2.868 66.321 68.868 0.534 0.000 2.153 531 T HN 0.920 nan 8.240 nan 0.000 1.109 532 C N 0.748 120.213 119.300 0.274 0.000 3.098 532 C HA 0.897 5.358 4.460 0.002 0.000 0.265 532 C C 1.708 176.749 174.990 0.085 0.000 1.572 532 C CA -0.390 58.770 59.018 0.236 0.000 1.788 532 C CB -0.557 27.355 27.740 0.288 0.000 2.982 532 C HN 2.205 nan 8.230 nan 0.000 0.532 533 A N 0.158 123.017 122.820 0.066 0.000 2.783 533 A HA 0.226 4.547 4.320 0.002 0.000 0.292 533 A C 1.587 179.167 177.584 -0.007 0.000 1.495 533 A CA 1.595 53.640 52.037 0.013 0.000 0.787 533 A CB -1.829 17.155 19.000 -0.027 0.000 1.017 533 A HN 2.814 nan 8.150 nan 0.000 0.516 534 A N -2.355 120.470 122.820 0.008 0.000 3.172 534 A HA -0.308 4.013 4.320 0.002 0.000 0.263 534 A C 1.148 178.647 177.584 -0.141 0.000 1.215 534 A CA 2.208 54.229 52.037 -0.028 0.000 1.065 534 A CB -2.287 16.707 19.000 -0.009 0.000 1.148 534 A HN 1.961 nan 8.150 nan 0.000 0.904 535 E N -1.572 118.469 120.200 -0.266 0.000 2.268 535 E HA 0.120 4.471 4.350 0.002 0.000 0.195 535 E C 0.189 176.163 176.600 -1.042 0.000 0.995 535 E CA 0.941 56.960 56.400 -0.635 0.000 0.836 535 E CB -0.012 29.231 29.700 -0.762 0.000 0.763 535 E HN 0.756 nan 8.360 nan 0.000 0.491 536 F N -0.787 119.154 119.950 -0.015 0.000 2.599 536 F HA 0.548 5.076 4.527 0.002 0.000 0.311 536 F C 0.140 175.927 175.800 -0.022 0.000 1.076 536 F CA -1.175 56.807 58.000 -0.030 0.000 0.937 536 F CB 1.434 40.396 39.000 -0.063 0.000 1.282 536 F HN -0.173 nan 8.300 nan 0.000 0.460 537 A N 0.845 123.771 122.820 0.177 0.000 2.346 537 A HA 0.594 4.915 4.320 0.002 0.000 0.252 537 A C -0.128 177.501 177.584 0.074 0.000 1.089 537 A CA -0.080 52.011 52.037 0.089 0.000 0.797 537 A CB 0.640 19.674 19.000 0.055 0.000 1.047 537 A HN 0.712 nan 8.150 nan 0.000 0.494 538 T N -1.181 113.396 114.554 0.038 0.000 2.893 538 T HA 0.460 4.811 4.350 0.002 0.000 0.293 538 T C -0.571 174.126 174.700 -0.005 0.000 1.027 538 T CA -0.545 61.562 62.100 0.012 0.000 0.988 538 T CB 1.318 70.195 68.868 0.014 0.000 1.043 538 T HN 0.475 nan 8.240 nan 0.000 0.461 539 D N 2.191 122.579 120.400 -0.021 0.000 2.398 539 D HA 0.214 4.855 4.640 0.002 0.000 0.210 539 D C 0.213 176.497 176.300 -0.027 0.000 1.094 539 D CA 0.276 54.264 54.000 -0.020 0.000 0.839 539 D CB 0.667 41.456 40.800 -0.018 0.000 0.963 539 D HN 0.529 nan 8.370 nan 0.000 0.506 540 T N 0.374 114.901 114.554 -0.045 0.000 2.882 540 T HA 0.579 4.930 4.350 0.002 0.000 0.287 540 T C 0.103 174.795 174.700 -0.013 0.000 0.992 540 T CA -0.545 61.523 62.100 -0.053 0.000 1.076 540 T CB 2.021 70.792 68.868 -0.162 0.000 0.961 540 T HN -0.050 nan 8.240 nan 0.000 0.490 541 A N 3.345 126.168 122.820 0.005 0.000 2.654 541 A HA 0.473 4.794 4.320 0.002 0.000 0.345 541 A C -1.032 176.583 177.584 0.052 0.000 1.368 541 A CA -0.514 51.516 52.037 -0.011 0.000 0.895 541 A CB -0.164 18.795 19.000 -0.068 0.000 1.143 541 A HN 0.719 nan 8.150 nan 0.000 0.490 542 Y N 3.747 124.006 120.300 -0.069 0.000 2.464 542 Y HA 0.703 5.254 4.550 0.002 0.000 0.326 542 Y C -0.718 175.170 175.900 -0.020 0.000 0.969 542 Y CA -1.882 56.218 58.100 0.000 0.000 1.270 542 Y CB 0.736 39.240 38.460 0.074 0.000 1.103 542 Y HN 0.631 nan 8.280 nan 0.000 0.491 543 M N 6.689 126.355 119.600 0.110 0.000 2.690 543 M HA 0.564 5.045 4.480 0.002 0.000 0.302 543 M C -1.556 174.873 176.300 0.215 0.000 1.234 543 M CA -1.157 54.132 55.300 -0.019 0.000 0.853 543 M CB 2.907 35.398 32.600 -0.182 0.000 1.748 543 M HN 0.465 nan 8.290 nan 0.000 0.469 544 Y N -1.539 118.846 120.300 0.142 0.000 2.545 544 Y HA 0.851 5.402 4.550 0.002 0.000 0.348 544 Y C -0.443 175.584 175.900 0.212 0.000 1.002 544 Y CA -1.348 56.873 58.100 0.201 0.000 1.039 544 Y CB 0.943 39.396 38.460 -0.012 0.000 1.271 544 Y HN 0.765 nan 8.280 nan 0.000 0.467 545 S N 1.203 117.040 115.700 0.229 0.000 2.632 545 S HA 0.789 5.260 4.470 0.002 0.000 0.271 545 S C -0.339 174.212 174.600 -0.082 0.000 1.260 545 S CA -0.003 58.036 58.200 -0.267 0.000 1.010 545 S CB 1.658 64.670 63.200 -0.314 0.000 0.965 545 S HN 1.108 nan 8.310 nan 0.000 0.534 546 T N 0.408 114.801 114.554 -0.268 0.000 2.827 546 T HA 0.377 4.728 4.350 0.002 0.000 0.328 546 T C -2.233 172.314 174.700 -0.256 0.000 1.598 546 T CA -0.571 61.485 62.100 -0.072 0.000 1.043 546 T CB 0.621 69.546 68.868 0.095 0.000 1.447 546 T HN 0.583 nan 8.240 nan 0.000 0.491 547 Y N 2.467 122.762 120.300 -0.008 0.000 2.751 547 Y HA 0.563 5.114 4.550 0.002 0.000 0.333 547 Y C 0.813 176.717 175.900 0.007 0.000 1.122 547 Y CA -0.125 57.971 58.100 -0.008 0.000 1.367 547 Y CB 0.632 39.098 38.460 0.009 0.000 1.242 547 Y HN 0.597 nan 8.280 nan 0.000 0.505 548 E N 0.036 120.247 120.200 0.017 0.000 2.431 548 E HA 0.258 4.609 4.350 0.002 0.000 0.240 548 E C 0.474 177.084 176.600 0.016 0.000 0.867 548 E CA -0.578 55.844 56.400 0.037 0.000 0.888 548 E CB 1.244 30.966 29.700 0.036 0.000 1.739 548 E HN 0.271 nan 8.360 nan 0.000 0.413 549 E N 0.737 120.948 120.200 0.017 0.000 2.038 549 E HA 0.008 4.359 4.350 0.002 0.000 0.190 549 E C -0.171 176.432 176.600 0.005 0.000 0.967 549 E CA 0.538 56.948 56.400 0.017 0.000 0.816 549 E CB 0.147 29.861 29.700 0.022 0.000 0.784 549 E HN 0.373 nan 8.360 nan 0.000 0.456 550 E N 0.527 120.728 120.200 0.001 0.000 2.289 550 E HA 0.101 4.452 4.350 0.002 0.000 0.278 550 E C -1.079 175.513 176.600 -0.014 0.000 1.032 550 E CA -0.217 56.183 56.400 -0.001 0.000 0.854 550 E CB 1.001 30.702 29.700 0.003 0.000 1.046 550 E HN 0.069 nan 8.360 nan 0.000 0.409 551 C N 4.464 123.765 119.300 0.002 0.000 2.341 551 C HA 0.340 4.801 4.460 0.002 0.000 0.338 551 C C 0.460 175.466 174.990 0.026 0.000 1.257 551 C CA -0.301 58.727 59.018 0.017 0.000 1.883 551 C CB 0.138 27.910 27.740 0.053 0.000 2.334 551 C HN 0.932 nan 8.230 nan 0.000 0.524 552 E N 3.040 123.256 120.200 0.028 0.000 2.548 552 E HA 0.154 4.505 4.350 0.002 0.000 0.206 552 E C 1.496 178.112 176.600 0.026 0.000 1.005 552 E CA 0.260 56.668 56.400 0.014 0.000 0.951 552 E CB 0.499 30.189 29.700 -0.017 0.000 1.035 552 E HN 0.800 nan 8.360 nan 0.000 0.470 553 A N 2.171 125.036 122.820 0.076 0.000 1.877 553 A HA -0.214 4.107 4.320 0.002 0.000 0.216 553 A C 0.876 178.471 177.584 0.019 0.000 1.186 553 A CA 0.862 52.927 52.037 0.047 0.000 0.620 553 A CB -0.394 18.657 19.000 0.085 0.000 0.822 553 A HN 0.327 nan 8.150 nan 0.000 0.443 554 N N -0.548 118.170 118.700 0.029 0.000 2.686 554 N HA -0.115 4.626 4.740 0.002 0.000 0.261 554 N C -2.467 173.052 175.510 0.015 0.000 1.001 554 N CA 1.192 54.253 53.050 0.018 0.000 0.764 554 N CB -1.809 36.684 38.487 0.010 0.000 0.898 554 N HN 0.436 nan 8.380 nan 0.000 0.544 555 P HA 0.080 nan 4.420 nan 0.000 0.269 555 P C 0.128 177.438 177.300 0.016 0.000 1.217 555 P CA -0.035 63.078 63.100 0.022 0.000 0.783 555 P CB 0.501 32.214 31.700 0.022 0.000 0.898 556 S N -0.660 115.050 115.700 0.017 0.000 2.610 556 S HA 0.390 4.861 4.470 0.002 0.000 0.273 556 S C 0.956 175.564 174.600 0.012 0.000 1.274 556 S CA -0.208 58.000 58.200 0.013 0.000 1.023 556 S CB 0.587 63.795 63.200 0.014 0.000 0.962 556 S HN 0.617 nan 8.310 nan 0.000 0.523 557 T N -2.557 112.002 114.554 0.009 0.000 2.971 557 T HA 0.111 4.462 4.350 0.002 0.000 0.252 557 T C 0.984 175.688 174.700 0.006 0.000 1.022 557 T CA 0.112 62.216 62.100 0.007 0.000 0.980 557 T CB -0.231 68.640 68.868 0.005 0.000 1.044 557 T HN 0.493 nan 8.240 nan 0.000 0.501 558 D N 2.858 123.261 120.400 0.005 0.000 2.157 558 D HA -0.071 4.570 4.640 0.002 0.000 0.197 558 D C 1.133 177.434 176.300 0.001 0.000 0.995 558 D CA 1.214 55.215 54.000 0.002 0.000 0.860 558 D CB 0.099 40.901 40.800 0.003 0.000 1.016 558 D HN 0.498 nan 8.370 nan 0.000 0.452 559 R N 0.222 120.727 120.500 0.007 0.000 2.608 559 R HA 0.462 4.803 4.340 0.002 0.000 0.255 559 R C 0.032 176.351 176.300 0.031 0.000 1.086 559 R CA -0.644 55.461 56.100 0.008 0.000 1.125 559 R CB 0.386 30.689 30.300 0.006 0.000 1.193 559 R HN 0.121 nan 8.270 nan 0.000 0.553 560 E N 1.700 121.928 120.200 0.046 0.000 2.223 560 E HA 0.119 4.470 4.350 0.002 0.000 0.282 560 E C -0.817 175.901 176.600 0.196 0.000 1.046 560 E CA -0.181 56.289 56.400 0.116 0.000 0.857 560 E CB 0.907 30.701 29.700 0.158 0.000 1.055 560 E HN 0.222 nan 8.360 nan 0.000 0.409 561 K N 2.973 123.451 120.400 0.131 0.000 2.123 561 K HA 0.512 4.833 4.320 0.002 0.000 0.259 561 K C -0.323 176.305 176.600 0.047 0.000 0.960 561 K CA -0.621 55.727 56.287 0.101 0.000 0.872 561 K CB 1.545 34.078 32.500 0.055 0.000 1.079 561 K HN 0.349 nan 8.250 nan 0.000 0.440 562 I N 2.943 123.515 120.570 0.003 0.000 2.466 562 I HA 0.290 4.461 4.170 0.002 0.000 0.289 562 I C -0.765 175.315 176.117 -0.061 0.000 1.026 562 I CA -0.593 60.649 61.300 -0.096 0.000 1.078 562 I CB 1.729 39.575 38.000 -0.257 0.000 1.249 562 I HN 0.650 nan 8.210 nan 0.000 0.429 563 M N 6.496 126.054 119.600 -0.070 0.000 2.180 563 M HA 0.488 4.969 4.480 0.002 0.000 0.350 563 M C -1.266 174.991 176.300 -0.072 0.000 1.125 563 M CA -0.557 54.712 55.300 -0.052 0.000 1.031 563 M CB 1.476 34.043 32.600 -0.055 0.000 1.623 563 M HN 0.312 nan 8.290 nan 0.000 0.451 564 V N 6.706 126.593 119.914 -0.045 0.000 2.378 564 V HA 0.400 4.521 4.120 0.002 0.000 0.288 564 V C -0.378 175.706 176.094 -0.018 0.000 1.016 564 V CA -0.728 61.545 62.300 -0.044 0.000 0.840 564 V CB 1.311 33.123 31.823 -0.017 0.000 0.994 564 V HN 0.769 nan 8.190 nan 0.000 0.431 565 L N 4.612 125.821 121.223 -0.023 0.000 2.276 565 L HA 0.627 4.968 4.340 0.002 0.000 0.286 565 L C 1.172 178.045 176.870 0.005 0.000 1.061 565 L CA -0.106 54.725 54.840 -0.015 0.000 0.807 565 L CB 1.116 43.159 42.059 -0.026 0.000 1.177 565 L HN 0.771 nan 8.230 nan 0.000 0.429 566 G N 1.503 110.299 108.800 -0.007 0.000 2.653 566 G HA2 0.322 4.283 3.960 0.002 0.000 0.265 566 G HA3 0.322 4.283 3.960 0.002 0.000 0.265 566 G C 0.842 175.735 174.900 -0.013 0.000 1.237 566 G CA 0.059 45.156 45.100 -0.004 0.000 0.946 566 G HN 0.797 nan 8.290 nan 0.000 0.522 567 G N -1.685 107.111 108.800 -0.008 0.000 3.088 567 G HA2 0.507 4.468 3.960 0.002 0.000 0.217 567 G HA3 0.507 4.468 3.960 0.002 0.000 0.217 567 G C 1.016 175.891 174.900 -0.042 0.000 1.159 567 G CA 0.848 45.930 45.100 -0.030 0.000 0.760 567 G HN 1.857 nan 8.290 nan 0.000 0.550 568 G N 0.687 109.457 108.800 -0.050 0.000 2.553 568 G HA2 -0.175 3.786 3.960 0.002 0.000 0.242 568 G HA3 -0.175 3.786 3.960 0.002 0.000 0.242 568 G C -2.445 172.429 174.900 -0.042 0.000 1.277 568 G CA -0.305 44.763 45.100 -0.054 0.000 0.910 568 G HN 0.355 nan 8.290 nan 0.000 0.576 569 P HA 0.194 nan 4.420 nan 0.000 0.269 569 P C -0.157 177.130 177.300 -0.022 0.000 1.209 569 P CA 0.058 63.141 63.100 -0.029 0.000 0.776 569 P CB 0.176 31.860 31.700 -0.027 0.000 0.876 570 N N 1.928 120.617 118.700 -0.019 0.000 2.530 570 N HA 0.435 5.176 4.740 0.002 0.000 0.277 570 N C -0.030 175.471 175.510 -0.015 0.000 1.168 570 N CA -0.325 52.725 53.050 0.000 0.000 0.979 570 N CB 0.503 38.995 38.487 0.008 0.000 1.141 570 N HN 0.317 nan 8.380 nan 0.000 0.459 571 R N 0.397 120.898 120.500 0.001 0.000 2.781 571 R HA 0.464 4.805 4.340 0.002 0.000 0.269 571 R C -0.943 175.365 176.300 0.013 0.000 1.025 571 R CA -0.839 55.260 56.100 -0.003 0.000 0.914 571 R CB 0.589 30.882 30.300 -0.011 0.000 1.236 571 R HN 0.413 nan 8.270 nan 0.000 0.465 572 I N 1.958 122.535 120.570 0.011 0.000 2.741 572 I HA 0.115 4.286 4.170 0.002 0.000 0.288 572 I C 1.172 177.284 176.117 -0.008 0.000 1.192 572 I CA 1.905 63.208 61.300 0.005 0.000 1.426 572 I CB 0.317 38.321 38.000 0.007 0.000 1.367 572 I HN 0.973 nan 8.210 nan 0.000 0.563 573 G N 4.751 113.564 108.800 0.022 0.000 2.217 573 G HA2 -0.216 3.745 3.960 0.002 0.000 0.246 573 G HA3 -0.216 3.745 3.960 0.002 0.000 0.246 573 G C 0.354 175.376 174.900 0.203 0.000 0.990 573 G CA -0.364 44.775 45.100 0.064 0.000 0.627 573 G HN 0.543 nan 8.290 nan 0.000 0.522 574 Q N 0.995 120.893 119.800 0.164 0.000 2.831 574 Q HA 0.503 4.844 4.340 0.002 0.000 0.366 574 Q C 0.812 176.974 176.000 0.270 0.000 0.899 574 Q CA 0.355 56.277 55.803 0.199 0.000 0.987 574 Q CB 0.772 29.490 28.738 -0.032 0.000 1.382 574 Q HN 0.561 nan 8.270 nan 0.000 0.403 575 G N 0.146 109.141 108.800 0.325 0.000 2.543 575 G HA2 0.280 4.241 3.960 0.002 0.000 0.267 575 G HA3 0.280 4.241 3.960 0.002 0.000 0.267 575 G C 0.826 175.809 174.900 0.139 0.000 1.406 575 G CA -0.560 44.632 45.100 0.153 0.000 1.048 575 G HN 0.436 nan 8.290 nan 0.000 0.548 576 I N -0.230 120.364 120.570 0.041 0.000 2.423 576 I HA -0.161 4.010 4.170 0.002 0.000 0.254 576 I C 2.565 178.672 176.117 -0.018 0.000 1.151 576 I CA 1.436 62.755 61.300 0.032 0.000 1.421 576 I CB -0.041 37.971 38.000 0.021 0.000 1.079 576 I HN 0.551 nan 8.210 nan 0.000 0.431 577 E N 0.738 120.833 120.200 -0.175 0.000 2.070 577 E HA -0.264 4.087 4.350 0.002 0.000 0.197 577 E C 1.830 178.211 176.600 -0.366 0.000 1.004 577 E CA 1.927 58.107 56.400 -0.367 0.000 0.805 577 E CB -0.510 28.832 29.700 -0.597 0.000 0.744 577 E HN 0.528 nan 8.360 nan 0.000 0.451 578 F N 0.506 120.461 119.950 0.008 0.000 2.259 578 F HA -0.050 4.478 4.527 0.002 0.000 0.298 578 F C 2.045 177.868 175.800 0.038 0.000 1.088 578 F CA 1.106 59.113 58.000 0.012 0.000 1.358 578 F CB -0.509 38.499 39.000 0.013 0.000 1.040 578 F HN -0.016 nan 8.300 nan 0.000 0.505 579 D N -0.870 119.641 120.400 0.186 0.000 2.144 579 D HA -0.256 4.385 4.640 0.002 0.000 0.199 579 D C 2.131 178.496 176.300 0.109 0.000 0.984 579 D CA 1.000 55.080 54.000 0.133 0.000 0.834 579 D CB -0.267 40.590 40.800 0.096 0.000 0.955 579 D HN 0.308 nan 8.370 nan 0.000 0.465 580 Y N 0.396 120.660 120.300 -0.059 0.000 2.128 580 Y HA -0.279 4.272 4.550 0.002 0.000 0.284 580 Y C 2.250 178.038 175.900 -0.187 0.000 1.154 580 Y CA 1.570 59.588 58.100 -0.138 0.000 1.149 580 Y CB -0.527 37.809 38.460 -0.208 0.000 0.976 580 Y HN 0.121 nan 8.280 nan 0.000 0.505 581 C N -0.541 118.761 119.300 0.004 0.000 2.413 581 C HA -0.259 4.202 4.460 0.002 0.000 0.277 581 C C 2.979 178.017 174.990 0.079 0.000 1.228 581 C CA 1.152 60.089 59.018 -0.135 0.000 1.731 581 C CB -1.677 25.879 27.740 -0.306 0.000 2.042 581 C HN 0.809 nan 8.230 nan 0.000 0.468 582 C N 0.323 119.728 119.300 0.175 0.000 2.385 582 C HA -0.136 4.325 4.460 0.002 0.000 0.275 582 C C 2.707 177.789 174.990 0.154 0.000 1.207 582 C CA 1.356 60.515 59.018 0.234 0.000 1.760 582 C CB -1.478 26.357 27.740 0.159 0.000 2.051 582 C HN 0.552 nan 8.230 nan 0.000 0.467 583 V N -0.268 119.691 119.914 0.075 0.000 2.287 583 V HA -0.269 3.852 4.120 0.002 0.000 0.248 583 V C 2.317 178.474 176.094 0.104 0.000 1.053 583 V CA 2.162 64.496 62.300 0.056 0.000 1.027 583 V CB -0.945 30.884 31.823 0.011 0.000 0.646 583 V HN 0.669 nan 8.190 nan 0.000 0.447 584 H N -0.391 118.605 119.070 -0.122 0.000 2.353 584 H HA -0.127 4.430 4.556 0.002 0.000 0.300 584 H C 2.373 177.718 175.328 0.030 0.000 1.090 584 H CA 1.153 57.141 56.048 -0.100 0.000 1.327 584 H CB 0.029 29.689 29.762 -0.169 0.000 1.383 584 H HN 0.477 nan 8.280 nan 0.000 0.508 585 A N 0.373 123.353 122.820 0.267 0.000 1.892 585 A HA -0.241 4.080 4.320 0.002 0.000 0.218 585 A C 2.580 180.205 177.584 0.069 0.000 1.188 585 A CA 2.041 54.195 52.037 0.195 0.000 0.631 585 A CB -0.808 18.298 19.000 0.177 0.000 0.822 585 A HN 0.407 nan 8.150 nan 0.000 0.447 586 S N -0.603 115.136 115.700 0.065 0.000 2.368 586 S HA -0.070 4.401 4.470 0.002 0.000 0.224 586 S C 1.945 176.560 174.600 0.025 0.000 1.029 586 S CA 1.332 59.552 58.200 0.034 0.000 0.988 586 S CB -0.534 62.687 63.200 0.035 0.000 0.838 586 S HN 0.468 nan 8.310 nan 0.000 0.462 587 L N 1.214 122.442 121.223 0.008 0.000 2.056 587 L HA 0.001 4.342 4.340 0.002 0.000 0.207 587 L C 3.051 179.908 176.870 -0.021 0.000 1.078 587 L CA 1.257 56.082 54.840 -0.026 0.000 0.749 587 L CB -0.841 41.167 42.059 -0.085 0.000 0.901 587 L HN 0.394 nan 8.230 nan 0.000 0.433 588 A N 0.518 123.325 122.820 -0.022 0.000 1.858 588 A HA -0.147 4.174 4.320 0.002 0.000 0.216 588 A C 2.280 179.894 177.584 0.049 0.000 1.190 588 A CA 1.490 53.527 52.037 0.001 0.000 0.617 588 A CB -0.834 18.175 19.000 0.015 0.000 0.827 588 A HN 0.349 nan 8.150 nan 0.000 0.443 589 L N -1.101 120.156 121.223 0.057 0.000 2.083 589 L HA -0.194 4.147 4.340 0.002 0.000 0.209 589 L C 2.811 179.804 176.870 0.206 0.000 1.083 589 L CA 1.788 56.700 54.840 0.121 0.000 0.752 589 L CB -0.585 41.450 42.059 -0.040 0.000 0.899 589 L HN 0.489 nan 8.230 nan 0.000 0.433 590 R N 0.758 121.325 120.500 0.112 0.000 2.073 590 R HA -0.240 4.101 4.340 0.002 0.000 0.234 590 R C 2.259 178.601 176.300 0.069 0.000 1.134 590 R CA 1.969 58.124 56.100 0.093 0.000 0.952 590 R CB -0.107 30.227 30.300 0.055 0.000 0.850 590 R HN 0.288 nan 8.270 nan 0.000 0.433 591 E N 0.531 120.761 120.200 0.050 0.000 2.118 591 E HA -0.201 4.150 4.350 0.002 0.000 0.195 591 E C 1.089 177.708 176.600 0.033 0.000 0.992 591 E CA 1.932 58.349 56.400 0.029 0.000 0.804 591 E CB -0.122 29.586 29.700 0.013 0.000 0.741 591 E HN 0.308 nan 8.360 nan 0.000 0.458 592 D N -1.283 119.159 120.400 0.069 0.000 2.371 592 D HA 0.042 4.683 4.640 0.002 0.000 0.221 592 D C 1.088 177.379 176.300 -0.015 0.000 0.986 592 D CA 1.138 55.177 54.000 0.066 0.000 0.899 592 D CB 0.317 41.224 40.800 0.177 0.000 0.902 592 D HN 0.422 nan 8.370 nan 0.000 0.530 593 G N -1.083 107.714 108.800 -0.005 0.000 2.195 593 G HA2 -0.275 3.686 3.960 0.002 0.000 0.224 593 G HA3 -0.275 3.686 3.960 0.002 0.000 0.224 593 G C 0.158 174.991 174.900 -0.113 0.000 0.990 593 G CA -0.271 44.777 45.100 -0.086 0.000 0.639 593 G HN 0.294 nan 8.290 nan 0.000 0.514 594 Y N 0.774 121.074 120.300 -0.001 0.000 2.296 594 Y HA 0.495 5.046 4.550 0.002 0.000 0.343 594 Y C 1.052 176.953 175.900 0.002 0.000 1.292 594 Y CA 0.238 58.337 58.100 -0.001 0.000 1.490 594 Y CB 0.518 38.976 38.460 -0.003 0.000 1.359 594 Y HN 0.174 nan 8.280 nan 0.000 0.599 595 E N 1.077 121.395 120.200 0.197 0.000 2.081 595 E HA 0.196 4.547 4.350 0.002 0.000 0.281 595 E C -1.092 175.569 176.600 0.103 0.000 0.986 595 E CA -0.619 55.847 56.400 0.111 0.000 0.796 595 E CB 0.514 30.259 29.700 0.075 0.000 1.085 595 E HN 0.638 nan 8.360 nan 0.000 0.398 596 T N 2.579 117.181 114.554 0.080 0.000 2.799 596 T HA 0.528 4.879 4.350 0.002 0.000 0.286 596 T C 0.126 174.859 174.700 0.054 0.000 0.973 596 T CA -0.708 61.425 62.100 0.055 0.000 1.035 596 T CB 0.521 69.415 68.868 0.045 0.000 0.932 596 T HN 0.335 nan 8.240 nan 0.000 0.469 597 I N 3.540 124.142 120.570 0.052 0.000 2.418 597 I HA 0.390 4.561 4.170 0.002 0.000 0.287 597 I C -0.382 175.780 176.117 0.076 0.000 1.008 597 I CA -1.011 60.341 61.300 0.086 0.000 1.104 597 I CB 1.963 40.029 38.000 0.109 0.000 1.264 597 I HN 0.558 nan 8.210 nan 0.000 0.438 598 M N 7.673 127.325 119.600 0.087 0.000 2.300 598 M HA 0.508 4.989 4.480 0.002 0.000 0.348 598 M C -1.252 175.104 176.300 0.093 0.000 1.151 598 M CA -0.345 54.992 55.300 0.061 0.000 1.046 598 M CB 1.496 34.115 32.600 0.033 0.000 1.647 598 M HN 0.287 nan 8.290 nan 0.000 0.451 599 V N 5.514 125.454 119.914 0.044 0.000 2.380 599 V HA 0.645 4.766 4.120 0.002 0.000 0.286 599 V C -0.702 175.369 176.094 -0.038 0.000 1.015 599 V CA -0.582 61.740 62.300 0.037 0.000 0.834 599 V CB 0.913 32.745 31.823 0.014 0.000 1.009 599 V HN 0.931 nan 8.190 nan 0.000 0.428 600 N N 2.534 121.161 118.700 -0.121 0.000 2.859 600 N HA 0.517 5.258 4.740 0.002 0.000 0.250 600 N C -0.356 174.817 175.510 -0.563 0.000 1.341 600 N CA -0.271 52.637 53.050 -0.237 0.000 0.881 600 N CB 2.091 40.468 38.487 -0.184 0.000 1.516 600 N HN 0.633 nan 8.380 nan 0.000 0.503 601 C N -0.220 118.765 119.300 -0.525 0.000 3.359 601 C HA 0.509 4.970 4.460 0.002 0.000 0.258 601 C C 0.022 174.812 174.990 -0.333 0.000 1.840 601 C CA -1.014 57.542 59.018 -0.770 0.000 1.746 601 C CB -1.514 26.088 27.740 -0.230 0.000 3.306 601 C HN 0.587 nan 8.230 nan 0.000 0.485 602 N N 3.208 121.745 118.700 -0.272 0.000 2.420 602 N HA 0.298 5.039 4.740 0.002 0.000 0.249 602 N C -1.049 174.469 175.510 0.013 0.000 1.033 602 N CA -2.004 51.001 53.050 -0.075 0.000 0.944 602 N CB 1.639 40.080 38.487 -0.076 0.000 1.113 602 N HN 0.284 nan 8.380 nan 0.000 0.502 603 P HA -0.064 nan 4.420 nan 0.000 0.223 603 P C 0.220 177.460 177.300 -0.101 0.000 1.151 603 P CA 1.107 64.296 63.100 0.148 0.000 0.787 603 P CB 0.470 32.236 31.700 0.110 0.000 0.788 604 E N 0.034 120.174 120.200 -0.100 0.000 2.358 604 E HA -0.022 4.330 4.350 0.002 0.000 0.195 604 E C 0.974 177.476 176.600 -0.162 0.000 1.010 604 E CA 0.607 56.917 56.400 -0.150 0.000 0.856 604 E CB -0.308 29.328 29.700 -0.106 0.000 0.795 604 E HN 0.381 nan 8.360 nan 0.000 0.504 605 T N -2.342 112.126 114.554 -0.143 0.000 2.918 605 T HA 0.203 4.554 4.350 0.002 0.000 0.283 605 T C 1.312 175.980 174.700 -0.055 0.000 1.001 605 T CA -0.813 61.247 62.100 -0.067 0.000 1.041 605 T CB 1.902 70.750 68.868 -0.034 0.000 1.028 605 T HN -0.219 nan 8.240 nan 0.000 0.511 606 V N 2.108 122.072 119.914 0.083 0.000 2.490 606 V HA -0.163 3.958 4.120 0.002 0.000 0.250 606 V C 3.070 179.190 176.094 0.044 0.000 1.061 606 V CA 2.287 64.670 62.300 0.139 0.000 1.064 606 V CB -1.130 30.766 31.823 0.123 0.000 0.670 606 V HN 1.116 nan 8.190 nan 0.000 0.461 607 S N 1.016 116.721 115.700 0.009 0.000 2.400 607 S HA -0.206 4.265 4.470 0.002 0.000 0.232 607 S C 1.753 176.324 174.600 -0.049 0.000 1.025 607 S CA 1.811 60.003 58.200 -0.013 0.000 0.993 607 S CB -0.838 62.358 63.200 -0.008 0.000 0.808 607 S HN 0.728 nan 8.310 nan 0.000 0.478 608 T N -0.964 113.542 114.554 -0.079 0.000 3.278 608 T HA 0.231 4.582 4.350 0.002 0.000 0.251 608 T C -0.090 174.544 174.700 -0.111 0.000 1.039 608 T CA -0.313 61.745 62.100 -0.070 0.000 0.935 608 T CB -0.275 68.588 68.868 -0.007 0.000 1.034 608 T HN 0.312 nan 8.240 nan 0.000 0.575 609 D N 1.426 121.763 120.400 -0.105 0.000 2.249 609 D HA 0.093 4.734 4.640 0.002 0.000 0.246 609 D C 1.106 177.263 176.300 -0.238 0.000 1.114 609 D CA -0.999 52.911 54.000 -0.150 0.000 0.854 609 D CB 0.856 41.672 40.800 0.027 0.000 1.132 609 D HN 0.406 nan 8.370 nan 0.000 0.461 610 Y N 1.976 122.195 120.300 -0.135 0.000 2.384 610 Y HA -0.096 4.455 4.550 0.002 0.000 0.289 610 Y C 1.234 177.113 175.900 -0.034 0.000 1.152 610 Y CA 0.814 58.833 58.100 -0.136 0.000 1.258 610 Y CB -0.511 37.870 38.460 -0.132 0.000 0.979 610 Y HN 0.240 nan 8.280 nan 0.000 0.549 611 D N 0.237 120.582 120.400 -0.092 0.000 2.312 611 D HA -0.086 4.555 4.640 0.002 0.000 0.211 611 D C 1.607 177.921 176.300 0.024 0.000 0.964 611 D CA 1.517 55.541 54.000 0.041 0.000 0.877 611 D CB -0.196 40.573 40.800 -0.051 0.000 0.924 611 D HN 0.515 nan 8.370 nan 0.000 0.515 612 T N -0.537 114.016 114.554 -0.001 0.000 3.055 612 T HA 0.007 4.358 4.350 0.002 0.000 0.265 612 T C 1.135 175.850 174.700 0.025 0.000 1.111 612 T CA 0.396 62.502 62.100 0.010 0.000 1.118 612 T CB 0.187 69.059 68.868 0.005 0.000 0.909 612 T HN 0.197 nan 8.240 nan 0.000 0.501 613 S N -0.342 115.380 115.700 0.037 0.000 2.685 613 S HA 0.405 4.877 4.470 0.002 0.000 0.282 613 S C -0.118 174.512 174.600 0.051 0.000 1.159 613 S CA -0.909 57.316 58.200 0.041 0.000 0.833 613 S CB 1.643 64.865 63.200 0.037 0.000 1.151 613 S HN -0.093 nan 8.310 nan 0.000 0.485 614 D N 0.575 121.004 120.400 0.048 0.000 2.123 614 D HA 0.084 4.725 4.640 0.002 0.000 0.200 614 D C 0.264 176.584 176.300 0.034 0.000 0.976 614 D CA 1.149 55.176 54.000 0.044 0.000 0.831 614 D CB 0.102 40.928 40.800 0.043 0.000 0.974 614 D HN 0.434 nan 8.370 nan 0.000 0.469 615 R N -0.071 120.447 120.500 0.030 0.000 2.628 615 R HA 0.535 4.876 4.340 0.002 0.000 0.288 615 R C -1.227 175.072 176.300 -0.002 0.000 0.980 615 R CA -0.762 55.331 56.100 -0.012 0.000 0.891 615 R CB 2.443 32.727 30.300 -0.028 0.000 1.188 615 R HN -0.091 nan 8.270 nan 0.000 0.450 616 L N 2.702 123.892 121.223 -0.054 0.000 2.372 616 L HA 0.450 4.791 4.340 0.002 0.000 0.274 616 L C -1.763 175.095 176.870 -0.020 0.000 0.988 616 L CA -0.429 54.422 54.840 0.019 0.000 0.833 616 L CB 1.089 43.172 42.059 0.041 0.000 1.236 616 L HN 0.539 nan 8.230 nan 0.000 0.410 617 Y N 5.289 125.666 120.300 0.128 0.000 2.434 617 Y HA 0.333 4.884 4.550 0.002 0.000 0.341 617 Y C -0.393 175.630 175.900 0.206 0.000 0.965 617 Y CA -0.141 58.054 58.100 0.159 0.000 1.205 617 Y CB 1.027 39.512 38.460 0.042 0.000 1.121 617 Y HN 0.558 nan 8.280 nan 0.000 0.507 618 F N 5.003 125.154 119.950 0.335 0.000 2.605 618 F HA 0.279 4.807 4.527 0.002 0.000 0.352 618 F C -0.086 175.860 175.800 0.244 0.000 1.236 618 F CA -0.280 57.892 58.000 0.287 0.000 1.267 618 F CB -0.304 38.937 39.000 0.402 0.000 1.632 618 F HN 0.426 nan 8.300 nan 0.000 0.639 619 E N 4.006 124.323 120.200 0.196 0.000 2.392 619 E HA 0.375 4.726 4.350 0.002 0.000 0.269 619 E C -2.709 173.939 176.600 0.079 0.000 0.924 619 E CA -2.322 54.199 56.400 0.202 0.000 0.784 619 E CB 1.422 31.268 29.700 0.244 0.000 1.292 619 E HN 0.101 nan 8.360 nan 0.000 0.447 620 P HA 0.026 nan 4.420 nan 0.000 0.268 620 P C -0.082 177.234 177.300 0.028 0.000 1.205 620 P CA -0.121 63.008 63.100 0.049 0.000 0.771 620 P CB 0.385 32.123 31.700 0.063 0.000 0.858 621 V N 3.504 123.418 119.914 -0.000 0.000 2.071 621 V HA 0.163 4.284 4.120 0.002 0.000 0.254 621 V C 0.856 176.948 176.094 -0.003 0.000 1.456 621 V CA 0.243 62.538 62.300 -0.009 0.000 1.383 621 V CB -1.229 30.577 31.823 -0.028 0.000 1.433 621 V HN 0.708 nan 8.190 nan 0.000 0.499 622 T N -0.549 114.011 114.554 0.011 0.000 2.907 622 T HA 0.553 4.904 4.350 0.002 0.000 0.290 622 T C 0.630 175.338 174.700 0.013 0.000 1.066 622 T CA -0.693 61.415 62.100 0.013 0.000 1.012 622 T CB 2.075 70.960 68.868 0.029 0.000 1.184 622 T HN 0.065 nan 8.240 nan 0.000 0.522 623 L N 0.820 122.050 121.223 0.012 0.000 2.017 623 L HA 0.039 4.380 4.340 0.002 0.000 0.208 623 L C 2.706 179.591 176.870 0.025 0.000 1.073 623 L CA 2.365 57.212 54.840 0.011 0.000 0.745 623 L CB -0.868 41.197 42.059 0.009 0.000 0.894 623 L HN 0.994 nan 8.230 nan 0.000 0.432 624 E N -0.675 119.549 120.200 0.040 0.000 2.049 624 E HA -0.273 4.078 4.350 0.002 0.000 0.198 624 E C 1.687 178.330 176.600 0.073 0.000 1.007 624 E CA 1.920 58.357 56.400 0.062 0.000 0.809 624 E CB -0.237 29.509 29.700 0.076 0.000 0.749 624 E HN 0.638 nan 8.360 nan 0.000 0.450 625 D N 0.069 120.511 120.400 0.070 0.000 2.144 625 D HA -0.123 4.518 4.640 0.002 0.000 0.200 625 D C 2.166 178.489 176.300 0.039 0.000 0.978 625 D CA 1.065 55.113 54.000 0.081 0.000 0.833 625 D CB 0.061 40.921 40.800 0.100 0.000 0.961 625 D HN 0.177 nan 8.370 nan 0.000 0.470 626 V N 1.693 121.611 119.914 0.007 0.000 2.379 626 V HA -0.175 3.946 4.120 0.002 0.000 0.245 626 V C 2.685 178.752 176.094 -0.046 0.000 1.044 626 V CA 0.866 63.142 62.300 -0.040 0.000 1.036 626 V CB -0.391 31.411 31.823 -0.035 0.000 0.664 626 V HN 0.180 nan 8.190 nan 0.000 0.453 627 L N -0.282 120.935 121.223 -0.010 0.000 2.043 627 L HA -0.196 4.145 4.340 0.002 0.000 0.212 627 L C 2.744 179.611 176.870 -0.005 0.000 1.075 627 L CA 1.524 56.361 54.840 -0.005 0.000 0.752 627 L CB -0.642 41.431 42.059 0.022 0.000 0.891 627 L HN 0.352 nan 8.230 nan 0.000 0.432 628 E N -0.030 120.192 120.200 0.037 0.000 2.204 628 E HA -0.171 4.180 4.350 0.002 0.000 0.195 628 E C 2.161 178.765 176.600 0.006 0.000 0.990 628 E CA 1.139 57.585 56.400 0.077 0.000 0.821 628 E CB -0.070 29.734 29.700 0.173 0.000 0.750 628 E HN 0.569 nan 8.360 nan 0.000 0.477 629 I N -0.218 120.276 120.570 -0.127 0.000 2.339 629 I HA -0.176 3.995 4.170 0.002 0.000 0.245 629 I C 2.348 178.300 176.117 -0.275 0.000 1.096 629 I CA 0.319 61.379 61.300 -0.400 0.000 1.408 629 I CB -0.117 37.468 38.000 -0.691 0.000 1.092 629 I HN -0.109 nan 8.210 nan 0.000 0.423 630 V N 1.225 121.034 119.914 -0.176 0.000 2.282 630 V HA -0.365 3.756 4.120 0.002 0.000 0.249 630 V C 2.660 178.698 176.094 -0.094 0.000 1.057 630 V CA 2.315 64.545 62.300 -0.118 0.000 1.032 630 V CB -0.803 30.972 31.823 -0.079 0.000 0.645 630 V HN 0.443 nan 8.190 nan 0.000 0.447 631 R N 0.537 120.988 120.500 -0.081 0.000 2.134 631 R HA -0.244 4.097 4.340 0.002 0.000 0.248 631 R C 2.129 178.382 176.300 -0.078 0.000 1.143 631 R CA 2.827 58.881 56.100 -0.077 0.000 0.957 631 R CB -0.412 29.835 30.300 -0.089 0.000 0.867 631 R HN 0.739 nan 8.270 nan 0.000 0.441 632 I N -3.077 117.445 120.570 -0.080 0.000 3.462 632 I HA 0.157 4.328 4.170 0.002 0.000 0.290 632 I C 1.461 177.543 176.117 -0.059 0.000 1.236 632 I CA 0.396 61.661 61.300 -0.058 0.000 1.418 632 I CB 0.082 38.067 38.000 -0.025 0.000 1.102 632 I HN -0.048 nan 8.210 nan 0.000 0.441 633 E N 2.001 122.147 120.200 -0.091 0.000 2.170 633 E HA -0.024 4.327 4.350 0.002 0.000 0.191 633 E C 0.213 176.792 176.600 -0.036 0.000 0.981 633 E CA 0.313 56.679 56.400 -0.058 0.000 0.830 633 E CB -0.050 29.603 29.700 -0.079 0.000 0.775 633 E HN 0.459 nan 8.360 nan 0.000 0.470 634 K N 1.167 121.540 120.400 -0.045 0.000 3.689 634 K HA -0.147 4.174 4.320 0.002 0.000 0.276 634 K C -2.478 174.112 176.600 -0.018 0.000 0.932 634 K CA 0.271 56.541 56.287 -0.030 0.000 0.758 634 K CB -1.125 31.362 32.500 -0.020 0.000 1.500 634 K HN 0.214 nan 8.250 nan 0.000 0.448 635 P HA -0.022 nan 4.420 nan 0.000 0.274 635 P C 0.348 177.644 177.300 -0.006 0.000 1.246 635 P CA -0.290 62.803 63.100 -0.012 0.000 0.795 635 P CB 1.018 32.699 31.700 -0.031 0.000 1.006 636 K N 0.213 120.620 120.400 0.011 0.000 2.103 636 K HA 0.050 4.371 4.320 0.002 0.000 0.204 636 K C 0.817 177.409 176.600 -0.014 0.000 1.052 636 K CA 1.242 57.539 56.287 0.017 0.000 0.945 636 K CB -0.316 32.223 32.500 0.065 0.000 0.722 636 K HN 0.722 nan 8.250 nan 0.000 0.443 637 G N -0.484 108.289 108.800 -0.045 0.000 2.692 637 G HA2 0.496 4.457 3.960 0.002 0.000 0.291 637 G HA3 0.496 4.457 3.960 0.002 0.000 0.291 637 G C -1.865 172.982 174.900 -0.088 0.000 1.423 637 G CA -0.639 44.419 45.100 -0.071 0.000 0.843 637 G HN -0.033 nan 8.290 nan 0.000 0.486 638 V N 1.010 120.871 119.914 -0.089 0.000 2.709 638 V HA 0.490 4.611 4.120 0.002 0.000 0.308 638 V C -0.387 175.638 176.094 -0.115 0.000 1.062 638 V CA -0.651 61.593 62.300 -0.093 0.000 0.901 638 V CB 1.903 33.683 31.823 -0.071 0.000 1.003 638 V HN 0.661 nan 8.190 nan 0.000 0.425 639 I N 4.843 125.329 120.570 -0.140 0.000 2.312 639 I HA 0.285 4.456 4.170 0.002 0.000 0.290 639 I C 0.722 176.761 176.117 -0.130 0.000 1.008 639 I CA -0.330 60.856 61.300 -0.189 0.000 1.226 639 I CB 1.770 39.579 38.000 -0.317 0.000 1.371 639 I HN 0.592 nan 8.210 nan 0.000 0.468 640 V N 2.242 122.099 119.914 -0.095 0.000 3.427 640 V HA 0.187 4.308 4.120 0.002 0.000 0.305 640 V C 0.944 177.036 176.094 -0.004 0.000 1.412 640 V CA 0.229 62.502 62.300 -0.045 0.000 1.086 640 V CB 0.098 31.897 31.823 -0.039 0.000 0.964 640 V HN 0.773 nan 8.190 nan 0.000 0.439 641 Q N -0.939 118.866 119.800 0.009 0.000 2.319 641 Q HA 0.341 4.682 4.340 0.002 0.000 0.202 641 Q C 1.067 177.302 176.000 0.390 0.000 0.896 641 Q CA 0.440 56.325 55.803 0.138 0.000 0.942 641 Q CB 0.210 29.019 28.738 0.119 0.000 1.083 641 Q HN 0.728 nan 8.270 nan 0.000 0.510 642 Y N -1.568 118.762 120.300 0.050 0.000 2.444 642 Y HA 0.388 4.939 4.550 0.002 0.000 0.249 642 Y C 1.761 177.748 175.900 0.145 0.000 1.134 642 Y CA -0.178 57.988 58.100 0.110 0.000 1.261 642 Y CB 0.486 38.995 38.460 0.082 0.000 1.143 642 Y HN 0.083 nan 8.280 nan 0.000 0.523 643 G N -0.627 108.292 108.800 0.198 0.000 3.337 643 G HA2 0.440 4.401 3.960 0.002 0.000 0.246 643 G HA3 0.440 4.401 3.960 0.002 0.000 0.246 643 G C 0.854 175.668 174.900 -0.142 0.000 1.131 643 G CA 0.395 45.548 45.100 0.089 0.000 0.773 643 G HN 0.544 nan 8.290 nan 0.000 0.544 644 G N 0.024 108.612 108.800 -0.353 0.000 2.568 644 G HA2 -0.251 3.710 3.960 0.002 0.000 0.222 644 G HA3 -0.251 3.710 3.960 0.002 0.000 0.222 644 G C 0.620 175.294 174.900 -0.376 0.000 1.321 644 G CA 0.345 44.962 45.100 -0.807 0.000 0.893 644 G HN 0.251 nan 8.290 nan 0.000 0.569 645 Q N -0.670 118.920 119.800 -0.349 0.000 2.124 645 Q HA 0.022 4.363 4.340 0.002 0.000 0.202 645 Q C 2.935 178.854 176.000 -0.134 0.000 0.977 645 Q CA 2.859 58.544 55.803 -0.195 0.000 0.850 645 Q CB -0.933 27.705 28.738 -0.167 0.000 0.901 645 Q HN 0.747 nan 8.270 nan 0.000 0.429 646 T N 1.555 116.029 114.554 -0.133 0.000 2.570 646 T HA -0.157 4.194 4.350 0.002 0.000 0.266 646 T C -1.148 173.513 174.700 -0.066 0.000 1.071 646 T CA 2.117 64.166 62.100 -0.086 0.000 1.172 646 T CB -1.194 67.627 68.868 -0.077 0.000 0.864 646 T HN 0.386 nan 8.240 nan 0.000 0.421 647 P HA 0.108 nan 4.420 nan 0.000 0.224 647 P C 1.680 178.954 177.300 -0.044 0.000 1.157 647 P CA 0.529 63.603 63.100 -0.045 0.000 0.799 647 P CB -0.164 31.517 31.700 -0.032 0.000 0.809 648 L N 0.460 121.650 121.223 -0.055 0.000 2.083 648 L HA -0.091 4.250 4.340 0.002 0.000 0.209 648 L C 2.255 179.100 176.870 -0.043 0.000 1.083 648 L CA 1.978 56.790 54.840 -0.047 0.000 0.752 648 L CB -0.905 41.117 42.059 -0.061 0.000 0.899 648 L HN -0.199 nan 8.230 nan 0.000 0.433 649 K N -0.940 119.431 120.400 -0.049 0.000 2.362 649 K HA -0.065 4.256 4.320 0.002 0.000 0.200 649 K C 1.646 178.227 176.600 -0.031 0.000 1.046 649 K CA 0.881 57.144 56.287 -0.041 0.000 0.952 649 K CB -0.067 32.406 32.500 -0.045 0.000 0.753 649 K HN 0.368 nan 8.250 nan 0.000 0.466 650 L N -0.758 120.447 121.223 -0.030 0.000 2.554 650 L HA 0.154 4.495 4.340 0.002 0.000 0.225 650 L C 2.202 179.059 176.870 -0.023 0.000 1.104 650 L CA -0.083 54.743 54.840 -0.024 0.000 0.866 650 L CB -0.208 41.838 42.059 -0.023 0.000 1.047 650 L HN 0.060 nan 8.230 nan 0.000 0.468 651 A N 1.409 124.214 122.820 -0.025 0.000 1.881 651 A HA -0.289 4.032 4.320 0.002 0.000 0.219 651 A C 2.430 180.002 177.584 -0.019 0.000 1.215 651 A CA 2.133 54.157 52.037 -0.023 0.000 0.648 651 A CB -0.496 18.491 19.000 -0.022 0.000 0.832 651 A HN 0.371 nan 8.150 nan 0.000 0.455 652 R N -0.865 119.625 120.500 -0.016 0.000 2.070 652 R HA -0.064 4.277 4.340 0.002 0.000 0.232 652 R C 2.576 178.869 176.300 -0.012 0.000 1.138 652 R CA 1.316 57.409 56.100 -0.013 0.000 0.936 652 R CB -0.681 29.612 30.300 -0.011 0.000 0.839 652 R HN 0.521 nan 8.270 nan 0.000 0.429 653 A N 1.482 124.294 122.820 -0.012 0.000 1.948 653 A HA -0.165 4.156 4.320 0.002 0.000 0.220 653 A C 2.256 179.833 177.584 -0.011 0.000 1.177 653 A CA 1.358 53.389 52.037 -0.010 0.000 0.636 653 A CB -0.640 18.355 19.000 -0.009 0.000 0.815 653 A HN 0.200 nan 8.150 nan 0.000 0.449 654 L N -1.139 120.075 121.223 -0.014 0.000 2.046 654 L HA -0.211 4.131 4.340 0.002 0.000 0.208 654 L C 2.653 179.513 176.870 -0.016 0.000 1.077 654 L CA 1.870 56.700 54.840 -0.017 0.000 0.747 654 L CB -0.430 41.615 42.059 -0.023 0.000 0.896 654 L HN 0.573 nan 8.230 nan 0.000 0.432 655 E N 0.125 120.315 120.200 -0.016 0.000 2.031 655 E HA -0.254 4.097 4.350 0.002 0.000 0.193 655 E C 2.264 178.858 176.600 -0.010 0.000 0.994 655 E CA 1.173 57.565 56.400 -0.014 0.000 0.800 655 E CB -0.079 29.614 29.700 -0.012 0.000 0.752 655 E HN 0.432 nan 8.360 nan 0.000 0.447 656 A N 1.123 123.937 122.820 -0.009 0.000 1.927 656 A HA -0.233 4.088 4.320 0.002 0.000 0.220 656 A C 2.280 179.860 177.584 -0.006 0.000 1.185 656 A CA 2.128 54.161 52.037 -0.007 0.000 0.639 656 A CB -0.843 18.153 19.000 -0.006 0.000 0.820 656 A HN 0.406 nan 8.150 nan 0.000 0.451 657 A N -2.288 120.528 122.820 -0.007 0.000 2.235 657 A HA 0.409 4.730 4.320 0.002 0.000 0.208 657 A C 1.784 179.364 177.584 -0.007 0.000 1.172 657 A CA 1.201 53.235 52.037 -0.005 0.000 0.786 657 A CB -0.926 18.072 19.000 -0.003 0.000 0.804 657 A HN 2.015 nan 8.150 nan 0.000 0.479 658 G N -1.838 106.956 108.800 -0.010 0.000 2.176 658 G HA2 -0.187 3.774 3.960 0.002 0.000 0.232 658 G HA3 -0.187 3.774 3.960 0.002 0.000 0.232 658 G C 0.178 175.069 174.900 -0.016 0.000 0.986 658 G CA -0.016 45.078 45.100 -0.011 0.000 0.643 658 G HN 0.728 nan 8.290 nan 0.000 0.522 659 V N 2.064 121.967 119.914 -0.019 0.000 2.715 659 V HA 0.390 4.511 4.120 0.002 0.000 0.299 659 V C -1.251 174.828 176.094 -0.026 0.000 1.054 659 V CA -0.610 61.675 62.300 -0.026 0.000 1.077 659 V CB 1.238 33.043 31.823 -0.030 0.000 0.972 659 V HN 0.200 nan 8.190 nan 0.000 0.484 660 P HA 0.220 nan 4.420 nan 0.000 0.225 660 P C -0.398 176.879 177.300 -0.038 0.000 1.830 660 P CA -0.235 62.848 63.100 -0.028 0.000 1.051 660 P CB 0.195 31.880 31.700 -0.026 0.000 1.929 661 V N 4.617 124.509 119.914 -0.036 0.000 2.529 661 V HA 0.005 4.126 4.120 0.002 0.000 0.292 661 V C 1.248 177.314 176.094 -0.047 0.000 1.028 661 V CA 0.139 62.412 62.300 -0.044 0.000 1.074 661 V CB -0.237 31.564 31.823 -0.036 0.000 0.958 661 V HN 0.328 nan 8.190 nan 0.000 0.481 662 I N 2.375 122.905 120.570 -0.067 0.000 2.793 662 I HA 1.014 5.185 4.170 0.002 0.000 0.313 662 I C 0.660 176.738 176.117 -0.066 0.000 0.998 662 I CA -0.243 61.017 61.300 -0.067 0.000 1.140 662 I CB 1.401 39.347 38.000 -0.090 0.000 1.327 662 I HN 0.876 nan 8.210 nan 0.000 0.491 663 G N 2.243 111.015 108.800 -0.047 0.000 2.782 663 G HA2 -0.178 3.783 3.960 0.002 0.000 0.228 663 G HA3 -0.178 3.783 3.960 0.002 0.000 0.228 663 G C -0.136 174.758 174.900 -0.010 0.000 1.372 663 G CA -0.430 44.652 45.100 -0.030 0.000 0.862 663 G HN 1.027 nan 8.290 nan 0.000 0.547 664 T N 0.917 115.475 114.554 0.008 0.000 2.723 664 T HA 0.315 4.666 4.350 0.002 0.000 0.260 664 T C 1.440 176.144 174.700 0.006 0.000 1.019 664 T CA 1.163 63.272 62.100 0.016 0.000 1.155 664 T CB -0.067 68.818 68.868 0.028 0.000 1.024 664 T HN 2.033 nan 8.240 nan 0.000 0.491 665 S N 4.467 120.172 115.700 0.010 0.000 2.579 665 S HA 0.157 4.628 4.470 0.002 0.000 0.275 665 S C -1.495 173.106 174.600 0.002 0.000 1.345 665 S CA -1.322 56.880 58.200 0.004 0.000 1.031 665 S CB 0.845 64.051 63.200 0.010 0.000 0.892 665 S HN 0.345 nan 8.310 nan 0.000 0.529 666 P HA -0.094 nan 4.420 nan 0.000 0.216 666 P C 0.956 178.255 177.300 -0.002 0.000 1.150 666 P CA 1.609 64.705 63.100 -0.006 0.000 0.837 666 P CB -0.121 31.573 31.700 -0.010 0.000 0.786 667 D N -0.567 119.835 120.400 0.002 0.000 2.117 667 D HA -0.117 4.524 4.640 0.002 0.000 0.198 667 D C 1.949 178.257 176.300 0.013 0.000 0.982 667 D CA 1.245 55.249 54.000 0.006 0.000 0.828 667 D CB -0.516 40.289 40.800 0.008 0.000 0.967 667 D HN -0.054 nan 8.370 nan 0.000 0.464 668 A N 0.455 123.286 122.820 0.018 0.000 1.883 668 A HA -0.162 4.159 4.320 0.002 0.000 0.217 668 A C 2.390 179.987 177.584 0.023 0.000 1.186 668 A CA 1.352 53.406 52.037 0.028 0.000 0.624 668 A CB -0.947 18.072 19.000 0.031 0.000 0.822 668 A HN 0.415 nan 8.150 nan 0.000 0.444 669 I N -0.433 120.144 120.570 0.012 0.000 2.163 669 I HA -0.285 3.886 4.170 0.002 0.000 0.243 669 I C 2.301 178.415 176.117 -0.005 0.000 1.085 669 I CA 2.125 63.425 61.300 0.001 0.000 1.347 669 I CB -0.458 37.540 38.000 -0.004 0.000 1.044 669 I HN 0.428 nan 8.210 nan 0.000 0.408 670 D N 0.544 120.943 120.400 -0.002 0.000 2.178 670 D HA -0.174 4.467 4.640 0.002 0.000 0.202 670 D C 2.359 178.665 176.300 0.010 0.000 0.974 670 D CA 0.936 54.934 54.000 -0.004 0.000 0.841 670 D CB 0.040 40.836 40.800 -0.005 0.000 0.953 670 D HN 0.033 nan 8.370 nan 0.000 0.478 671 R N -0.337 120.179 120.500 0.027 0.000 2.096 671 R HA -0.084 4.257 4.340 0.002 0.000 0.235 671 R C 1.985 178.349 176.300 0.107 0.000 1.127 671 R CA 1.278 57.413 56.100 0.059 0.000 0.968 671 R CB -0.189 30.151 30.300 0.067 0.000 0.861 671 R HN 0.256 nan 8.270 nan 0.000 0.440 672 A N 0.599 123.456 122.820 0.061 0.000 1.903 672 A HA -0.047 4.274 4.320 0.002 0.000 0.213 672 A C 1.836 179.340 177.584 -0.133 0.000 1.185 672 A CA 0.627 52.663 52.037 -0.002 0.000 0.628 672 A CB -0.040 18.927 19.000 -0.054 0.000 0.830 672 A HN 0.176 nan 8.150 nan 0.000 0.446 673 E N 0.783 120.935 120.200 -0.080 0.000 2.106 673 E HA -0.110 4.241 4.350 0.002 0.000 0.192 673 E C 0.124 176.692 176.600 -0.053 0.000 0.984 673 E CA 0.453 56.799 56.400 -0.090 0.000 0.806 673 E CB -0.349 29.314 29.700 -0.062 0.000 0.750 673 E HN 0.579 nan 8.360 nan 0.000 0.458 674 D N 1.438 121.833 120.400 -0.007 0.000 2.358 674 D HA -0.037 4.604 4.640 0.002 0.000 0.258 674 D C 1.293 177.636 176.300 0.072 0.000 1.223 674 D CA -0.172 53.837 54.000 0.015 0.000 0.886 674 D CB 0.755 41.556 40.800 0.003 0.000 1.120 674 D HN -0.047 nan 8.370 nan 0.000 0.482 675 R N 4.162 124.705 120.500 0.071 0.000 2.112 675 R HA -0.230 4.111 4.340 0.002 0.000 0.242 675 R C 1.611 178.000 176.300 0.149 0.000 1.137 675 R CA 1.205 57.385 56.100 0.134 0.000 0.944 675 R CB -0.797 29.553 30.300 0.082 0.000 0.857 675 R HN 0.593 nan 8.270 nan 0.000 0.435 676 E N 0.594 120.829 120.200 0.058 0.000 2.007 676 E HA -0.108 4.243 4.350 0.002 0.000 0.194 676 E C 2.326 178.866 176.600 -0.100 0.000 0.999 676 E CA 0.816 57.209 56.400 -0.012 0.000 0.811 676 E CB 0.021 29.685 29.700 -0.060 0.000 0.762 676 E HN 0.266 nan 8.360 nan 0.000 0.450 677 R N -0.108 120.332 120.500 -0.099 0.000 2.119 677 R HA -0.201 4.140 4.340 0.002 0.000 0.246 677 R C 2.338 178.677 176.300 0.066 0.000 1.146 677 R CA 1.387 57.436 56.100 -0.086 0.000 0.962 677 R CB -0.724 29.567 30.300 -0.014 0.000 0.863 677 R HN 0.256 nan 8.270 nan 0.000 0.442 678 F N 2.081 122.018 119.950 -0.021 0.000 2.084 678 F HA -0.184 4.344 4.527 0.002 0.000 0.296 678 F C 2.746 178.579 175.800 0.055 0.000 1.111 678 F CA 1.522 59.529 58.000 0.013 0.000 1.224 678 F CB -0.489 38.511 39.000 -0.001 0.000 0.991 678 F HN -0.021 nan 8.300 nan 0.000 0.471 679 Q N -0.579 119.229 119.800 0.015 0.000 2.173 679 Q HA -0.296 4.045 4.340 0.002 0.000 0.208 679 Q C 2.131 178.143 176.000 0.020 0.000 0.989 679 Q CA 2.206 57.978 55.803 -0.050 0.000 0.872 679 Q CB -0.390 28.400 28.738 0.086 0.000 0.909 679 Q HN 0.539 nan 8.270 nan 0.000 0.420 680 H N -0.572 118.439 119.070 -0.098 0.000 2.387 680 H HA -0.038 4.519 4.556 0.002 0.000 0.299 680 H C 1.834 177.102 175.328 -0.099 0.000 1.090 680 H CA 1.458 57.460 56.048 -0.076 0.000 1.332 680 H CB -0.391 29.352 29.762 -0.032 0.000 1.386 680 H HN 0.408 nan 8.280 nan 0.000 0.516 681 A N 0.234 123.068 122.820 0.024 0.000 1.898 681 A HA -0.103 4.218 4.320 0.002 0.000 0.216 681 A C 2.679 180.184 177.584 -0.130 0.000 1.181 681 A CA 1.456 53.469 52.037 -0.041 0.000 0.620 681 A CB -0.839 18.148 19.000 -0.022 0.000 0.819 681 A HN 0.228 nan 8.150 nan 0.000 0.442 682 V N 0.148 119.886 119.914 -0.294 0.000 2.252 682 V HA -0.336 3.785 4.120 0.002 0.000 0.249 682 V C 2.485 178.488 176.094 -0.152 0.000 1.056 682 V CA 2.468 64.593 62.300 -0.292 0.000 1.022 682 V CB -0.845 30.705 31.823 -0.456 0.000 0.641 682 V HN 0.653 nan 8.190 nan 0.000 0.445 683 E N -0.191 119.925 120.200 -0.140 0.000 2.021 683 E HA -0.332 4.019 4.350 0.002 0.000 0.200 683 E C 2.430 178.982 176.600 -0.080 0.000 1.015 683 E CA 2.018 58.353 56.400 -0.107 0.000 0.824 683 E CB -0.215 29.405 29.700 -0.133 0.000 0.762 683 E HN 0.416 nan 8.360 nan 0.000 0.454 684 R N 0.499 120.959 120.500 -0.067 0.000 2.133 684 R HA -0.160 4.181 4.340 0.002 0.000 0.247 684 R C 2.222 178.504 176.300 -0.029 0.000 1.151 684 R CA 1.306 57.383 56.100 -0.039 0.000 0.971 684 R CB -0.204 30.087 30.300 -0.014 0.000 0.866 684 R HN 0.205 nan 8.270 nan 0.000 0.447 685 L N -0.148 121.055 121.223 -0.034 0.000 2.492 685 L HA 0.091 4.432 4.340 0.002 0.000 0.223 685 L C 0.555 177.412 176.870 -0.022 0.000 1.132 685 L CA 0.527 55.357 54.840 -0.016 0.000 0.850 685 L CB -0.054 42.000 42.059 -0.008 0.000 0.966 685 L HN 0.231 nan 8.230 nan 0.000 0.454 686 K N 0.030 120.406 120.400 -0.040 0.000 3.291 686 K HA -0.134 4.187 4.320 0.002 0.000 0.290 686 K C -0.219 176.355 176.600 -0.043 0.000 1.235 686 K CA 0.220 56.481 56.287 -0.042 0.000 0.848 686 K CB -1.653 30.828 32.500 -0.032 0.000 1.295 686 K HN 0.220 nan 8.250 nan 0.000 0.497 687 L N 0.533 121.727 121.223 -0.048 0.000 2.454 687 L HA 0.325 4.666 4.340 0.002 0.000 0.256 687 L C 0.864 177.703 176.870 -0.053 0.000 1.136 687 L CA -0.664 54.154 54.840 -0.038 0.000 0.804 687 L CB 0.634 42.684 42.059 -0.015 0.000 1.181 687 L HN 0.003 nan 8.230 nan 0.000 0.469 688 K N 1.505 121.874 120.400 -0.051 0.000 2.172 688 K HA 0.366 4.688 4.320 0.002 0.000 0.276 688 K C -0.893 175.720 176.600 0.022 0.000 1.013 688 K CA -0.310 55.933 56.287 -0.073 0.000 0.913 688 K CB 1.552 33.912 32.500 -0.233 0.000 1.055 688 K HN 0.497 nan 8.250 nan 0.000 0.461 689 Q N 2.729 122.571 119.800 0.071 0.000 2.418 689 Q HA 0.404 4.745 4.340 0.002 0.000 0.282 689 Q C -2.600 173.517 176.000 0.196 0.000 1.044 689 Q CA -1.995 53.890 55.803 0.136 0.000 0.813 689 Q CB 2.301 31.065 28.738 0.043 0.000 1.428 689 Q HN 0.322 nan 8.270 nan 0.000 0.402 690 P HA 0.161 nan 4.420 nan 0.000 0.276 690 P C -1.228 176.145 177.300 0.122 0.000 1.230 690 P CA -0.070 63.131 63.100 0.169 0.000 0.776 690 P CB 0.668 32.427 31.700 0.100 0.000 0.888 691 A N 3.804 126.689 122.820 0.108 0.000 2.565 691 A HA 0.249 4.570 4.320 0.002 0.000 0.237 691 A C 0.507 178.126 177.584 0.058 0.000 1.053 691 A CA 0.380 52.450 52.037 0.055 0.000 0.755 691 A CB -0.887 18.113 19.000 0.001 0.000 0.980 691 A HN 0.788 nan 8.150 nan 0.000 0.506 692 N N -0.349 118.375 118.700 0.039 0.000 2.853 692 N HA 0.819 5.560 4.740 0.002 0.000 0.258 692 N C -0.940 174.586 175.510 0.026 0.000 1.444 692 N CA -0.187 52.886 53.050 0.037 0.000 0.837 692 N CB 1.779 40.298 38.487 0.053 0.000 1.489 692 N HN 1.058 nan 8.380 nan 0.000 0.529 693 A N -0.621 122.216 122.820 0.027 0.000 2.589 693 A HA 0.689 5.010 4.320 0.002 0.000 0.296 693 A C -1.500 176.107 177.584 0.038 0.000 1.062 693 A CA -0.745 51.309 52.037 0.027 0.000 0.686 693 A CB 1.348 20.358 19.000 0.017 0.000 1.282 693 A HN 0.584 nan 8.150 nan 0.000 0.404 694 T N 2.008 116.587 114.554 0.041 0.000 2.947 694 T HA 0.477 4.828 4.350 0.002 0.000 0.337 694 T C -0.173 174.556 174.700 0.049 0.000 1.139 694 T CA -0.166 61.963 62.100 0.048 0.000 0.992 694 T CB 0.266 69.161 68.868 0.045 0.000 1.043 694 T HN 0.535 nan 8.240 nan 0.000 0.498 695 V N 3.293 123.246 119.914 0.066 0.000 2.686 695 V HA 0.281 4.402 4.120 0.002 0.000 0.295 695 V C 1.236 177.371 176.094 0.069 0.000 1.057 695 V CA -0.153 62.186 62.300 0.064 0.000 1.012 695 V CB 1.637 33.513 31.823 0.089 0.000 1.006 695 V HN 0.855 nan 8.190 nan 0.000 0.477 696 T N 1.701 116.277 114.554 0.036 0.000 3.087 696 T HA 0.340 4.691 4.350 0.002 0.000 0.237 696 T C 0.530 175.233 174.700 0.005 0.000 0.990 696 T CA 0.759 62.876 62.100 0.029 0.000 1.160 696 T CB 0.387 69.261 68.868 0.011 0.000 0.923 696 T HN 0.781 nan 8.240 nan 0.000 0.442 697 A N 0.225 123.020 122.820 -0.042 0.000 2.311 697 A HA 0.681 5.002 4.320 0.002 0.000 0.334 697 A C 0.896 178.329 177.584 -0.252 0.000 1.139 697 A CA -0.584 51.387 52.037 -0.110 0.000 0.830 697 A CB 0.450 19.402 19.000 -0.081 0.000 1.234 697 A HN 0.182 nan 8.150 nan 0.000 0.483 698 I N 0.765 121.100 120.570 -0.391 0.000 2.069 698 I HA -0.239 3.932 4.170 0.002 0.000 0.237 698 I C 2.201 178.087 176.117 -0.384 0.000 1.053 698 I CA 1.777 62.668 61.300 -0.681 0.000 1.311 698 I CB -0.387 37.320 38.000 -0.488 0.000 1.030 698 I HN 0.716 nan 8.210 nan 0.000 0.398 699 E N -0.037 120.039 120.200 -0.206 0.000 2.209 699 E HA -0.256 4.095 4.350 0.002 0.000 0.196 699 E C 2.213 178.769 176.600 -0.074 0.000 0.993 699 E CA 1.229 57.565 56.400 -0.106 0.000 0.819 699 E CB -0.467 29.192 29.700 -0.069 0.000 0.745 699 E HN 0.555 nan 8.360 nan 0.000 0.477 700 M N 0.475 120.023 119.600 -0.086 0.000 2.067 700 M HA -0.171 4.310 4.480 0.002 0.000 0.260 700 M C 2.318 178.601 176.300 -0.029 0.000 1.069 700 M CA 1.745 57.016 55.300 -0.048 0.000 1.117 700 M CB -0.142 32.430 32.600 -0.047 0.000 1.334 700 M HN 0.132 nan 8.290 nan 0.000 0.407 701 A N -0.281 122.509 122.820 -0.049 0.000 1.851 701 A HA -0.166 4.155 4.320 0.002 0.000 0.216 701 A C 1.989 179.603 177.584 0.050 0.000 1.195 701 A CA 2.147 54.198 52.037 0.023 0.000 0.622 701 A CB -1.348 17.680 19.000 0.048 0.000 0.831 701 A HN 0.399 nan 8.150 nan 0.000 0.444 702 V N 0.257 120.198 119.914 0.045 0.000 2.370 702 V HA -0.315 3.806 4.120 0.002 0.000 0.252 702 V C 2.522 178.665 176.094 0.083 0.000 1.068 702 V CA 2.673 65.034 62.300 0.103 0.000 1.061 702 V CB -1.055 30.815 31.823 0.077 0.000 0.656 702 V HN 0.726 nan 8.190 nan 0.000 0.455 703 E N 0.970 121.192 120.200 0.038 0.000 2.016 703 E HA -0.186 4.165 4.350 0.002 0.000 0.190 703 E C 2.120 178.731 176.600 0.017 0.000 0.985 703 E CA 1.417 57.834 56.400 0.028 0.000 0.802 703 E CB -0.366 29.341 29.700 0.012 0.000 0.762 703 E HN 0.358 nan 8.360 nan 0.000 0.448 704 K N 0.263 120.667 120.400 0.006 0.000 2.103 704 K HA -0.009 4.312 4.320 0.002 0.000 0.207 704 K C 1.856 178.436 176.600 -0.035 0.000 1.048 704 K CA 1.316 57.599 56.287 -0.007 0.000 0.930 704 K CB -0.748 31.753 32.500 0.002 0.000 0.716 704 K HN 0.249 nan 8.250 nan 0.000 0.444 705 A N 0.427 123.222 122.820 -0.041 0.000 1.940 705 A HA -0.234 4.087 4.320 0.002 0.000 0.219 705 A C 1.988 179.463 177.584 -0.181 0.000 1.176 705 A CA 1.999 53.934 52.037 -0.170 0.000 0.631 705 A CB -0.424 18.480 19.000 -0.161 0.000 0.814 705 A HN 0.271 nan 8.150 nan 0.000 0.446 706 K N -0.333 120.060 120.400 -0.011 0.000 2.057 706 K HA -0.147 4.174 4.320 0.002 0.000 0.207 706 K C 2.043 178.640 176.600 -0.005 0.000 1.049 706 K CA 1.654 57.971 56.287 0.051 0.000 0.931 706 K CB -0.151 32.391 32.500 0.071 0.000 0.714 706 K HN 0.669 nan 8.250 nan 0.000 0.440 707 E N 0.263 120.448 120.200 -0.025 0.000 2.012 707 E HA -0.207 4.144 4.350 0.002 0.000 0.197 707 E C 1.936 178.496 176.600 -0.067 0.000 1.007 707 E CA 1.635 58.014 56.400 -0.035 0.000 0.816 707 E CB -0.103 29.581 29.700 -0.027 0.000 0.762 707 E HN 0.209 nan 8.360 nan 0.000 0.451 708 I N 0.020 120.536 120.570 -0.089 0.000 2.226 708 I HA -0.122 4.049 4.170 0.002 0.000 0.245 708 I C 1.051 177.053 176.117 -0.192 0.000 1.100 708 I CA 0.883 62.114 61.300 -0.115 0.000 1.374 708 I CB -0.387 37.565 38.000 -0.080 0.000 1.057 708 I HN 0.276 nan 8.210 nan 0.000 0.413 709 G N -0.181 108.521 108.800 -0.165 0.000 3.190 709 G HA2 -0.209 3.752 3.960 0.002 0.000 0.686 709 G HA3 -0.209 3.752 3.960 0.002 0.000 0.686 709 G C -0.678 174.261 174.900 0.065 0.000 1.033 709 G CA -0.971 44.076 45.100 -0.088 0.000 0.797 709 G HN 0.078 nan 8.290 nan 0.000 0.567 710 Y N 2.473 122.869 120.300 0.160 0.000 2.314 710 Y HA 0.477 5.028 4.550 0.002 0.000 0.334 710 Y C -0.830 175.203 175.900 0.221 0.000 1.266 710 Y CA -1.019 57.176 58.100 0.160 0.000 1.391 710 Y CB 0.376 38.899 38.460 0.105 0.000 1.306 710 Y HN 0.526 nan 8.280 nan 0.000 0.558 711 P HA 0.232 nan 4.420 nan 0.000 0.275 711 P C -1.328 175.961 177.300 -0.018 0.000 1.266 711 P CA -0.285 62.845 63.100 0.050 0.000 0.793 711 P CB 0.767 32.290 31.700 -0.295 0.000 1.074 712 L N 0.057 121.211 121.223 -0.116 0.000 2.408 712 L HA 0.333 4.674 4.340 0.002 0.000 0.268 712 L C -0.848 175.901 176.870 -0.202 0.000 0.986 712 L CA -0.672 54.086 54.840 -0.137 0.000 0.820 712 L CB 2.329 44.282 42.059 -0.176 0.000 1.303 712 L HN 0.001 nan 8.230 nan 0.000 0.411 713 V N 4.821 124.652 119.914 -0.139 0.000 2.320 713 V HA 0.222 4.343 4.120 0.002 0.000 0.265 713 V C -0.148 175.847 176.094 -0.164 0.000 1.048 713 V CA -0.593 61.610 62.300 -0.161 0.000 0.865 713 V CB 1.217 33.003 31.823 -0.061 0.000 1.043 713 V HN 0.438 nan 8.190 nan 0.000 0.474 714 V N 6.764 126.517 119.914 -0.268 0.000 2.223 714 V HA 0.270 4.391 4.120 0.002 0.000 0.249 714 V C 0.683 176.655 176.094 -0.202 0.000 1.233 714 V CA -0.429 61.696 62.300 -0.291 0.000 1.131 714 V CB -0.543 30.936 31.823 -0.572 0.000 1.298 714 V HN 0.762 nan 8.190 nan 0.000 0.498 715 R N 4.622 125.066 120.500 -0.093 0.000 2.202 715 R HA 0.473 4.814 4.340 0.002 0.000 0.334 715 R C -1.705 174.592 176.300 -0.005 0.000 1.036 715 R CA -0.872 55.202 56.100 -0.044 0.000 0.878 715 R CB 0.711 30.999 30.300 -0.020 0.000 1.067 715 R HN 0.524 nan 8.270 nan 0.000 0.457 725 M N 1.480 121.067 119.600 -0.021 0.000 2.472 725 M HA 0.623 5.104 4.480 0.002 0.000 0.331 725 M C -0.116 176.118 176.300 -0.111 0.000 1.170 725 M CA -0.278 54.982 55.300 -0.067 0.000 1.009 725 M CB 2.066 34.637 32.600 -0.050 0.000 1.672 725 M HN 0.880 nan 8.290 nan 0.000 0.453 726 E N 2.102 122.160 120.200 -0.237 0.000 2.383 726 E HA 0.546 4.897 4.350 0.002 0.000 0.275 726 E C -1.808 174.590 176.600 -0.337 0.000 0.918 726 E CA -0.605 55.630 56.400 -0.276 0.000 0.764 726 E CB 2.054 31.587 29.700 -0.277 0.000 1.252 726 E HN 0.646 nan 8.360 nan 0.000 0.449 727 I N 3.729 124.124 120.570 -0.291 0.000 2.330 727 I HA 0.277 4.448 4.170 0.002 0.000 0.286 727 I C -0.738 175.204 176.117 -0.293 0.000 1.025 727 I CA -0.894 60.161 61.300 -0.407 0.000 1.197 727 I CB 1.389 39.010 38.000 -0.632 0.000 1.358 727 I HN 0.294 nan 8.210 nan 0.000 0.467 728 V N 6.884 126.629 119.914 -0.281 0.000 2.567 728 V HA 0.131 4.252 4.120 0.002 0.000 0.289 728 V C 0.051 176.119 176.094 -0.044 0.000 1.049 728 V CA 0.025 62.288 62.300 -0.062 0.000 0.969 728 V CB 1.362 33.180 31.823 -0.009 0.000 0.995 728 V HN 0.581 nan 8.190 nan 0.000 0.471 729 Y N 1.074 121.434 120.300 0.099 0.000 2.535 729 Y HA 0.216 4.767 4.550 0.002 0.000 0.266 729 Y C 0.681 176.522 175.900 -0.098 0.000 1.088 729 Y CA -0.418 57.741 58.100 0.097 0.000 1.285 729 Y CB 0.555 39.030 38.460 0.025 0.000 1.166 729 Y HN 0.846 nan 8.280 nan 0.000 0.525 730 D N -1.975 118.313 120.400 -0.188 0.000 2.596 730 D HA 0.084 4.725 4.640 0.002 0.000 0.262 730 D C 0.633 176.568 176.300 -0.607 0.000 1.210 730 D CA -0.664 52.880 54.000 -0.760 0.000 0.873 730 D CB 0.551 41.148 40.800 -0.338 0.000 1.408 730 D HN -0.035 nan 8.370 nan 0.000 0.441 731 E N 0.013 119.849 120.200 -0.607 0.000 2.070 731 E HA -0.287 4.064 4.350 0.002 0.000 0.197 731 E C 1.885 178.512 176.600 0.044 0.000 1.004 731 E CA 1.779 58.142 56.400 -0.062 0.000 0.805 731 E CB -0.260 29.435 29.700 -0.008 0.000 0.744 731 E HN 0.536 nan 8.360 nan 0.000 0.451 732 A N 0.964 123.774 122.820 -0.016 0.000 1.908 732 A HA -0.260 4.061 4.320 0.002 0.000 0.218 732 A C 1.833 179.457 177.584 0.067 0.000 1.181 732 A CA 2.147 54.200 52.037 0.026 0.000 0.627 732 A CB -0.714 18.284 19.000 -0.003 0.000 0.818 732 A HN 0.313 nan 8.150 nan 0.000 0.445 733 D N -0.908 119.525 120.400 0.055 0.000 2.104 733 D HA -0.133 4.508 4.640 0.002 0.000 0.194 733 D C 1.803 178.210 176.300 0.178 0.000 0.994 733 D CA 1.054 55.118 54.000 0.106 0.000 0.830 733 D CB -0.165 40.705 40.800 0.116 0.000 0.959 733 D HN 0.228 nan 8.370 nan 0.000 0.452 734 L N 1.445 122.812 121.223 0.240 0.000 1.978 734 L HA -0.253 4.088 4.340 0.002 0.000 0.218 734 L C 2.114 179.268 176.870 0.473 0.000 1.075 734 L CA 1.865 56.923 54.840 0.364 0.000 0.767 734 L CB -0.820 41.513 42.059 0.456 0.000 0.890 734 L HN 0.096 nan 8.230 nan 0.000 0.434 735 R N -1.078 119.640 120.500 0.363 0.000 2.103 735 R HA -0.218 4.123 4.340 0.002 0.000 0.234 735 R C 2.263 178.731 176.300 0.281 0.000 1.132 735 R CA 1.427 57.726 56.100 0.333 0.000 0.925 735 R CB -0.996 29.409 30.300 0.174 0.000 0.842 735 R HN 0.330 nan 8.270 nan 0.000 0.430 736 R N 0.479 121.088 120.500 0.182 0.000 2.224 736 R HA -0.313 4.028 4.340 0.002 0.000 0.251 736 R C 2.303 178.675 176.300 0.121 0.000 1.123 736 R CA 2.531 58.706 56.100 0.125 0.000 0.944 736 R CB -0.815 29.551 30.300 0.109 0.000 0.910 736 R HN 0.419 nan 8.270 nan 0.000 0.440 737 Y N 0.112 120.421 120.300 0.014 0.000 2.081 737 Y HA -0.307 4.244 4.550 0.002 0.000 0.280 737 Y C 2.139 177.974 175.900 -0.108 0.000 1.163 737 Y CA 2.243 60.286 58.100 -0.096 0.000 1.135 737 Y CB -0.671 37.650 38.460 -0.232 0.000 0.970 737 Y HN 0.071 nan 8.280 nan 0.000 0.498 738 F N 1.037 121.008 119.950 0.034 0.000 2.115 738 F HA -0.368 4.160 4.527 0.002 0.000 0.300 738 F C 2.726 178.437 175.800 -0.150 0.000 1.092 738 F CA 2.232 60.193 58.000 -0.064 0.000 1.245 738 F CB -1.138 37.900 39.000 0.064 0.000 0.995 738 F HN 0.247 nan 8.300 nan 0.000 0.481 739 Q N 0.154 119.998 119.800 0.072 0.000 1.927 739 Q HA -0.281 4.060 4.340 0.002 0.000 0.210 739 Q C 2.406 178.356 176.000 -0.084 0.000 1.001 739 Q CA 3.295 59.103 55.803 0.008 0.000 0.862 739 Q CB -0.541 28.203 28.738 0.010 0.000 0.934 739 Q HN 0.490 nan 8.270 nan 0.000 0.420 740 T N -0.774 113.692 114.554 -0.147 0.000 2.737 740 T HA -0.108 4.243 4.350 0.002 0.000 0.269 740 T C 1.007 175.539 174.700 -0.280 0.000 1.040 740 T CA 0.813 62.800 62.100 -0.188 0.000 1.142 740 T CB -0.868 67.895 68.868 -0.175 0.000 0.861 740 T HN 0.522 nan 8.240 nan 0.000 0.456 751 L N 4.847 126.101 121.223 0.050 0.000 2.483 751 L HA 0.373 4.714 4.340 0.002 0.000 0.275 751 L C -0.393 176.491 176.870 0.023 0.000 1.220 751 L CA 0.418 55.281 54.840 0.038 0.000 0.833 751 L CB 0.378 42.454 42.059 0.028 0.000 1.102 751 L HN 0.429 nan 8.230 nan 0.000 0.490 752 L N 2.295 123.531 121.223 0.021 0.000 2.406 752 L HA 0.482 4.823 4.340 0.002 0.000 0.272 752 L C -1.133 175.738 176.870 0.002 0.000 0.980 752 L CA -0.174 54.665 54.840 -0.001 0.000 0.831 752 L CB 1.666 43.731 42.059 0.009 0.000 1.253 752 L HN 0.527 nan 8.230 nan 0.000 0.406 753 D N -0.144 120.252 120.400 -0.007 0.000 2.732 753 D HA 0.317 4.958 4.640 0.002 0.000 0.229 753 D C -1.053 175.275 176.300 0.047 0.000 1.152 753 D CA -0.502 53.516 54.000 0.029 0.000 0.854 753 D CB 1.454 42.275 40.800 0.035 0.000 1.590 753 D HN 0.424 nan 8.370 nan 0.000 0.468 754 H N 1.357 120.406 119.070 -0.035 0.000 2.848 754 H HA 0.196 4.753 4.556 0.002 0.000 0.317 754 H C -0.869 174.448 175.328 -0.019 0.000 1.046 754 H CA -0.248 55.772 56.048 -0.046 0.000 1.470 754 H CB 0.147 29.875 29.762 -0.057 0.000 1.483 754 H HN 0.206 nan 8.280 nan 0.000 0.548 755 F N 6.435 126.037 119.950 -0.579 0.000 2.506 755 F HA 0.178 4.706 4.527 0.002 0.000 0.371 755 F C -0.697 174.734 175.800 -0.617 0.000 1.078 755 F CA -0.795 56.912 58.000 -0.487 0.000 1.195 755 F CB 0.075 38.833 39.000 -0.403 0.000 1.099 755 F HN 0.537 nan 8.300 nan 0.000 0.548 756 L N 6.506 127.074 121.223 -1.092 0.000 2.401 756 L HA 0.145 4.486 4.340 0.002 0.000 0.283 756 L C 0.196 176.331 176.870 -1.225 0.000 1.151 756 L CA -0.462 53.790 54.840 -0.981 0.000 0.942 756 L CB -0.441 41.190 42.059 -0.713 0.000 1.283 756 L HN 0.528 nan 8.230 nan 0.000 0.442 757 D N 3.063 122.867 120.400 -0.993 0.000 2.400 757 D HA -0.068 4.573 4.640 0.002 0.000 0.238 757 D C 0.450 176.570 176.300 -0.299 0.000 1.157 757 D CA 0.219 53.887 54.000 -0.553 0.000 0.889 757 D CB 0.637 41.353 40.800 -0.140 0.000 1.199 757 D HN 0.469 nan 8.370 nan 0.000 0.436 758 D N 0.215 120.541 120.400 -0.124 0.000 2.720 758 D HA -0.189 4.452 4.640 0.002 0.000 0.229 758 D C -0.718 175.519 176.300 -0.106 0.000 1.198 758 D CA 0.834 54.796 54.000 -0.063 0.000 0.639 758 D CB -1.031 39.757 40.800 -0.020 0.000 1.003 758 D HN 0.375 nan 8.370 nan 0.000 0.411 759 A N -0.310 122.426 122.820 -0.140 0.000 2.384 759 A HA 0.670 4.991 4.320 0.002 0.000 0.312 759 A C -0.006 177.539 177.584 -0.065 0.000 1.113 759 A CA -0.636 51.324 52.037 -0.129 0.000 0.779 759 A CB 2.027 20.894 19.000 -0.221 0.000 1.307 759 A HN 0.062 nan 8.150 nan 0.000 0.436 760 V N 1.457 121.340 119.914 -0.051 0.000 2.465 760 V HA 0.287 4.408 4.120 0.002 0.000 0.279 760 V C 0.371 176.437 176.094 -0.047 0.000 1.045 760 V CA -0.218 62.063 62.300 -0.031 0.000 0.938 760 V CB 1.243 33.035 31.823 -0.052 0.000 0.986 760 V HN 0.945 nan 8.190 nan 0.000 0.467 761 E N 3.243 123.397 120.200 -0.077 0.000 2.204 761 E HA 0.677 5.028 4.350 0.002 0.000 0.276 761 E C -1.600 174.698 176.600 -0.504 0.000 0.974 761 E CA -0.436 55.808 56.400 -0.261 0.000 0.815 761 E CB 2.003 31.549 29.700 -0.256 0.000 1.119 761 E HN 0.465 nan 8.360 nan 0.000 0.393 762 V N 3.530 123.232 119.914 -0.353 0.000 2.925 762 V HA 0.338 4.459 4.120 0.002 0.000 0.311 762 V C -0.738 175.335 176.094 -0.035 0.000 1.104 762 V CA -0.891 61.307 62.300 -0.169 0.000 0.954 762 V CB 2.242 34.096 31.823 0.051 0.000 1.022 762 V HN 0.739 nan 8.190 nan 0.000 0.427 763 D N 1.512 121.962 120.400 0.083 0.000 2.350 763 D HA 0.667 5.308 4.640 0.002 0.000 0.245 763 D C -1.439 174.970 176.300 0.181 0.000 1.036 763 D CA -0.142 53.951 54.000 0.155 0.000 0.848 763 D CB 2.754 43.683 40.800 0.215 0.000 1.307 763 D HN 0.285 nan 8.370 nan 0.000 0.469 764 V N 2.688 122.705 119.914 0.172 0.000 2.525 764 V HA 0.225 4.346 4.120 0.002 0.000 0.299 764 V C -0.563 175.596 176.094 0.107 0.000 1.034 764 V CA -0.914 61.484 62.300 0.163 0.000 0.863 764 V CB 2.142 34.108 31.823 0.238 0.000 0.999 764 V HN 0.420 nan 8.190 nan 0.000 0.423 765 D N 3.486 123.939 120.400 0.088 0.000 2.193 765 D HA 0.822 5.463 4.640 0.002 0.000 0.244 765 D C -0.048 176.279 176.300 0.045 0.000 1.064 765 D CA 0.214 54.250 54.000 0.060 0.000 0.845 765 D CB 2.344 43.176 40.800 0.054 0.000 1.148 765 D HN 0.825 nan 8.370 nan 0.000 0.464 766 A N 2.175 125.014 122.820 0.032 0.000 2.593 766 A HA 0.761 5.082 4.320 0.002 0.000 0.290 766 A C -1.272 176.320 177.584 0.013 0.000 1.126 766 A CA -0.634 51.412 52.037 0.016 0.000 0.695 766 A CB 1.281 20.284 19.000 0.004 0.000 1.290 766 A HN 0.493 nan 8.150 nan 0.000 0.414 767 I N 0.288 120.860 120.570 0.003 0.000 2.466 767 I HA 0.420 4.591 4.170 0.002 0.000 0.289 767 I C -0.862 175.246 176.117 -0.016 0.000 1.026 767 I CA -0.464 60.843 61.300 0.012 0.000 1.078 767 I CB 1.784 39.803 38.000 0.032 0.000 1.249 767 I HN 0.646 nan 8.210 nan 0.000 0.429 768 C N 5.520 124.811 119.300 -0.015 0.000 2.379 768 C HA 0.449 4.910 4.460 0.002 0.000 0.323 768 C C 0.641 175.649 174.990 0.030 0.000 1.262 768 C CA -0.384 58.613 59.018 -0.035 0.000 1.581 768 C CB 0.662 28.353 27.740 -0.081 0.000 2.221 768 C HN 0.918 nan 8.230 nan 0.000 0.497 769 D N 1.772 122.211 120.400 0.065 0.000 2.431 769 D HA 0.262 4.903 4.640 0.002 0.000 0.213 769 D C 1.324 177.694 176.300 0.118 0.000 1.130 769 D CA 0.709 54.758 54.000 0.082 0.000 0.834 769 D CB 0.081 40.923 40.800 0.070 0.000 0.985 769 D HN 1.194 nan 8.370 nan 0.000 0.504 770 G N 0.640 109.553 108.800 0.187 0.000 2.299 770 G HA2 -0.365 3.596 3.960 0.002 0.000 0.237 770 G HA3 -0.365 3.596 3.960 0.002 0.000 0.237 770 G C 1.075 176.133 174.900 0.265 0.000 1.027 770 G CA 0.385 45.621 45.100 0.227 0.000 0.619 770 G HN 0.424 nan 8.290 nan 0.000 0.513 771 E N -0.214 120.124 120.200 0.229 0.000 2.132 771 E HA 0.391 4.742 4.350 0.002 0.000 0.193 771 E C 1.417 178.194 176.600 0.296 0.000 0.951 771 E CA 1.104 57.610 56.400 0.178 0.000 0.843 771 E CB 0.088 29.849 29.700 0.102 0.000 0.807 771 E HN 0.762 nan 8.360 nan 0.000 0.467 772 M N -1.285 118.490 119.600 0.291 0.000 2.664 772 M HA 0.555 5.036 4.480 0.002 0.000 0.279 772 M C -1.183 175.173 176.300 0.092 0.000 1.275 772 M CA -1.050 54.412 55.300 0.270 0.000 0.829 772 M CB 2.323 35.010 32.600 0.145 0.000 1.727 772 M HN -0.350 nan 8.290 nan 0.000 0.459 773 V N 1.998 121.902 119.914 -0.016 0.000 2.459 773 V HA 0.583 4.704 4.120 0.002 0.000 0.295 773 V C -1.092 174.977 176.094 -0.041 0.000 1.029 773 V CA -0.699 61.524 62.300 -0.129 0.000 0.874 773 V CB 1.745 33.392 31.823 -0.292 0.000 0.985 773 V HN 0.738 nan 8.190 nan 0.000 0.438 774 L N 6.219 127.424 121.223 -0.030 0.000 2.280 774 L HA 0.571 4.912 4.340 0.002 0.000 0.287 774 L C -0.428 176.436 176.870 -0.009 0.000 1.023 774 L CA -0.015 54.820 54.840 -0.009 0.000 0.819 774 L CB 0.989 43.050 42.059 0.004 0.000 1.212 774 L HN 0.428 nan 8.230 nan 0.000 0.420 775 I N 5.777 126.343 120.570 -0.006 0.000 2.363 775 I HA 0.184 4.355 4.170 0.002 0.000 0.292 775 I C 1.404 177.523 176.117 0.003 0.000 1.075 775 I CA 0.291 61.593 61.300 0.003 0.000 1.333 775 I CB 0.513 38.515 38.000 0.003 0.000 1.415 775 I HN 0.846 nan 8.210 nan 0.000 0.502 776 G N 5.423 114.230 108.800 0.012 0.000 2.395 776 G HA2 0.233 4.194 3.960 0.002 0.000 0.214 776 G HA3 0.233 4.194 3.960 0.002 0.000 0.214 776 G C 0.646 175.550 174.900 0.007 0.000 1.177 776 G CA 0.600 45.704 45.100 0.007 0.000 0.794 776 G HN 0.777 nan 8.290 nan 0.000 0.532 777 G N -0.862 107.957 108.800 0.032 0.000 2.691 777 G HA2 0.459 4.420 3.960 0.002 0.000 0.298 777 G HA3 0.459 4.420 3.960 0.002 0.000 0.298 777 G C -1.437 173.512 174.900 0.082 0.000 1.471 777 G CA -0.839 44.289 45.100 0.045 0.000 0.912 777 G HN 0.158 nan 8.290 nan 0.000 0.553 778 I N 1.942 122.559 120.570 0.079 0.000 2.307 778 I HA 0.353 4.524 4.170 0.002 0.000 0.289 778 I C -0.024 176.182 176.117 0.148 0.000 1.021 778 I CA -0.320 61.039 61.300 0.098 0.000 1.224 778 I CB 1.488 39.520 38.000 0.053 0.000 1.376 778 I HN 0.207 nan 8.210 nan 0.000 0.470 779 M N 6.244 125.961 119.600 0.194 0.000 2.149 779 M HA 0.293 4.774 4.480 0.002 0.000 0.342 779 M C -0.176 176.281 176.300 0.261 0.000 1.068 779 M CA -0.250 55.212 55.300 0.270 0.000 0.991 779 M CB 1.600 34.386 32.600 0.311 0.000 1.596 779 M HN 0.459 nan 8.290 nan 0.000 0.439 780 E N 3.758 124.136 120.200 0.297 0.000 2.156 780 E HA 0.241 4.592 4.350 0.002 0.000 0.279 780 E C -1.016 175.831 176.600 0.412 0.000 0.965 780 E CA -0.521 56.040 56.400 0.268 0.000 0.789 780 E CB 0.866 30.698 29.700 0.220 0.000 1.098 780 E HN 0.663 nan 8.360 nan 0.000 0.397 781 H N 3.555 122.741 119.070 0.194 0.000 2.707 781 H HA 0.028 4.585 4.556 0.002 0.000 0.359 781 H C 0.814 176.296 175.328 0.256 0.000 1.113 781 H CA -0.734 55.428 56.048 0.189 0.000 1.422 781 H CB 1.204 31.046 29.762 0.133 0.000 1.443 781 H HN 0.561 nan 8.280 nan 0.000 0.591 782 I N 1.455 122.248 120.570 0.372 0.000 2.193 782 I HA -0.136 4.035 4.170 0.002 0.000 0.240 782 I C 0.660 176.942 176.117 0.276 0.000 1.084 782 I CA 1.124 62.629 61.300 0.342 0.000 1.365 782 I CB -0.154 38.025 38.000 0.298 0.000 1.064 782 I HN 0.607 nan 8.210 nan 0.000 0.410 783 E N 2.014 122.358 120.200 0.240 0.000 2.373 783 E HA 0.070 4.421 4.350 0.002 0.000 0.267 783 E C 0.163 176.902 176.600 0.231 0.000 1.032 783 E CA -0.328 56.196 56.400 0.207 0.000 0.889 783 E CB 0.213 30.014 29.700 0.168 0.000 0.984 783 E HN 0.152 nan 8.360 nan 0.000 0.425 784 Q N 1.504 121.417 119.800 0.187 0.000 2.535 784 Q HA 0.228 4.569 4.340 0.002 0.000 0.228 784 Q C -0.333 175.776 176.000 0.180 0.000 1.062 784 Q CA -0.483 55.413 55.803 0.155 0.000 0.967 784 Q CB 0.414 29.226 28.738 0.124 0.000 1.273 784 Q HN 0.492 nan 8.270 nan 0.000 0.554 785 A N -0.081 122.808 122.820 0.114 0.000 2.540 785 A HA 0.432 4.753 4.320 0.002 0.000 0.239 785 A C 1.152 178.908 177.584 0.286 0.000 1.061 785 A CA 0.797 52.907 52.037 0.123 0.000 0.758 785 A CB -0.827 18.161 19.000 -0.020 0.000 0.991 785 A HN 1.448 nan 8.150 nan 0.000 0.502 786 G N 0.690 109.673 108.800 0.305 0.000 2.284 786 G HA2 -0.094 3.867 3.960 0.002 0.000 0.201 786 G HA3 -0.094 3.867 3.960 0.002 0.000 0.201 786 G C 0.024 175.017 174.900 0.154 0.000 0.998 786 G CA 0.027 45.306 45.100 0.299 0.000 0.651 786 G HN 1.425 nan 8.290 nan 0.000 0.489 787 V N 3.181 123.202 119.914 0.179 0.000 2.357 787 V HA 0.434 4.555 4.120 0.002 0.000 0.284 787 V C 0.773 176.970 176.094 0.171 0.000 1.018 787 V CA -1.082 61.315 62.300 0.160 0.000 0.841 787 V CB 1.282 33.198 31.823 0.155 0.000 0.991 787 V HN 0.423 nan 8.190 nan 0.000 0.437 788 H N 3.479 122.596 119.070 0.077 0.000 3.163 788 H HA -0.102 4.455 4.556 0.002 0.000 0.321 788 H C 1.619 176.971 175.328 0.041 0.000 1.006 788 H CA 1.174 57.260 56.048 0.063 0.000 1.344 788 H CB 1.114 30.895 29.762 0.031 0.000 1.272 788 H HN 0.877 nan 8.280 nan 0.000 0.594 789 S N 2.645 118.286 115.700 -0.099 0.000 2.383 789 S HA -0.132 4.339 4.470 0.002 0.000 0.229 789 S C 2.250 176.844 174.600 -0.010 0.000 1.030 789 S CA 0.865 59.026 58.200 -0.064 0.000 1.002 789 S CB -0.500 62.762 63.200 0.103 0.000 0.829 789 S HN 0.724 nan 8.310 nan 0.000 0.467 790 G N 0.889 109.898 108.800 0.349 0.000 2.509 790 G HA2 -0.040 3.921 3.960 0.002 0.000 0.218 790 G HA3 -0.040 3.921 3.960 0.002 0.000 0.218 790 G C 0.648 175.577 174.900 0.049 0.000 1.124 790 G CA 0.791 46.005 45.100 0.190 0.000 0.776 790 G HN 0.548 nan 8.290 nan 0.000 0.547 791 D N -0.384 120.057 120.400 0.068 0.000 2.440 791 D HA 0.215 4.856 4.640 0.002 0.000 0.216 791 D C 0.358 176.656 176.300 -0.005 0.000 1.150 791 D CA -0.007 54.007 54.000 0.024 0.000 0.832 791 D CB 0.809 41.649 40.800 0.067 0.000 0.992 791 D HN 0.036 nan 8.370 nan 0.000 0.502 792 S N 0.451 116.099 115.700 -0.086 0.000 2.578 792 S HA 0.712 5.183 4.470 0.002 0.000 0.283 792 S C 0.262 174.783 174.600 -0.131 0.000 1.195 792 S CA -0.730 57.397 58.200 -0.122 0.000 1.050 792 S CB 1.987 64.980 63.200 -0.344 0.000 1.012 792 S HN 0.231 nan 8.310 nan 0.000 0.511 793 A N 1.059 123.870 122.820 -0.015 0.000 2.313 793 A HA 0.676 4.997 4.320 0.002 0.000 0.261 793 A C 0.331 177.923 177.584 0.014 0.000 1.090 793 A CA -0.497 51.534 52.037 -0.010 0.000 0.807 793 A CB -0.369 18.718 19.000 0.145 0.000 1.055 793 A HN 1.271 nan 8.150 nan 0.000 0.492 794 C N -0.828 118.473 119.300 0.002 0.000 3.288 794 C HA 0.866 5.327 4.460 0.002 0.000 0.318 794 C C -0.363 174.751 174.990 0.206 0.000 1.356 794 C CA -0.336 58.758 59.018 0.127 0.000 1.359 794 C CB 0.918 28.723 27.740 0.108 0.000 1.688 794 C HN 1.257 nan 8.230 nan 0.000 0.467 795 S N 0.880 116.796 115.700 0.360 0.000 2.526 795 S HA 0.813 5.284 4.470 0.002 0.000 0.293 795 S C -1.399 173.490 174.600 0.482 0.000 1.092 795 S CA -0.535 57.952 58.200 0.478 0.000 0.980 795 S CB 1.256 64.780 63.200 0.540 0.000 1.048 795 S HN 1.116 nan 8.310 nan 0.000 0.483 796 L N 6.090 127.610 121.223 0.495 0.000 2.446 796 L HA 0.583 4.924 4.340 0.002 0.000 0.268 796 L C -2.638 174.367 176.870 0.225 0.000 0.975 796 L CA -1.994 53.039 54.840 0.321 0.000 0.848 796 L CB 2.382 44.590 42.059 0.248 0.000 1.225 796 L HN 0.516 nan 8.230 nan 0.000 0.410 797 P HA 0.249 nan 4.420 nan 0.000 0.279 797 P C -0.666 176.827 177.300 0.321 0.000 1.276 797 P CA -0.431 62.742 63.100 0.122 0.000 0.801 797 P CB 0.761 32.434 31.700 -0.046 0.000 1.127 798 A N 0.711 123.669 122.820 0.231 0.000 2.586 798 A HA 0.003 4.324 4.320 0.002 0.000 0.231 798 A C 0.612 178.400 177.584 0.340 0.000 1.055 798 A CA 0.486 52.675 52.037 0.254 0.000 0.756 798 A CB -0.943 18.116 19.000 0.099 0.000 0.988 798 A HN 0.788 nan 8.150 nan 0.000 0.509 799 Y N -0.421 119.915 120.300 0.060 0.000 2.430 799 Y HA 0.297 4.848 4.550 0.002 0.000 0.248 799 Y C 1.497 177.307 175.900 -0.149 0.000 1.108 799 Y CA 0.660 58.719 58.100 -0.069 0.000 1.264 799 Y CB 0.288 38.447 38.460 -0.502 0.000 1.172 799 Y HN 0.641 nan 8.280 nan 0.000 0.520 800 T N -1.805 112.367 114.554 -0.637 0.000 2.993 800 T HA 0.311 4.662 4.350 0.002 0.000 0.260 800 T C 0.130 174.651 174.700 -0.297 0.000 0.939 800 T CA -0.260 61.511 62.100 -0.548 0.000 0.886 800 T CB -0.500 67.903 68.868 -0.774 0.000 1.209 800 T HN 0.143 nan 8.240 nan 0.000 0.518 801 L N 4.137 125.230 121.223 -0.215 0.000 2.410 801 L HA 0.415 4.756 4.340 0.002 0.000 0.273 801 L C 0.948 177.760 176.870 -0.096 0.000 1.152 801 L CA -0.645 54.114 54.840 -0.135 0.000 0.855 801 L CB 0.930 42.928 42.059 -0.101 0.000 1.129 801 L HN 0.448 nan 8.230 nan 0.000 0.463 802 S N 1.835 117.479 115.700 -0.092 0.000 2.573 802 S HA -0.046 4.425 4.470 0.002 0.000 0.277 802 S C 0.663 175.223 174.600 -0.066 0.000 1.346 802 S CA -0.445 57.711 58.200 -0.074 0.000 1.034 802 S CB 1.356 64.514 63.200 -0.070 0.000 0.879 802 S HN 0.685 nan 8.310 nan 0.000 0.528 803 Q N 1.128 120.895 119.800 -0.054 0.000 2.167 803 Q HA -0.147 4.194 4.340 0.002 0.000 0.202 803 Q C 2.134 178.099 176.000 -0.058 0.000 0.970 803 Q CA 2.127 57.900 55.803 -0.051 0.000 0.855 803 Q CB -0.294 28.420 28.738 -0.040 0.000 0.911 803 Q HN 0.987 nan 8.270 nan 0.000 0.438 804 E N -0.614 119.551 120.200 -0.058 0.000 2.072 804 E HA -0.184 4.167 4.350 0.002 0.000 0.191 804 E C 1.710 178.264 176.600 -0.077 0.000 0.985 804 E CA 1.029 57.393 56.400 -0.060 0.000 0.801 804 E CB -0.281 29.388 29.700 -0.052 0.000 0.750 804 E HN 0.352 nan 8.360 nan 0.000 0.452 805 I N 1.457 121.975 120.570 -0.087 0.000 2.394 805 I HA -0.185 3.986 4.170 0.002 0.000 0.251 805 I C 2.344 178.373 176.117 -0.146 0.000 1.136 805 I CA 1.296 62.528 61.300 -0.113 0.000 1.425 805 I CB -0.684 37.251 38.000 -0.108 0.000 1.079 805 I HN 0.306 nan 8.210 nan 0.000 0.425 806 Q N -0.048 119.679 119.800 -0.121 0.000 2.119 806 Q HA -0.202 4.139 4.340 0.002 0.000 0.201 806 Q C 1.630 177.553 176.000 -0.127 0.000 0.972 806 Q CA 1.310 57.036 55.803 -0.129 0.000 0.847 806 Q CB 0.031 28.720 28.738 -0.082 0.000 0.903 806 Q HN 0.451 nan 8.270 nan 0.000 0.433 807 D N -0.123 120.219 120.400 -0.097 0.000 2.218 807 D HA -0.113 4.528 4.640 0.002 0.000 0.204 807 D C 1.856 178.101 176.300 -0.092 0.000 0.976 807 D CA 0.726 54.679 54.000 -0.078 0.000 0.853 807 D CB 0.123 40.889 40.800 -0.056 0.000 0.939 807 D HN 0.062 nan 8.370 nan 0.000 0.481 808 V N 0.899 120.740 119.914 -0.121 0.000 2.358 808 V HA -0.216 3.906 4.120 0.002 0.000 0.246 808 V C 2.488 178.471 176.094 -0.185 0.000 1.047 808 V CA 1.225 63.446 62.300 -0.131 0.000 1.035 808 V CB -0.282 31.457 31.823 -0.141 0.000 0.658 808 V HN 0.188 nan 8.190 nan 0.000 0.452 809 M N -0.967 118.440 119.600 -0.322 0.000 2.132 809 M HA -0.175 4.306 4.480 0.002 0.000 0.263 809 M C 2.424 178.617 176.300 -0.179 0.000 1.065 809 M CA 1.793 56.769 55.300 -0.540 0.000 1.122 809 M CB -0.501 31.518 32.600 -0.969 0.000 1.365 809 M HN 0.126 nan 8.290 nan 0.000 0.411 810 R N 0.046 120.479 120.500 -0.111 0.000 2.117 810 R HA -0.201 4.140 4.340 0.002 0.000 0.243 810 R C 2.229 178.531 176.300 0.004 0.000 1.143 810 R CA 1.760 57.845 56.100 -0.026 0.000 0.968 810 R CB -0.231 30.050 30.300 -0.032 0.000 0.863 810 R HN 0.485 nan 8.270 nan 0.000 0.444 811 Q N -0.128 119.666 119.800 -0.010 0.000 2.016 811 Q HA -0.178 4.163 4.340 0.002 0.000 0.200 811 Q C 2.176 178.207 176.000 0.052 0.000 0.978 811 Q CA 1.434 57.248 55.803 0.018 0.000 0.833 811 Q CB 0.068 28.812 28.738 0.009 0.000 0.895 811 Q HN 0.409 nan 8.270 nan 0.000 0.427 812 Q N -0.289 119.554 119.800 0.072 0.000 2.181 812 Q HA -0.170 4.171 4.340 0.002 0.000 0.205 812 Q C 2.163 178.268 176.000 0.175 0.000 0.980 812 Q CA 1.364 57.255 55.803 0.147 0.000 0.862 812 Q CB -0.075 28.816 28.738 0.256 0.000 0.905 812 Q HN 0.240 nan 8.270 nan 0.000 0.429 813 V N 0.888 120.918 119.914 0.194 0.000 2.307 813 V HA -0.292 3.829 4.120 0.002 0.000 0.245 813 V C 2.331 178.432 176.094 0.012 0.000 1.045 813 V CA 2.037 64.420 62.300 0.138 0.000 1.024 813 V CB -0.537 31.377 31.823 0.151 0.000 0.651 813 V HN 0.408 nan 8.190 nan 0.000 0.449 814 Q N -0.196 119.592 119.800 -0.021 0.000 2.084 814 Q HA -0.283 4.058 4.340 0.002 0.000 0.202 814 Q C 2.305 178.257 176.000 -0.081 0.000 0.978 814 Q CA 1.967 57.686 55.803 -0.140 0.000 0.844 814 Q CB -0.033 28.676 28.738 -0.048 0.000 0.898 814 Q HN 0.539 nan 8.270 nan 0.000 0.426 815 K N 0.035 120.474 120.400 0.063 0.000 2.063 815 K HA -0.123 4.198 4.320 0.002 0.000 0.208 815 K C 2.023 178.685 176.600 0.103 0.000 1.048 815 K CA 1.286 57.651 56.287 0.130 0.000 0.928 815 K CB -0.077 32.484 32.500 0.101 0.000 0.713 815 K HN 0.205 nan 8.250 nan 0.000 0.442 816 L N -0.157 121.106 121.223 0.065 0.000 2.056 816 L HA -0.167 4.174 4.340 0.002 0.000 0.207 816 L C 2.444 179.335 176.870 0.035 0.000 1.078 816 L CA 1.144 56.025 54.840 0.068 0.000 0.749 816 L CB -0.536 41.570 42.059 0.079 0.000 0.901 816 L HN 0.232 nan 8.230 nan 0.000 0.433 817 A N 0.082 122.866 122.820 -0.060 0.000 1.883 817 A HA -0.240 4.081 4.320 0.002 0.000 0.217 817 A C 2.025 179.576 177.584 -0.055 0.000 1.186 817 A CA 1.792 53.753 52.037 -0.127 0.000 0.624 817 A CB -0.819 17.995 19.000 -0.311 0.000 0.822 817 A HN 0.295 nan 8.150 nan 0.000 0.444 818 F N -0.238 119.739 119.950 0.044 0.000 2.146 818 F HA -0.041 4.488 4.527 0.002 0.000 0.298 818 F C 2.351 178.172 175.800 0.034 0.000 1.096 818 F CA 1.459 59.480 58.000 0.035 0.000 1.275 818 F CB -0.824 38.194 39.000 0.030 0.000 1.008 818 F HN 0.370 nan 8.300 nan 0.000 0.480 819 E N 0.688 121.027 120.200 0.231 0.000 2.077 819 E HA -0.151 4.200 4.350 0.002 0.000 0.193 819 E C 1.930 178.598 176.600 0.115 0.000 0.989 819 E CA 1.288 57.776 56.400 0.147 0.000 0.800 819 E CB -0.471 29.295 29.700 0.110 0.000 0.746 819 E HN 0.412 nan 8.360 nan 0.000 0.452 820 L N 0.128 121.414 121.223 0.105 0.000 2.552 820 L HA 0.033 4.374 4.340 0.002 0.000 0.227 820 L C 0.286 177.204 176.870 0.080 0.000 1.146 820 L CA 0.318 55.212 54.840 0.089 0.000 0.858 820 L CB -0.145 41.967 42.059 0.087 0.000 0.969 820 L HN 0.196 nan 8.230 nan 0.000 0.451 821 Q N -0.730 119.130 119.800 0.100 0.000 2.493 821 Q HA -0.141 4.200 4.340 0.002 0.000 0.278 821 Q C -0.233 175.811 176.000 0.073 0.000 1.216 821 Q CA 0.272 56.133 55.803 0.096 0.000 0.875 821 Q CB -2.356 26.426 28.738 0.073 0.000 1.262 821 Q HN 0.233 nan 8.270 nan 0.000 0.468 822 V N 1.501 121.450 119.914 0.060 0.000 2.843 822 V HA 0.144 4.265 4.120 0.002 0.000 0.305 822 V C 1.008 177.129 176.094 0.045 0.000 1.065 822 V CA 0.520 62.843 62.300 0.039 0.000 1.116 822 V CB 0.961 32.791 31.823 0.012 0.000 0.968 822 V HN 0.170 nan 8.190 nan 0.000 0.487 823 R N 3.436 123.961 120.500 0.041 0.000 2.721 823 R HA 0.579 4.920 4.340 0.002 0.000 0.272 823 R C 0.228 176.553 176.300 0.043 0.000 1.721 823 R CA 0.377 56.502 56.100 0.042 0.000 1.325 823 R CB 1.002 31.324 30.300 0.036 0.000 1.271 823 R HN 1.123 nan 8.270 nan 0.000 0.556 824 G N 1.163 109.996 108.800 0.055 0.000 2.358 824 G HA2 -0.169 3.792 3.960 0.002 0.000 0.198 824 G HA3 -0.169 3.792 3.960 0.002 0.000 0.198 824 G C -0.958 173.997 174.900 0.093 0.000 1.220 824 G CA -0.982 44.170 45.100 0.087 0.000 1.187 824 G HN 0.280 nan 8.290 nan 0.000 0.544 825 L N 1.549 122.858 121.223 0.143 0.000 2.452 825 L HA 0.691 5.032 4.340 0.002 0.000 0.267 825 L C 1.015 177.930 176.870 0.075 0.000 1.188 825 L CA 0.434 55.336 54.840 0.104 0.000 0.821 825 L CB 0.950 43.069 42.059 0.101 0.000 1.102 825 L HN 0.938 nan 8.230 nan 0.000 0.470 826 M N 1.679 121.308 119.600 0.048 0.000 2.578 826 M HA 0.474 4.955 4.480 0.002 0.000 0.276 826 M C -1.866 174.450 176.300 0.028 0.000 1.245 826 M CA -0.757 54.563 55.300 0.033 0.000 0.871 826 M CB 2.423 35.032 32.600 0.014 0.000 1.722 826 M HN 0.533 nan 8.290 nan 0.000 0.473 827 N N 1.447 120.156 118.700 0.015 0.000 2.260 827 N HA 0.709 5.450 4.740 0.002 0.000 0.293 827 N C -2.354 173.136 175.510 -0.033 0.000 1.058 827 N CA -0.296 52.762 53.050 0.012 0.000 0.824 827 N CB 2.956 41.460 38.487 0.028 0.000 1.551 827 N HN 0.667 nan 8.380 nan 0.000 0.475 828 V N 2.332 122.221 119.914 -0.042 0.000 2.638 828 V HA 0.410 4.531 4.120 0.002 0.000 0.306 828 V C -0.712 175.245 176.094 -0.228 0.000 1.052 828 V CA -0.774 61.420 62.300 -0.177 0.000 0.885 828 V CB 1.866 33.564 31.823 -0.209 0.000 0.999 828 V HN 0.612 nan 8.190 nan 0.000 0.424 829 Q N 3.585 123.188 119.800 -0.328 0.000 2.322 829 Q HA 0.699 5.040 4.340 0.002 0.000 0.265 829 Q C -1.618 174.151 176.000 -0.384 0.000 0.985 829 Q CA -0.311 55.350 55.803 -0.236 0.000 0.849 829 Q CB 2.495 31.155 28.738 -0.129 0.000 1.274 829 Q HN 0.633 nan 8.270 nan 0.000 0.449 830 F N 0.489 120.428 119.950 -0.019 0.000 2.618 830 F HA 0.793 5.321 4.527 0.002 0.000 0.332 830 F C -0.086 175.695 175.800 -0.033 0.000 1.061 830 F CA -1.062 56.941 58.000 0.006 0.000 0.974 830 F CB 1.655 40.658 39.000 0.005 0.000 1.310 830 F HN 0.514 nan 8.300 nan 0.000 0.491 831 A N 0.711 123.690 122.820 0.266 0.000 2.371 831 A HA 0.773 5.095 4.320 0.002 0.000 0.311 831 A C -1.749 175.940 177.584 0.175 0.000 1.068 831 A CA -0.668 51.437 52.037 0.112 0.000 0.744 831 A CB 1.296 20.288 19.000 -0.012 0.000 1.239 831 A HN 0.489 nan 8.150 nan 0.000 0.435 832 V N 2.859 122.817 119.914 0.072 0.000 2.334 832 V HA 0.462 4.583 4.120 0.002 0.000 0.281 832 V C 0.031 176.150 176.094 0.041 0.000 1.016 832 V CA -0.440 61.908 62.300 0.079 0.000 0.832 832 V CB 1.054 32.877 31.823 0.001 0.000 0.999 832 V HN 0.830 nan 8.190 nan 0.000 0.439 833 K N 3.695 124.175 120.400 0.134 0.000 2.426 833 K HA 0.423 4.744 4.320 0.002 0.000 0.254 833 K C 0.168 176.842 176.600 0.122 0.000 0.936 833 K CA -0.637 55.687 56.287 0.061 0.000 0.801 833 K CB 0.920 33.358 32.500 -0.105 0.000 1.139 833 K HN 0.772 nan 8.250 nan 0.000 0.424 834 N N 3.540 122.264 118.700 0.040 0.000 2.714 834 N HA -0.285 4.456 4.740 0.002 0.000 0.252 834 N C -0.566 174.961 175.510 0.027 0.000 1.014 834 N CA 0.870 53.939 53.050 0.031 0.000 0.735 834 N CB -0.989 37.527 38.487 0.049 0.000 0.924 834 N HN 0.931 nan 8.380 nan 0.000 0.540 835 N N -1.071 117.633 118.700 0.008 0.000 2.741 835 N HA -0.207 4.534 4.740 0.002 0.000 0.250 835 N C -1.410 174.089 175.510 -0.018 0.000 1.115 835 N CA 1.055 54.095 53.050 -0.016 0.000 0.724 835 N CB -0.178 38.291 38.487 -0.030 0.000 1.090 835 N HN 0.502 nan 8.380 nan 0.000 0.558 836 E N 0.411 120.628 120.200 0.029 0.000 2.234 836 E HA 0.309 4.660 4.350 0.002 0.000 0.266 836 E C -0.524 176.073 176.600 -0.004 0.000 0.877 836 E CA -0.654 55.720 56.400 -0.043 0.000 0.758 836 E CB 2.638 32.308 29.700 -0.051 0.000 1.170 836 E HN -0.028 nan 8.360 nan 0.000 0.415 837 V N 4.036 123.871 119.914 -0.130 0.000 2.432 837 V HA 0.274 4.395 4.120 0.002 0.000 0.275 837 V C -0.737 175.331 176.094 -0.042 0.000 1.043 837 V CA -0.183 62.106 62.300 -0.018 0.000 0.925 837 V CB -0.110 31.657 31.823 -0.093 0.000 0.985 837 V HN 0.521 nan 8.190 nan 0.000 0.466 838 Y N 4.054 124.442 120.300 0.146 0.000 2.485 838 Y HA 0.581 5.132 4.550 0.002 0.000 0.345 838 Y C -0.272 175.757 175.900 0.214 0.000 0.998 838 Y CA -1.302 56.882 58.100 0.140 0.000 1.059 838 Y CB 1.737 40.236 38.460 0.065 0.000 1.234 838 Y HN 0.306 nan 8.280 nan 0.000 0.461 839 L N 3.266 124.657 121.223 0.280 0.000 2.289 839 L HA 0.357 4.698 4.340 0.002 0.000 0.285 839 L C 0.272 177.204 176.870 0.104 0.000 1.049 839 L CA 0.206 55.109 54.840 0.105 0.000 0.804 839 L CB 0.853 42.984 42.059 0.120 0.000 1.195 839 L HN 0.834 nan 8.230 nan 0.000 0.428 840 I N 2.008 122.569 120.570 -0.015 0.000 2.729 840 I HA 0.080 4.251 4.170 0.002 0.000 0.256 840 I C 0.247 176.342 176.117 -0.036 0.000 1.115 840 I CA 0.280 61.577 61.300 -0.005 0.000 1.446 840 I CB 0.627 38.602 38.000 -0.042 0.000 1.176 840 I HN 0.733 nan 8.210 nan 0.000 0.446 841 E N -0.552 119.561 120.200 -0.145 0.000 2.398 841 E HA 0.349 4.700 4.350 0.002 0.000 0.280 841 E C -1.719 174.677 176.600 -0.339 0.000 1.122 841 E CA -0.739 55.474 56.400 -0.313 0.000 0.873 841 E CB 1.834 31.357 29.700 -0.296 0.000 1.294 841 E HN -0.216 nan 8.360 nan 0.000 0.435 842 V N 2.131 121.737 119.914 -0.512 0.000 2.487 842 V HA 0.470 4.591 4.120 0.002 0.000 0.298 842 V C -0.854 175.094 176.094 -0.243 0.000 1.028 842 V CA -0.893 61.230 62.300 -0.295 0.000 0.860 842 V CB 1.609 33.335 31.823 -0.161 0.000 0.991 842 V HN 0.631 nan 8.190 nan 0.000 0.427 843 N N 6.236 124.859 118.700 -0.127 0.000 2.564 843 N HA 0.328 5.069 4.740 0.002 0.000 0.248 843 N C -2.698 172.798 175.510 -0.024 0.000 0.986 843 N CA -1.277 51.730 53.050 -0.071 0.000 0.921 843 N CB 2.434 40.905 38.487 -0.027 0.000 1.136 843 N HN 0.367 nan 8.380 nan 0.000 0.509 844 P HA 0.095 nan 4.420 nan 0.000 0.228 844 P C -0.287 177.037 177.300 0.041 0.000 1.748 844 P CA 0.249 63.356 63.100 0.011 0.000 0.909 844 P CB -0.102 31.603 31.700 0.008 0.000 1.882 845 R N -1.720 118.817 120.500 0.063 0.000 2.907 845 R HA 0.731 5.072 4.340 0.002 0.000 0.266 845 R C -1.243 175.136 176.300 0.132 0.000 1.031 845 R CA -1.183 54.987 56.100 0.117 0.000 0.904 845 R CB 0.102 30.465 30.300 0.105 0.000 1.358 845 R HN -0.138 nan 8.270 nan 0.000 0.438 846 A N 0.723 123.647 122.820 0.174 0.000 2.492 846 A HA 0.564 4.885 4.320 0.002 0.000 0.254 846 A C 0.208 177.900 177.584 0.180 0.000 1.091 846 A CA 0.289 52.374 52.037 0.080 0.000 0.768 846 A CB -0.054 18.865 19.000 -0.135 0.000 1.028 846 A HN 0.785 nan 8.150 nan 0.000 0.498 847 A N 2.281 125.159 122.820 0.096 0.000 2.256 847 A HA 0.587 4.908 4.320 0.002 0.000 0.318 847 A C 1.325 178.851 177.584 -0.096 0.000 1.103 847 A CA -0.216 51.897 52.037 0.126 0.000 0.860 847 A CB 0.366 19.414 19.000 0.080 0.000 1.182 847 A HN 1.049 nan 8.150 nan 0.000 0.501 848 R N -0.717 119.666 120.500 -0.195 0.000 2.237 848 R HA -0.088 4.253 4.340 0.002 0.000 0.219 848 R C 0.922 177.069 176.300 -0.254 0.000 1.080 848 R CA 1.901 57.702 56.100 -0.497 0.000 0.995 848 R CB -0.950 29.112 30.300 -0.397 0.000 0.875 848 R HN 0.652 nan 8.270 nan 0.000 0.462 849 T N -1.922 112.573 114.554 -0.099 0.000 3.118 849 T HA 0.101 4.452 4.350 0.002 0.000 0.260 849 T C 1.855 176.567 174.700 0.020 0.000 1.139 849 T CA 0.387 62.485 62.100 -0.003 0.000 1.085 849 T CB -0.001 68.915 68.868 0.080 0.000 0.934 849 T HN 0.022 nan 8.240 nan 0.000 0.518 850 V N 3.040 122.912 119.914 -0.069 0.000 2.252 850 V HA -0.145 3.976 4.120 0.002 0.000 0.249 850 V C -0.072 175.967 176.094 -0.092 0.000 1.056 850 V CA 2.147 64.406 62.300 -0.068 0.000 1.022 850 V CB -1.473 30.289 31.823 -0.101 0.000 0.641 850 V HN 0.409 nan 8.190 nan 0.000 0.445 851 P HA -0.204 nan 4.420 nan 0.000 0.215 851 P C 1.739 178.908 177.300 -0.218 0.000 1.153 851 P CA 1.629 64.462 63.100 -0.445 0.000 0.853 851 P CB -0.192 30.893 31.700 -1.025 0.000 0.788 852 F N 0.483 120.299 119.950 -0.224 0.000 2.102 852 F HA -0.203 4.325 4.527 0.002 0.000 0.298 852 F C 1.916 177.692 175.800 -0.039 0.000 1.105 852 F CA 1.367 59.297 58.000 -0.117 0.000 1.239 852 F CB -0.737 38.208 39.000 -0.092 0.000 0.991 852 F HN -0.313 nan 8.300 nan 0.000 0.474 853 V N -0.104 119.743 119.914 -0.112 0.000 2.343 853 V HA -0.293 3.828 4.120 0.002 0.000 0.247 853 V C 2.437 178.442 176.094 -0.148 0.000 1.051 853 V CA 2.052 64.251 62.300 -0.167 0.000 1.036 853 V CB -0.956 30.863 31.823 -0.007 0.000 0.654 853 V HN 0.395 nan 8.190 nan 0.000 0.451 854 S N -0.482 115.171 115.700 -0.078 0.000 2.356 854 S HA -0.208 4.263 4.470 0.002 0.000 0.223 854 S C 2.095 176.691 174.600 -0.008 0.000 1.032 854 S CA 1.350 59.540 58.200 -0.016 0.000 1.005 854 S CB -0.322 62.925 63.200 0.078 0.000 0.867 854 S HN 0.370 nan 8.310 nan 0.000 0.449 855 K N 1.990 122.380 120.400 -0.017 0.000 2.026 855 K HA 0.140 4.461 4.320 0.002 0.000 0.208 855 K C 2.255 178.923 176.600 0.113 0.000 1.048 855 K CA 1.396 57.730 56.287 0.078 0.000 0.929 855 K CB -1.183 31.305 32.500 -0.021 0.000 0.713 855 K HN 0.308 nan 8.250 nan 0.000 0.439 856 A N 0.305 123.043 122.820 -0.136 0.000 1.865 856 A HA -0.195 4.126 4.320 0.002 0.000 0.217 856 A C 2.249 179.872 177.584 0.064 0.000 1.191 856 A CA 2.954 54.937 52.037 -0.089 0.000 0.623 856 A CB -1.117 17.625 19.000 -0.429 0.000 0.826 856 A HN 0.522 nan 8.150 nan 0.000 0.444 857 T N -4.983 109.531 114.554 -0.067 0.000 3.065 857 T HA 0.398 4.749 4.350 0.002 0.000 0.252 857 T C 1.457 176.039 174.700 -0.198 0.000 1.099 857 T CA 1.114 63.149 62.100 -0.108 0.000 1.063 857 T CB 0.141 68.941 68.868 -0.113 0.000 0.948 857 T HN 1.841 nan 8.240 nan 0.000 0.506 858 G N 0.667 109.258 108.800 -0.349 0.000 2.162 858 G HA2 -0.216 3.745 3.960 0.002 0.000 0.260 858 G HA3 -0.216 3.745 3.960 0.002 0.000 0.260 858 G C 0.021 174.714 174.900 -0.344 0.000 0.976 858 G CA 0.099 44.701 45.100 -0.829 0.000 0.655 858 G HN 0.765 nan 8.290 nan 0.000 0.533 859 V N 1.961 121.775 119.914 -0.168 0.000 2.398 859 V HA 0.512 4.633 4.120 0.002 0.000 0.286 859 V C -1.773 174.320 176.094 -0.002 0.000 1.026 859 V CA -1.501 60.755 62.300 -0.075 0.000 0.868 859 V CB 1.965 33.756 31.823 -0.053 0.000 0.982 859 V HN 0.133 nan 8.190 nan 0.000 0.443 860 P HA 0.250 nan 4.420 nan 0.000 0.231 860 P C 1.030 178.407 177.300 0.127 0.000 1.811 860 P CA -0.172 63.012 63.100 0.139 0.000 1.051 860 P CB 0.314 32.084 31.700 0.118 0.000 1.951 861 L N 1.340 122.619 121.223 0.093 0.000 2.064 861 L HA -0.290 4.051 4.340 0.002 0.000 0.216 861 L C 2.472 179.396 176.870 0.089 0.000 1.077 861 L CA 2.161 57.042 54.840 0.068 0.000 0.766 861 L CB -1.216 40.864 42.059 0.034 0.000 0.890 861 L HN 0.191 nan 8.230 nan 0.000 0.435 862 A N -0.300 122.580 122.820 0.099 0.000 1.972 862 A HA -0.193 4.128 4.320 0.002 0.000 0.219 862 A C 2.341 180.063 177.584 0.230 0.000 1.169 862 A CA 1.632 53.711 52.037 0.068 0.000 0.635 862 A CB -0.279 18.661 19.000 -0.100 0.000 0.810 862 A HN 0.382 nan 8.150 nan 0.000 0.446 863 K N -0.573 119.946 120.400 0.198 0.000 2.044 863 K HA 0.008 4.329 4.320 0.002 0.000 0.204 863 K C 1.889 178.555 176.600 0.110 0.000 1.049 863 K CA 1.163 57.529 56.287 0.130 0.000 0.945 863 K CB -0.284 32.240 32.500 0.040 0.000 0.724 863 K HN 0.285 nan 8.250 nan 0.000 0.440 864 V N 1.716 121.688 119.914 0.097 0.000 2.255 864 V HA -0.277 3.844 4.120 0.002 0.000 0.247 864 V C 2.364 178.515 176.094 0.096 0.000 1.051 864 V CA 2.202 64.549 62.300 0.077 0.000 1.018 864 V CB -0.806 31.053 31.823 0.060 0.000 0.641 864 V HN 0.359 nan 8.190 nan 0.000 0.445 865 A N -0.275 122.626 122.820 0.134 0.000 2.070 865 A HA -0.014 4.307 4.320 0.002 0.000 0.220 865 A C 2.338 180.016 177.584 0.158 0.000 1.159 865 A CA 1.869 54.002 52.037 0.160 0.000 0.656 865 A CB -0.584 18.536 19.000 0.199 0.000 0.800 865 A HN 0.590 nan 8.150 nan 0.000 0.453 866 A N -0.272 122.654 122.820 0.177 0.000 1.930 866 A HA -0.047 4.274 4.320 0.002 0.000 0.215 866 A C 2.204 179.780 177.584 -0.013 0.000 1.176 866 A CA 1.210 53.272 52.037 0.042 0.000 0.632 866 A CB -0.360 18.685 19.000 0.075 0.000 0.819 866 A HN 0.513 nan 8.150 nan 0.000 0.445 867 R N -0.681 119.840 120.500 0.034 0.000 2.081 867 R HA -0.085 4.256 4.340 0.002 0.000 0.235 867 R C 2.046 178.364 176.300 0.030 0.000 1.131 867 R CA 1.448 57.570 56.100 0.036 0.000 0.960 867 R CB -0.566 29.768 30.300 0.057 0.000 0.856 867 R HN 0.355 nan 8.270 nan 0.000 0.436 868 V N 1.229 121.166 119.914 0.038 0.000 2.255 868 V HA -0.316 3.806 4.120 0.002 0.000 0.247 868 V C 2.314 178.418 176.094 0.015 0.000 1.051 868 V CA 1.924 64.246 62.300 0.037 0.000 1.018 868 V CB -0.325 31.527 31.823 0.048 0.000 0.641 868 V HN 0.368 nan 8.190 nan 0.000 0.445 869 M N -0.594 119.001 119.600 -0.008 0.000 2.213 869 M HA -0.150 4.331 4.480 0.002 0.000 0.263 869 M C 2.083 178.342 176.300 -0.068 0.000 1.062 869 M CA 1.955 57.227 55.300 -0.046 0.000 1.105 869 M CB -0.418 32.124 32.600 -0.097 0.000 1.385 869 M HN 0.415 nan 8.290 nan 0.000 0.417 870 A N -0.982 121.788 122.820 -0.083 0.000 2.169 870 A HA 0.330 4.651 4.320 0.002 0.000 0.212 870 A C 1.756 179.344 177.584 0.007 0.000 1.153 870 A CA 1.196 53.166 52.037 -0.111 0.000 0.756 870 A CB -0.222 18.625 19.000 -0.256 0.000 0.813 870 A HN 0.599 nan 8.150 nan 0.000 0.471 871 G N -1.328 107.489 108.800 0.029 0.000 2.738 871 G HA2 -0.119 3.842 3.960 0.002 0.000 0.195 871 G HA3 -0.119 3.842 3.960 0.002 0.000 0.195 871 G C 0.243 175.177 174.900 0.057 0.000 1.001 871 G CA 0.046 45.177 45.100 0.053 0.000 0.759 871 G HN 0.363 nan 8.290 nan 0.000 0.494 872 K N 2.582 123.020 120.400 0.063 0.000 2.273 872 K HA 0.508 4.829 4.320 0.002 0.000 0.287 872 K C 1.109 177.738 176.600 0.048 0.000 1.089 872 K CA 0.371 56.693 56.287 0.057 0.000 0.909 872 K CB 0.536 33.077 32.500 0.067 0.000 1.123 872 K HN 0.436 nan 8.250 nan 0.000 0.473 873 S N 3.275 119.002 115.700 0.044 0.000 2.596 873 S HA 0.033 4.504 4.470 0.002 0.000 0.260 873 S C 1.530 176.155 174.600 0.042 0.000 1.336 873 S CA -0.498 57.729 58.200 0.045 0.000 0.993 873 S CB 0.563 63.789 63.200 0.045 0.000 0.923 873 S HN 0.642 nan 8.310 nan 0.000 0.567 874 L N 1.408 122.658 121.223 0.044 0.000 2.012 874 L HA -0.144 4.197 4.340 0.002 0.000 0.210 874 L C 3.119 180.009 176.870 0.033 0.000 1.073 874 L CA 1.825 56.689 54.840 0.039 0.000 0.748 874 L CB -1.244 40.839 42.059 0.040 0.000 0.891 874 L HN 0.955 nan 8.230 nan 0.000 0.431 875 A N -0.080 122.761 122.820 0.035 0.000 1.883 875 A HA -0.262 4.059 4.320 0.002 0.000 0.217 875 A C 2.142 179.740 177.584 0.024 0.000 1.186 875 A CA 1.966 54.020 52.037 0.028 0.000 0.624 875 A CB -0.564 18.454 19.000 0.030 0.000 0.822 875 A HN 0.456 nan 8.150 nan 0.000 0.444 876 E N -0.395 119.821 120.200 0.027 0.000 2.118 876 E HA -0.236 4.115 4.350 0.002 0.000 0.195 876 E C 2.219 178.834 176.600 0.024 0.000 0.992 876 E CA 1.588 58.003 56.400 0.025 0.000 0.804 876 E CB -0.158 29.559 29.700 0.029 0.000 0.741 876 E HN 0.795 nan 8.360 nan 0.000 0.458 877 Q N -1.135 118.681 119.800 0.027 0.000 2.331 877 Q HA 0.083 4.424 4.340 0.002 0.000 0.203 877 Q C 1.057 177.068 176.000 0.017 0.000 0.944 877 Q CA 0.575 56.393 55.803 0.024 0.000 0.892 877 Q CB 0.724 29.480 28.738 0.029 0.000 0.983 877 Q HN 0.344 nan 8.270 nan 0.000 0.482 878 G N 0.745 109.555 108.800 0.016 0.000 2.142 878 G HA2 -0.198 3.763 3.960 0.002 0.000 0.225 878 G HA3 -0.198 3.763 3.960 0.002 0.000 0.225 878 G C -0.201 174.704 174.900 0.008 0.000 1.015 878 G CA -0.077 45.030 45.100 0.011 0.000 0.716 878 G HN 0.183 nan 8.290 nan 0.000 0.508 879 V N 1.453 121.374 119.914 0.012 0.000 2.289 879 V HA 0.592 4.713 4.120 0.002 0.000 0.272 879 V C 0.903 177.004 176.094 0.011 0.000 1.026 879 V CA 0.454 62.758 62.300 0.008 0.000 0.807 879 V CB 0.873 32.702 31.823 0.011 0.000 1.044 879 V HN 0.685 nan 8.190 nan 0.000 0.443 880 T N -0.767 113.791 114.554 0.008 0.000 2.986 880 T HA 0.298 4.649 4.350 0.002 0.000 0.264 880 T C 0.351 175.055 174.700 0.006 0.000 0.964 880 T CA -0.317 61.791 62.100 0.012 0.000 0.895 880 T CB 0.463 69.340 68.868 0.016 0.000 1.163 880 T HN 0.430 nan 8.240 nan 0.000 0.517 881 K N 2.182 122.580 120.400 -0.003 0.000 2.324 881 K HA 0.436 4.757 4.320 0.002 0.000 0.253 881 K C -0.741 175.848 176.600 -0.018 0.000 0.932 881 K CA -0.544 55.737 56.287 -0.009 0.000 0.799 881 K CB 2.717 35.210 32.500 -0.012 0.000 1.154 881 K HN 0.321 nan 8.250 nan 0.000 0.425 882 E N 2.619 122.807 120.200 -0.019 0.000 2.417 882 E HA 0.034 4.385 4.350 0.002 0.000 0.261 882 E C -0.802 175.773 176.600 -0.042 0.000 1.000 882 E CA -0.309 56.075 56.400 -0.027 0.000 0.919 882 E CB 0.699 30.385 29.700 -0.023 0.000 0.955 882 E HN 0.209 nan 8.360 nan 0.000 0.455 883 V N 6.631 126.513 119.914 -0.054 0.000 2.465 883 V HA 0.205 4.327 4.120 0.002 0.000 0.279 883 V C 0.209 176.245 176.094 -0.096 0.000 1.045 883 V CA -0.448 61.806 62.300 -0.078 0.000 0.938 883 V CB 1.194 32.963 31.823 -0.090 0.000 0.986 883 V HN 0.609 nan 8.190 nan 0.000 0.467 884 I N 6.716 127.215 120.570 -0.118 0.000 2.466 884 I HA 0.370 4.541 4.170 0.002 0.000 0.279 884 I C -2.269 173.714 176.117 -0.223 0.000 1.033 884 I CA -1.984 59.227 61.300 -0.149 0.000 1.123 884 I CB 1.498 39.428 38.000 -0.117 0.000 1.237 884 I HN 0.449 nan 8.210 nan 0.000 0.460 885 P HA 0.219 nan 4.420 nan 0.000 0.270 885 P C -2.066 174.892 177.300 -0.570 0.000 1.223 885 P CA -0.981 61.774 63.100 -0.575 0.000 0.785 885 P CB -0.068 31.002 31.700 -1.051 0.000 0.923 886 P HA 0.066 nan 4.420 nan 0.000 0.253 886 P C -0.685 176.492 177.300 -0.205 0.000 1.260 886 P CA 0.562 63.489 63.100 -0.288 0.000 0.800 886 P CB -0.306 31.328 31.700 -0.110 0.000 1.162 887 Y N -3.638 116.618 120.300 -0.072 0.000 2.644 887 Y HA 0.618 5.169 4.550 0.002 0.000 0.338 887 Y C -0.523 175.331 175.900 -0.076 0.000 1.119 887 Y CA -2.114 55.971 58.100 -0.026 0.000 1.060 887 Y CB 0.255 38.730 38.460 0.026 0.000 1.294 887 Y HN -0.355 nan 8.280 nan 0.000 0.472 888 Y N 0.614 121.103 120.300 0.315 0.000 2.320 888 Y HA 0.583 5.134 4.550 0.002 0.000 0.324 888 Y C -0.006 176.075 175.900 0.302 0.000 1.190 888 Y CA -0.020 58.240 58.100 0.267 0.000 1.215 888 Y CB 1.918 40.519 38.460 0.235 0.000 1.221 888 Y HN 0.617 nan 8.280 nan 0.000 0.486 889 S N 1.945 117.929 115.700 0.474 0.000 2.561 889 S HA 0.616 5.087 4.470 0.002 0.000 0.303 889 S C -1.285 173.629 174.600 0.524 0.000 1.110 889 S CA -0.712 57.722 58.200 0.390 0.000 1.034 889 S CB 1.252 64.566 63.200 0.190 0.000 1.010 889 S HN 0.325 nan 8.310 nan 0.000 0.482 890 V N 4.330 124.474 119.914 0.383 0.000 2.487 890 V HA 0.487 4.608 4.120 0.002 0.000 0.298 890 V C -0.063 176.068 176.094 0.063 0.000 1.028 890 V CA -0.771 61.669 62.300 0.234 0.000 0.860 890 V CB 1.803 33.642 31.823 0.026 0.000 0.991 890 V HN 0.743 nan 8.190 nan 0.000 0.427 891 K N 3.794 124.047 120.400 -0.244 0.000 2.138 891 K HA 0.673 4.994 4.320 0.002 0.000 0.263 891 K C -0.870 175.541 176.600 -0.315 0.000 0.965 891 K CA -0.368 55.629 56.287 -0.483 0.000 0.868 891 K CB 2.010 33.819 32.500 -1.153 0.000 1.083 891 K HN 0.749 nan 8.250 nan 0.000 0.443 892 E N 2.479 122.519 120.200 -0.267 0.000 2.343 892 E HA 0.337 4.688 4.350 0.002 0.000 0.270 892 E C -1.323 175.172 176.600 -0.175 0.000 0.895 892 E CA -0.915 55.350 56.400 -0.225 0.000 0.767 892 E CB 1.774 31.294 29.700 -0.300 0.000 1.248 892 E HN 0.406 nan 8.360 nan 0.000 0.440 893 V N 0.585 120.421 119.914 -0.130 0.000 3.211 893 V HA 0.883 5.004 4.120 0.002 0.000 0.319 893 V C -0.253 175.792 176.094 -0.083 0.000 1.096 893 V CA -0.417 61.821 62.300 -0.104 0.000 1.029 893 V CB 1.445 33.217 31.823 -0.085 0.000 1.137 893 V HN 0.691 nan 8.190 nan 0.000 0.453 894 V N 0.264 120.132 119.914 -0.077 0.000 2.588 894 V HA 0.751 4.872 4.120 0.002 0.000 0.304 894 V C -0.715 175.322 176.094 -0.095 0.000 1.042 894 V CA -0.634 61.624 62.300 -0.070 0.000 0.877 894 V CB 1.043 32.830 31.823 -0.060 0.000 0.996 894 V HN 0.875 nan 8.190 nan 0.000 0.425 895 L N 5.733 126.886 121.223 -0.116 0.000 2.329 895 L HA 0.650 4.991 4.340 0.002 0.000 0.279 895 L C -1.737 174.973 176.870 -0.267 0.000 1.014 895 L CA -1.453 53.233 54.840 -0.257 0.000 0.814 895 L CB 2.484 44.307 42.059 -0.394 0.000 1.257 895 L HN 0.460 nan 8.230 nan 0.000 0.424 896 P HA 0.087 nan 4.420 nan 0.000 0.257 896 P C 1.092 178.270 177.300 -0.204 0.000 1.325 896 P CA 0.045 62.991 63.100 -0.257 0.000 0.850 896 P CB 0.030 31.607 31.700 -0.205 0.000 1.324 897 F N 2.447 122.433 119.950 0.061 0.000 2.154 897 F HA -0.228 4.301 4.527 0.002 0.000 0.301 897 F C 2.199 178.000 175.800 0.001 0.000 1.087 897 F CA 1.506 59.565 58.000 0.098 0.000 1.274 897 F CB -1.752 37.331 39.000 0.139 0.000 1.009 897 F HN 0.135 nan 8.300 nan 0.000 0.485 898 N N 0.786 119.550 118.700 0.107 0.000 2.364 898 N HA -0.200 4.541 4.740 0.002 0.000 0.183 898 N C 1.187 176.610 175.510 -0.144 0.000 1.022 898 N CA 1.195 54.244 53.050 -0.002 0.000 0.883 898 N CB -0.514 37.967 38.487 -0.010 0.000 0.965 898 N HN 0.230 nan 8.380 nan 0.000 0.438 899 K N -0.447 119.742 120.400 -0.351 0.000 2.418 899 K HA 0.074 4.395 4.320 0.002 0.000 0.195 899 K C -0.336 175.799 176.600 -0.775 0.000 1.035 899 K CA 0.242 56.120 56.287 -0.682 0.000 1.003 899 K CB 0.131 31.968 32.500 -1.105 0.000 0.793 899 K HN 0.250 nan 8.250 nan 0.000 0.494 900 F N 0.737 120.658 119.950 -0.050 0.000 2.769 900 F HA 0.285 4.813 4.527 0.002 0.000 0.358 900 F C -1.961 173.871 175.800 0.053 0.000 1.285 900 F CA -2.538 55.461 58.000 -0.002 0.000 1.199 900 F CB 1.429 40.396 39.000 -0.055 0.000 1.558 900 F HN -0.184 nan 8.300 nan 0.000 0.583 901 P HA -0.097 nan 4.420 nan 0.000 0.221 901 P C 1.723 179.078 177.300 0.090 0.000 1.145 901 P CA 1.199 64.351 63.100 0.086 0.000 0.795 901 P CB 0.304 32.018 31.700 0.022 0.000 0.775 902 G N -0.792 108.082 108.800 0.124 0.000 2.813 902 G HA2 0.052 4.013 3.960 0.002 0.000 0.209 902 G HA3 0.052 4.013 3.960 0.002 0.000 0.209 902 G C 0.393 175.354 174.900 0.102 0.000 1.150 902 G CA 0.024 45.178 45.100 0.090 0.000 0.785 902 G HN 0.172 nan 8.290 nan 0.000 0.535 903 V N 1.001 121.016 119.914 0.168 0.000 2.607 903 V HA 0.176 4.297 4.120 0.002 0.000 0.289 903 V C -0.192 175.921 176.094 0.032 0.000 1.053 903 V CA -1.036 61.366 62.300 0.169 0.000 0.996 903 V CB 1.796 33.838 31.823 0.366 0.000 0.995 903 V HN 0.152 nan 8.190 nan 0.000 0.476 904 D N 6.324 126.697 120.400 -0.044 0.000 2.346 904 D HA 0.143 4.784 4.640 0.002 0.000 0.260 904 D C -2.022 174.027 176.300 -0.417 0.000 1.252 904 D CA -1.918 51.986 54.000 -0.159 0.000 0.895 904 D CB 1.246 41.985 40.800 -0.102 0.000 1.097 904 D HN 0.275 nan 8.370 nan 0.000 0.489 905 P HA 0.117 nan 4.420 nan 0.000 0.231 905 P C -0.675 176.212 177.300 -0.688 0.000 1.756 905 P CA -0.388 61.942 63.100 -1.282 0.000 0.990 905 P CB -0.263 31.146 31.700 -0.484 0.000 1.973 906 L N 1.221 122.139 121.223 -0.508 0.000 2.346 906 L HA 0.400 4.741 4.340 0.002 0.000 0.276 906 L C -0.508 176.395 176.870 0.056 0.000 1.006 906 L CA -1.100 53.677 54.840 -0.106 0.000 0.817 906 L CB 1.354 43.369 42.059 -0.072 0.000 1.272 906 L HN -0.054 nan 8.230 nan 0.000 0.421 907 L N 4.046 125.342 121.223 0.122 0.000 2.453 907 L HA 0.812 5.153 4.340 0.002 0.000 0.261 907 L C 0.736 177.674 176.870 0.115 0.000 1.179 907 L CA 0.138 55.075 54.840 0.162 0.000 0.813 907 L CB 0.783 42.929 42.059 0.146 0.000 1.110 907 L HN 0.862 nan 8.230 nan 0.000 0.466 908 G N 0.143 109.012 108.800 0.116 0.000 2.428 908 G HA2 0.286 4.247 3.960 0.002 0.000 0.304 908 G HA3 0.286 4.247 3.960 0.002 0.000 0.304 908 G C -2.676 172.278 174.900 0.091 0.000 1.303 908 G CA -0.333 44.812 45.100 0.073 0.000 0.825 908 G HN 0.321 nan 8.290 nan 0.000 0.484 909 P HA 0.030 nan 4.420 nan 0.000 0.234 909 P C 0.308 177.704 177.300 0.161 0.000 1.167 909 P CA 0.949 64.103 63.100 0.090 0.000 0.763 909 P CB 0.421 32.121 31.700 0.001 0.000 0.835 910 E N -0.022 120.223 120.200 0.075 0.000 2.191 910 E HA 0.346 4.697 4.350 0.002 0.000 0.274 910 E C -0.611 175.921 176.600 -0.114 0.000 0.948 910 E CA -1.054 55.334 56.400 -0.019 0.000 0.802 910 E CB 1.023 30.684 29.700 -0.065 0.000 1.137 910 E HN -0.126 nan 8.360 nan 0.000 0.397 911 M N 4.398 123.761 119.600 -0.395 0.000 2.188 911 M HA 0.182 4.663 4.480 0.002 0.000 0.354 911 M C 0.066 176.235 176.300 -0.218 0.000 1.342 911 M CA 0.336 55.393 55.300 -0.405 0.000 1.117 911 M CB 0.367 32.528 32.600 -0.732 0.000 1.670 911 M HN 0.547 nan 8.290 nan 0.000 0.466 912 R N 1.255 121.686 120.500 -0.115 0.000 2.517 912 R HA 0.178 4.519 4.340 0.002 0.000 0.265 912 R C 0.157 176.426 176.300 -0.052 0.000 0.921 912 R CA 0.149 56.206 56.100 -0.072 0.000 1.054 912 R CB 0.715 31.008 30.300 -0.013 0.000 1.340 912 R HN 0.840 nan 8.270 nan 0.000 0.551 913 S N -0.661 114.991 115.700 -0.079 0.000 2.593 913 S HA 0.052 4.523 4.470 0.002 0.000 0.269 913 S C 1.172 175.743 174.600 -0.049 0.000 1.334 913 S CA 0.193 58.342 58.200 -0.085 0.000 1.015 913 S CB 1.477 64.630 63.200 -0.078 0.000 0.912 913 S HN 0.277 nan 8.310 nan 0.000 0.541 914 T N -1.632 112.890 114.554 -0.053 0.000 3.000 914 T HA 0.505 4.856 4.350 0.002 0.000 0.248 914 T C 0.812 175.489 174.700 -0.039 0.000 1.034 914 T CA 0.234 62.314 62.100 -0.033 0.000 1.060 914 T CB -0.192 68.654 68.868 -0.038 0.000 0.983 914 T HN 1.095 nan 8.240 nan 0.000 0.482 915 G N 0.599 109.366 108.800 -0.054 0.000 2.721 915 G HA2 0.642 4.603 3.960 0.002 0.000 0.296 915 G HA3 0.642 4.603 3.960 0.002 0.000 0.296 915 G C -2.084 172.770 174.900 -0.077 0.000 1.383 915 G CA -0.965 44.101 45.100 -0.057 0.000 0.788 915 G HN 0.517 nan 8.290 nan 0.000 0.500 916 E N -2.078 118.071 120.200 -0.084 0.000 2.430 916 E HA 0.656 5.007 4.350 0.002 0.000 0.279 916 E C -1.138 175.408 176.600 -0.091 0.000 1.003 916 E CA -1.081 55.254 56.400 -0.109 0.000 0.801 916 E CB 2.198 31.808 29.700 -0.149 0.000 1.313 916 E HN 1.050 nan 8.360 nan 0.000 0.459 917 V N -1.848 118.003 119.914 -0.105 0.000 3.102 917 V HA 0.748 4.869 4.120 0.002 0.000 0.312 917 V C -0.594 175.461 176.094 -0.065 0.000 1.135 917 V CA -1.099 61.157 62.300 -0.074 0.000 1.022 917 V CB 1.909 33.684 31.823 -0.079 0.000 1.056 917 V HN 0.913 nan 8.190 nan 0.000 0.436 918 M N 1.915 121.513 119.600 -0.004 0.000 2.393 918 M HA 0.836 5.317 4.480 0.002 0.000 0.316 918 M C -0.336 175.976 176.300 0.020 0.000 1.087 918 M CA -0.266 55.081 55.300 0.078 0.000 0.937 918 M CB 1.978 34.706 32.600 0.214 0.000 1.668 918 M HN 1.166 nan 8.290 nan 0.000 0.438 919 G N 3.239 112.049 108.800 0.016 0.000 2.470 919 G HA2 0.622 4.583 3.960 0.002 0.000 0.320 919 G HA3 0.622 4.583 3.960 0.002 0.000 0.320 919 G C -1.628 173.284 174.900 0.020 0.000 1.245 919 G CA -0.462 44.617 45.100 -0.035 0.000 0.935 919 G HN 0.593 nan 8.290 nan 0.000 0.476 920 V N 1.599 121.504 119.914 -0.014 0.000 2.384 920 V HA 0.883 5.004 4.120 0.002 0.000 0.287 920 V C 0.656 176.748 176.094 -0.004 0.000 1.020 920 V CA -0.085 62.201 62.300 -0.023 0.000 0.850 920 V CB 1.095 32.821 31.823 -0.160 0.000 0.987 920 V HN 1.060 nan 8.190 nan 0.000 0.436 921 G N 3.424 112.279 108.800 0.091 0.000 2.690 921 G HA2 0.513 4.474 3.960 0.002 0.000 0.291 921 G HA3 0.513 4.474 3.960 0.002 0.000 0.291 921 G C -0.064 174.965 174.900 0.215 0.000 1.403 921 G CA -0.782 44.379 45.100 0.103 0.000 0.864 921 G HN 0.526 nan 8.290 nan 0.000 0.480 922 R N -1.007 119.593 120.500 0.165 0.000 2.189 922 R HA 0.116 4.457 4.340 0.002 0.000 0.218 922 R C 1.192 177.668 176.300 0.294 0.000 1.074 922 R CA 1.527 57.747 56.100 0.201 0.000 0.991 922 R CB -0.000 30.375 30.300 0.126 0.000 0.883 922 R HN 0.656 nan 8.270 nan 0.000 0.457 923 T N -4.730 109.976 114.554 0.254 0.000 2.883 923 T HA 0.198 4.549 4.350 0.002 0.000 0.296 923 T C 0.413 175.096 174.700 -0.029 0.000 1.117 923 T CA -0.928 61.309 62.100 0.229 0.000 1.006 923 T CB 1.252 70.191 68.868 0.117 0.000 1.191 923 T HN 0.024 nan 8.240 nan 0.000 0.508 924 F N 1.705 121.270 119.950 -0.641 0.000 2.126 924 F HA 0.062 4.590 4.527 0.002 0.000 0.299 924 F C 2.541 178.180 175.800 -0.269 0.000 1.096 924 F CA 2.048 59.569 58.000 -0.797 0.000 1.255 924 F CB -0.746 37.752 39.000 -0.838 0.000 0.997 924 F HN 0.779 nan 8.300 nan 0.000 0.479 925 A N 0.028 122.761 122.820 -0.145 0.000 1.908 925 A HA -0.288 4.033 4.320 0.002 0.000 0.218 925 A C 2.248 179.726 177.584 -0.177 0.000 1.181 925 A CA 2.020 53.965 52.037 -0.153 0.000 0.627 925 A CB -1.113 17.892 19.000 0.007 0.000 0.818 925 A HN 0.629 nan 8.150 nan 0.000 0.445 926 E N -0.320 119.812 120.200 -0.113 0.000 2.047 926 E HA -0.103 4.248 4.350 0.002 0.000 0.191 926 E C 2.225 178.755 176.600 -0.116 0.000 0.987 926 E CA 0.981 57.334 56.400 -0.079 0.000 0.799 926 E CB -0.274 29.416 29.700 -0.017 0.000 0.752 926 E HN 0.528 nan 8.360 nan 0.000 0.449 927 A N 0.770 123.507 122.820 -0.138 0.000 1.865 927 A HA -0.220 4.101 4.320 0.002 0.000 0.217 927 A C 2.049 179.494 177.584 -0.232 0.000 1.191 927 A CA 1.561 53.524 52.037 -0.124 0.000 0.623 927 A CB -1.074 17.905 19.000 -0.035 0.000 0.826 927 A HN 0.507 nan 8.150 nan 0.000 0.444 928 F N 0.675 120.275 119.950 -0.584 0.000 2.171 928 F HA -0.074 4.454 4.527 0.002 0.000 0.300 928 F C 2.523 178.123 175.800 -0.335 0.000 1.090 928 F CA 1.224 58.878 58.000 -0.576 0.000 1.293 928 F CB -0.201 38.227 39.000 -0.953 0.000 1.013 928 F HN 0.253 nan 8.300 nan 0.000 0.486 929 A N -0.269 122.474 122.820 -0.129 0.000 1.930 929 A HA -0.166 4.155 4.320 0.002 0.000 0.217 929 A C 2.178 179.647 177.584 -0.192 0.000 1.175 929 A CA 1.656 53.618 52.037 -0.125 0.000 0.627 929 A CB -0.543 18.406 19.000 -0.086 0.000 0.815 929 A HN 0.401 nan 8.150 nan 0.000 0.443 930 K N -0.270 120.020 120.400 -0.184 0.000 2.025 930 K HA 0.022 4.343 4.320 0.002 0.000 0.207 930 K C 2.299 178.782 176.600 -0.196 0.000 1.049 930 K CA 1.115 57.305 56.287 -0.161 0.000 0.933 930 K CB -0.307 32.124 32.500 -0.116 0.000 0.714 930 K HN 0.412 nan 8.250 nan 0.000 0.438 931 A N 1.053 123.710 122.820 -0.272 0.000 1.902 931 A HA -0.275 4.046 4.320 0.002 0.000 0.217 931 A C 2.133 179.500 177.584 -0.362 0.000 1.181 931 A CA 1.731 53.578 52.037 -0.315 0.000 0.623 931 A CB -0.595 18.150 19.000 -0.425 0.000 0.818 931 A HN 0.400 nan 8.150 nan 0.000 0.443 932 Q N -0.951 118.554 119.800 -0.491 0.000 2.050 932 Q HA -0.182 4.159 4.340 0.002 0.000 0.202 932 Q C 1.992 177.875 176.000 -0.194 0.000 0.980 932 Q CA 1.764 57.339 55.803 -0.380 0.000 0.840 932 Q CB -0.264 28.247 28.738 -0.379 0.000 0.898 932 Q HN 0.536 nan 8.270 nan 0.000 0.424 933 L N 0.225 121.345 121.223 -0.173 0.000 2.017 933 L HA -0.009 4.332 4.340 0.002 0.000 0.208 933 L C 2.178 179.009 176.870 -0.065 0.000 1.073 933 L CA 2.479 57.258 54.840 -0.103 0.000 0.745 933 L CB -1.113 40.872 42.059 -0.122 0.000 0.894 933 L HN 0.301 nan 8.230 nan 0.000 0.432 934 G N -1.495 107.252 108.800 -0.089 0.000 2.470 934 G HA2 -0.271 3.690 3.960 0.002 0.000 0.220 934 G HA3 -0.271 3.690 3.960 0.002 0.000 0.220 934 G C 1.488 176.354 174.900 -0.058 0.000 1.121 934 G CA 0.930 45.993 45.100 -0.061 0.000 0.766 934 G HN 0.603 nan 8.290 nan 0.000 0.553 935 S N -0.528 115.124 115.700 -0.080 0.000 2.603 935 S HA 0.029 4.500 4.470 0.002 0.000 0.220 935 S C 1.133 175.721 174.600 -0.021 0.000 0.967 935 S CA 0.735 58.897 58.200 -0.063 0.000 0.920 935 S CB -0.524 62.623 63.200 -0.090 0.000 0.773 935 S HN 0.578 nan 8.310 nan 0.000 0.529 936 N N 0.267 118.966 118.700 -0.003 0.000 2.829 936 N HA -0.194 4.547 4.740 0.002 0.000 0.250 936 N C -0.256 175.292 175.510 0.063 0.000 1.090 936 N CA 0.604 53.672 53.050 0.029 0.000 0.781 936 N CB -1.659 36.840 38.487 0.020 0.000 1.124 936 N HN 0.564 nan 8.380 nan 0.000 0.559 937 S N 0.046 115.787 115.700 0.068 0.000 2.560 937 S HA 0.138 4.609 4.470 0.002 0.000 0.284 937 S C 1.449 176.134 174.600 0.141 0.000 1.327 937 S CA 0.814 59.108 58.200 0.156 0.000 1.055 937 S CB 0.997 64.251 63.200 0.090 0.000 0.868 937 S HN 0.314 nan 8.310 nan 0.000 0.506 938 T N 3.099 117.779 114.554 0.210 0.000 3.244 938 T HA 0.258 4.609 4.350 0.002 0.000 0.254 938 T C 0.400 175.199 174.700 0.164 0.000 1.024 938 T CA -0.512 61.691 62.100 0.171 0.000 0.920 938 T CB -0.415 68.562 68.868 0.181 0.000 1.042 938 T HN 0.568 nan 8.240 nan 0.000 0.572 939 M N 3.070 122.731 119.600 0.101 0.000 2.249 939 M HA 0.252 4.733 4.480 0.002 0.000 0.340 939 M C -0.282 176.028 176.300 0.017 0.000 1.166 939 M CA 0.064 55.377 55.300 0.022 0.000 1.115 939 M CB 0.223 32.665 32.600 -0.264 0.000 1.606 939 M HN 0.079 nan 8.290 nan 0.000 0.448 940 K N 4.289 124.710 120.400 0.035 0.000 2.281 940 K HA 0.371 4.692 4.320 0.002 0.000 0.242 940 K C -0.171 176.439 176.600 0.017 0.000 0.971 940 K CA -0.854 55.391 56.287 -0.069 0.000 0.834 940 K CB 1.400 33.697 32.500 -0.338 0.000 1.181 940 K HN 0.611 nan 8.250 nan 0.000 0.435 941 K N 0.940 121.320 120.400 -0.032 0.000 2.444 941 K HA 0.009 4.330 4.320 0.002 0.000 0.193 941 K C -0.004 176.500 176.600 -0.160 0.000 1.024 941 K CA 0.385 56.708 56.287 0.060 0.000 1.077 941 K CB -0.051 32.489 32.500 0.066 0.000 0.833 941 K HN 0.652 nan 8.250 nan 0.000 0.517 942 H N -3.161 115.617 119.070 -0.487 0.000 2.990 942 H HA 0.661 5.218 4.556 0.002 0.000 0.336 942 H C 0.172 174.999 175.328 -0.836 0.000 1.306 942 H CA -0.418 55.120 56.048 -0.849 0.000 1.118 942 H CB 1.324 30.877 29.762 -0.349 0.000 1.856 942 H HN 0.046 nan 8.280 nan 0.000 0.538 943 G N -0.136 108.370 108.800 -0.490 0.000 2.341 943 G HA2 0.018 3.979 3.960 0.002 0.000 0.196 943 G HA3 0.018 3.979 3.960 0.002 0.000 0.196 943 G C -1.383 173.553 174.900 0.060 0.000 1.231 943 G CA -0.543 44.505 45.100 -0.086 0.000 1.155 943 G HN 0.797 nan 8.290 nan 0.000 0.529 944 R N 0.293 120.965 120.500 0.286 0.000 2.480 944 R HA 0.699 5.040 4.340 0.002 0.000 0.306 944 R C -0.077 176.572 176.300 0.582 0.000 0.958 944 R CA 0.073 56.426 56.100 0.421 0.000 0.861 944 R CB 1.347 31.837 30.300 0.317 0.000 1.171 944 R HN 1.424 nan 8.270 nan 0.000 0.445 945 A N 4.259 127.378 122.820 0.497 0.000 2.312 945 A HA 0.500 4.821 4.320 0.002 0.000 0.326 945 A C -1.298 176.274 177.584 -0.019 0.000 1.172 945 A CA -0.709 51.486 52.037 0.263 0.000 0.821 945 A CB 1.182 20.302 19.000 0.200 0.000 1.166 945 A HN 0.597 nan 8.150 nan 0.000 0.493 946 L N 2.554 123.560 121.223 -0.361 0.000 2.296 946 L HA 0.702 5.043 4.340 0.002 0.000 0.286 946 L C -1.519 175.159 176.870 -0.320 0.000 1.023 946 L CA -0.420 54.106 54.840 -0.523 0.000 0.812 946 L CB 1.204 42.643 42.059 -1.033 0.000 1.223 946 L HN 0.464 nan 8.230 nan 0.000 0.421 947 L N 4.553 125.657 121.223 -0.198 0.000 2.319 947 L HA 0.631 4.972 4.340 0.002 0.000 0.281 947 L C -0.094 176.713 176.870 -0.105 0.000 1.005 947 L CA -0.025 54.735 54.840 -0.134 0.000 0.828 947 L CB 1.419 43.432 42.059 -0.077 0.000 1.227 947 L HN 0.663 nan 8.230 nan 0.000 0.415 948 S N 2.751 118.392 115.700 -0.098 0.000 2.461 948 S HA 0.643 5.114 4.470 0.002 0.000 0.216 948 S C -0.886 173.687 174.600 -0.045 0.000 1.201 948 S CA -0.502 57.660 58.200 -0.064 0.000 1.171 948 S CB 0.551 63.705 63.200 -0.077 0.000 1.169 948 S HN 0.443 nan 8.310 nan 0.000 0.456 949 V N 3.451 123.351 119.914 -0.023 0.000 2.815 949 V HA 0.840 4.961 4.120 0.002 0.000 0.314 949 V C -0.178 175.917 176.094 0.001 0.000 1.064 949 V CA -1.368 60.928 62.300 -0.007 0.000 0.952 949 V CB 1.558 33.384 31.823 0.004 0.000 1.020 949 V HN 0.847 nan 8.190 nan 0.000 0.439 950 R N 1.539 122.041 120.500 0.004 0.000 2.637 950 R HA 0.446 4.787 4.340 0.002 0.000 0.269 950 R C 0.977 177.283 176.300 0.010 0.000 1.089 950 R CA -0.266 55.832 56.100 -0.002 0.000 1.177 950 R CB 0.253 30.544 30.300 -0.015 0.000 1.091 950 R HN 0.710 nan 8.270 nan 0.000 0.540 951 E N 1.584 121.785 120.200 0.002 0.000 2.072 951 E HA -0.205 4.146 4.350 0.002 0.000 0.218 951 E C 1.983 178.597 176.600 0.024 0.000 1.051 951 E CA 2.512 58.919 56.400 0.011 0.000 0.880 951 E CB -0.995 28.704 29.700 -0.001 0.000 0.783 951 E HN 0.897 nan 8.360 nan 0.000 0.473 952 G N -0.223 108.594 108.800 0.029 0.000 2.564 952 G HA2 -0.213 3.748 3.960 0.002 0.000 0.216 952 G HA3 -0.213 3.748 3.960 0.002 0.000 0.216 952 G C 0.958 175.889 174.900 0.053 0.000 1.124 952 G CA 0.970 46.096 45.100 0.044 0.000 0.764 952 G HN 0.195 nan 8.290 nan 0.000 0.550 953 D N -0.288 120.143 120.400 0.052 0.000 2.392 953 D HA 0.089 4.730 4.640 0.002 0.000 0.206 953 D C 2.256 178.594 176.300 0.063 0.000 1.046 953 D CA 0.103 54.144 54.000 0.068 0.000 0.865 953 D CB 0.120 40.962 40.800 0.069 0.000 0.969 953 D HN 0.200 nan 8.370 nan 0.000 0.509 954 K N 0.904 121.331 120.400 0.045 0.000 2.127 954 K HA -0.193 4.128 4.320 0.002 0.000 0.208 954 K C 1.870 178.497 176.600 0.046 0.000 1.047 954 K CA 1.045 57.355 56.287 0.039 0.000 0.927 954 K CB 0.144 32.663 32.500 0.031 0.000 0.716 954 K HN 0.191 nan 8.250 nan 0.000 0.450 955 E N 0.759 120.989 120.200 0.049 0.000 2.015 955 E HA -0.171 4.180 4.350 0.002 0.000 0.191 955 E C 2.047 178.691 176.600 0.072 0.000 0.991 955 E CA 1.111 57.541 56.400 0.050 0.000 0.802 955 E CB 0.101 29.825 29.700 0.040 0.000 0.759 955 E HN 0.179 nan 8.360 nan 0.000 0.447 956 R N 0.113 120.672 120.500 0.099 0.000 2.237 956 R HA -0.048 4.293 4.340 0.002 0.000 0.219 956 R C 2.230 178.672 176.300 0.238 0.000 1.080 956 R CA 0.254 56.456 56.100 0.171 0.000 0.995 956 R CB 0.006 30.418 30.300 0.186 0.000 0.875 956 R HN 0.104 nan 8.270 nan 0.000 0.462 957 V N 0.177 120.170 119.914 0.133 0.000 2.809 957 V HA -0.156 3.965 4.120 0.002 0.000 0.256 957 V C 1.902 178.021 176.094 0.042 0.000 1.080 957 V CA 1.229 63.569 62.300 0.066 0.000 1.102 957 V CB 0.135 31.976 31.823 0.031 0.000 0.705 957 V HN 0.103 nan 8.190 nan 0.000 0.475 958 V N 0.474 120.427 119.914 0.064 0.000 2.255 958 V HA -0.267 3.854 4.120 0.002 0.000 0.247 958 V C 2.413 178.543 176.094 0.060 0.000 1.051 958 V CA 2.609 64.939 62.300 0.050 0.000 1.018 958 V CB -0.756 31.096 31.823 0.049 0.000 0.641 958 V HN 0.696 nan 8.190 nan 0.000 0.445 959 D N -0.292 120.178 120.400 0.116 0.000 2.123 959 D HA -0.183 4.458 4.640 0.002 0.000 0.196 959 D C 1.935 178.295 176.300 0.099 0.000 0.992 959 D CA 1.361 55.453 54.000 0.154 0.000 0.833 959 D CB -0.185 40.762 40.800 0.245 0.000 0.954 959 D HN 0.306 nan 8.370 nan 0.000 0.455 960 L N 0.347 121.566 121.223 -0.007 0.000 2.056 960 L HA 0.066 4.407 4.340 0.002 0.000 0.207 960 L C 2.195 178.975 176.870 -0.151 0.000 1.078 960 L CA 2.040 56.698 54.840 -0.304 0.000 0.749 960 L CB -1.013 40.674 42.059 -0.619 0.000 0.901 960 L HN 0.052 nan 8.230 nan 0.000 0.433 961 A N -0.365 122.413 122.820 -0.070 0.000 1.908 961 A HA -0.138 4.183 4.320 0.002 0.000 0.218 961 A C 2.457 180.036 177.584 -0.007 0.000 1.181 961 A CA 1.920 53.937 52.037 -0.032 0.000 0.627 961 A CB -1.172 17.824 19.000 -0.007 0.000 0.818 961 A HN 0.586 nan 8.150 nan 0.000 0.445 962 A N -0.294 122.531 122.820 0.009 0.000 1.877 962 A HA -0.158 4.163 4.320 0.002 0.000 0.216 962 A C 2.098 179.696 177.584 0.023 0.000 1.186 962 A CA 1.888 53.940 52.037 0.025 0.000 0.620 962 A CB -0.479 18.544 19.000 0.038 0.000 0.822 962 A HN 0.517 nan 8.150 nan 0.000 0.443 963 K N -0.455 119.950 120.400 0.008 0.000 2.113 963 K HA -0.094 4.227 4.320 0.002 0.000 0.208 963 K C 1.833 178.427 176.600 -0.010 0.000 1.047 963 K CA 1.467 57.755 56.287 0.001 0.000 0.928 963 K CB -0.368 32.118 32.500 -0.024 0.000 0.716 963 K HN 0.483 nan 8.250 nan 0.000 0.446 964 L N 0.527 121.721 121.223 -0.049 0.000 2.056 964 L HA -0.184 4.157 4.340 0.002 0.000 0.207 964 L C 2.233 179.183 176.870 0.134 0.000 1.078 964 L CA 0.978 55.791 54.840 -0.045 0.000 0.749 964 L CB -0.350 41.619 42.059 -0.150 0.000 0.901 964 L HN 0.192 nan 8.230 nan 0.000 0.433 965 L N -0.329 120.951 121.223 0.094 0.000 1.989 965 L HA -0.273 4.068 4.340 0.002 0.000 0.211 965 L C 2.702 179.631 176.870 0.098 0.000 1.071 965 L CA 1.434 56.339 54.840 0.107 0.000 0.749 965 L CB -0.564 41.537 42.059 0.070 0.000 0.890 965 L HN 0.230 nan 8.230 nan 0.000 0.431 966 K N -0.216 120.228 120.400 0.074 0.000 2.160 966 K HA -0.259 4.062 4.320 0.002 0.000 0.206 966 K C 2.107 178.757 176.600 0.083 0.000 1.047 966 K CA 1.512 57.838 56.287 0.065 0.000 0.930 966 K CB 0.050 32.580 32.500 0.049 0.000 0.720 966 K HN 0.189 nan 8.250 nan 0.000 0.450 967 Q N -1.303 118.575 119.800 0.131 0.000 2.435 967 Q HA 0.013 4.354 4.340 0.002 0.000 0.207 967 Q C 0.839 176.927 176.000 0.146 0.000 0.956 967 Q CA 1.025 56.929 55.803 0.168 0.000 0.917 967 Q CB 0.648 29.552 28.738 0.275 0.000 0.997 967 Q HN 0.560 nan 8.270 nan 0.000 0.497 968 G N -1.730 107.156 108.800 0.144 0.000 2.168 968 G HA2 -0.229 3.732 3.960 0.002 0.000 0.197 968 G HA3 -0.229 3.732 3.960 0.002 0.000 0.197 968 G C -0.155 174.763 174.900 0.030 0.000 0.997 968 G CA -0.464 44.670 45.100 0.056 0.000 0.658 968 G HN 0.222 nan 8.290 nan 0.000 0.513 969 F N 1.341 121.320 119.950 0.047 0.000 2.410 969 F HA 0.554 5.082 4.527 0.002 0.000 0.334 969 F C 1.170 177.011 175.800 0.069 0.000 1.134 969 F CA 0.105 58.146 58.000 0.067 0.000 1.227 969 F CB 0.673 39.709 39.000 0.060 0.000 1.194 969 F HN 0.098 nan 8.300 nan 0.000 0.571 970 E N 1.508 121.862 120.200 0.257 0.000 2.250 970 E HA 0.644 4.995 4.350 0.002 0.000 0.265 970 E C -1.179 175.555 176.600 0.222 0.000 1.033 970 E CA -0.704 55.808 56.400 0.187 0.000 0.888 970 E CB 1.473 31.252 29.700 0.131 0.000 1.151 970 E HN 0.369 nan 8.360 nan 0.000 0.412 971 L N 1.054 122.372 121.223 0.158 0.000 2.388 971 L HA 0.554 4.895 4.340 0.002 0.000 0.264 971 L C -0.932 176.009 176.870 0.118 0.000 0.998 971 L CA -1.010 53.911 54.840 0.137 0.000 0.817 971 L CB 1.918 44.028 42.059 0.084 0.000 1.338 971 L HN 0.387 nan 8.230 nan 0.000 0.414 972 D N 0.724 121.184 120.400 0.101 0.000 2.490 972 D HA 0.869 5.510 4.640 0.002 0.000 0.232 972 D C -1.042 175.258 176.300 0.000 0.000 1.053 972 D CA -0.165 53.886 54.000 0.085 0.000 0.914 972 D CB 2.467 43.374 40.800 0.179 0.000 1.431 972 D HN 0.733 nan 8.370 nan 0.000 0.483 973 A N 0.145 122.966 122.820 0.002 0.000 2.604 973 A HA 0.651 4.972 4.320 0.002 0.000 0.295 973 A C -0.314 177.266 177.584 -0.007 0.000 1.067 973 A CA -0.815 51.209 52.037 -0.022 0.000 0.683 973 A CB 0.931 19.918 19.000 -0.021 0.000 1.281 973 A HN 0.461 nan 8.150 nan 0.000 0.407 974 T N -1.154 113.396 114.554 -0.007 0.000 2.849 974 T HA 0.364 4.715 4.350 0.002 0.000 0.284 974 T C 1.170 175.904 174.700 0.057 0.000 1.004 974 T CA 0.747 62.862 62.100 0.026 0.000 1.021 974 T CB 0.476 69.358 68.868 0.023 0.000 1.013 974 T HN 0.871 nan 8.240 nan 0.000 0.527 975 H N 1.696 120.759 119.070 -0.011 0.000 2.275 975 H HA -0.211 4.346 4.556 0.001 0.000 0.287 975 H C 2.369 177.697 175.328 0.001 0.000 1.097 975 H CA 2.625 58.671 56.048 -0.003 0.000 1.169 975 H CB -0.855 28.906 29.762 -0.003 0.000 1.349 975 H HN 0.811 nan 8.280 nan 0.000 0.501 976 G N -1.860 107.097 108.800 0.262 0.000 2.422 976 G HA2 -0.242 3.719 3.960 0.002 0.000 0.218 976 G HA3 -0.242 3.719 3.960 0.002 0.000 0.218 976 G C 1.690 176.625 174.900 0.059 0.000 1.146 976 G CA 1.184 46.388 45.100 0.173 0.000 0.769 976 G HN 0.496 nan 8.290 nan 0.000 0.547 977 T N 1.733 116.309 114.554 0.037 0.000 2.737 977 T HA 0.042 4.393 4.350 0.002 0.000 0.265 977 T C 2.842 177.535 174.700 -0.012 0.000 1.038 977 T CA 1.391 63.497 62.100 0.009 0.000 1.144 977 T CB -0.399 68.467 68.868 -0.002 0.000 0.866 977 T HN 0.356 nan 8.240 nan 0.000 0.434 978 A N 1.803 124.602 122.820 -0.035 0.000 1.908 978 A HA -0.093 4.228 4.320 0.002 0.000 0.218 978 A C 2.257 179.795 177.584 -0.076 0.000 1.181 978 A CA 1.186 53.184 52.037 -0.064 0.000 0.627 978 A CB -0.774 18.166 19.000 -0.100 0.000 0.818 978 A HN 0.385 nan 8.150 nan 0.000 0.445 979 I N -0.122 120.388 120.570 -0.100 0.000 2.127 979 I HA -0.217 3.954 4.170 0.002 0.000 0.241 979 I C 2.551 178.652 176.117 -0.026 0.000 1.075 979 I CA 1.457 62.713 61.300 -0.074 0.000 1.334 979 I CB -1.366 36.610 38.000 -0.040 0.000 1.040 979 I HN 0.171 nan 8.210 nan 0.000 0.405 980 V N 0.932 120.842 119.914 -0.006 0.000 2.343 980 V HA -0.262 3.859 4.120 0.002 0.000 0.247 980 V C 2.621 178.717 176.094 0.003 0.000 1.051 980 V CA 1.461 63.765 62.300 0.006 0.000 1.036 980 V CB -0.564 31.268 31.823 0.016 0.000 0.654 980 V HN 0.316 nan 8.190 nan 0.000 0.451 981 L N 0.319 121.541 121.223 -0.003 0.000 2.012 981 L HA -0.115 4.226 4.340 0.002 0.000 0.210 981 L C 2.714 179.583 176.870 -0.002 0.000 1.073 981 L CA 1.900 56.740 54.840 0.000 0.000 0.748 981 L CB -1.290 40.768 42.059 -0.002 0.000 0.891 981 L HN 0.464 nan 8.230 nan 0.000 0.431 982 G N -0.168 108.624 108.800 -0.013 0.000 2.529 982 G HA2 -0.297 3.664 3.960 0.002 0.000 0.219 982 G HA3 -0.297 3.664 3.960 0.002 0.000 0.219 982 G C 1.350 176.247 174.900 -0.005 0.000 1.177 982 G CA 0.996 46.087 45.100 -0.014 0.000 0.773 982 G HN 0.489 nan 8.290 nan 0.000 0.573 983 E N 0.659 120.857 120.200 -0.003 0.000 2.265 983 E HA -0.017 4.334 4.350 0.002 0.000 0.196 983 E C 2.573 179.178 176.600 0.008 0.000 0.996 983 E CA 0.706 57.108 56.400 0.003 0.000 0.832 983 E CB -0.135 29.568 29.700 0.006 0.000 0.756 983 E HN 0.477 nan 8.360 nan 0.000 0.491 984 A N 0.291 123.116 122.820 0.009 0.000 2.275 984 A HA 0.335 4.656 4.320 0.002 0.000 0.212 984 A C 1.686 179.278 177.584 0.013 0.000 1.201 984 A CA 0.728 52.774 52.037 0.014 0.000 0.843 984 A CB 0.152 19.163 19.000 0.018 0.000 0.873 984 A HN 0.319 nan 8.150 nan 0.000 0.492 985 G N -1.115 107.691 108.800 0.010 0.000 2.163 985 G HA2 -0.152 3.809 3.960 0.002 0.000 0.213 985 G HA3 -0.152 3.809 3.960 0.002 0.000 0.213 985 G C -0.030 174.877 174.900 0.012 0.000 0.991 985 G CA 0.039 45.145 45.100 0.011 0.000 0.653 985 G HN 0.398 nan 8.290 nan 0.000 0.518 986 I N 1.118 121.695 120.570 0.011 0.000 2.378 986 I HA 0.331 4.502 4.170 0.002 0.000 0.291 986 I C -0.337 175.785 176.117 0.008 0.000 0.992 986 I CA -0.700 60.609 61.300 0.014 0.000 1.154 986 I CB 1.623 39.633 38.000 0.017 0.000 1.315 986 I HN 0.082 nan 8.210 nan 0.000 0.448 987 N N 7.913 126.619 118.700 0.011 0.000 2.626 987 N HA 0.355 5.096 4.740 0.002 0.000 0.242 987 N C -2.461 173.057 175.510 0.014 0.000 1.005 987 N CA -1.241 51.812 53.050 0.006 0.000 0.905 987 N CB 1.245 39.734 38.487 0.003 0.000 1.128 987 N HN 0.403 nan 8.380 nan 0.000 0.512 988 P HA 0.164 nan 4.420 nan 0.000 0.278 988 P C -0.640 176.674 177.300 0.024 0.000 1.266 988 P CA -0.570 62.545 63.100 0.025 0.000 0.807 988 P CB 1.258 32.969 31.700 0.018 0.000 1.094 989 R N 0.826 121.351 120.500 0.043 0.000 2.438 989 R HA 0.285 4.626 4.340 0.002 0.000 0.287 989 R C -0.256 176.066 176.300 0.037 0.000 1.077 989 R CA -0.604 55.521 56.100 0.041 0.000 1.034 989 R CB -0.005 30.330 30.300 0.060 0.000 0.993 989 R HN 0.390 nan 8.270 nan 0.000 0.459 990 L N 5.011 126.246 121.223 0.021 0.000 2.371 990 L HA 0.357 4.698 4.340 0.002 0.000 0.272 990 L C -0.911 175.981 176.870 0.037 0.000 1.124 990 L CA 0.061 54.910 54.840 0.016 0.000 0.816 990 L CB 1.598 43.654 42.059 -0.005 0.000 1.129 990 L HN 0.476 nan 8.230 nan 0.000 0.448 991 V N 5.544 125.485 119.914 0.045 0.000 2.769 991 V HA 0.481 4.602 4.120 0.002 0.000 0.312 991 V C -0.241 175.881 176.094 0.047 0.000 1.061 991 V CA -0.736 61.601 62.300 0.063 0.000 0.931 991 V CB 2.152 34.041 31.823 0.109 0.000 1.010 991 V HN 0.974 nan 8.190 nan 0.000 0.433 992 N N 3.876 122.606 118.700 0.049 0.000 2.529 992 N HA 0.308 5.049 4.740 0.002 0.000 0.278 992 N C -0.670 174.849 175.510 0.015 0.000 1.146 992 N CA -0.408 52.656 53.050 0.023 0.000 0.980 992 N CB 0.840 39.347 38.487 0.033 0.000 1.124 992 N HN 0.594 nan 8.380 nan 0.000 0.458 993 K N 1.055 121.388 120.400 -0.110 0.000 2.202 993 K HA 0.092 4.413 4.320 0.002 0.000 0.264 993 K C 1.025 177.511 176.600 -0.189 0.000 1.010 993 K CA -0.566 55.617 56.287 -0.173 0.000 0.940 993 K CB 1.020 33.335 32.500 -0.308 0.000 0.983 993 K HN 0.260 nan 8.250 nan 0.000 0.475 994 V N 1.900 121.725 119.914 -0.148 0.000 2.277 994 V HA -0.331 3.790 4.120 0.002 0.000 0.253 994 V C 2.067 178.141 176.094 -0.033 0.000 1.067 994 V CA 2.455 64.622 62.300 -0.221 0.000 1.047 994 V CB -1.200 30.438 31.823 -0.308 0.000 0.649 994 V HN 0.889 nan 8.190 nan 0.000 0.447 995 H N -0.686 118.369 119.070 -0.024 0.000 2.524 995 H HA 0.035 4.592 4.556 0.001 0.000 0.282 995 H C 1.923 177.266 175.328 0.024 0.000 1.016 995 H CA 1.254 57.302 56.048 -0.000 0.000 1.270 995 H CB -0.332 29.419 29.762 -0.018 0.000 1.394 995 H HN 0.499 nan 8.280 nan 0.000 0.568 996 E N 0.405 120.391 120.200 -0.357 0.000 2.216 996 E HA 0.214 4.565 4.350 0.002 0.000 0.192 996 E C 0.907 177.481 176.600 -0.044 0.000 0.988 996 E CA 0.478 56.754 56.400 -0.206 0.000 0.834 996 E CB 0.375 29.916 29.700 -0.265 0.000 0.772 996 E HN 0.662 nan 8.360 nan 0.000 0.479 997 G N 0.086 108.893 108.800 0.012 0.000 2.334 997 G HA2 0.074 4.035 3.960 0.002 0.000 0.249 997 G HA3 0.074 4.035 3.960 0.002 0.000 0.249 997 G C -1.435 173.491 174.900 0.044 0.000 1.327 997 G CA -1.042 44.081 45.100 0.037 0.000 0.979 997 G HN -0.015 nan 8.290 nan 0.000 0.471 998 R N 0.426 120.910 120.500 -0.027 0.000 2.686 998 R HA 0.619 4.960 4.340 0.002 0.000 0.283 998 R C -2.567 173.680 176.300 -0.088 0.000 0.978 998 R CA -1.335 54.695 56.100 -0.118 0.000 0.897 998 R CB 2.168 32.371 30.300 -0.161 0.000 1.192 998 R HN 0.441 nan 8.270 nan 0.000 0.457 999 P HA 0.210 nan 4.420 nan 0.000 0.284 999 P C -1.055 176.189 177.300 -0.093 0.000 1.258 999 P CA -0.472 62.511 63.100 -0.195 0.000 0.824 999 P CB 0.704 32.303 31.700 -0.167 0.000 1.038 1000 H N -0.127 118.939 119.070 -0.007 0.000 2.615 1000 H HA 0.287 4.844 4.556 0.002 0.000 0.346 1000 H C 1.102 176.445 175.328 0.026 0.000 1.200 1000 H CA -0.901 55.146 56.048 -0.002 0.000 1.264 1000 H CB 1.021 30.772 29.762 -0.018 0.000 1.699 1000 H HN 0.208 nan 8.280 nan 0.000 0.567 1001 I N -1.307 119.436 120.570 0.288 0.000 2.143 1001 I HA -0.363 3.808 4.170 0.002 0.000 0.245 1001 I C 2.469 178.738 176.117 0.254 0.000 1.068 1001 I CA 1.659 63.098 61.300 0.231 0.000 1.326 1001 I CB -0.815 37.242 38.000 0.094 0.000 1.028 1001 I HN 0.560 nan 8.210 nan 0.000 0.412 1002 Q N 1.103 121.071 119.800 0.281 0.000 2.096 1002 Q HA -0.256 4.085 4.340 0.002 0.000 0.204 1002 Q C 1.883 178.006 176.000 0.205 0.000 0.982 1002 Q CA 2.293 58.216 55.803 0.200 0.000 0.850 1002 Q CB -0.426 28.328 28.738 0.026 0.000 0.901 1002 Q HN 0.641 nan 8.270 nan 0.000 0.422 1003 D N -0.029 120.552 120.400 0.302 0.000 2.084 1003 D HA -0.128 4.513 4.640 0.002 0.000 0.194 1003 D C 2.115 178.382 176.300 -0.055 0.000 0.990 1003 D CA 0.949 54.952 54.000 0.006 0.000 0.826 1003 D CB -0.108 40.556 40.800 -0.227 0.000 0.971 1003 D HN 0.266 nan 8.370 nan 0.000 0.453 1004 R N 0.340 120.834 120.500 -0.011 0.000 2.083 1004 R HA -0.078 4.263 4.340 0.002 0.000 0.237 1004 R C 2.598 178.795 176.300 -0.171 0.000 1.137 1004 R CA 0.791 56.819 56.100 -0.120 0.000 0.951 1004 R CB -0.390 29.859 30.300 -0.085 0.000 0.851 1004 R HN 0.288 nan 8.270 nan 0.000 0.434 1005 I N 1.185 121.773 120.570 0.030 0.000 2.226 1005 I HA -0.277 3.894 4.170 0.002 0.000 0.245 1005 I C 2.594 178.553 176.117 -0.263 0.000 1.100 1005 I CA 1.323 62.648 61.300 0.042 0.000 1.374 1005 I CB -0.354 37.738 38.000 0.154 0.000 1.057 1005 I HN 0.180 nan 8.210 nan 0.000 0.413 1006 K N 1.510 121.676 120.400 -0.390 0.000 2.362 1006 K HA -0.128 4.193 4.320 0.002 0.000 0.200 1006 K C 1.073 177.323 176.600 -0.582 0.000 1.046 1006 K CA 1.599 57.333 56.287 -0.921 0.000 0.952 1006 K CB -0.172 31.935 32.500 -0.654 0.000 0.753 1006 K HN 0.370 nan 8.250 nan 0.000 0.466 1007 N N -0.282 118.226 118.700 -0.320 0.000 2.336 1007 N HA 0.117 4.858 4.740 0.002 0.000 0.189 1007 N C 0.231 175.633 175.510 -0.181 0.000 1.113 1007 N CA 0.460 53.378 53.050 -0.219 0.000 0.858 1007 N CB 1.129 39.515 38.487 -0.168 0.000 0.970 1007 N HN 0.391 nan 8.380 nan 0.000 0.471 1008 G N 0.879 109.566 108.800 -0.189 0.000 2.136 1008 G HA2 -0.277 3.684 3.960 0.002 0.000 0.242 1008 G HA3 -0.277 3.684 3.960 0.002 0.000 0.242 1008 G C 0.732 175.535 174.900 -0.162 0.000 0.989 1008 G CA -0.023 45.010 45.100 -0.112 0.000 0.682 1008 G HN 0.331 nan 8.290 nan 0.000 0.522 1009 E N -1.208 118.788 120.200 -0.341 0.000 2.338 1009 E HA -0.007 4.344 4.350 0.002 0.000 0.197 1009 E C 0.142 176.425 176.600 -0.529 0.000 1.007 1009 E CA 0.942 57.034 56.400 -0.513 0.000 0.849 1009 E CB 0.082 29.274 29.700 -0.847 0.000 0.774 1009 E HN 0.689 nan 8.360 nan 0.000 0.506 1010 Y N -0.788 119.548 120.300 0.060 0.000 2.499 1010 Y HA 0.156 4.707 4.550 0.001 0.000 0.347 1010 Y C 1.253 177.233 175.900 0.133 0.000 0.987 1010 Y CA -0.906 57.257 58.100 0.104 0.000 1.044 1010 Y CB 1.727 40.236 38.460 0.082 0.000 1.245 1010 Y HN -0.199 nan 8.280 nan 0.000 0.461 1011 T N -2.610 112.176 114.554 0.386 0.000 3.010 1011 T HA 0.243 4.594 4.350 0.002 0.000 0.257 1011 T C -0.699 174.270 174.700 0.447 0.000 1.020 1011 T CA 0.054 62.346 62.100 0.321 0.000 0.938 1011 T CB -0.059 68.926 68.868 0.195 0.000 1.049 1011 T HN 0.467 nan 8.240 nan 0.000 0.522 1012 Y N 0.271 120.737 120.300 0.277 0.000 2.482 1012 Y HA 0.654 5.205 4.550 0.002 0.000 0.334 1012 Y C -2.282 173.654 175.900 0.060 0.000 1.091 1012 Y CA -2.542 55.655 58.100 0.161 0.000 1.027 1012 Y CB 1.375 39.837 38.460 0.004 0.000 1.306 1012 Y HN 0.133 nan 8.280 nan 0.000 0.446 1013 I N 6.851 126.877 120.570 -0.907 0.000 2.582 1013 I HA 0.460 4.631 4.170 0.002 0.000 0.292 1013 I C -1.482 174.116 176.117 -0.865 0.000 1.066 1013 I CA -0.946 59.919 61.300 -0.724 0.000 1.053 1013 I CB 2.204 40.016 38.000 -0.313 0.000 1.241 1013 I HN 0.538 nan 8.210 nan 0.000 0.421 1014 I N 6.912 127.134 120.570 -0.580 0.000 2.411 1014 I HA 0.425 4.596 4.170 0.002 0.000 0.284 1014 I C -1.101 174.920 176.117 -0.161 0.000 1.012 1014 I CA -0.100 61.020 61.300 -0.299 0.000 1.119 1014 I CB 1.008 38.904 38.000 -0.173 0.000 1.261 1014 I HN 0.621 nan 8.210 nan 0.000 0.448 1015 N N 5.215 123.868 118.700 -0.078 0.000 2.533 1015 N HA 0.429 5.170 4.740 0.002 0.000 0.289 1015 N C -1.407 174.098 175.510 -0.009 0.000 1.103 1015 N CA -0.303 52.712 53.050 -0.058 0.000 0.877 1015 N CB 1.383 39.827 38.487 -0.072 0.000 1.419 1015 N HN 0.631 nan 8.380 nan 0.000 0.517 1016 T N 0.416 114.967 114.554 -0.006 0.000 2.856 1016 T HA 0.639 4.990 4.350 0.002 0.000 0.283 1016 T C -0.555 174.145 174.700 -0.000 0.000 1.008 1016 T CA -0.325 61.785 62.100 0.016 0.000 0.997 1016 T CB 1.842 70.732 68.868 0.037 0.000 0.992 1016 T HN 0.277 nan 8.240 nan 0.000 0.454 1017 T N 1.864 116.418 114.554 -0.000 0.000 2.956 1017 T HA 0.638 4.989 4.350 0.002 0.000 0.312 1017 T C -0.977 173.699 174.700 -0.041 0.000 1.151 1017 T CA -0.763 61.320 62.100 -0.027 0.000 1.024 1017 T CB 1.892 70.740 68.868 -0.034 0.000 1.140 1017 T HN 0.714 nan 8.240 nan 0.000 0.473 1018 S N 0.971 116.613 115.700 -0.096 0.000 2.538 1018 S HA 0.806 5.277 4.470 0.002 0.000 0.288 1018 S C -0.152 174.264 174.600 -0.306 0.000 1.108 1018 S CA 0.293 58.378 58.200 -0.191 0.000 0.971 1018 S CB 1.130 64.186 63.200 -0.240 0.000 1.041 1018 S HN 1.569 nan 8.310 nan 0.000 0.483 1019 G N 3.320 111.915 108.800 -0.342 0.000 3.421 1019 G HA2 -0.121 3.840 3.960 0.002 0.000 0.686 1019 G HA3 -0.121 3.840 3.960 0.002 0.000 0.686 1019 G C 0.132 174.973 174.900 -0.099 0.000 1.056 1019 G CA 0.046 44.977 45.100 -0.282 0.000 0.891 1019 G HN 0.802 nan 8.290 nan 0.000 0.514 1020 R N 1.581 122.070 120.500 -0.020 0.000 2.224 1020 R HA -0.280 4.061 4.340 0.002 0.000 0.255 1020 R C 2.590 178.877 176.300 -0.022 0.000 1.130 1020 R CA 3.151 59.251 56.100 -0.001 0.000 0.957 1020 R CB -0.320 30.000 30.300 0.033 0.000 0.907 1020 R HN 0.753 nan 8.270 nan 0.000 0.446 1021 R N -0.788 119.693 120.500 -0.031 0.000 2.066 1021 R HA -0.049 4.292 4.340 0.002 0.000 0.232 1021 R C 2.119 178.388 176.300 -0.051 0.000 1.131 1021 R CA 1.635 57.712 56.100 -0.038 0.000 0.955 1021 R CB -0.483 29.794 30.300 -0.038 0.000 0.851 1021 R HN 0.351 nan 8.270 nan 0.000 0.432 1022 A N 0.896 123.677 122.820 -0.065 0.000 2.024 1022 A HA -0.116 4.205 4.320 0.002 0.000 0.220 1022 A C 2.123 179.674 177.584 -0.056 0.000 1.164 1022 A CA 1.309 53.307 52.037 -0.066 0.000 0.643 1022 A CB -0.507 18.444 19.000 -0.081 0.000 0.806 1022 A HN 0.416 nan 8.150 nan 0.000 0.451 1023 I N -0.507 120.031 120.570 -0.053 0.000 2.233 1023 I HA -0.217 3.954 4.170 0.002 0.000 0.243 1023 I C 2.345 178.436 176.117 -0.043 0.000 1.093 1023 I CA 1.462 62.736 61.300 -0.044 0.000 1.380 1023 I CB -0.561 37.419 38.000 -0.034 0.000 1.067 1023 I HN 0.455 nan 8.210 nan 0.000 0.413 1024 E N 0.804 120.981 120.200 -0.038 0.000 2.153 1024 E HA -0.222 4.129 4.350 0.002 0.000 0.194 1024 E C 1.500 178.074 176.600 -0.043 0.000 0.988 1024 E CA 1.083 57.461 56.400 -0.037 0.000 0.811 1024 E CB -0.120 29.562 29.700 -0.030 0.000 0.746 1024 E HN 0.496 nan 8.360 nan 0.000 0.466 1025 D N 0.669 121.041 120.400 -0.047 0.000 2.149 1025 D HA -0.075 4.566 4.640 0.002 0.000 0.201 1025 D C 1.958 178.234 176.300 -0.040 0.000 0.972 1025 D CA 1.363 55.334 54.000 -0.049 0.000 0.835 1025 D CB -0.031 40.734 40.800 -0.059 0.000 0.966 1025 D HN 0.148 nan 8.370 nan 0.000 0.476 1026 S N 0.174 115.848 115.700 -0.044 0.000 2.593 1026 S HA 0.071 4.542 4.470 0.002 0.000 0.217 1026 S C 1.662 176.221 174.600 -0.069 0.000 0.966 1026 S CA -0.329 57.842 58.200 -0.049 0.000 0.914 1026 S CB 0.443 63.614 63.200 -0.049 0.000 0.776 1026 S HN 0.104 nan 8.310 nan 0.000 0.523 1027 R N 1.226 121.687 120.500 -0.066 0.000 2.134 1027 R HA -0.153 4.188 4.340 0.002 0.000 0.248 1027 R C 2.122 178.367 176.300 -0.091 0.000 1.143 1027 R CA 1.905 57.959 56.100 -0.077 0.000 0.957 1027 R CB -0.927 29.338 30.300 -0.059 0.000 0.867 1027 R HN 0.425 nan 8.270 nan 0.000 0.441 1028 V N 1.182 121.050 119.914 -0.077 0.000 2.392 1028 V HA -0.234 3.887 4.120 0.002 0.000 0.249 1028 V C 2.139 178.177 176.094 -0.093 0.000 1.059 1028 V CA 1.894 64.148 62.300 -0.076 0.000 1.051 1028 V CB -0.200 31.579 31.823 -0.074 0.000 0.658 1028 V HN 0.327 nan 8.190 nan 0.000 0.455 1029 I N -0.307 120.196 120.570 -0.111 0.000 2.142 1029 I HA -0.243 3.928 4.170 0.002 0.000 0.240 1029 I C 2.772 178.743 176.117 -0.243 0.000 1.078 1029 I CA 2.013 63.229 61.300 -0.139 0.000 1.343 1029 I CB -0.588 37.329 38.000 -0.138 0.000 1.046 1029 I HN 0.233 nan 8.210 nan 0.000 0.405 1030 R N 0.568 120.889 120.500 -0.298 0.000 2.075 1030 R HA -0.081 4.260 4.340 0.002 0.000 0.232 1030 R C 2.512 178.541 176.300 -0.450 0.000 1.126 1030 R CA 1.061 56.849 56.100 -0.522 0.000 0.963 1030 R CB -0.330 29.752 30.300 -0.363 0.000 0.858 1030 R HN 0.361 nan 8.270 nan 0.000 0.435 1031 R N 0.244 120.600 120.500 -0.241 0.000 2.083 1031 R HA -0.082 4.259 4.340 0.002 0.000 0.237 1031 R C 2.419 178.642 176.300 -0.127 0.000 1.137 1031 R CA 1.767 57.775 56.100 -0.154 0.000 0.951 1031 R CB -0.376 29.867 30.300 -0.093 0.000 0.851 1031 R HN 0.145 nan 8.270 nan 0.000 0.434 1032 S N 0.844 116.497 115.700 -0.079 0.000 2.355 1032 S HA -0.113 4.358 4.470 0.002 0.000 0.222 1032 S C 2.144 176.791 174.600 0.078 0.000 1.031 1032 S CA 1.130 59.369 58.200 0.066 0.000 0.993 1032 S CB -0.230 63.051 63.200 0.136 0.000 0.859 1032 S HN 0.480 nan 8.310 nan 0.000 0.453 1033 A N 1.401 124.159 122.820 -0.103 0.000 1.892 1033 A HA -0.142 4.179 4.320 0.002 0.000 0.218 1033 A C 2.156 179.721 177.584 -0.032 0.000 1.188 1033 A CA 1.708 53.667 52.037 -0.130 0.000 0.631 1033 A CB -0.802 17.876 19.000 -0.537 0.000 0.822 1033 A HN 0.427 nan 8.150 nan 0.000 0.447 1034 L N -0.492 120.657 121.223 -0.123 0.000 2.056 1034 L HA -0.159 4.182 4.340 0.002 0.000 0.207 1034 L C 2.596 179.454 176.870 -0.021 0.000 1.078 1034 L CA 2.527 57.393 54.840 0.045 0.000 0.749 1034 L CB -0.558 41.544 42.059 0.071 0.000 0.901 1034 L HN 0.613 nan 8.230 nan 0.000 0.433 1035 Q N -1.465 118.250 119.800 -0.142 0.000 2.170 1035 Q HA -0.226 4.115 4.340 0.002 0.000 0.203 1035 Q C 1.053 176.750 176.000 -0.504 0.000 0.976 1035 Q CA 1.781 57.373 55.803 -0.352 0.000 0.858 1035 Q CB -0.134 28.299 28.738 -0.508 0.000 0.907 1035 Q HN 0.691 nan 8.270 nan 0.000 0.433 1036 Y N 0.249 120.567 120.300 0.031 0.000 2.524 1036 Y HA 0.188 4.739 4.550 0.002 0.000 0.266 1036 Y C -0.109 175.834 175.900 0.071 0.000 1.180 1036 Y CA -0.457 57.670 58.100 0.046 0.000 1.244 1036 Y CB 0.838 39.325 38.460 0.044 0.000 1.125 1036 Y HN -0.052 nan 8.280 nan 0.000 0.524 1037 K N -0.950 119.542 120.400 0.153 0.000 3.069 1037 K HA -0.160 4.161 4.320 0.002 0.000 0.267 1037 K C -0.672 176.050 176.600 0.204 0.000 1.082 1037 K CA 0.338 56.722 56.287 0.161 0.000 0.782 1037 K CB -2.508 30.072 32.500 0.133 0.000 1.230 1037 K HN 0.158 nan 8.250 nan 0.000 0.488 1038 V N 1.042 121.096 119.914 0.233 0.000 2.481 1038 V HA 0.141 4.262 4.120 0.002 0.000 0.286 1038 V C 0.773 177.052 176.094 0.309 0.000 1.042 1038 V CA -0.774 61.682 62.300 0.261 0.000 0.928 1038 V CB 1.334 33.305 31.823 0.246 0.000 0.986 1038 V HN 0.359 nan 8.190 nan 0.000 0.462 1039 H N 4.832 124.056 119.070 0.257 0.000 2.929 1039 H HA 0.331 4.888 4.556 0.002 0.000 0.317 1039 H C -0.667 174.823 175.328 0.270 0.000 1.031 1039 H CA 0.202 56.402 56.048 0.253 0.000 1.466 1039 H CB 0.168 30.080 29.762 0.250 0.000 1.482 1039 H HN 0.657 nan 8.280 nan 0.000 0.561 1040 Y N 1.594 121.594 120.300 -0.501 0.000 2.512 1040 Y HA 0.484 5.035 4.550 0.002 0.000 0.348 1040 Y C -1.277 174.437 175.900 -0.311 0.000 0.990 1040 Y CA -1.410 56.485 58.100 -0.341 0.000 1.033 1040 Y CB 1.419 39.735 38.460 -0.239 0.000 1.259 1040 Y HN 0.411 nan 8.280 nan 0.000 0.461 1041 D N 1.274 121.611 120.400 -0.105 0.000 2.256 1041 D HA 0.246 4.887 4.640 0.002 0.000 0.246 1041 D C 0.294 176.616 176.300 0.037 0.000 1.042 1041 D CA -0.376 53.620 54.000 -0.007 0.000 0.841 1041 D CB 2.176 43.097 40.800 0.202 0.000 1.223 1041 D HN 0.814 nan 8.370 nan 0.000 0.470 1042 T N -2.582 112.002 114.554 0.050 0.000 3.092 1042 T HA 0.173 4.524 4.350 0.002 0.000 0.258 1042 T C 0.556 175.308 174.700 0.086 0.000 1.031 1042 T CA -0.216 61.936 62.100 0.086 0.000 0.925 1042 T CB -0.149 68.783 68.868 0.108 0.000 1.036 1042 T HN 0.384 nan 8.240 nan 0.000 0.544 1043 T N -0.855 113.760 114.554 0.101 0.000 2.916 1043 T HA 0.593 4.944 4.350 0.002 0.000 0.298 1043 T C 0.565 175.349 174.700 0.141 0.000 1.031 1043 T CA -0.853 61.321 62.100 0.123 0.000 0.993 1043 T CB 1.697 70.651 68.868 0.143 0.000 1.045 1043 T HN -0.102 nan 8.240 nan 0.000 0.454 1044 L N 2.454 123.770 121.223 0.156 0.000 2.083 1044 L HA 0.021 4.362 4.340 0.002 0.000 0.209 1044 L C 2.253 179.331 176.870 0.346 0.000 1.083 1044 L CA 1.643 56.613 54.840 0.216 0.000 0.752 1044 L CB -0.889 41.326 42.059 0.260 0.000 0.899 1044 L HN 0.702 nan 8.230 nan 0.000 0.433 1045 N N -0.425 118.438 118.700 0.273 0.000 2.120 1045 N HA -0.135 4.606 4.740 0.002 0.000 0.188 1045 N C 1.821 177.477 175.510 0.243 0.000 1.024 1045 N CA 1.423 54.633 53.050 0.267 0.000 0.852 1045 N CB -0.756 37.847 38.487 0.194 0.000 1.003 1045 N HN 0.424 nan 8.380 nan 0.000 0.424 1046 G N -0.188 108.731 108.800 0.199 0.000 2.418 1046 G HA2 -0.157 3.804 3.960 0.002 0.000 0.217 1046 G HA3 -0.157 3.804 3.960 0.002 0.000 0.217 1046 G C 1.618 176.601 174.900 0.137 0.000 1.158 1046 G CA 1.051 46.258 45.100 0.179 0.000 0.771 1046 G HN 0.435 nan 8.290 nan 0.000 0.545 1047 G N 0.484 109.366 108.800 0.137 0.000 2.446 1047 G HA2 -0.187 3.774 3.960 0.002 0.000 0.217 1047 G HA3 -0.187 3.774 3.960 0.002 0.000 0.217 1047 G C 1.608 176.429 174.900 -0.132 0.000 1.168 1047 G CA 0.822 45.948 45.100 0.044 0.000 0.771 1047 G HN 0.347 nan 8.290 nan 0.000 0.551 1048 F N 1.705 121.649 119.950 -0.011 0.000 2.134 1048 F HA 0.051 4.579 4.527 0.002 0.000 0.299 1048 F C 3.068 178.792 175.800 -0.127 0.000 1.097 1048 F CA 1.047 59.017 58.000 -0.050 0.000 1.264 1048 F CB -0.405 38.584 39.000 -0.018 0.000 1.001 1048 F HN 0.243 nan 8.300 nan 0.000 0.479 1049 A N -0.545 122.243 122.820 -0.052 0.000 1.883 1049 A HA -0.206 4.115 4.320 0.002 0.000 0.217 1049 A C 2.241 179.503 177.584 -0.537 0.000 1.186 1049 A CA 2.384 54.125 52.037 -0.494 0.000 0.624 1049 A CB -1.373 16.972 19.000 -1.092 0.000 0.822 1049 A HN 0.344 nan 8.150 nan 0.000 0.444 1050 T N 0.195 114.585 114.554 -0.273 0.000 2.759 1050 T HA -0.052 4.299 4.350 0.002 0.000 0.269 1050 T C 2.187 176.762 174.700 -0.208 0.000 1.042 1050 T CA 1.621 63.642 62.100 -0.133 0.000 1.140 1050 T CB -0.449 68.334 68.868 -0.141 0.000 0.864 1050 T HN 0.619 nan 8.240 nan 0.000 0.455 1051 A N 1.660 124.345 122.820 -0.225 0.000 1.877 1051 A HA -0.095 4.226 4.320 0.002 0.000 0.216 1051 A C 2.350 179.878 177.584 -0.093 0.000 1.186 1051 A CA 1.667 53.585 52.037 -0.199 0.000 0.620 1051 A CB -0.700 18.190 19.000 -0.183 0.000 0.822 1051 A HN 0.471 nan 8.150 nan 0.000 0.443 1052 M N -0.407 119.166 119.600 -0.045 0.000 2.106 1052 M HA -0.211 4.270 4.480 0.002 0.000 0.259 1052 M C 2.484 178.772 176.300 -0.020 0.000 1.068 1052 M CA 1.628 56.931 55.300 0.006 0.000 1.100 1052 M CB -0.641 32.007 32.600 0.081 0.000 1.351 1052 M HN 0.479 nan 8.290 nan 0.000 0.404 1053 A N 0.503 123.296 122.820 -0.045 0.000 2.076 1053 A HA -0.109 4.212 4.320 0.002 0.000 0.220 1053 A C 2.109 179.674 177.584 -0.032 0.000 1.160 1053 A CA 1.204 53.230 52.037 -0.018 0.000 0.653 1053 A CB -0.965 18.077 19.000 0.069 0.000 0.801 1053 A HN 0.489 nan 8.150 nan 0.000 0.455 1054 L N -0.763 120.434 121.223 -0.043 0.000 2.261 1054 L HA -0.204 4.137 4.340 0.002 0.000 0.216 1054 L C 1.603 178.473 176.870 -0.001 0.000 1.114 1054 L CA 1.385 56.214 54.840 -0.020 0.000 0.777 1054 L CB -0.513 41.538 42.059 -0.013 0.000 0.910 1054 L HN 0.511 nan 8.230 nan 0.000 0.440 1055 N N -0.655 118.043 118.700 -0.003 0.000 2.398 1055 N HA 0.149 4.890 4.740 0.002 0.000 0.188 1055 N C 0.212 175.721 175.510 -0.003 0.000 1.122 1055 N CA 0.001 53.054 53.050 0.006 0.000 0.866 1055 N CB 0.356 38.852 38.487 0.015 0.000 0.970 1055 N HN 0.235 nan 8.380 nan 0.000 0.462 1056 A N 0.255 123.064 122.820 -0.017 0.000 2.387 1056 A HA 0.518 4.839 4.320 0.002 0.000 0.303 1056 A C -1.471 176.087 177.584 -0.043 0.000 1.145 1056 A CA -0.564 51.457 52.037 -0.027 0.000 0.801 1056 A CB 1.376 20.354 19.000 -0.036 0.000 1.342 1056 A HN 0.058 nan 8.150 nan 0.000 0.440 1057 D N -0.023 120.346 120.400 -0.052 0.000 2.389 1057 D HA 0.529 5.170 4.640 0.002 0.000 0.256 1057 D C 0.803 177.047 176.300 -0.093 0.000 1.239 1057 D CA 0.236 54.192 54.000 -0.074 0.000 0.925 1057 D CB 1.180 41.942 40.800 -0.063 0.000 1.145 1057 D HN 0.566 nan 8.370 nan 0.000 0.542 1058 A N 2.571 125.321 122.820 -0.117 0.000 2.042 1058 A HA -0.177 4.144 4.320 0.002 0.000 0.222 1058 A C 1.870 179.366 177.584 -0.146 0.000 1.167 1058 A CA 2.243 54.201 52.037 -0.132 0.000 0.649 1058 A CB -0.666 18.238 19.000 -0.159 0.000 0.809 1058 A HN 0.622 nan 8.150 nan 0.000 0.457 1059 T N -3.182 111.268 114.554 -0.174 0.000 3.107 1059 T HA 0.120 4.471 4.350 0.002 0.000 0.249 1059 T C 1.442 176.061 174.700 -0.135 0.000 1.096 1059 T CA 0.814 62.800 62.100 -0.191 0.000 1.012 1059 T CB 0.093 68.801 68.868 -0.267 0.000 0.977 1059 T HN 0.648 nan 8.240 nan 0.000 0.527 1060 E N 1.531 121.671 120.200 -0.101 0.000 2.047 1060 E HA -0.044 4.307 4.350 0.002 0.000 0.191 1060 E C 0.738 177.305 176.600 -0.054 0.000 0.987 1060 E CA 0.694 57.053 56.400 -0.069 0.000 0.799 1060 E CB 0.205 29.875 29.700 -0.050 0.000 0.752 1060 E HN 0.458 nan 8.360 nan 0.000 0.449 1061 K N 0.271 120.641 120.400 -0.050 0.000 2.498 1061 K HA 0.314 4.635 4.320 0.002 0.000 0.254 1061 K C -1.299 175.285 176.600 -0.026 0.000 0.933 1061 K CA -0.695 55.574 56.287 -0.031 0.000 0.806 1061 K CB 2.296 34.787 32.500 -0.014 0.000 1.301 1061 K HN 0.053 nan 8.250 nan 0.000 0.432 1062 V N 1.324 121.238 119.914 -0.000 0.000 2.864 1062 V HA 0.772 4.893 4.120 0.002 0.000 0.314 1062 V C -0.545 175.621 176.094 0.119 0.000 1.073 1062 V CA -0.912 61.423 62.300 0.059 0.000 0.956 1062 V CB 1.705 33.547 31.823 0.031 0.000 1.023 1062 V HN 0.871 nan 8.190 nan 0.000 0.435 1063 I N 2.329 122.970 120.570 0.117 0.000 2.802 1063 I HA 0.712 4.883 4.170 0.002 0.000 0.298 1063 I C 0.145 176.083 176.117 -0.299 0.000 1.176 1063 I CA -0.240 61.044 61.300 -0.028 0.000 1.025 1063 I CB 2.519 40.452 38.000 -0.112 0.000 1.243 1063 I HN 1.111 nan 8.210 nan 0.000 0.424 1064 S N 4.373 119.742 115.700 -0.553 0.000 2.693 1064 S HA 0.350 4.821 4.470 0.002 0.000 0.276 1064 S C 0.887 175.175 174.600 -0.521 0.000 1.192 1064 S CA -0.537 57.130 58.200 -0.887 0.000 0.994 1064 S CB 1.740 64.430 63.200 -0.850 0.000 1.012 1064 S HN 0.494 nan 8.310 nan 0.000 0.550 1065 V N 1.678 121.296 119.914 -0.493 0.000 2.427 1065 V HA -0.145 3.976 4.120 0.002 0.000 0.248 1065 V C 2.689 178.453 176.094 -0.551 0.000 1.051 1065 V CA 1.903 63.891 62.300 -0.521 0.000 1.048 1065 V CB -1.417 30.129 31.823 -0.461 0.000 0.666 1065 V HN 0.819 nan 8.190 nan 0.000 0.456 1066 Q N 0.424 120.019 119.800 -0.342 0.000 2.050 1066 Q HA -0.212 4.129 4.340 0.002 0.000 0.202 1066 Q C 2.212 178.133 176.000 -0.133 0.000 0.980 1066 Q CA 1.974 57.665 55.803 -0.188 0.000 0.840 1066 Q CB -0.362 28.300 28.738 -0.126 0.000 0.898 1066 Q HN 0.693 nan 8.270 nan 0.000 0.424 1067 E N -0.034 120.062 120.200 -0.172 0.000 2.058 1067 E HA -0.208 4.143 4.350 0.002 0.000 0.194 1067 E C 1.979 178.538 176.600 -0.068 0.000 0.997 1067 E CA 1.364 57.698 56.400 -0.109 0.000 0.801 1067 E CB -0.160 29.465 29.700 -0.125 0.000 0.746 1067 E HN 0.338 nan 8.360 nan 0.000 0.450 1068 M N -0.259 119.248 119.600 -0.156 0.000 2.065 1068 M HA -0.205 4.276 4.480 0.002 0.000 0.259 1068 M C 2.074 178.510 176.300 0.226 0.000 1.069 1068 M CA 1.732 56.972 55.300 -0.101 0.000 1.110 1068 M CB -0.397 31.977 32.600 -0.376 0.000 1.328 1068 M HN 0.253 nan 8.290 nan 0.000 0.405 1069 H N -0.910 118.185 119.070 0.041 0.000 2.387 1069 H HA -0.074 4.483 4.556 0.002 0.000 0.299 1069 H C 2.126 177.483 175.328 0.048 0.000 1.090 1069 H CA 0.771 56.854 56.048 0.059 0.000 1.332 1069 H CB -0.065 29.711 29.762 0.022 0.000 1.386 1069 H HN 0.475 nan 8.280 nan 0.000 0.516 1070 A N 1.072 123.979 122.820 0.145 0.000 2.019 1070 A HA -0.190 4.131 4.320 0.002 0.000 0.219 1070 A C 2.047 179.680 177.584 0.081 0.000 1.164 1070 A CA 1.313 53.401 52.037 0.085 0.000 0.644 1070 A CB -0.256 18.770 19.000 0.044 0.000 0.805 1070 A HN 0.490 nan 8.150 nan 0.000 0.449 1071 Q N -0.395 119.474 119.800 0.115 0.000 2.482 1071 Q HA 0.159 4.500 4.340 0.002 0.000 0.209 1071 Q C -0.151 175.892 176.000 0.072 0.000 0.961 1071 Q CA 0.003 55.867 55.803 0.103 0.000 0.945 1071 Q CB 0.079 28.911 28.738 0.158 0.000 1.012 1071 Q HN 0.546 nan 8.270 nan 0.000 0.515 1072 I N 2.085 122.701 120.570 0.077 0.000 2.416 1072 I HA 0.099 4.270 4.170 0.002 0.000 0.288 1072 I C 0.370 176.485 176.117 -0.004 0.000 1.051 1072 I CA -0.225 61.081 61.300 0.011 0.000 1.375 1072 I CB 0.687 38.688 38.000 0.002 0.000 1.407 1072 I HN -0.089 nan 8.210 nan 0.000 0.516 1073 K N 0.000 120.385 120.400 -0.025 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1073 K CA 0.000 56.274 56.287 -0.021 0.000 0.838 1073 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543