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 1jdb_1_B DATA FIRST_RESID 0 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 PLVVRXXXXX 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.230 176.300 -0.117 0.000 1.140 0 M CA 0.000 55.279 55.300 -0.035 0.000 0.988 0 M CB 0.000 32.601 32.600 0.001 0.000 1.302 1 P HA 0.125 nan 4.420 nan 0.000 0.286 1 P C -1.306 175.695 177.300 -0.499 0.000 1.293 1 P CA -0.042 62.887 63.100 -0.285 0.000 0.770 1 P CB -0.087 31.541 31.700 -0.120 0.000 1.206 2 K N 0.132 120.117 120.400 -0.691 0.000 2.494 2 K HA 0.006 4.324 4.320 -0.002 0.000 0.273 2 K C -0.073 176.448 176.600 -0.131 0.000 0.970 2 K CA 0.191 56.213 56.287 -0.442 0.000 0.963 2 K CB 0.240 32.666 32.500 -0.123 0.000 0.913 2 K HN 0.242 nan 8.250 nan 0.000 0.502 3 R N 1.324 121.838 120.500 0.022 0.000 2.298 3 R HA 0.019 4.358 4.340 -0.002 0.000 0.310 3 R C 0.914 177.268 176.300 0.090 0.000 1.068 3 R CA 0.196 56.332 56.100 0.059 0.000 0.957 3 R CB 0.751 31.096 30.300 0.075 0.000 1.003 3 R HN 0.908 nan 8.270 nan 0.000 0.454 4 T N -2.093 112.480 114.554 0.033 0.000 3.054 4 T HA -0.095 4.254 4.350 -0.002 0.000 0.259 4 T C 1.155 175.877 174.700 0.037 0.000 1.092 4 T CA 0.631 62.742 62.100 0.019 0.000 1.121 4 T CB 0.019 68.886 68.868 -0.003 0.000 0.912 4 T HN 0.620 nan 8.240 nan 0.000 0.489 5 D N 1.143 121.571 120.400 0.046 0.000 2.317 5 D HA 0.025 4.664 4.640 -0.002 0.000 0.211 5 D C 0.597 176.939 176.300 0.071 0.000 0.966 5 D CA 0.082 54.110 54.000 0.047 0.000 0.876 5 D CB -0.276 40.544 40.800 0.034 0.000 0.927 5 D HN 0.429 nan 8.370 nan 0.000 0.519 6 I N 0.597 121.237 120.570 0.116 0.000 2.355 6 I HA 0.188 4.357 4.170 -0.002 0.000 0.288 6 I C 0.892 177.157 176.117 0.247 0.000 0.999 6 I CA -0.552 60.844 61.300 0.160 0.000 1.163 6 I CB 1.770 39.862 38.000 0.153 0.000 1.316 6 I HN -0.240 nan 8.210 nan 0.000 0.454 7 K N 2.925 123.429 120.400 0.172 0.000 2.262 7 K HA 0.125 4.444 4.320 -0.002 0.000 0.200 7 K C 0.501 177.231 176.600 0.217 0.000 1.058 7 K CA 0.331 56.712 56.287 0.157 0.000 0.974 7 K CB 0.425 32.969 32.500 0.073 0.000 0.910 7 K HN 0.650 nan 8.250 nan 0.000 0.484 8 S N 0.399 116.194 115.700 0.160 0.000 2.600 8 S HA 0.686 5.155 4.470 -0.002 0.000 0.300 8 S C -0.503 174.153 174.600 0.094 0.000 1.087 8 S CA -0.947 57.333 58.200 0.133 0.000 0.965 8 S CB 1.570 64.824 63.200 0.090 0.000 1.089 8 S HN 0.072 nan 8.310 nan 0.000 0.496 9 I N 1.572 122.183 120.570 0.068 0.000 2.569 9 I HA 0.394 4.562 4.170 -0.002 0.000 0.290 9 I C -1.348 174.782 176.117 0.022 0.000 1.088 9 I CA -0.768 60.543 61.300 0.018 0.000 1.047 9 I CB 2.059 40.033 38.000 -0.043 0.000 1.237 9 I HN 0.640 nan 8.210 nan 0.000 0.421 10 L N 7.732 128.962 121.223 0.012 0.000 2.275 10 L HA 0.632 4.971 4.340 -0.002 0.000 0.288 10 L C -0.981 175.893 176.870 0.008 0.000 1.046 10 L CA 0.166 55.014 54.840 0.013 0.000 0.805 10 L CB 0.752 42.810 42.059 -0.002 0.000 1.193 10 L HN 0.434 nan 8.230 nan 0.000 0.426 11 I N 6.194 126.774 120.570 0.017 0.000 2.362 11 I HA 0.285 4.453 4.170 -0.002 0.000 0.289 11 I C -0.561 175.565 176.117 0.016 0.000 0.994 11 I CA -0.576 60.731 61.300 0.012 0.000 1.158 11 I CB 1.448 39.457 38.000 0.016 0.000 1.315 11 I HN 0.484 nan 8.210 nan 0.000 0.451 12 L N 6.373 127.599 121.223 0.005 0.000 2.325 12 L HA 0.371 4.710 4.340 -0.002 0.000 0.284 12 L C 1.051 177.918 176.870 -0.004 0.000 1.089 12 L CA -0.306 54.533 54.840 -0.001 0.000 0.836 12 L CB 0.369 42.421 42.059 -0.012 0.000 1.184 12 L HN 0.685 nan 8.230 nan 0.000 0.444 13 G N 1.874 110.678 108.800 0.007 0.000 2.634 13 G HA2 0.335 4.294 3.960 -0.002 0.000 0.255 13 G HA3 0.335 4.294 3.960 -0.002 0.000 0.255 13 G C 0.789 175.676 174.900 -0.021 0.000 1.205 13 G CA 0.181 45.289 45.100 0.014 0.000 0.884 13 G HN 0.789 nan 8.290 nan 0.000 0.549 14 A N -0.808 122.005 122.820 -0.012 0.000 2.081 14 A HA 0.563 4.882 4.320 -0.002 0.000 0.214 14 A C 1.629 179.194 177.584 -0.032 0.000 1.158 14 A CA 1.572 53.564 52.037 -0.076 0.000 0.724 14 A CB -0.753 18.219 19.000 -0.046 0.000 0.826 14 A HN 2.531 nan 8.150 nan 0.000 0.463 15 G N -0.782 108.022 108.800 0.007 0.000 2.508 15 G HA2 -0.090 3.869 3.960 -0.002 0.000 0.220 15 G HA3 -0.090 3.869 3.960 -0.002 0.000 0.220 15 G C -3.013 171.898 174.900 0.018 0.000 1.287 15 G CA -0.367 44.737 45.100 0.007 0.000 0.916 15 G HN 0.369 nan 8.290 nan 0.000 0.574 16 P HA 0.431 nan 4.420 nan 0.000 0.271 16 P C 0.258 177.566 177.300 0.012 0.000 1.218 16 P CA -0.304 62.796 63.100 -0.001 0.000 0.780 16 P CB 0.430 32.118 31.700 -0.020 0.000 0.901 17 I N 2.888 123.465 120.570 0.012 0.000 2.598 17 I HA 0.077 4.246 4.170 -0.002 0.000 0.284 17 I C 0.906 177.023 176.117 -0.000 0.000 1.140 17 I CA 0.101 61.414 61.300 0.022 0.000 1.420 17 I CB -0.138 37.872 38.000 0.017 0.000 1.387 17 I HN 0.202 nan 8.210 nan 0.000 0.553 18 V N 5.075 124.992 119.914 0.004 0.000 3.159 18 V HA 0.556 4.675 4.120 -0.002 0.000 0.308 18 V C -0.120 175.954 176.094 -0.033 0.000 1.190 18 V CA -1.166 61.118 62.300 -0.027 0.000 1.037 18 V CB 2.092 33.891 31.823 -0.040 0.000 1.060 18 V HN 0.442 nan 8.190 nan 0.000 0.437 19 I N 2.772 123.297 120.570 -0.076 0.000 2.668 19 I HA 0.418 4.587 4.170 -0.002 0.000 0.285 19 I C 1.557 177.619 176.117 -0.092 0.000 1.168 19 I CA 1.921 63.163 61.300 -0.097 0.000 1.424 19 I CB 0.539 38.441 38.000 -0.164 0.000 1.377 19 I HN 1.293 nan 8.210 nan 0.000 0.560 20 G N 4.892 113.649 108.800 -0.071 0.000 2.241 20 G HA2 -0.282 3.676 3.960 -0.002 0.000 0.244 20 G HA3 -0.282 3.676 3.960 -0.002 0.000 0.244 20 G C 0.285 175.216 174.900 0.052 0.000 0.998 20 G CA 0.105 45.170 45.100 -0.058 0.000 0.621 20 G HN 0.616 nan 8.290 nan 0.000 0.519 21 Q N 0.058 119.914 119.800 0.093 0.000 3.412 21 Q HA 0.678 5.017 4.340 -0.002 0.000 0.219 21 Q C 0.139 176.277 176.000 0.228 0.000 0.913 21 Q CA 0.420 56.377 55.803 0.255 0.000 0.722 21 Q CB 0.629 29.448 28.738 0.134 0.000 1.385 21 Q HN 0.887 nan 8.270 nan 0.000 0.461 22 A N 0.321 123.250 122.820 0.182 0.000 3.791 22 A HA 0.377 4.695 4.320 -0.002 0.000 0.159 22 A C 1.085 178.708 177.584 0.064 0.000 1.359 22 A CA -0.160 51.928 52.037 0.085 0.000 0.899 22 A CB -0.319 18.683 19.000 0.003 0.000 1.642 22 A HN 0.806 nan 8.150 nan 0.000 0.612 23 C N 1.165 120.468 119.300 0.006 0.000 2.401 23 C HA -0.098 4.361 4.460 -0.002 0.000 0.286 23 C C 2.519 177.492 174.990 -0.029 0.000 1.332 23 C CA 1.075 60.099 59.018 0.011 0.000 1.795 23 C CB -1.507 26.236 27.740 0.005 0.000 1.922 23 C HN 0.853 nan 8.230 nan 0.000 0.520 24 E N 1.464 121.548 120.200 -0.193 0.000 2.171 24 E HA -0.237 4.112 4.350 -0.002 0.000 0.197 24 E C 1.441 177.838 176.600 -0.337 0.000 0.997 24 E CA 1.670 57.874 56.400 -0.325 0.000 0.810 24 E CB -0.752 28.595 29.700 -0.589 0.000 0.738 24 E HN 0.644 nan 8.360 nan 0.000 0.467 25 F N 1.536 121.550 119.950 0.106 0.000 2.456 25 F HA 0.063 4.589 4.527 -0.002 0.000 0.298 25 F C 2.112 177.953 175.800 0.069 0.000 1.104 25 F CA 0.910 58.955 58.000 0.074 0.000 1.435 25 F CB -0.350 38.677 39.000 0.045 0.000 1.078 25 F HN 0.053 nan 8.300 nan 0.000 0.546 26 D N -0.869 119.646 120.400 0.191 0.000 2.162 26 D HA -0.211 4.427 4.640 -0.002 0.000 0.205 26 D C 2.208 178.589 176.300 0.135 0.000 0.964 26 D CA 0.899 54.988 54.000 0.149 0.000 0.847 26 D CB -0.365 40.515 40.800 0.132 0.000 0.988 26 D HN 0.219 nan 8.370 nan 0.000 0.480 27 Y N 1.267 121.574 120.300 0.012 0.000 2.053 27 Y HA -0.232 4.316 4.550 -0.002 0.000 0.277 27 Y C 2.345 178.249 175.900 0.008 0.000 1.159 27 Y CA 2.327 60.421 58.100 -0.009 0.000 1.125 27 Y CB -0.783 37.653 38.460 -0.039 0.000 0.969 27 Y HN -0.055 nan 8.280 nan 0.000 0.492 28 S N 0.209 115.809 115.700 -0.168 0.000 2.356 28 S HA -0.125 4.344 4.470 -0.002 0.000 0.223 28 S C 2.251 176.801 174.600 -0.084 0.000 1.032 28 S CA 1.187 59.264 58.200 -0.206 0.000 1.005 28 S CB -1.212 62.006 63.200 0.031 0.000 0.867 28 S HN 0.748 nan 8.310 nan 0.000 0.449 29 G N 1.438 110.255 108.800 0.029 0.000 2.418 29 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.217 29 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.217 29 G C 1.577 176.474 174.900 -0.005 0.000 1.158 29 G CA 0.943 46.065 45.100 0.037 0.000 0.771 29 G HN 0.577 nan 8.290 nan 0.000 0.545 30 A N 0.297 123.107 122.820 -0.017 0.000 1.908 30 A HA -0.115 4.204 4.320 -0.002 0.000 0.218 30 A C 2.334 179.874 177.584 -0.072 0.000 1.181 30 A CA 1.995 54.016 52.037 -0.027 0.000 0.627 30 A CB -0.435 18.563 19.000 -0.004 0.000 0.818 30 A HN 0.468 nan 8.150 nan 0.000 0.445 31 Q N -0.856 118.851 119.800 -0.155 0.000 2.050 31 Q HA -0.102 4.237 4.340 -0.002 0.000 0.202 31 Q C 2.486 178.426 176.000 -0.099 0.000 0.980 31 Q CA 1.343 57.038 55.803 -0.179 0.000 0.840 31 Q CB -0.371 28.174 28.738 -0.322 0.000 0.898 31 Q HN 0.690 nan 8.270 nan 0.000 0.424 32 A N 0.313 123.088 122.820 -0.074 0.000 1.902 32 A HA -0.203 4.115 4.320 -0.002 0.000 0.217 32 A C 2.350 179.922 177.584 -0.019 0.000 1.181 32 A CA 1.358 53.373 52.037 -0.036 0.000 0.623 32 A CB -0.974 18.015 19.000 -0.019 0.000 0.818 32 A HN 0.488 nan 8.150 nan 0.000 0.443 33 C N -0.786 118.506 119.300 -0.012 0.000 2.442 33 C HA -0.092 4.366 4.460 -0.002 0.000 0.279 33 C C 2.701 177.696 174.990 0.009 0.000 1.237 33 C CA 1.397 60.419 59.018 0.006 0.000 1.722 33 C CB -1.037 26.709 27.740 0.011 0.000 2.056 33 C HN 0.760 nan 8.230 nan 0.000 0.469 34 K N 1.152 121.547 120.400 -0.008 0.000 2.034 34 K HA -0.231 4.088 4.320 -0.002 0.000 0.214 34 K C 2.084 178.686 176.600 0.002 0.000 1.051 34 K CA 2.047 58.330 56.287 -0.008 0.000 0.931 34 K CB -0.401 32.080 32.500 -0.032 0.000 0.715 34 K HN 0.416 nan 8.250 nan 0.000 0.446 35 A N 0.910 123.725 122.820 -0.008 0.000 1.908 35 A HA -0.128 4.191 4.320 -0.002 0.000 0.218 35 A C 2.121 179.734 177.584 0.048 0.000 1.181 35 A CA 1.590 53.627 52.037 -0.000 0.000 0.627 35 A CB -0.565 18.422 19.000 -0.021 0.000 0.818 35 A HN 0.366 nan 8.150 nan 0.000 0.445 36 L N -1.674 119.585 121.223 0.059 0.000 2.240 36 L HA 0.013 4.352 4.340 -0.002 0.000 0.211 36 L C 2.666 179.662 176.870 0.210 0.000 1.106 36 L CA 0.950 55.868 54.840 0.131 0.000 0.793 36 L CB -0.358 41.717 42.059 0.027 0.000 0.927 36 L HN 0.392 nan 8.230 nan 0.000 0.446 37 R N 0.640 121.211 120.500 0.118 0.000 2.090 37 R HA -0.127 4.211 4.340 -0.002 0.000 0.228 37 R C 2.007 178.358 176.300 0.085 0.000 1.110 37 R CA 1.127 57.287 56.100 0.099 0.000 0.973 37 R CB 0.071 30.404 30.300 0.056 0.000 0.869 37 R HN 0.369 nan 8.270 nan 0.000 0.440 38 E N 0.061 120.304 120.200 0.071 0.000 2.204 38 E HA -0.149 4.200 4.350 -0.002 0.000 0.195 38 E C 1.015 177.657 176.600 0.070 0.000 0.990 38 E CA 0.784 57.214 56.400 0.050 0.000 0.821 38 E CB 0.185 29.901 29.700 0.027 0.000 0.750 38 E HN 0.302 nan 8.360 nan 0.000 0.477 39 E N -0.445 119.839 120.200 0.139 0.000 2.476 39 E HA 0.038 4.387 4.350 -0.002 0.000 0.191 39 E C 0.908 177.526 176.600 0.030 0.000 1.064 39 E CA 0.469 56.981 56.400 0.186 0.000 0.866 39 E CB 0.705 30.677 29.700 0.454 0.000 0.952 39 E HN 0.359 nan 8.360 nan 0.000 0.492 40 G N 1.211 110.021 108.800 0.016 0.000 2.147 40 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.244 40 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.244 40 G C -0.190 174.621 174.900 -0.148 0.000 1.005 40 G CA 0.183 45.232 45.100 -0.085 0.000 0.713 40 G HN 0.245 nan 8.290 nan 0.000 0.515 41 Y N -0.481 119.844 120.300 0.041 0.000 2.335 41 Y HA 0.585 5.134 4.550 -0.002 0.000 0.323 41 Y C 1.196 177.114 175.900 0.030 0.000 1.224 41 Y CA -0.851 57.272 58.100 0.038 0.000 1.241 41 Y CB 0.820 39.308 38.460 0.046 0.000 1.235 41 Y HN 0.107 nan 8.280 nan 0.000 0.492 42 R N 1.662 122.292 120.500 0.216 0.000 2.267 42 R HA 0.414 4.753 4.340 -0.002 0.000 0.319 42 R C -1.553 174.818 176.300 0.118 0.000 1.067 42 R CA -0.249 55.926 56.100 0.126 0.000 0.936 42 R CB 0.266 30.622 30.300 0.093 0.000 1.006 42 R HN 0.479 nan 8.270 nan 0.000 0.452 43 V N 7.218 127.185 119.914 0.088 0.000 2.370 43 V HA 0.396 4.515 4.120 -0.002 0.000 0.283 43 V C -0.025 176.106 176.094 0.061 0.000 1.023 43 V CA -0.591 61.751 62.300 0.070 0.000 0.857 43 V CB 1.522 33.382 31.823 0.061 0.000 0.985 43 V HN 0.621 nan 8.190 nan 0.000 0.443 44 I N 6.635 127.245 120.570 0.067 0.000 2.509 44 I HA 0.776 4.945 4.170 -0.002 0.000 0.293 44 I C -0.641 175.528 176.117 0.086 0.000 1.020 44 I CA -0.735 60.622 61.300 0.095 0.000 1.088 44 I CB 1.842 39.907 38.000 0.107 0.000 1.267 44 I HN 0.584 nan 8.210 nan 0.000 0.430 45 L N 4.224 125.520 121.223 0.121 0.000 2.622 45 L HA 0.862 5.201 4.340 -0.002 0.000 0.258 45 L C -1.623 175.333 176.870 0.142 0.000 0.996 45 L CA -0.906 53.990 54.840 0.093 0.000 0.858 45 L CB 2.052 44.145 42.059 0.058 0.000 1.449 45 L HN 0.363 nan 8.230 nan 0.000 0.411 46 V N 2.126 122.097 119.914 0.096 0.000 2.487 46 V HA 0.716 4.835 4.120 -0.002 0.000 0.298 46 V C -1.424 174.704 176.094 0.057 0.000 1.028 46 V CA 0.030 62.389 62.300 0.097 0.000 0.860 46 V CB 1.585 33.440 31.823 0.052 0.000 0.991 46 V HN 0.910 nan 8.190 nan 0.000 0.427 47 N N 3.345 122.078 118.700 0.054 0.000 2.599 47 N HA 0.204 4.942 4.740 -0.002 0.000 0.283 47 N C 0.674 176.200 175.510 0.027 0.000 1.160 47 N CA 0.331 53.403 53.050 0.037 0.000 0.869 47 N CB 2.340 40.852 38.487 0.042 0.000 1.448 47 N HN 0.684 nan 8.380 nan 0.000 0.535 48 S N 1.819 117.529 115.700 0.017 0.000 2.447 48 S HA -0.092 4.377 4.470 -0.002 0.000 0.233 48 S C 0.838 175.442 174.600 0.006 0.000 1.006 48 S CA 0.405 58.609 58.200 0.006 0.000 0.957 48 S CB -0.210 62.986 63.200 -0.007 0.000 0.773 48 S HN 0.570 nan 8.310 nan 0.000 0.507 49 N N 3.691 122.397 118.700 0.010 0.000 2.399 49 N HA 0.198 4.937 4.740 -0.002 0.000 0.259 49 N C -1.696 173.816 175.510 0.004 0.000 1.160 49 N CA -2.264 50.790 53.050 0.006 0.000 0.946 49 N CB 1.150 39.647 38.487 0.018 0.000 1.156 49 N HN 0.105 nan 8.380 nan 0.000 0.489 50 P HA -0.006 nan 4.420 nan 0.000 0.229 50 P C 0.138 177.360 177.300 -0.130 0.000 1.160 50 P CA 0.549 63.632 63.100 -0.029 0.000 0.777 50 P CB 0.141 31.859 31.700 0.029 0.000 0.814 51 A N 0.351 123.085 122.820 -0.144 0.000 2.543 51 A HA 0.280 4.599 4.320 -0.002 0.000 0.258 51 A C 0.580 178.123 177.584 -0.068 0.000 1.391 51 A CA 0.067 51.937 52.037 -0.278 0.000 1.066 51 A CB -1.400 17.454 19.000 -0.244 0.000 0.972 51 A HN 0.286 nan 8.150 nan 0.000 0.560 52 T N -3.285 111.302 114.554 0.055 0.000 2.885 52 T HA 0.549 4.898 4.350 -0.002 0.000 0.285 52 T C 0.848 175.743 174.700 0.325 0.000 1.019 52 T CA -0.720 61.491 62.100 0.186 0.000 1.010 52 T CB 1.096 70.031 68.868 0.111 0.000 1.022 52 T HN -0.046 nan 8.240 nan 0.000 0.466 53 I N 1.869 122.583 120.570 0.239 0.000 2.500 53 I HA -0.050 4.119 4.170 -0.002 0.000 0.252 53 I C 2.345 178.535 176.117 0.122 0.000 1.142 53 I CA 1.297 62.685 61.300 0.147 0.000 1.451 53 I CB -0.877 37.161 38.000 0.063 0.000 1.093 53 I HN 0.862 nan 8.210 nan 0.000 0.430 54 M N 0.707 120.371 119.600 0.106 0.000 2.632 54 M HA -0.101 4.378 4.480 -0.002 0.000 0.256 54 M C 1.348 177.690 176.300 0.070 0.000 1.080 54 M CA 1.675 57.019 55.300 0.074 0.000 1.084 54 M CB -0.483 32.157 32.600 0.067 0.000 1.439 54 M HN 0.243 nan 8.290 nan 0.000 0.509 55 T N -3.342 111.269 114.554 0.095 0.000 3.092 55 T HA 0.206 4.555 4.350 -0.002 0.000 0.258 55 T C -0.097 174.648 174.700 0.076 0.000 1.031 55 T CA -0.560 61.577 62.100 0.062 0.000 0.925 55 T CB -0.291 68.603 68.868 0.044 0.000 1.036 55 T HN 0.202 nan 8.240 nan 0.000 0.544 56 D N 3.887 124.362 120.400 0.125 0.000 2.455 56 D HA 0.169 4.808 4.640 -0.002 0.000 0.241 56 D C -1.226 175.114 176.300 0.067 0.000 1.138 56 D CA -1.956 52.130 54.000 0.144 0.000 0.877 56 D CB 1.562 42.459 40.800 0.161 0.000 1.187 56 D HN 0.083 nan 8.370 nan 0.000 0.451 57 P HA -0.187 nan 4.420 nan 0.000 0.217 57 P C 0.894 178.204 177.300 0.017 0.000 1.151 57 P CA 1.116 64.227 63.100 0.018 0.000 0.849 57 P CB 0.424 32.175 31.700 0.086 0.000 0.787 58 E N -1.631 118.586 120.200 0.029 0.000 2.511 58 E HA 0.027 4.376 4.350 -0.002 0.000 0.196 58 E C 1.629 178.235 176.600 0.011 0.000 1.066 58 E CA 0.456 56.866 56.400 0.015 0.000 0.871 58 E CB -0.653 29.050 29.700 0.006 0.000 0.863 58 E HN 0.167 nan 8.360 nan 0.000 0.520 59 M N -1.030 118.580 119.600 0.015 0.000 2.509 59 M HA 0.325 4.803 4.480 -0.002 0.000 0.250 59 M C 0.440 176.750 176.300 0.016 0.000 1.132 59 M CA 0.058 55.368 55.300 0.016 0.000 1.080 59 M CB -0.026 32.588 32.600 0.024 0.000 1.408 59 M HN -0.020 nan 8.290 nan 0.000 0.484 60 A N -0.426 122.400 122.820 0.010 0.000 2.599 60 A HA 0.468 4.787 4.320 -0.002 0.000 0.290 60 A C -0.142 177.443 177.584 0.001 0.000 1.101 60 A CA -0.651 51.394 52.037 0.013 0.000 0.674 60 A CB 0.666 19.675 19.000 0.016 0.000 1.277 60 A HN 0.158 nan 8.150 nan 0.000 0.419 61 D N 0.207 120.613 120.400 0.010 0.000 2.120 61 D HA 0.221 4.860 4.640 -0.002 0.000 0.202 61 D C 0.817 177.102 176.300 -0.025 0.000 0.972 61 D CA 1.928 55.930 54.000 0.004 0.000 0.837 61 D CB 0.174 40.991 40.800 0.027 0.000 0.989 61 D HN 0.776 nan 8.370 nan 0.000 0.469 62 A N 0.928 123.734 122.820 -0.023 0.000 2.457 62 A HA 0.477 4.796 4.320 -0.002 0.000 0.283 62 A C -0.681 176.824 177.584 -0.132 0.000 1.166 62 A CA -0.548 51.435 52.037 -0.089 0.000 0.740 62 A CB 1.151 20.188 19.000 0.062 0.000 1.181 62 A HN -0.125 nan 8.150 nan 0.000 0.446 63 T N 2.606 116.980 114.554 -0.299 0.000 2.756 63 T HA 0.472 4.821 4.350 -0.002 0.000 0.290 63 T C -1.048 173.338 174.700 -0.524 0.000 0.985 63 T CA 0.173 62.119 62.100 -0.258 0.000 0.955 63 T CB 0.059 68.829 68.868 -0.163 0.000 0.930 63 T HN 0.393 nan 8.240 nan 0.000 0.451 64 Y N 2.792 123.055 120.300 -0.061 0.000 2.434 64 Y HA 0.431 4.980 4.550 -0.002 0.000 0.341 64 Y C 0.609 176.471 175.900 -0.062 0.000 0.965 64 Y CA -1.083 56.974 58.100 -0.071 0.000 1.205 64 Y CB 0.340 38.762 38.460 -0.065 0.000 1.121 64 Y HN 0.565 nan 8.280 nan 0.000 0.507 65 I N 4.888 125.459 120.570 0.001 0.000 2.243 65 I HA 0.202 4.371 4.170 -0.002 0.000 0.289 65 I C -0.253 175.874 176.117 0.017 0.000 1.140 65 I CA 0.022 61.321 61.300 -0.001 0.000 1.289 65 I CB -0.176 37.800 38.000 -0.040 0.000 1.498 65 I HN 0.530 nan 8.210 nan 0.000 0.561 66 E N 5.140 125.366 120.200 0.043 0.000 2.416 66 E HA 0.482 4.831 4.350 -0.002 0.000 0.273 66 E C -2.609 173.990 176.600 -0.003 0.000 0.935 66 E CA -2.139 54.271 56.400 0.017 0.000 0.784 66 E CB 1.883 31.604 29.700 0.034 0.000 1.301 66 E HN -0.003 nan 8.360 nan 0.000 0.454 67 P HA 0.118 nan 4.420 nan 0.000 0.265 67 P C 0.047 177.355 177.300 0.012 0.000 1.193 67 P CA 0.304 63.392 63.100 -0.020 0.000 0.765 67 P CB 0.229 31.901 31.700 -0.046 0.000 0.823 68 I N 3.406 123.991 120.570 0.025 0.000 2.270 68 I HA 0.090 4.259 4.170 -0.002 0.000 0.294 68 I C 0.961 177.119 176.117 0.069 0.000 1.164 68 I CA 0.219 61.538 61.300 0.032 0.000 1.680 68 I CB -0.912 37.094 38.000 0.010 0.000 1.494 68 I HN 0.365 nan 8.210 nan 0.000 0.767 69 H N 5.289 124.341 119.070 -0.030 0.000 2.538 69 H HA 0.063 4.618 4.556 -0.002 0.000 0.353 69 H C 0.531 175.848 175.328 -0.019 0.000 1.109 69 H CA -0.829 55.207 56.048 -0.021 0.000 1.192 69 H CB 1.738 31.435 29.762 -0.108 0.000 1.555 69 H HN 0.584 nan 8.280 nan 0.000 0.518 70 W N 5.116 126.215 121.300 -0.335 0.000 2.325 70 W HA -0.148 4.511 4.660 -0.002 0.000 0.299 70 W C 0.493 177.032 176.519 0.033 0.000 1.215 70 W CA 1.164 58.425 57.345 -0.139 0.000 1.244 70 W CB -0.446 28.903 29.460 -0.186 0.000 1.140 70 W HN 0.647 nan 8.180 nan 0.000 0.523 71 E N 0.782 120.527 120.200 -0.759 0.000 2.150 71 E HA -0.147 4.202 4.350 -0.002 0.000 0.193 71 E C 2.393 178.806 176.600 -0.311 0.000 0.985 71 E CA 1.672 57.599 56.400 -0.789 0.000 0.814 71 E CB -0.179 29.057 29.700 -0.774 0.000 0.752 71 E HN 0.161 nan 8.360 nan 0.000 0.466 72 V N 0.854 120.681 119.914 -0.144 0.000 2.379 72 V HA -0.196 3.922 4.120 -0.002 0.000 0.245 72 V C 2.328 178.334 176.094 -0.147 0.000 1.044 72 V CA 1.106 63.323 62.300 -0.139 0.000 1.036 72 V CB -0.241 31.529 31.823 -0.090 0.000 0.664 72 V HN 0.114 nan 8.190 nan 0.000 0.453 73 V N 0.220 120.077 119.914 -0.094 0.000 2.295 73 V HA -0.283 3.835 4.120 -0.002 0.000 0.246 73 V C 2.552 178.566 176.094 -0.135 0.000 1.049 73 V CA 2.383 64.621 62.300 -0.102 0.000 1.024 73 V CB -0.875 30.934 31.823 -0.023 0.000 0.648 73 V HN 0.494 nan 8.190 nan 0.000 0.447 74 R N 0.469 120.925 120.500 -0.074 0.000 2.119 74 R HA -0.230 4.109 4.340 -0.002 0.000 0.246 74 R C 2.285 178.471 176.300 -0.190 0.000 1.146 74 R CA 1.754 57.815 56.100 -0.065 0.000 0.962 74 R CB -0.171 30.147 30.300 0.031 0.000 0.863 74 R HN 0.429 nan 8.270 nan 0.000 0.442 75 K N 0.020 120.300 120.400 -0.201 0.000 2.283 75 K HA -0.090 4.229 4.320 -0.002 0.000 0.202 75 K C 2.031 178.446 176.600 -0.307 0.000 1.048 75 K CA 0.942 57.094 56.287 -0.226 0.000 0.948 75 K CB -0.000 32.390 32.500 -0.182 0.000 0.742 75 K HN 0.364 nan 8.250 nan 0.000 0.458 76 I N 0.706 121.056 120.570 -0.367 0.000 2.480 76 I HA -0.175 3.994 4.170 -0.002 0.000 0.251 76 I C 2.239 178.122 176.117 -0.389 0.000 1.124 76 I CA 0.623 61.618 61.300 -0.508 0.000 1.444 76 I CB -0.094 37.529 38.000 -0.629 0.000 1.098 76 I HN 0.003 nan 8.210 nan 0.000 0.428 77 I N 0.635 120.988 120.570 -0.362 0.000 2.099 77 I HA -0.336 3.833 4.170 -0.002 0.000 0.239 77 I C 2.586 178.333 176.117 -0.618 0.000 1.066 77 I CA 1.620 62.680 61.300 -0.401 0.000 1.324 77 I CB -0.495 37.303 38.000 -0.338 0.000 1.037 77 I HN 0.285 nan 8.210 nan 0.000 0.401 78 E N 1.246 120.910 120.200 -0.893 0.000 2.086 78 E HA -0.359 3.990 4.350 -0.002 0.000 0.205 78 E C 2.200 178.563 176.600 -0.394 0.000 1.027 78 E CA 2.261 58.098 56.400 -0.939 0.000 0.830 78 E CB -0.056 29.342 29.700 -0.504 0.000 0.751 78 E HN 0.337 nan 8.360 nan 0.000 0.456 79 K N -0.201 120.028 120.400 -0.285 0.000 2.062 79 K HA -0.125 4.193 4.320 -0.002 0.000 0.205 79 K C 1.921 178.461 176.600 -0.101 0.000 1.051 79 K CA 1.400 57.597 56.287 -0.150 0.000 0.941 79 K CB 0.175 32.593 32.500 -0.137 0.000 0.719 79 K HN 0.019 nan 8.250 nan 0.000 0.440 80 E N 0.475 120.596 120.200 -0.130 0.000 2.340 80 E HA 0.015 4.363 4.350 -0.002 0.000 0.194 80 E C -0.339 176.235 176.600 -0.044 0.000 0.996 80 E CA 0.117 56.486 56.400 -0.052 0.000 0.869 80 E CB 0.357 30.041 29.700 -0.028 0.000 0.835 80 E HN 0.171 nan 8.360 nan 0.000 0.493 81 R N 0.715 121.155 120.500 -0.099 0.000 2.877 81 R HA -0.123 4.216 4.340 -0.002 0.000 0.275 81 R C -2.544 173.758 176.300 0.003 0.000 0.924 81 R CA 0.242 56.319 56.100 -0.038 0.000 0.715 81 R CB -2.272 28.041 30.300 0.022 0.000 1.761 81 R HN 0.181 nan 8.270 nan 0.000 0.498 82 P HA 0.231 nan 4.420 nan 0.000 0.288 82 P C 0.367 177.693 177.300 0.043 0.000 1.267 82 P CA -0.477 62.635 63.100 0.021 0.000 0.815 82 P CB 0.861 32.564 31.700 0.005 0.000 0.989 83 D N 0.745 121.176 120.400 0.052 0.000 2.149 83 D HA 0.032 4.671 4.640 -0.002 0.000 0.201 83 D C 0.743 177.070 176.300 0.045 0.000 0.972 83 D CA 1.387 55.421 54.000 0.057 0.000 0.835 83 D CB 0.340 41.181 40.800 0.069 0.000 0.966 83 D HN 0.447 nan 8.370 nan 0.000 0.476 84 A N -0.277 122.562 122.820 0.033 0.000 2.569 84 A HA 0.593 4.912 4.320 -0.002 0.000 0.290 84 A C -1.454 176.135 177.584 0.008 0.000 1.136 84 A CA -0.572 51.475 52.037 0.017 0.000 0.710 84 A CB 2.370 21.370 19.000 -0.001 0.000 1.303 84 A HN -0.058 nan 8.150 nan 0.000 0.413 85 V N 0.987 120.903 119.914 0.005 0.000 2.638 85 V HA 0.676 4.795 4.120 -0.002 0.000 0.306 85 V C -1.712 174.379 176.094 -0.004 0.000 1.052 85 V CA -0.633 61.668 62.300 0.002 0.000 0.885 85 V CB 1.485 33.313 31.823 0.008 0.000 0.999 85 V HN 1.108 nan 8.190 nan 0.000 0.424 86 L N 10.159 131.376 121.223 -0.008 0.000 2.283 86 L HA 0.719 5.058 4.340 -0.002 0.000 0.281 86 L C -2.047 174.821 176.870 -0.004 0.000 1.033 86 L CA -1.367 53.468 54.840 -0.009 0.000 0.848 86 L CB 1.699 43.746 42.059 -0.018 0.000 1.226 86 L HN 0.536 nan 8.230 nan 0.000 0.429 87 P HA 0.116 nan 4.420 nan 0.000 0.261 87 P C 0.438 177.730 177.300 -0.014 0.000 1.352 87 P CA 0.179 63.274 63.100 -0.007 0.000 0.891 87 P CB 0.141 31.841 31.700 -0.000 0.000 1.383 88 T N -5.252 109.301 114.554 -0.003 0.000 3.069 88 T HA 0.224 4.573 4.350 -0.002 0.000 0.252 88 T C 1.207 175.923 174.700 0.026 0.000 1.053 88 T CA -0.021 62.082 62.100 0.006 0.000 0.964 88 T CB -0.322 68.559 68.868 0.021 0.000 1.005 88 T HN -0.168 nan 8.240 nan 0.000 0.532 89 M N 1.510 121.123 119.600 0.021 0.000 2.404 89 M HA 0.413 4.891 4.480 -0.002 0.000 0.271 89 M C 1.190 177.515 176.300 0.043 0.000 1.128 89 M CA -0.053 55.289 55.300 0.070 0.000 0.982 89 M CB 0.414 33.047 32.600 0.055 0.000 1.445 89 M HN 0.451 nan 8.290 nan 0.000 0.495 90 G N -0.181 108.546 108.800 -0.122 0.000 4.716 90 G HA2 0.490 4.449 3.960 -0.002 0.000 0.282 90 G HA3 0.490 4.449 3.960 -0.002 0.000 0.282 90 G C 0.697 175.191 174.900 -0.676 0.000 1.173 90 G CA 0.085 45.013 45.100 -0.287 0.000 0.913 90 G HN 0.570 nan 8.290 nan 0.000 0.566 91 G N 0.809 108.913 108.800 -1.159 0.000 2.575 91 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.267 91 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.267 91 G C 0.944 175.593 174.900 -0.418 0.000 1.264 91 G CA 0.770 45.207 45.100 -1.106 0.000 0.935 91 G HN 0.680 nan 8.290 nan 0.000 0.568 92 Q N -1.139 118.495 119.800 -0.277 0.000 2.172 92 Q HA 0.066 4.404 4.340 -0.002 0.000 0.200 92 Q C 2.850 178.795 176.000 -0.092 0.000 0.964 92 Q CA 2.686 58.415 55.803 -0.123 0.000 0.855 92 Q CB -0.554 28.147 28.738 -0.062 0.000 0.918 92 Q HN 0.703 nan 8.270 nan 0.000 0.444 93 T N 0.088 114.565 114.554 -0.129 0.000 2.684 93 T HA -0.200 4.149 4.350 -0.002 0.000 0.267 93 T C 1.664 176.320 174.700 -0.075 0.000 1.036 93 T CA 1.497 63.545 62.100 -0.086 0.000 1.148 93 T CB -0.522 68.291 68.868 -0.092 0.000 0.863 93 T HN 0.475 nan 8.240 nan 0.000 0.436 94 A N 0.839 123.592 122.820 -0.111 0.000 1.929 94 A HA 0.114 4.433 4.320 -0.002 0.000 0.216 94 A C 2.311 179.871 177.584 -0.039 0.000 1.176 94 A CA 0.890 52.883 52.037 -0.073 0.000 0.628 94 A CB -0.664 18.284 19.000 -0.087 0.000 0.816 94 A HN 0.462 nan 8.150 nan 0.000 0.444 95 L N -0.335 120.865 121.223 -0.039 0.000 2.017 95 L HA -0.202 4.137 4.340 -0.002 0.000 0.208 95 L C 2.276 179.181 176.870 0.059 0.000 1.073 95 L CA 1.405 56.254 54.840 0.015 0.000 0.745 95 L CB -0.755 41.317 42.059 0.023 0.000 0.894 95 L HN 0.346 nan 8.230 nan 0.000 0.432 96 N N -0.498 118.234 118.700 0.054 0.000 2.120 96 N HA -0.189 4.550 4.740 -0.002 0.000 0.188 96 N C 1.887 177.383 175.510 -0.025 0.000 1.024 96 N CA 1.374 54.443 53.050 0.032 0.000 0.852 96 N CB -0.787 37.714 38.487 0.024 0.000 1.003 96 N HN 0.331 nan 8.380 nan 0.000 0.424 97 C N 0.796 120.085 119.300 -0.018 0.000 2.432 97 C HA 0.082 4.541 4.460 -0.002 0.000 0.277 97 C C 2.753 177.738 174.990 -0.008 0.000 1.249 97 C CA 1.069 60.080 59.018 -0.012 0.000 1.725 97 C CB -1.242 26.498 27.740 -0.000 0.000 2.028 97 C HN 0.481 nan 8.230 nan 0.000 0.477 98 A N 0.039 122.857 122.820 -0.003 0.000 1.908 98 A HA -0.113 4.205 4.320 -0.002 0.000 0.218 98 A C 1.912 179.487 177.584 -0.015 0.000 1.181 98 A CA 1.785 53.822 52.037 0.001 0.000 0.627 98 A CB -0.664 18.342 19.000 0.009 0.000 0.818 98 A HN 0.539 nan 8.150 nan 0.000 0.445 99 L N -0.536 120.674 121.223 -0.021 0.000 2.291 99 L HA -0.047 4.292 4.340 -0.002 0.000 0.214 99 L C 2.365 179.158 176.870 -0.129 0.000 1.120 99 L CA 1.474 56.281 54.840 -0.056 0.000 0.799 99 L CB -0.557 41.479 42.059 -0.039 0.000 0.925 99 L HN 0.306 nan 8.230 nan 0.000 0.446 100 E N -0.108 120.001 120.200 -0.153 0.000 2.046 100 E HA -0.097 4.251 4.350 -0.002 0.000 0.190 100 E C 2.273 178.704 176.600 -0.282 0.000 0.982 100 E CA 1.063 57.299 56.400 -0.273 0.000 0.800 100 E CB -0.245 29.279 29.700 -0.295 0.000 0.756 100 E HN 0.369 nan 8.360 nan 0.000 0.449 101 L N 0.794 121.949 121.223 -0.113 0.000 2.127 101 L HA -0.212 4.126 4.340 -0.002 0.000 0.211 101 L C 2.505 179.345 176.870 -0.049 0.000 1.089 101 L CA 1.583 56.411 54.840 -0.019 0.000 0.757 101 L CB -0.361 41.734 42.059 0.060 0.000 0.899 101 L HN 0.157 nan 8.230 nan 0.000 0.434 102 E N 0.664 120.824 120.200 -0.068 0.000 2.015 102 E HA -0.245 4.104 4.350 -0.002 0.000 0.191 102 E C 2.296 178.840 176.600 -0.095 0.000 0.991 102 E CA 1.195 57.562 56.400 -0.056 0.000 0.802 102 E CB -0.169 29.505 29.700 -0.043 0.000 0.759 102 E HN 0.148 nan 8.360 nan 0.000 0.447 103 R N -0.412 120.001 120.500 -0.146 0.000 2.113 103 R HA -0.171 4.168 4.340 -0.002 0.000 0.244 103 R C 2.144 178.314 176.300 -0.216 0.000 1.142 103 R CA 1.945 57.935 56.100 -0.183 0.000 0.953 103 R CB -0.114 30.043 30.300 -0.239 0.000 0.860 103 R HN 0.304 nan 8.270 nan 0.000 0.438 104 Q N -0.814 118.802 119.800 -0.307 0.000 2.482 104 Q HA 0.030 4.368 4.340 -0.002 0.000 0.209 104 Q C 0.974 176.896 176.000 -0.131 0.000 0.961 104 Q CA 0.962 56.554 55.803 -0.353 0.000 0.945 104 Q CB 0.625 28.939 28.738 -0.708 0.000 1.012 104 Q HN 0.677 nan 8.270 nan 0.000 0.515 105 G N 0.352 109.102 108.800 -0.083 0.000 2.168 105 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.257 105 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.257 105 G C 0.941 175.862 174.900 0.035 0.000 0.997 105 G CA 0.537 45.622 45.100 -0.025 0.000 0.708 105 G HN 0.339 nan 8.290 nan 0.000 0.520 106 V N 0.258 120.222 119.914 0.084 0.000 2.626 106 V HA -0.081 4.038 4.120 -0.002 0.000 0.252 106 V C 2.847 179.057 176.094 0.193 0.000 1.067 106 V CA 2.063 64.480 62.300 0.195 0.000 1.081 106 V CB -0.323 31.656 31.823 0.259 0.000 0.686 106 V HN 0.531 nan 8.190 nan 0.000 0.468 107 L N -0.273 121.014 121.223 0.106 0.000 2.093 107 L HA -0.152 4.187 4.340 -0.002 0.000 0.208 107 L C 2.518 179.433 176.870 0.074 0.000 1.085 107 L CA 1.705 56.600 54.840 0.092 0.000 0.755 107 L CB -0.505 41.584 42.059 0.050 0.000 0.904 107 L HN 0.359 nan 8.230 nan 0.000 0.435 108 E N 0.357 120.577 120.200 0.034 0.000 2.028 108 E HA -0.236 4.113 4.350 -0.002 0.000 0.191 108 E C 2.124 178.698 176.600 -0.044 0.000 0.988 108 E CA 0.899 57.297 56.400 -0.003 0.000 0.799 108 E CB 0.087 29.775 29.700 -0.020 0.000 0.755 108 E HN 0.345 nan 8.360 nan 0.000 0.447 109 E N -0.652 119.499 120.200 -0.082 0.000 2.086 109 E HA -0.209 4.140 4.350 -0.002 0.000 0.200 109 E C 1.006 177.290 176.600 -0.527 0.000 1.012 109 E CA 1.290 57.508 56.400 -0.304 0.000 0.812 109 E CB -0.036 29.475 29.700 -0.315 0.000 0.743 109 E HN 0.268 nan 8.360 nan 0.000 0.453 110 F N -0.742 119.217 119.950 0.014 0.000 2.639 110 F HA 0.288 4.814 4.527 -0.002 0.000 0.302 110 F C 0.983 176.789 175.800 0.010 0.000 1.097 110 F CA 0.322 58.329 58.000 0.011 0.000 1.294 110 F CB 1.033 40.039 39.000 0.010 0.000 1.027 110 F HN -0.019 nan 8.300 nan 0.000 0.550 111 G N 1.799 110.664 108.800 0.109 0.000 2.386 111 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.295 111 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.295 111 G C -0.328 174.627 174.900 0.092 0.000 0.979 111 G CA 0.045 45.190 45.100 0.075 0.000 1.193 111 G HN 0.170 nan 8.290 nan 0.000 0.508 112 V N 1.252 121.225 119.914 0.099 0.000 2.370 112 V HA 0.482 4.601 4.120 -0.002 0.000 0.279 112 V C 0.821 176.946 176.094 0.051 0.000 1.029 112 V CA -0.208 62.139 62.300 0.078 0.000 0.870 112 V CB 1.669 33.546 31.823 0.089 0.000 0.984 112 V HN 0.462 nan 8.190 nan 0.000 0.451 113 T N 6.551 121.128 114.554 0.039 0.000 2.806 113 T HA 0.393 4.742 4.350 -0.002 0.000 0.290 113 T C -0.040 174.671 174.700 0.019 0.000 0.966 113 T CA -0.250 61.866 62.100 0.027 0.000 1.060 113 T CB 0.933 69.815 68.868 0.023 0.000 0.927 113 T HN 0.586 nan 8.240 nan 0.000 0.485 114 M N 5.240 124.849 119.600 0.016 0.000 2.105 114 M HA 0.442 4.921 4.480 -0.002 0.000 0.350 114 M C -0.512 175.793 176.300 0.007 0.000 1.308 114 M CA -0.576 54.731 55.300 0.012 0.000 1.108 114 M CB -0.097 32.511 32.600 0.013 0.000 1.622 114 M HN 0.649 nan 8.290 nan 0.000 0.468 115 I N 1.227 121.797 120.570 0.000 0.000 2.863 115 I HA 0.939 5.108 4.170 -0.002 0.000 0.311 115 I C 0.729 176.845 176.117 -0.001 0.000 1.026 115 I CA -0.145 61.152 61.300 -0.005 0.000 1.077 115 I CB 1.676 39.664 38.000 -0.021 0.000 1.262 115 I HN 0.828 nan 8.210 nan 0.000 0.461 116 G N 2.837 111.639 108.800 0.003 0.000 5.353 116 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.283 116 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.283 116 G C 0.116 175.025 174.900 0.016 0.000 1.457 116 G CA 0.335 45.442 45.100 0.012 0.000 0.951 116 G HN 1.668 nan 8.290 nan 0.000 0.731 117 A N 0.231 123.059 122.820 0.014 0.000 2.414 117 A HA 0.888 5.207 4.320 -0.002 0.000 0.306 117 A C 0.191 177.785 177.584 0.016 0.000 1.054 117 A CA 0.984 53.031 52.037 0.016 0.000 0.724 117 A CB 1.347 20.356 19.000 0.015 0.000 1.267 117 A HN 2.022 nan 8.150 nan 0.000 0.418 118 T N -0.532 114.033 114.554 0.018 0.000 2.882 118 T HA 0.517 4.865 4.350 -0.002 0.000 0.287 118 T C 1.361 176.077 174.700 0.025 0.000 1.014 118 T CA 0.153 62.264 62.100 0.019 0.000 1.049 118 T CB 1.333 70.211 68.868 0.018 0.000 1.001 118 T HN 1.534 nan 8.240 nan 0.000 0.525 119 A N 1.071 123.907 122.820 0.026 0.000 1.978 119 A HA -0.101 4.217 4.320 -0.002 0.000 0.220 119 A C 1.986 179.598 177.584 0.047 0.000 1.170 119 A CA 2.156 54.214 52.037 0.036 0.000 0.636 119 A CB -1.249 17.765 19.000 0.023 0.000 0.810 119 A HN 1.046 nan 8.150 nan 0.000 0.448 120 D N -0.724 119.697 120.400 0.035 0.000 2.149 120 D HA 0.071 4.710 4.640 -0.002 0.000 0.201 120 D C 1.996 178.321 176.300 0.041 0.000 0.972 120 D CA 1.281 55.304 54.000 0.039 0.000 0.835 120 D CB -0.155 40.661 40.800 0.026 0.000 0.966 120 D HN 0.333 nan 8.370 nan 0.000 0.476 121 A N 0.421 123.260 122.820 0.032 0.000 1.877 121 A HA -0.125 4.194 4.320 -0.002 0.000 0.216 121 A C 2.356 179.955 177.584 0.025 0.000 1.186 121 A CA 1.239 53.293 52.037 0.029 0.000 0.620 121 A CB -0.919 18.095 19.000 0.023 0.000 0.822 121 A HN 0.372 nan 8.150 nan 0.000 0.443 122 I N -0.277 120.308 120.570 0.026 0.000 2.118 122 I HA -0.330 3.839 4.170 -0.002 0.000 0.241 122 I C 2.354 178.468 176.117 -0.005 0.000 1.070 122 I CA 2.232 63.538 61.300 0.009 0.000 1.327 122 I CB -0.469 37.560 38.000 0.050 0.000 1.034 122 I HN 0.458 nan 8.210 nan 0.000 0.405 123 D N 0.626 121.085 120.400 0.098 0.000 2.144 123 D HA -0.231 4.407 4.640 -0.002 0.000 0.199 123 D C 2.191 178.527 176.300 0.060 0.000 0.984 123 D CA 1.286 55.387 54.000 0.167 0.000 0.834 123 D CB 0.021 40.953 40.800 0.221 0.000 0.955 123 D HN 0.081 nan 8.370 nan 0.000 0.465 124 K N -0.553 119.880 120.400 0.055 0.000 2.103 124 K HA -0.111 4.208 4.320 -0.002 0.000 0.207 124 K C 1.876 178.531 176.600 0.092 0.000 1.048 124 K CA 1.204 57.530 56.287 0.066 0.000 0.930 124 K CB -0.082 32.450 32.500 0.053 0.000 0.716 124 K HN 0.182 nan 8.250 nan 0.000 0.444 125 A N 0.613 123.451 122.820 0.029 0.000 1.903 125 A HA -0.053 4.266 4.320 -0.002 0.000 0.213 125 A C 1.761 179.212 177.584 -0.221 0.000 1.185 125 A CA 0.994 53.026 52.037 -0.007 0.000 0.628 125 A CB -0.147 18.812 19.000 -0.068 0.000 0.830 125 A HN 0.190 nan 8.150 nan 0.000 0.446 126 E N 0.536 120.493 120.200 -0.404 0.000 2.230 126 E HA -0.053 4.296 4.350 -0.002 0.000 0.192 126 E C -0.067 176.163 176.600 -0.617 0.000 0.987 126 E CA 0.244 56.172 56.400 -0.786 0.000 0.841 126 E CB -0.208 28.513 29.700 -1.631 0.000 0.783 126 E HN 0.536 nan 8.360 nan 0.000 0.481 127 D N 1.335 121.583 120.400 -0.254 0.000 2.338 127 D HA 0.004 4.643 4.640 -0.002 0.000 0.255 127 D C 0.986 177.315 176.300 0.048 0.000 1.237 127 D CA -0.070 53.968 54.000 0.063 0.000 0.883 127 D CB 0.539 41.464 40.800 0.208 0.000 1.087 127 D HN -0.102 nan 8.370 nan 0.000 0.485 128 R N 3.559 124.083 120.500 0.040 0.000 2.127 128 R HA -0.167 4.172 4.340 -0.002 0.000 0.238 128 R C 2.057 178.418 176.300 0.101 0.000 1.134 128 R CA 0.766 56.897 56.100 0.053 0.000 0.975 128 R CB -0.199 30.109 30.300 0.013 0.000 0.865 128 R HN 0.500 nan 8.270 nan 0.000 0.447 129 R N 1.424 121.980 120.500 0.094 0.000 2.070 129 R HA -0.087 4.252 4.340 -0.002 0.000 0.233 129 R C 2.298 178.647 176.300 0.081 0.000 1.137 129 R CA 1.337 57.485 56.100 0.081 0.000 0.945 129 R CB -0.124 30.231 30.300 0.092 0.000 0.845 129 R HN 0.093 nan 8.270 nan 0.000 0.430 130 R N -0.511 120.045 120.500 0.093 0.000 2.083 130 R HA -0.187 4.151 4.340 -0.002 0.000 0.237 130 R C 2.273 178.620 176.300 0.078 0.000 1.137 130 R CA 1.946 58.092 56.100 0.076 0.000 0.951 130 R CB -0.581 29.769 30.300 0.084 0.000 0.851 130 R HN 0.265 nan 8.270 nan 0.000 0.434 131 F N 1.825 121.755 119.950 -0.032 0.000 2.095 131 F HA -0.262 4.264 4.527 -0.002 0.000 0.298 131 F C 1.921 177.698 175.800 -0.039 0.000 1.104 131 F CA 2.167 60.138 58.000 -0.048 0.000 1.232 131 F CB -0.408 38.548 39.000 -0.073 0.000 0.987 131 F HN 0.019 nan 8.300 nan 0.000 0.475 132 D N -0.550 119.901 120.400 0.084 0.000 2.178 132 D HA -0.166 4.473 4.640 -0.002 0.000 0.201 132 D C 2.062 178.302 176.300 -0.100 0.000 0.980 132 D CA 1.386 55.374 54.000 -0.020 0.000 0.842 132 D CB -0.036 40.798 40.800 0.057 0.000 0.948 132 D HN 0.208 nan 8.370 nan 0.000 0.472 133 V N 0.390 120.261 119.914 -0.071 0.000 2.453 133 V HA -0.105 4.014 4.120 -0.002 0.000 0.247 133 V C 2.481 178.510 176.094 -0.110 0.000 1.048 133 V CA 1.436 63.697 62.300 -0.065 0.000 1.049 133 V CB -0.633 31.172 31.823 -0.029 0.000 0.672 133 V HN 0.328 nan 8.190 nan 0.000 0.457 134 A N -0.176 122.542 122.820 -0.170 0.000 1.933 134 A HA -0.205 4.114 4.320 -0.002 0.000 0.218 134 A C 2.218 179.648 177.584 -0.257 0.000 1.175 134 A CA 1.853 53.763 52.037 -0.213 0.000 0.628 134 A CB -0.414 18.431 19.000 -0.257 0.000 0.814 134 A HN 0.401 nan 8.150 nan 0.000 0.444 135 M N -0.461 118.930 119.600 -0.348 0.000 2.175 135 M HA -0.092 4.387 4.480 -0.002 0.000 0.264 135 M C 1.934 178.148 176.300 -0.144 0.000 1.063 135 M CA 1.521 56.652 55.300 -0.281 0.000 1.119 135 M CB -1.172 31.250 32.600 -0.298 0.000 1.377 135 M HN 0.391 nan 8.290 nan 0.000 0.415 136 K N 0.061 120.392 120.400 -0.115 0.000 2.057 136 K HA -0.146 4.173 4.320 -0.002 0.000 0.207 136 K C 2.230 178.795 176.600 -0.059 0.000 1.049 136 K CA 1.019 57.266 56.287 -0.067 0.000 0.931 136 K CB -0.057 32.411 32.500 -0.053 0.000 0.714 136 K HN 0.157 nan 8.250 nan 0.000 0.440 137 K N 1.341 121.698 120.400 -0.072 0.000 2.026 137 K HA -0.136 4.183 4.320 -0.002 0.000 0.208 137 K C 1.885 178.454 176.600 -0.051 0.000 1.048 137 K CA 1.522 57.776 56.287 -0.056 0.000 0.929 137 K CB -0.103 32.360 32.500 -0.060 0.000 0.713 137 K HN 0.308 nan 8.250 nan 0.000 0.439 138 I N -2.804 117.727 120.570 -0.065 0.000 3.735 138 I HA 0.203 4.372 4.170 -0.002 0.000 0.310 138 I C 0.808 176.905 176.117 -0.034 0.000 1.270 138 I CA 0.616 61.887 61.300 -0.048 0.000 1.207 138 I CB -0.216 37.752 38.000 -0.053 0.000 1.013 138 I HN 0.224 nan 8.210 nan 0.000 0.452 139 G N 1.899 110.678 108.800 -0.034 0.000 2.153 139 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.252 139 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.252 139 G C 0.048 174.943 174.900 -0.008 0.000 0.994 139 G CA 0.443 45.532 45.100 -0.019 0.000 0.698 139 G HN 0.470 nan 8.290 nan 0.000 0.521 140 L N -0.181 121.032 121.223 -0.017 0.000 2.379 140 L HA 0.625 4.964 4.340 -0.002 0.000 0.269 140 L C 0.742 177.620 176.870 0.012 0.000 1.084 140 L CA -0.832 54.016 54.840 0.014 0.000 0.802 140 L CB 1.267 43.349 42.059 0.037 0.000 1.175 140 L HN 0.285 nan 8.230 nan 0.000 0.448 141 E N 0.910 121.142 120.200 0.052 0.000 2.242 141 E HA 0.419 4.768 4.350 -0.002 0.000 0.275 141 E C -1.051 175.587 176.600 0.064 0.000 1.002 141 E CA -0.501 55.932 56.400 0.055 0.000 0.841 141 E CB 1.520 31.266 29.700 0.076 0.000 1.109 141 E HN 0.689 nan 8.360 nan 0.000 0.394 142 T N 0.052 114.629 114.554 0.038 0.000 2.906 142 T HA 0.729 5.078 4.350 -0.002 0.000 0.295 142 T C -0.079 174.622 174.700 0.003 0.000 1.075 142 T CA -0.763 61.357 62.100 0.034 0.000 1.005 142 T CB 1.507 70.396 68.868 0.035 0.000 1.136 142 T HN 0.527 nan 8.240 nan 0.000 0.498 143 A N 1.589 124.391 122.820 -0.029 0.000 2.327 143 A HA 0.534 4.853 4.320 -0.002 0.000 0.255 143 A C 0.711 178.267 177.584 -0.047 0.000 1.099 143 A CA -0.628 51.364 52.037 -0.074 0.000 0.801 143 A CB 0.054 18.975 19.000 -0.132 0.000 1.062 143 A HN 0.836 nan 8.150 nan 0.000 0.496 144 R N 0.386 120.853 120.500 -0.055 0.000 2.421 144 R HA 0.271 4.610 4.340 -0.002 0.000 0.305 144 R C -0.090 176.183 176.300 -0.045 0.000 1.039 144 R CA 0.918 56.992 56.100 -0.043 0.000 1.003 144 R CB 0.124 30.395 30.300 -0.048 0.000 0.959 144 R HN 0.958 nan 8.270 nan 0.000 0.427 145 S N 1.169 116.849 115.700 -0.032 0.000 2.688 145 S HA 0.802 5.270 4.470 -0.002 0.000 0.275 145 S C -0.491 174.094 174.600 -0.024 0.000 1.175 145 S CA -0.778 57.405 58.200 -0.028 0.000 0.818 145 S CB 2.273 65.463 63.200 -0.017 0.000 1.157 145 S HN 0.595 nan 8.310 nan 0.000 0.482 146 G N -0.099 108.689 108.800 -0.020 0.000 2.659 146 G HA2 0.625 4.584 3.960 -0.002 0.000 0.296 146 G HA3 0.625 4.584 3.960 -0.002 0.000 0.296 146 G C -1.282 173.597 174.900 -0.035 0.000 1.369 146 G CA -0.749 44.336 45.100 -0.025 0.000 0.937 146 G HN 0.634 nan 8.290 nan 0.000 0.485 147 I N 0.604 121.135 120.570 -0.066 0.000 2.577 147 I HA 0.667 4.836 4.170 -0.002 0.000 0.300 147 I C 0.414 176.413 176.117 -0.198 0.000 0.990 147 I CA -0.642 60.576 61.300 -0.136 0.000 1.283 147 I CB 1.688 39.587 38.000 -0.168 0.000 1.411 147 I HN 0.639 nan 8.210 nan 0.000 0.515 148 A N 4.094 126.750 122.820 -0.274 0.000 2.437 148 A HA 0.567 4.886 4.320 -0.002 0.000 0.293 148 A C -0.717 176.704 177.584 -0.273 0.000 1.038 148 A CA -0.460 51.444 52.037 -0.221 0.000 0.708 148 A CB 0.626 19.596 19.000 -0.050 0.000 1.251 148 A HN 0.872 nan 8.150 nan 0.000 0.409 149 H N 0.736 119.820 119.070 0.022 0.000 2.827 149 H HA 0.272 4.827 4.556 -0.002 0.000 0.269 149 H C 0.791 176.126 175.328 0.012 0.000 1.031 149 H CA 0.890 56.947 56.048 0.014 0.000 1.202 149 H CB 1.082 30.852 29.762 0.013 0.000 1.511 149 H HN 0.762 nan 8.280 nan 0.000 0.517 150 T N -3.422 111.188 114.554 0.094 0.000 2.841 150 T HA 0.190 4.539 4.350 -0.002 0.000 0.296 150 T C 0.814 175.546 174.700 0.053 0.000 1.166 150 T CA -0.954 61.188 62.100 0.070 0.000 1.007 150 T CB 1.836 70.747 68.868 0.072 0.000 1.253 150 T HN 0.003 nan 8.240 nan 0.000 0.511 151 M N 0.713 120.345 119.600 0.053 0.000 2.175 151 M HA 0.112 4.591 4.480 -0.002 0.000 0.264 151 M C 2.075 178.442 176.300 0.111 0.000 1.063 151 M CA 1.924 57.265 55.300 0.069 0.000 1.119 151 M CB -0.671 31.964 32.600 0.059 0.000 1.377 151 M HN 0.870 nan 8.290 nan 0.000 0.415 152 E N -0.239 120.012 120.200 0.085 0.000 2.072 152 E HA -0.221 4.128 4.350 -0.002 0.000 0.191 152 E C 1.792 178.440 176.600 0.080 0.000 0.985 152 E CA 1.469 57.917 56.400 0.080 0.000 0.801 152 E CB -0.103 29.631 29.700 0.057 0.000 0.750 152 E HN 0.669 nan 8.360 nan 0.000 0.452 153 E N 0.164 120.405 120.200 0.069 0.000 2.051 153 E HA -0.214 4.135 4.350 -0.002 0.000 0.192 153 E C 2.063 178.712 176.600 0.082 0.000 0.991 153 E CA 0.967 57.398 56.400 0.051 0.000 0.799 153 E CB -0.162 29.553 29.700 0.026 0.000 0.748 153 E HN 0.344 nan 8.360 nan 0.000 0.449 154 A N 1.016 123.916 122.820 0.135 0.000 1.908 154 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 154 A C 2.174 180.031 177.584 0.455 0.000 1.181 154 A CA 1.294 53.508 52.037 0.296 0.000 0.627 154 A CB -0.656 18.453 19.000 0.182 0.000 0.818 154 A HN 0.139 nan 8.150 nan 0.000 0.445 155 L N -0.826 120.597 121.223 0.334 0.000 2.201 155 L HA -0.108 4.231 4.340 -0.002 0.000 0.212 155 L C 2.987 179.810 176.870 -0.078 0.000 1.105 155 L CA 0.903 55.791 54.840 0.080 0.000 0.775 155 L CB -0.488 41.629 42.059 0.097 0.000 0.913 155 L HN 0.401 nan 8.230 nan 0.000 0.440 156 A N -0.133 122.679 122.820 -0.013 0.000 1.877 156 A HA -0.149 4.170 4.320 -0.002 0.000 0.216 156 A C 2.363 179.893 177.584 -0.090 0.000 1.186 156 A CA 1.920 53.928 52.037 -0.049 0.000 0.620 156 A CB -0.874 18.118 19.000 -0.015 0.000 0.822 156 A HN 0.160 nan 8.150 nan 0.000 0.443 157 V N 0.003 119.887 119.914 -0.050 0.000 2.295 157 V HA -0.269 3.850 4.120 -0.002 0.000 0.246 157 V C 3.054 179.034 176.094 -0.191 0.000 1.049 157 V CA 1.985 64.247 62.300 -0.064 0.000 1.024 157 V CB -1.390 30.442 31.823 0.015 0.000 0.648 157 V HN 0.616 nan 8.190 nan 0.000 0.447 158 A N -0.067 122.538 122.820 -0.358 0.000 2.032 158 A HA -0.154 4.165 4.320 -0.002 0.000 0.221 158 A C 2.346 179.505 177.584 -0.708 0.000 1.165 158 A CA 2.192 53.760 52.037 -0.781 0.000 0.645 158 A CB -0.641 17.446 19.000 -1.521 0.000 0.807 158 A HN 0.614 nan 8.150 nan 0.000 0.453 159 A N -0.424 122.128 122.820 -0.447 0.000 1.970 159 A HA -0.033 4.286 4.320 -0.002 0.000 0.216 159 A C 1.802 179.239 177.584 -0.245 0.000 1.170 159 A CA 1.826 53.664 52.037 -0.332 0.000 0.645 159 A CB -0.409 18.464 19.000 -0.212 0.000 0.816 159 A HN 0.568 nan 8.150 nan 0.000 0.447 160 D N -0.158 120.121 120.400 -0.201 0.000 2.106 160 D HA -0.129 4.510 4.640 -0.002 0.000 0.203 160 D C 1.946 178.156 176.300 -0.150 0.000 0.977 160 D CA 2.230 56.145 54.000 -0.141 0.000 0.844 160 D CB -0.176 40.562 40.800 -0.103 0.000 1.002 160 D HN 0.345 nan 8.370 nan 0.000 0.461 161 V N -2.021 117.787 119.914 -0.177 0.000 2.809 161 V HA 0.301 4.419 4.120 -0.002 0.000 0.256 161 V C 1.260 177.240 176.094 -0.189 0.000 1.080 161 V CA 1.009 63.214 62.300 -0.159 0.000 1.102 161 V CB -1.163 30.581 31.823 -0.131 0.000 0.705 161 V HN 0.447 nan 8.190 nan 0.000 0.475 162 G N -0.201 108.416 108.800 -0.305 0.000 2.829 162 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.628 162 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.628 162 G C -0.802 173.881 174.900 -0.363 0.000 1.412 162 G CA -0.145 44.745 45.100 -0.349 0.000 0.864 162 G HN 0.573 nan 8.290 nan 0.000 0.544 163 F N 1.221 121.119 119.950 -0.086 0.000 2.397 163 F HA 0.600 5.126 4.527 -0.002 0.000 0.331 163 F C -1.015 174.766 175.800 -0.032 0.000 1.090 163 F CA -1.891 56.064 58.000 -0.075 0.000 1.065 163 F CB 0.900 39.867 39.000 -0.054 0.000 1.184 163 F HN 0.370 nan 8.300 nan 0.000 0.499 164 P HA 0.362 nan 4.420 nan 0.000 0.274 164 P C -1.069 176.251 177.300 0.034 0.000 1.231 164 P CA -0.490 62.632 63.100 0.038 0.000 0.790 164 P CB 0.675 32.233 31.700 -0.238 0.000 0.951 165 C N 0.636 119.988 119.300 0.086 0.000 2.889 165 C HA 0.792 5.251 4.460 -0.002 0.000 0.307 165 C C -0.565 174.450 174.990 0.042 0.000 1.251 165 C CA -0.930 58.129 59.018 0.068 0.000 1.593 165 C CB 0.308 28.094 27.740 0.078 0.000 2.104 165 C HN 0.382 nan 8.230 nan 0.000 0.476 166 I N 1.872 122.455 120.570 0.021 0.000 2.441 166 I HA 0.596 4.765 4.170 -0.002 0.000 0.295 166 I C -0.204 175.932 176.117 0.031 0.000 0.994 166 I CA -0.647 60.654 61.300 0.002 0.000 1.144 166 I CB 1.465 39.447 38.000 -0.031 0.000 1.314 166 I HN 0.607 nan 8.210 nan 0.000 0.445 167 I N 6.501 127.079 120.570 0.014 0.000 2.406 167 I HA 0.546 4.715 4.170 -0.002 0.000 0.290 167 I C -0.405 175.698 176.117 -0.024 0.000 0.999 167 I CA -0.433 60.861 61.300 -0.009 0.000 1.124 167 I CB 1.091 39.053 38.000 -0.062 0.000 1.289 167 I HN 0.394 nan 8.210 nan 0.000 0.441 168 R N 6.248 126.733 120.500 -0.026 0.000 2.510 168 R HA 0.447 4.786 4.340 -0.002 0.000 0.294 168 R C -2.819 173.466 176.300 -0.025 0.000 1.056 168 R CA -1.786 54.298 56.100 -0.026 0.000 0.918 168 R CB 1.769 32.050 30.300 -0.031 0.000 1.187 168 R HN 0.216 nan 8.270 nan 0.000 0.437 169 P HA 0.091 nan 4.420 nan 0.000 0.272 169 P C -0.429 176.881 177.300 0.016 0.000 1.230 169 P CA -0.206 62.895 63.100 0.001 0.000 0.788 169 P CB 0.811 32.514 31.700 0.004 0.000 0.949 170 S N 0.831 116.572 115.700 0.067 0.000 2.610 170 S HA 0.383 4.852 4.470 -0.002 0.000 0.273 170 S C -0.060 174.664 174.600 0.208 0.000 1.274 170 S CA -0.166 58.097 58.200 0.104 0.000 1.023 170 S CB -0.577 62.755 63.200 0.220 0.000 0.962 170 S HN 0.435 nan 8.310 nan 0.000 0.523 171 F N -0.179 119.752 119.950 -0.032 0.000 3.018 171 F HA -0.226 4.300 4.527 -0.002 0.000 0.287 171 F C 0.892 176.667 175.800 -0.041 0.000 0.813 171 F CA 0.880 58.858 58.000 -0.037 0.000 1.209 171 F CB -2.288 36.692 39.000 -0.033 0.000 1.321 171 F HN 0.673 nan 8.300 nan 0.000 0.477 172 T N -1.946 112.633 114.554 0.043 0.000 2.883 172 T HA 0.879 5.228 4.350 -0.002 0.000 0.296 172 T C -0.283 174.401 174.700 -0.028 0.000 1.117 172 T CA -0.238 61.870 62.100 0.012 0.000 1.006 172 T CB 2.953 71.826 68.868 0.008 0.000 1.191 172 T HN 0.445 nan 8.240 nan 0.000 0.508 173 M N -0.328 119.260 119.600 -0.020 0.000 2.843 173 M HA 0.864 5.343 4.480 -0.002 0.000 0.273 173 M C 0.839 177.135 176.300 -0.008 0.000 1.286 173 M CA 0.263 55.563 55.300 -0.000 0.000 0.807 173 M CB 0.363 32.967 32.600 0.006 0.000 1.684 173 M HN 1.601 nan 8.290 nan 0.000 0.458 174 G N -0.868 107.946 108.800 0.023 0.000 2.166 174 G HA2 0.183 4.142 3.960 -0.002 0.000 0.260 174 G HA3 0.183 4.142 3.960 -0.002 0.000 0.260 174 G C 1.191 175.861 174.900 -0.383 0.000 0.986 174 G CA 0.907 45.873 45.100 -0.223 0.000 0.683 174 G HN 2.573 nan 8.290 nan 0.000 0.527 175 G N -1.514 107.236 108.800 -0.084 0.000 2.155 175 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.257 175 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.257 175 G C 0.528 175.390 174.900 -0.064 0.000 0.983 175 G CA 0.822 45.912 45.100 -0.016 0.000 0.676 175 G HN 1.822 nan 8.290 nan 0.000 0.528 176 S N 0.115 115.767 115.700 -0.080 0.000 2.546 176 S HA 0.417 4.886 4.470 -0.002 0.000 0.290 176 S C 1.715 176.281 174.600 -0.056 0.000 1.262 176 S CA 1.264 59.417 58.200 -0.079 0.000 1.083 176 S CB 0.862 64.022 63.200 -0.067 0.000 0.859 176 S HN 2.104 nan 8.310 nan 0.000 0.495 177 G N 2.630 111.391 108.800 -0.065 0.000 2.225 177 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.254 177 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.254 177 G C 0.376 175.242 174.900 -0.056 0.000 0.988 177 G CA -0.064 45.001 45.100 -0.057 0.000 0.625 177 G HN 1.096 nan 8.290 nan 0.000 0.527 178 G N -0.974 107.799 108.800 -0.045 0.000 2.613 178 G HA2 0.941 4.900 3.960 -0.002 0.000 0.303 178 G HA3 0.941 4.900 3.960 -0.002 0.000 0.303 178 G C 0.263 175.147 174.900 -0.027 0.000 1.312 178 G CA 0.275 45.353 45.100 -0.036 0.000 1.036 178 G HN 1.680 nan 8.290 nan 0.000 0.513 179 G N -1.762 107.027 108.800 -0.018 0.000 2.320 179 G HA2 0.413 4.372 3.960 -0.002 0.000 0.296 179 G HA3 0.413 4.372 3.960 -0.002 0.000 0.296 179 G C -1.725 173.164 174.900 -0.019 0.000 1.306 179 G CA -0.875 44.222 45.100 -0.005 0.000 0.836 179 G HN 0.661 nan 8.290 nan 0.000 0.517 180 I N 1.126 121.673 120.570 -0.038 0.000 2.378 180 I HA 0.611 4.779 4.170 -0.002 0.000 0.291 180 I C 0.505 176.490 176.117 -0.220 0.000 0.992 180 I CA -0.755 60.458 61.300 -0.145 0.000 1.154 180 I CB 1.895 39.759 38.000 -0.228 0.000 1.315 180 I HN 0.725 nan 8.210 nan 0.000 0.448 181 A N 5.287 128.005 122.820 -0.169 0.000 2.304 181 A HA 0.542 4.861 4.320 -0.002 0.000 0.323 181 A C -0.602 176.741 177.584 -0.402 0.000 1.195 181 A CA -0.285 51.655 52.037 -0.162 0.000 0.826 181 A CB 0.416 19.492 19.000 0.127 0.000 1.184 181 A HN 0.730 nan 8.150 nan 0.000 0.496 182 Y N 1.243 121.437 120.300 -0.176 0.000 2.509 182 Y HA 0.112 4.661 4.550 -0.002 0.000 0.270 182 Y C 0.818 176.440 175.900 -0.462 0.000 1.103 182 Y CA 0.744 58.724 58.100 -0.200 0.000 1.278 182 Y CB 0.305 38.704 38.460 -0.102 0.000 1.087 182 Y HN 0.888 nan 8.280 nan 0.000 0.542 183 N N -2.397 115.964 118.700 -0.565 0.000 2.732 183 N HA 0.242 4.980 4.740 -0.002 0.000 0.259 183 N C 0.200 175.268 175.510 -0.736 0.000 1.402 183 N CA -0.979 51.671 53.050 -0.668 0.000 0.829 183 N CB 0.746 39.101 38.487 -0.220 0.000 1.495 183 N HN -0.239 nan 8.380 nan 0.000 0.511 184 R N -0.328 119.939 120.500 -0.389 0.000 2.105 184 R HA -0.101 4.238 4.340 -0.002 0.000 0.239 184 R C 1.236 177.555 176.300 0.031 0.000 1.135 184 R CA 1.465 57.544 56.100 -0.035 0.000 0.967 184 R CB -0.082 30.276 30.300 0.097 0.000 0.861 184 R HN 0.751 nan 8.270 nan 0.000 0.442 185 E N 0.500 120.685 120.200 -0.024 0.000 2.031 185 E HA -0.222 4.127 4.350 -0.002 0.000 0.193 185 E C 1.654 178.261 176.600 0.012 0.000 0.994 185 E CA 1.639 58.043 56.400 0.008 0.000 0.800 185 E CB 0.076 29.774 29.700 -0.003 0.000 0.752 185 E HN 0.460 nan 8.360 nan 0.000 0.447 186 E N -0.218 119.970 120.200 -0.020 0.000 2.150 186 E HA -0.175 4.174 4.350 -0.002 0.000 0.193 186 E C 1.888 178.503 176.600 0.025 0.000 0.985 186 E CA 0.718 57.116 56.400 -0.004 0.000 0.814 186 E CB -0.261 29.438 29.700 -0.002 0.000 0.752 186 E HN 0.219 nan 8.360 nan 0.000 0.466 187 F N 2.397 122.281 119.950 -0.110 0.000 2.095 187 F HA -0.221 4.305 4.527 -0.002 0.000 0.298 187 F C 2.048 177.860 175.800 0.021 0.000 1.104 187 F CA 1.648 59.641 58.000 -0.011 0.000 1.232 187 F CB 0.061 39.140 39.000 0.132 0.000 0.987 187 F HN -0.073 nan 8.300 nan 0.000 0.475 188 E N -0.279 120.000 120.200 0.133 0.000 2.072 188 E HA -0.251 4.098 4.350 -0.002 0.000 0.191 188 E C 2.226 178.802 176.600 -0.040 0.000 0.985 188 E CA 1.268 57.692 56.400 0.039 0.000 0.801 188 E CB -0.405 29.355 29.700 0.100 0.000 0.750 188 E HN 0.572 nan 8.360 nan 0.000 0.452 189 E N 0.891 121.076 120.200 -0.026 0.000 2.072 189 E HA -0.179 4.170 4.350 -0.002 0.000 0.191 189 E C 2.130 178.681 176.600 -0.081 0.000 0.985 189 E CA 0.748 57.121 56.400 -0.043 0.000 0.801 189 E CB 0.008 29.694 29.700 -0.024 0.000 0.750 189 E HN 0.222 nan 8.360 nan 0.000 0.452 190 I N 0.435 120.944 120.570 -0.102 0.000 2.286 190 I HA -0.288 3.880 4.170 -0.002 0.000 0.245 190 I C 2.663 178.672 176.117 -0.180 0.000 1.104 190 I CA 0.549 61.774 61.300 -0.124 0.000 1.397 190 I CB -0.229 37.702 38.000 -0.115 0.000 1.072 190 I HN 0.269 nan 8.210 nan 0.000 0.417 191 C N 0.794 119.915 119.300 -0.298 0.000 2.413 191 C HA -0.171 4.288 4.460 -0.002 0.000 0.276 191 C C 3.204 178.090 174.990 -0.173 0.000 1.248 191 C CA 0.989 59.809 59.018 -0.329 0.000 1.742 191 C CB -1.249 26.149 27.740 -0.569 0.000 2.017 191 C HN 0.601 nan 8.230 nan 0.000 0.481 192 A N 0.458 123.200 122.820 -0.129 0.000 1.883 192 A HA -0.249 4.070 4.320 -0.002 0.000 0.217 192 A C 2.230 179.765 177.584 -0.081 0.000 1.186 192 A CA 2.042 54.033 52.037 -0.076 0.000 0.624 192 A CB -0.645 18.324 19.000 -0.052 0.000 0.822 192 A HN 0.663 nan 8.150 nan 0.000 0.444 193 R N -0.693 119.749 120.500 -0.097 0.000 2.073 193 R HA -0.081 4.257 4.340 -0.002 0.000 0.234 193 R C 2.260 178.517 176.300 -0.073 0.000 1.134 193 R CA 1.668 57.713 56.100 -0.092 0.000 0.952 193 R CB -0.722 29.523 30.300 -0.091 0.000 0.850 193 R HN 0.439 nan 8.270 nan 0.000 0.433 194 G N 0.922 109.673 108.800 -0.080 0.000 2.418 194 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.217 194 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.217 194 G C 1.464 176.340 174.900 -0.039 0.000 1.158 194 G CA 0.675 45.738 45.100 -0.062 0.000 0.771 194 G HN 0.241 nan 8.290 nan 0.000 0.545 195 L N 0.161 121.357 121.223 -0.045 0.000 2.013 195 L HA -0.140 4.198 4.340 -0.002 0.000 0.212 195 L C 2.474 179.345 176.870 0.001 0.000 1.073 195 L CA 1.712 56.544 54.840 -0.014 0.000 0.753 195 L CB -0.277 41.775 42.059 -0.011 0.000 0.890 195 L HN 0.180 nan 8.230 nan 0.000 0.432 196 D N -0.957 119.438 120.400 -0.008 0.000 2.289 196 D HA -0.110 4.529 4.640 -0.002 0.000 0.207 196 D C 1.833 178.133 176.300 0.000 0.000 0.966 196 D CA 0.319 54.321 54.000 0.003 0.000 0.868 196 D CB 0.337 41.136 40.800 -0.000 0.000 0.943 196 D HN 0.106 nan 8.370 nan 0.000 0.514 197 L N -0.332 120.884 121.223 -0.011 0.000 2.307 197 L HA 0.243 4.582 4.340 -0.002 0.000 0.211 197 L C 0.688 177.562 176.870 0.006 0.000 1.099 197 L CA 0.363 55.199 54.840 -0.007 0.000 0.816 197 L CB -0.307 41.739 42.059 -0.022 0.000 0.952 197 L HN -0.174 nan 8.230 nan 0.000 0.455 198 S N 0.397 116.105 115.700 0.013 0.000 2.546 198 S HA 0.077 4.546 4.470 -0.002 0.000 0.290 198 S C -1.413 173.201 174.600 0.022 0.000 1.290 198 S CA -0.784 57.438 58.200 0.038 0.000 1.069 198 S CB 0.492 63.724 63.200 0.052 0.000 0.846 198 S HN 0.159 nan 8.310 nan 0.000 0.495 199 P HA 0.014 nan 4.420 nan 0.000 0.226 199 P C 0.947 178.173 177.300 -0.125 0.000 1.153 199 P CA 0.938 63.998 63.100 -0.067 0.000 0.777 199 P CB -0.056 31.575 31.700 -0.116 0.000 0.794 200 T N -5.269 109.239 114.554 -0.076 0.000 3.129 200 T HA 0.193 4.542 4.350 -0.002 0.000 0.267 200 T C 0.706 175.411 174.700 0.009 0.000 1.018 200 T CA -0.540 61.517 62.100 -0.072 0.000 0.903 200 T CB -0.499 68.337 68.868 -0.054 0.000 1.067 200 T HN -0.081 nan 8.240 nan 0.000 0.549 201 K N 1.120 121.536 120.400 0.026 0.000 3.156 201 K HA -0.219 4.100 4.320 -0.002 0.000 0.266 201 K C -0.487 176.196 176.600 0.138 0.000 0.966 201 K CA 0.823 57.143 56.287 0.054 0.000 0.719 201 K CB -1.093 31.422 32.500 0.024 0.000 1.333 201 K HN 0.873 nan 8.250 nan 0.000 0.468 202 E N 0.668 120.957 120.200 0.148 0.000 2.340 202 E HA 0.552 4.901 4.350 -0.002 0.000 0.273 202 E C -1.155 175.483 176.600 0.063 0.000 0.891 202 E CA -0.928 55.584 56.400 0.186 0.000 0.757 202 E CB 1.247 31.110 29.700 0.273 0.000 1.231 202 E HN 0.242 nan 8.360 nan 0.000 0.439 203 L N 3.141 124.359 121.223 -0.009 0.000 2.370 203 L HA 0.540 4.879 4.340 -0.002 0.000 0.266 203 L C -1.123 175.722 176.870 -0.042 0.000 1.002 203 L CA -1.233 53.589 54.840 -0.030 0.000 0.818 203 L CB 1.870 43.893 42.059 -0.060 0.000 1.325 203 L HN 0.493 nan 8.230 nan 0.000 0.418 204 L N 3.352 124.561 121.223 -0.023 0.000 2.313 204 L HA 0.613 4.952 4.340 -0.002 0.000 0.283 204 L C -0.882 175.985 176.870 -0.004 0.000 1.013 204 L CA 0.021 54.851 54.840 -0.016 0.000 0.816 204 L CB 1.399 43.453 42.059 -0.008 0.000 1.236 204 L HN 0.365 nan 8.230 nan 0.000 0.419 205 I N 4.413 124.991 120.570 0.014 0.000 2.389 205 I HA 0.410 4.579 4.170 -0.002 0.000 0.288 205 I C -0.878 175.250 176.117 0.019 0.000 0.999 205 I CA -0.383 60.949 61.300 0.054 0.000 1.129 205 I CB 1.571 39.661 38.000 0.151 0.000 1.288 205 I HN 0.606 nan 8.210 nan 0.000 0.444 206 D N 4.060 124.463 120.400 0.005 0.000 2.419 206 D HA 0.291 4.930 4.640 -0.002 0.000 0.234 206 D C -0.625 175.644 176.300 -0.051 0.000 1.014 206 D CA -0.731 53.249 54.000 -0.032 0.000 0.919 206 D CB 1.263 42.034 40.800 -0.049 0.000 1.366 206 D HN 0.576 nan 8.370 nan 0.000 0.490 207 E N -0.186 119.968 120.200 -0.078 0.000 2.404 207 E HA 0.189 4.538 4.350 -0.002 0.000 0.261 207 E C -0.403 176.127 176.600 -0.117 0.000 1.074 207 E CA -0.619 55.725 56.400 -0.094 0.000 0.917 207 E CB 0.954 30.596 29.700 -0.097 0.000 0.965 207 E HN 0.184 nan 8.360 nan 0.000 0.433 208 S N 2.729 118.366 115.700 -0.105 0.000 2.528 208 S HA 0.119 4.588 4.470 -0.002 0.000 0.277 208 S C 0.282 174.753 174.600 -0.215 0.000 1.297 208 S CA -0.632 57.495 58.200 -0.121 0.000 1.052 208 S CB 0.105 63.267 63.200 -0.064 0.000 0.917 208 S HN 0.591 nan 8.310 nan 0.000 0.492 209 L N 5.327 126.373 121.223 -0.295 0.000 3.202 209 L HA 0.400 4.739 4.340 -0.002 0.000 0.278 209 L C -0.178 176.520 176.870 -0.286 0.000 1.268 209 L CA -0.300 54.174 54.840 -0.610 0.000 1.034 209 L CB 0.078 41.658 42.059 -0.799 0.000 1.407 209 L HN 0.650 nan 8.230 nan 0.000 0.581 210 I N 1.174 121.686 120.570 -0.097 0.000 2.821 210 I HA -0.055 4.113 4.170 -0.002 0.000 0.294 210 I C 1.493 177.679 176.117 0.115 0.000 1.210 210 I CA 1.344 62.658 61.300 0.023 0.000 1.430 210 I CB 0.322 38.352 38.000 0.051 0.000 1.356 210 I HN 0.507 nan 8.210 nan 0.000 0.563 211 G N 4.538 113.423 108.800 0.141 0.000 2.234 211 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.235 211 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.235 211 G C -0.070 175.022 174.900 0.320 0.000 0.997 211 G CA -0.623 44.580 45.100 0.172 0.000 0.623 211 G HN 0.502 nan 8.290 nan 0.000 0.514 212 W N 1.944 123.280 121.300 0.059 0.000 2.079 212 W HA 0.610 5.269 4.660 -0.002 0.000 0.354 212 W C 1.129 177.701 176.519 0.088 0.000 1.302 212 W CA -0.401 56.998 57.345 0.090 0.000 1.281 212 W CB 0.397 29.913 29.460 0.093 0.000 1.165 212 W HN 0.043 nan 8.180 nan 0.000 0.603 213 K N 1.400 121.978 120.400 0.297 0.000 2.237 213 K HA 0.147 4.466 4.320 -0.002 0.000 0.270 213 K C -0.390 176.311 176.600 0.169 0.000 1.015 213 K CA -0.417 55.974 56.287 0.175 0.000 0.949 213 K CB 0.842 33.451 32.500 0.182 0.000 0.976 213 K HN 0.353 nan 8.250 nan 0.000 0.472 214 E N 2.207 122.383 120.200 -0.039 0.000 2.158 214 E HA 0.241 4.589 4.350 -0.002 0.000 0.271 214 E C -1.543 174.936 176.600 -0.203 0.000 0.911 214 E CA -0.532 55.865 56.400 -0.005 0.000 0.767 214 E CB 0.718 30.424 29.700 0.009 0.000 1.120 214 E HN 0.349 nan 8.360 nan 0.000 0.405 215 Y N 1.569 121.970 120.300 0.167 0.000 2.570 215 Y HA 0.416 4.965 4.550 -0.002 0.000 0.345 215 Y C -0.274 175.736 175.900 0.183 0.000 1.014 215 Y CA -0.804 57.392 58.100 0.160 0.000 1.063 215 Y CB 2.190 40.730 38.460 0.133 0.000 1.272 215 Y HN 0.434 nan 8.280 nan 0.000 0.477 216 E N 2.152 122.533 120.200 0.301 0.000 2.340 216 E HA 0.655 5.004 4.350 -0.002 0.000 0.273 216 E C -1.492 175.227 176.600 0.198 0.000 0.891 216 E CA -0.976 55.551 56.400 0.212 0.000 0.757 216 E CB 3.087 32.848 29.700 0.101 0.000 1.231 216 E HN 0.484 nan 8.360 nan 0.000 0.439 217 M N 1.512 121.216 119.600 0.172 0.000 2.393 217 M HA 0.304 4.783 4.480 -0.002 0.000 0.299 217 M C -1.041 175.294 176.300 0.059 0.000 1.103 217 M CA -0.843 54.520 55.300 0.104 0.000 0.910 217 M CB 2.419 35.070 32.600 0.085 0.000 1.659 217 M HN 0.284 nan 8.290 nan 0.000 0.445 218 E N 2.843 123.052 120.200 0.016 0.000 2.109 218 E HA 0.468 4.817 4.350 -0.002 0.000 0.278 218 E C -1.161 175.408 176.600 -0.051 0.000 0.954 218 E CA -0.321 56.072 56.400 -0.012 0.000 0.779 218 E CB 1.791 31.478 29.700 -0.022 0.000 1.093 218 E HN 0.359 nan 8.360 nan 0.000 0.401 219 V N 2.605 122.499 119.914 -0.033 0.000 2.667 219 V HA 0.524 4.643 4.120 -0.002 0.000 0.308 219 V C 0.098 176.168 176.094 -0.041 0.000 1.048 219 V CA -0.901 61.374 62.300 -0.041 0.000 0.928 219 V CB 2.104 33.925 31.823 -0.003 0.000 1.004 219 V HN 0.339 nan 8.190 nan 0.000 0.444 220 V N 3.916 123.799 119.914 -0.051 0.000 2.709 220 V HA 0.654 4.772 4.120 -0.002 0.000 0.308 220 V C -0.357 175.746 176.094 0.015 0.000 1.062 220 V CA -0.719 61.574 62.300 -0.012 0.000 0.901 220 V CB 2.064 33.878 31.823 -0.015 0.000 1.003 220 V HN 0.927 nan 8.190 nan 0.000 0.425 221 R N 2.426 122.949 120.500 0.038 0.000 2.673 221 R HA 0.632 4.970 4.340 -0.002 0.000 0.281 221 R C -1.657 174.678 176.300 0.058 0.000 0.991 221 R CA -0.497 55.629 56.100 0.043 0.000 0.896 221 R CB 2.087 32.407 30.300 0.033 0.000 1.201 221 R HN 0.954 nan 8.270 nan 0.000 0.457 222 D N 1.820 122.257 120.400 0.062 0.000 2.392 222 D HA 0.146 4.785 4.640 -0.002 0.000 0.246 222 D C 0.360 176.692 176.300 0.053 0.000 1.013 222 D CA -0.843 53.198 54.000 0.069 0.000 0.993 222 D CB 1.265 42.119 40.800 0.090 0.000 1.219 222 D HN 0.574 nan 8.370 nan 0.000 0.538 223 K N -0.003 120.427 120.400 0.051 0.000 2.281 223 K HA -0.117 4.202 4.320 -0.002 0.000 0.203 223 K C 0.609 177.229 176.600 0.034 0.000 1.046 223 K CA 1.101 57.410 56.287 0.037 0.000 0.938 223 K CB -0.426 32.091 32.500 0.030 0.000 0.737 223 K HN 0.141 nan 8.250 nan 0.000 0.458 224 N N 1.029 119.754 118.700 0.041 0.000 2.449 224 N HA -0.051 4.687 4.740 -0.002 0.000 0.191 224 N C -0.481 175.050 175.510 0.035 0.000 1.161 224 N CA 0.735 53.807 53.050 0.037 0.000 0.863 224 N CB 0.157 38.669 38.487 0.041 0.000 0.980 224 N HN 0.302 nan 8.380 nan 0.000 0.458 225 D N -0.699 119.722 120.400 0.035 0.000 3.070 225 D HA -0.159 4.480 4.640 -0.002 0.000 0.210 225 D C -0.878 175.444 176.300 0.035 0.000 1.103 225 D CA 0.472 54.491 54.000 0.032 0.000 0.980 225 D CB -1.364 39.451 40.800 0.025 0.000 1.100 225 D HN 0.195 nan 8.370 nan 0.000 0.423 226 N N 0.339 119.066 118.700 0.045 0.000 2.513 226 N HA 0.264 5.002 4.740 -0.002 0.000 0.268 226 N C -0.298 175.238 175.510 0.044 0.000 1.180 226 N CA 0.192 53.270 53.050 0.048 0.000 0.948 226 N CB 1.307 39.833 38.487 0.064 0.000 1.083 226 N HN 0.268 nan 8.380 nan 0.000 0.455 227 C N 3.864 123.184 119.300 0.034 0.000 2.397 227 C HA 0.662 5.121 4.460 -0.002 0.000 0.325 227 C C -0.317 174.675 174.990 0.004 0.000 1.201 227 C CA -0.750 58.281 59.018 0.021 0.000 1.377 227 C CB -0.918 26.832 27.740 0.017 0.000 2.038 227 C HN 0.720 nan 8.230 nan 0.000 0.457 228 I N 3.727 124.283 120.570 -0.024 0.000 2.740 228 I HA 0.673 4.841 4.170 -0.002 0.000 0.303 228 I C -0.837 175.211 176.117 -0.115 0.000 1.044 228 I CA -0.791 60.466 61.300 -0.071 0.000 1.064 228 I CB 1.431 39.359 38.000 -0.120 0.000 1.249 228 I HN 0.236 nan 8.210 nan 0.000 0.433 229 I N 5.032 125.534 120.570 -0.113 0.000 2.297 229 I HA 0.143 4.312 4.170 -0.002 0.000 0.291 229 I C 1.069 177.066 176.117 -0.200 0.000 1.033 229 I CA -0.299 60.936 61.300 -0.109 0.000 1.253 229 I CB 1.334 39.310 38.000 -0.040 0.000 1.396 229 I HN 0.593 nan 8.210 nan 0.000 0.476 230 V N 5.311 125.054 119.914 -0.284 0.000 2.591 230 V HA -0.078 4.041 4.120 -0.002 0.000 0.249 230 V C 0.793 176.753 176.094 -0.224 0.000 1.053 230 V CA 1.019 63.059 62.300 -0.434 0.000 1.068 230 V CB 0.166 31.637 31.823 -0.586 0.000 0.689 230 V HN 0.874 nan 8.190 nan 0.000 0.462 231 C N -0.222 119.016 119.300 -0.104 0.000 3.241 231 C HA 0.586 5.044 4.460 -0.002 0.000 0.348 231 C C -0.278 174.733 174.990 0.035 0.000 1.180 231 C CA -0.426 58.581 59.018 -0.019 0.000 1.273 231 C CB 1.259 28.998 27.740 -0.003 0.000 1.620 231 C HN 0.477 nan 8.230 nan 0.000 0.510 232 S N 4.041 119.795 115.700 0.090 0.000 2.501 232 S HA 0.896 5.365 4.470 -0.002 0.000 0.301 232 S C -1.027 173.663 174.600 0.150 0.000 1.096 232 S CA -0.550 57.732 58.200 0.137 0.000 1.063 232 S CB 1.212 64.553 63.200 0.235 0.000 1.042 232 S HN 0.707 nan 8.310 nan 0.000 0.494 233 I N 1.387 122.064 120.570 0.179 0.000 2.533 233 I HA 0.428 4.597 4.170 -0.002 0.000 0.290 233 I C -0.466 175.768 176.117 0.196 0.000 1.056 233 I CA -0.397 61.001 61.300 0.163 0.000 1.057 233 I CB 2.227 40.294 38.000 0.112 0.000 1.240 233 I HN 0.791 nan 8.210 nan 0.000 0.423 234 E N 6.107 126.396 120.200 0.149 0.000 2.151 234 E HA 0.347 4.695 4.350 -0.002 0.000 0.275 234 E C -0.915 175.688 176.600 0.005 0.000 0.936 234 E CA -0.579 55.817 56.400 -0.006 0.000 0.777 234 E CB 1.089 30.874 29.700 0.142 0.000 1.108 234 E HN 0.544 nan 8.360 nan 0.000 0.401 235 N N 3.952 122.580 118.700 -0.119 0.000 2.529 235 N HA 0.076 4.815 4.740 -0.002 0.000 0.278 235 N C 0.113 175.607 175.510 -0.026 0.000 1.146 235 N CA -0.196 52.838 53.050 -0.027 0.000 0.980 235 N CB 0.735 39.202 38.487 -0.033 0.000 1.124 235 N HN 0.520 nan 8.380 nan 0.000 0.458 236 F N 1.945 121.732 119.950 -0.271 0.000 2.149 236 F HA 0.055 4.581 4.527 -0.002 0.000 0.294 236 F C 0.509 176.169 175.800 -0.234 0.000 1.095 236 F CA 0.759 58.427 58.000 -0.553 0.000 1.276 236 F CB 0.218 38.842 39.000 -0.628 0.000 1.023 236 F HN 0.373 nan 8.300 nan 0.000 0.480 237 D N 1.719 122.217 120.400 0.164 0.000 2.350 237 D HA 0.314 4.953 4.640 -0.002 0.000 0.249 237 D C 0.389 176.706 176.300 0.028 0.000 1.119 237 D CA 0.362 54.422 54.000 0.101 0.000 0.886 237 D CB 1.416 42.326 40.800 0.183 0.000 1.195 237 D HN 0.322 nan 8.370 nan 0.000 0.437 238 A N 3.057 125.883 122.820 0.010 0.000 2.262 238 A HA 0.233 4.552 4.320 -0.002 0.000 0.273 238 A C 0.722 178.340 177.584 0.057 0.000 1.202 238 A CA -0.472 51.586 52.037 0.035 0.000 0.811 238 A CB 0.224 19.245 19.000 0.035 0.000 1.159 238 A HN 0.521 nan 8.150 nan 0.000 0.505 239 M N -0.006 119.646 119.600 0.087 0.000 2.260 239 M HA 0.258 4.737 4.480 -0.002 0.000 0.348 239 M C 1.333 177.666 176.300 0.056 0.000 1.342 239 M CA 1.877 57.221 55.300 0.073 0.000 1.040 239 M CB -0.320 32.337 32.600 0.096 0.000 1.810 239 M HN 1.411 nan 8.290 nan 0.000 0.453 240 G N 3.719 112.543 108.800 0.041 0.000 2.336 240 G HA2 -0.136 3.823 3.960 -0.002 0.000 0.194 240 G HA3 -0.136 3.823 3.960 -0.002 0.000 0.194 240 G C 0.012 174.959 174.900 0.080 0.000 0.999 240 G CA -0.636 44.495 45.100 0.053 0.000 0.669 240 G HN 0.563 nan 8.290 nan 0.000 0.482 241 I N 2.343 122.965 120.570 0.086 0.000 2.389 241 I HA 0.332 4.501 4.170 -0.002 0.000 0.288 241 I C 0.607 176.804 176.117 0.132 0.000 0.999 241 I CA -1.064 60.313 61.300 0.130 0.000 1.129 241 I CB 1.390 39.473 38.000 0.138 0.000 1.288 241 I HN 0.146 nan 8.210 nan 0.000 0.444 242 H N 4.933 124.053 119.070 0.083 0.000 3.092 242 H HA -0.083 4.472 4.556 -0.002 0.000 0.332 242 H C 1.124 176.491 175.328 0.065 0.000 1.029 242 H CA 1.340 57.426 56.048 0.063 0.000 1.376 242 H CB 1.243 31.041 29.762 0.060 0.000 1.329 242 H HN 0.856 nan 8.280 nan 0.000 0.598 243 T N 0.673 115.074 114.554 -0.256 0.000 2.803 243 T HA -0.125 4.224 4.350 -0.002 0.000 0.269 243 T C 2.151 176.941 174.700 0.151 0.000 1.052 243 T CA 1.039 63.114 62.100 -0.041 0.000 1.136 243 T CB -0.603 68.195 68.868 -0.117 0.000 0.864 243 T HN 0.626 nan 8.240 nan 0.000 0.467 244 G N 0.775 109.852 108.800 0.462 0.000 2.471 244 G HA2 -0.063 3.896 3.960 -0.002 0.000 0.219 244 G HA3 -0.063 3.896 3.960 -0.002 0.000 0.219 244 G C 1.018 175.999 174.900 0.134 0.000 1.125 244 G CA 0.657 45.915 45.100 0.263 0.000 0.775 244 G HN 0.495 nan 8.290 nan 0.000 0.548 245 D N -0.421 120.113 120.400 0.225 0.000 2.395 245 D HA 0.255 4.894 4.640 -0.002 0.000 0.213 245 D C 0.551 177.021 176.300 0.283 0.000 1.110 245 D CA 0.003 54.154 54.000 0.251 0.000 0.835 245 D CB 0.705 41.740 40.800 0.392 0.000 0.965 245 D HN 0.076 nan 8.370 nan 0.000 0.505 246 S N -0.303 115.505 115.700 0.180 0.000 2.681 246 S HA 0.500 4.969 4.470 -0.002 0.000 0.299 246 S C 0.330 174.977 174.600 0.078 0.000 1.113 246 S CA -0.670 57.622 58.200 0.153 0.000 1.013 246 S CB 1.770 65.041 63.200 0.119 0.000 1.076 246 S HN 0.024 nan 8.310 nan 0.000 0.534 247 I N 2.296 122.896 120.570 0.050 0.000 2.519 247 I HA 0.309 4.478 4.170 -0.002 0.000 0.287 247 I C 0.580 176.692 176.117 -0.009 0.000 1.047 247 I CA 0.120 61.365 61.300 -0.091 0.000 1.381 247 I CB 1.123 38.857 38.000 -0.444 0.000 1.417 247 I HN 0.694 nan 8.210 nan 0.000 0.540 248 T N 3.565 118.108 114.554 -0.018 0.000 2.900 248 T HA 0.735 5.084 4.350 -0.002 0.000 0.303 248 T C -0.660 174.076 174.700 0.060 0.000 1.142 248 T CA -0.762 61.360 62.100 0.036 0.000 1.007 248 T CB 1.812 70.704 68.868 0.040 0.000 1.156 248 T HN 0.482 nan 8.240 nan 0.000 0.490 249 V N -1.245 118.745 119.914 0.127 0.000 3.040 249 V HA 1.044 5.162 4.120 -0.002 0.000 0.312 249 V C -0.562 175.624 176.094 0.153 0.000 1.115 249 V CA -1.051 61.350 62.300 0.169 0.000 0.998 249 V CB 1.248 33.259 31.823 0.313 0.000 1.042 249 V HN 1.637 nan 8.190 nan 0.000 0.433 250 A N 3.917 126.815 122.820 0.129 0.000 2.414 250 A HA 1.035 5.354 4.320 -0.002 0.000 0.306 250 A C -2.899 174.733 177.584 0.079 0.000 1.054 250 A CA -1.806 50.291 52.037 0.101 0.000 0.724 250 A CB 1.907 20.952 19.000 0.076 0.000 1.267 250 A HN 0.793 nan 8.150 nan 0.000 0.418 251 P HA 0.463 nan 4.420 nan 0.000 0.302 251 P C 0.118 177.476 177.300 0.097 0.000 1.307 251 P CA -0.212 62.922 63.100 0.057 0.000 0.754 251 P CB 0.568 32.264 31.700 -0.006 0.000 1.298 252 A N 0.358 123.271 122.820 0.155 0.000 2.520 252 A HA 0.061 4.380 4.320 -0.002 0.000 0.235 252 A C 1.113 178.714 177.584 0.028 0.000 1.065 252 A CA 0.331 52.499 52.037 0.218 0.000 0.764 252 A CB -0.332 18.866 19.000 0.330 0.000 1.002 252 A HN 0.472 nan 8.150 nan 0.000 0.502 253 Q N 0.222 119.982 119.800 -0.066 0.000 2.422 253 Q HA 0.015 4.353 4.340 -0.002 0.000 0.255 253 Q C 1.258 176.945 176.000 -0.523 0.000 0.864 253 Q CA 1.517 57.051 55.803 -0.448 0.000 0.968 253 Q CB 0.104 28.252 28.738 -0.983 0.000 1.130 253 Q HN 0.993 nan 8.270 nan 0.000 0.556 254 T N -1.682 112.692 114.554 -0.299 0.000 3.214 254 T HA 0.468 4.816 4.350 -0.002 0.000 0.264 254 T C 0.477 175.112 174.700 -0.109 0.000 1.012 254 T CA -0.146 61.805 62.100 -0.248 0.000 0.901 254 T CB -0.275 68.485 68.868 -0.180 0.000 1.070 254 T HN -0.100 nan 8.240 nan 0.000 0.561 255 L N 2.735 123.897 121.223 -0.102 0.000 2.309 255 L HA 0.520 4.859 4.340 -0.002 0.000 0.282 255 L C 0.970 177.779 176.870 -0.101 0.000 1.036 255 L CA -1.033 53.735 54.840 -0.120 0.000 0.806 255 L CB 1.795 43.755 42.059 -0.165 0.000 1.220 255 L HN 0.306 nan 8.230 nan 0.000 0.429 256 T N -2.624 111.874 114.554 -0.093 0.000 2.788 256 T HA 0.014 4.363 4.350 -0.002 0.000 0.287 256 T C 0.729 175.393 174.700 -0.060 0.000 1.007 256 T CA -0.435 61.615 62.100 -0.082 0.000 1.005 256 T CB 1.115 69.940 68.868 -0.072 0.000 1.012 256 T HN 0.689 nan 8.240 nan 0.000 0.530 257 D N -0.088 120.270 120.400 -0.070 0.000 2.144 257 D HA -0.098 4.541 4.640 -0.002 0.000 0.199 257 D C 2.016 178.314 176.300 -0.003 0.000 0.984 257 D CA 1.321 55.289 54.000 -0.053 0.000 0.834 257 D CB -0.067 40.687 40.800 -0.078 0.000 0.955 257 D HN 0.628 nan 8.370 nan 0.000 0.465 258 K N -0.073 120.310 120.400 -0.029 0.000 2.057 258 K HA -0.139 4.180 4.320 -0.002 0.000 0.207 258 K C 2.156 178.728 176.600 -0.046 0.000 1.049 258 K CA 1.323 57.591 56.287 -0.033 0.000 0.931 258 K CB -0.014 32.461 32.500 -0.042 0.000 0.714 258 K HN 0.282 nan 8.250 nan 0.000 0.440 259 E N -0.387 119.774 120.200 -0.065 0.000 2.072 259 E HA -0.213 4.136 4.350 -0.002 0.000 0.191 259 E C 1.853 178.365 176.600 -0.147 0.000 0.985 259 E CA 1.079 57.408 56.400 -0.119 0.000 0.801 259 E CB -0.175 29.437 29.700 -0.148 0.000 0.750 259 E HN 0.298 nan 8.360 nan 0.000 0.452 260 Y N 1.980 122.150 120.300 -0.217 0.000 2.151 260 Y HA -0.300 4.249 4.550 -0.002 0.000 0.284 260 Y C 2.326 178.113 175.900 -0.188 0.000 1.166 260 Y CA 1.682 59.648 58.100 -0.223 0.000 1.163 260 Y CB 0.115 38.470 38.460 -0.175 0.000 0.974 260 Y HN -0.009 nan 8.280 nan 0.000 0.511 261 Q N 0.131 119.960 119.800 0.048 0.000 2.119 261 Q HA -0.149 4.190 4.340 -0.002 0.000 0.201 261 Q C 2.476 178.408 176.000 -0.114 0.000 0.972 261 Q CA 1.753 57.550 55.803 -0.009 0.000 0.847 261 Q CB -0.535 28.216 28.738 0.021 0.000 0.903 261 Q HN 0.615 nan 8.270 nan 0.000 0.433 262 I N 0.529 121.017 120.570 -0.137 0.000 2.163 262 I HA -0.311 3.858 4.170 -0.002 0.000 0.243 262 I C 2.556 178.525 176.117 -0.247 0.000 1.085 262 I CA 1.251 62.458 61.300 -0.154 0.000 1.347 262 I CB -0.268 37.645 38.000 -0.145 0.000 1.044 262 I HN 0.228 nan 8.210 nan 0.000 0.408 263 M N 0.548 119.906 119.600 -0.403 0.000 2.080 263 M HA -0.274 4.205 4.480 -0.002 0.000 0.260 263 M C 2.558 178.551 176.300 -0.511 0.000 1.068 263 M CA 1.823 56.720 55.300 -0.672 0.000 1.109 263 M CB -0.243 31.833 32.600 -0.874 0.000 1.342 263 M HN 0.081 nan 8.290 nan 0.000 0.405 264 R N 0.187 120.423 120.500 -0.440 0.000 2.073 264 R HA -0.172 4.167 4.340 -0.002 0.000 0.234 264 R C 1.630 177.858 176.300 -0.120 0.000 1.134 264 R CA 2.439 58.370 56.100 -0.282 0.000 0.952 264 R CB -0.525 29.633 30.300 -0.236 0.000 0.850 264 R HN 0.598 nan 8.270 nan 0.000 0.433 265 N N -0.023 118.616 118.700 -0.102 0.000 2.084 265 N HA -0.166 4.573 4.740 -0.002 0.000 0.190 265 N C 1.890 177.393 175.510 -0.011 0.000 1.030 265 N CA 1.136 54.159 53.050 -0.045 0.000 0.849 265 N CB -0.199 38.262 38.487 -0.043 0.000 1.012 265 N HN 0.302 nan 8.380 nan 0.000 0.423 266 A N 0.941 123.753 122.820 -0.014 0.000 1.892 266 A HA -0.187 4.132 4.320 -0.002 0.000 0.218 266 A C 2.358 180.058 177.584 0.193 0.000 1.188 266 A CA 1.787 53.882 52.037 0.096 0.000 0.631 266 A CB -0.852 18.241 19.000 0.155 0.000 0.822 266 A HN 0.216 nan 8.150 nan 0.000 0.447 267 S N -0.340 115.500 115.700 0.233 0.000 2.374 267 S HA -0.223 4.246 4.470 -0.002 0.000 0.227 267 S C 2.013 176.676 174.600 0.106 0.000 1.037 267 S CA 1.973 60.319 58.200 0.243 0.000 1.024 267 S CB -0.455 62.854 63.200 0.182 0.000 0.861 267 S HN 0.601 nan 8.310 nan 0.000 0.456 268 M N 0.844 120.479 119.600 0.057 0.000 2.156 268 M HA -0.014 4.465 4.480 -0.002 0.000 0.264 268 M C 2.556 178.876 176.300 0.032 0.000 1.067 268 M CA 1.291 56.611 55.300 0.033 0.000 1.131 268 M CB -0.643 31.965 32.600 0.015 0.000 1.368 268 M HN 0.370 nan 8.290 nan 0.000 0.416 269 A N 0.272 123.112 122.820 0.033 0.000 1.933 269 A HA -0.089 4.230 4.320 -0.002 0.000 0.218 269 A C 2.302 179.895 177.584 0.014 0.000 1.175 269 A CA 1.524 53.573 52.037 0.019 0.000 0.628 269 A CB -0.976 18.034 19.000 0.017 0.000 0.814 269 A HN 0.291 nan 8.150 nan 0.000 0.444 270 V N -0.408 119.527 119.914 0.036 0.000 2.261 270 V HA -0.257 3.862 4.120 -0.002 0.000 0.246 270 V C 2.523 178.637 176.094 0.033 0.000 1.047 270 V CA 2.061 64.376 62.300 0.026 0.000 1.015 270 V CB -0.773 31.088 31.823 0.064 0.000 0.642 270 V HN 0.510 nan 8.190 nan 0.000 0.446 271 L N -0.495 120.753 121.223 0.041 0.000 2.042 271 L HA -0.174 4.165 4.340 -0.002 0.000 0.210 271 L C 2.583 179.468 176.870 0.024 0.000 1.076 271 L CA 1.975 56.836 54.840 0.035 0.000 0.749 271 L CB -0.719 41.358 42.059 0.031 0.000 0.893 271 L HN 0.201 nan 8.230 nan 0.000 0.432 272 R N -0.942 119.569 120.500 0.018 0.000 2.066 272 R HA -0.194 4.145 4.340 -0.002 0.000 0.232 272 R C 2.263 178.565 176.300 0.004 0.000 1.131 272 R CA 1.361 57.468 56.100 0.011 0.000 0.955 272 R CB -0.249 30.056 30.300 0.009 0.000 0.851 272 R HN 0.261 nan 8.270 nan 0.000 0.432 273 E N 0.981 121.177 120.200 -0.007 0.000 2.051 273 E HA -0.171 4.178 4.350 -0.002 0.000 0.192 273 E C 1.618 178.210 176.600 -0.015 0.000 0.991 273 E CA 1.305 57.692 56.400 -0.023 0.000 0.799 273 E CB -0.168 29.499 29.700 -0.055 0.000 0.748 273 E HN 0.097 nan 8.360 nan 0.000 0.449 274 I N 0.019 120.590 120.570 0.001 0.000 2.361 274 I HA -0.004 4.164 4.170 -0.002 0.000 0.251 274 I C 1.685 177.815 176.117 0.023 0.000 1.133 274 I CA 1.730 63.045 61.300 0.026 0.000 1.413 274 I CB -0.466 37.578 38.000 0.074 0.000 1.073 274 I HN 0.426 nan 8.210 nan 0.000 0.424 275 G N -0.183 108.629 108.800 0.019 0.000 2.181 275 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.152 275 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.152 275 G C -0.057 174.856 174.900 0.021 0.000 1.026 275 G CA -0.120 44.991 45.100 0.018 0.000 0.699 275 G HN 0.123 nan 8.290 nan 0.000 0.497 276 V N 0.700 120.628 119.914 0.024 0.000 2.364 276 V HA 0.484 4.603 4.120 -0.002 0.000 0.272 276 V C 0.867 176.976 176.094 0.026 0.000 1.036 276 V CA 0.486 62.800 62.300 0.025 0.000 0.880 276 V CB 1.122 32.961 31.823 0.026 0.000 0.991 276 V HN 0.592 nan 8.190 nan 0.000 0.460 277 E N 2.536 122.752 120.200 0.026 0.000 2.572 277 E HA 0.107 4.456 4.350 -0.002 0.000 0.220 277 E C 0.500 177.121 176.600 0.035 0.000 0.945 277 E CA 0.224 56.641 56.400 0.029 0.000 1.070 277 E CB 0.808 30.523 29.700 0.025 0.000 1.090 277 E HN 0.691 nan 8.360 nan 0.000 0.506 278 T N -1.093 113.483 114.554 0.036 0.000 3.542 278 T HA 0.679 5.028 4.350 -0.002 0.000 0.276 278 T C 0.103 174.832 174.700 0.048 0.000 1.412 278 T CA -0.221 61.906 62.100 0.044 0.000 1.664 278 T CB 0.833 69.725 68.868 0.040 0.000 0.863 278 T HN 0.267 nan 8.240 nan 0.000 0.661 279 G N 0.096 108.927 108.800 0.053 0.000 2.345 279 G HA2 0.517 4.475 3.960 -0.002 0.000 0.285 279 G HA3 0.517 4.475 3.960 -0.002 0.000 0.285 279 G C -0.368 174.563 174.900 0.051 0.000 1.297 279 G CA -0.297 44.837 45.100 0.057 0.000 0.875 279 G HN 0.754 nan 8.290 nan 0.000 0.506 280 G N -1.044 107.787 108.800 0.053 0.000 2.477 280 G HA2 0.689 4.648 3.960 -0.002 0.000 0.304 280 G HA3 0.689 4.648 3.960 -0.002 0.000 0.304 280 G C -0.345 174.576 174.900 0.034 0.000 1.175 280 G CA 0.550 45.675 45.100 0.042 0.000 0.907 280 G HN 1.375 nan 8.290 nan 0.000 0.509 281 S N -0.554 115.161 115.700 0.025 0.000 2.552 281 S HA 0.350 4.818 4.470 -0.002 0.000 0.272 281 S C -1.104 173.503 174.600 0.012 0.000 1.150 281 S CA -0.905 57.306 58.200 0.018 0.000 0.849 281 S CB 1.867 65.076 63.200 0.016 0.000 1.113 281 S HN 0.830 nan 8.310 nan 0.000 0.458 282 N N 1.501 120.202 118.700 0.002 0.000 2.372 282 N HA 0.560 5.299 4.740 -0.002 0.000 0.291 282 N C -1.494 173.992 175.510 -0.040 0.000 1.024 282 N CA -0.279 52.769 53.050 -0.003 0.000 0.873 282 N CB 1.498 39.989 38.487 0.007 0.000 1.206 282 N HN 0.367 nan 8.380 nan 0.000 0.486 283 V N 2.907 122.801 119.914 -0.034 0.000 2.495 283 V HA 0.393 4.512 4.120 -0.002 0.000 0.298 283 V C -0.138 175.822 176.094 -0.223 0.000 1.031 283 V CA -0.728 61.481 62.300 -0.150 0.000 0.871 283 V CB 1.562 33.304 31.823 -0.135 0.000 0.988 283 V HN 0.642 nan 8.190 nan 0.000 0.432 284 Q N 2.972 122.534 119.800 -0.396 0.000 2.342 284 Q HA 0.751 5.090 4.340 -0.002 0.000 0.267 284 Q C -1.658 174.098 176.000 -0.406 0.000 1.038 284 Q CA -0.373 55.284 55.803 -0.243 0.000 0.832 284 Q CB 2.701 31.348 28.738 -0.152 0.000 1.323 284 Q HN 0.661 nan 8.270 nan 0.000 0.448 285 F N -0.093 119.921 119.950 0.105 0.000 2.650 285 F HA 0.785 5.311 4.527 -0.002 0.000 0.320 285 F C -0.490 175.432 175.800 0.203 0.000 1.091 285 F CA -1.057 57.028 58.000 0.141 0.000 0.962 285 F CB 1.695 40.773 39.000 0.131 0.000 1.363 285 F HN 0.513 nan 8.300 nan 0.000 0.482 286 A N 0.845 123.945 122.820 0.466 0.000 2.371 286 A HA 0.844 5.163 4.320 -0.002 0.000 0.311 286 A C -1.789 176.140 177.584 0.575 0.000 1.068 286 A CA -0.717 51.611 52.037 0.484 0.000 0.744 286 A CB 1.511 20.758 19.000 0.413 0.000 1.239 286 A HN 0.525 nan 8.150 nan 0.000 0.435 287 V N 2.899 123.121 119.914 0.514 0.000 2.531 287 V HA 0.286 4.405 4.120 -0.002 0.000 0.301 287 V C -0.378 175.641 176.094 -0.124 0.000 1.034 287 V CA -0.916 61.520 62.300 0.226 0.000 0.865 287 V CB 1.875 33.819 31.823 0.201 0.000 0.995 287 V HN 0.921 nan 8.190 nan 0.000 0.424 288 N N 7.530 125.778 118.700 -0.754 0.000 2.420 288 N HA 0.221 4.960 4.740 -0.002 0.000 0.262 288 N C -1.452 173.753 175.510 -0.508 0.000 1.144 288 N CA -1.834 50.439 53.050 -1.294 0.000 0.952 288 N CB 1.811 39.401 38.487 -1.495 0.000 1.081 288 N HN 0.280 nan 8.380 nan 0.000 0.480 289 P HA -0.112 nan 4.420 nan 0.000 0.220 289 P C 0.643 177.862 177.300 -0.135 0.000 1.148 289 P CA 1.332 64.358 63.100 -0.124 0.000 0.803 289 P CB 0.435 32.131 31.700 -0.006 0.000 0.782 290 K N -0.285 120.008 120.400 -0.178 0.000 2.217 290 K HA -0.070 4.249 4.320 -0.002 0.000 0.202 290 K C 0.886 177.413 176.600 -0.122 0.000 1.051 290 K CA 1.505 57.718 56.287 -0.124 0.000 0.952 290 K CB -0.155 32.286 32.500 -0.097 0.000 0.736 290 K HN 0.285 nan 8.250 nan 0.000 0.453 291 N N -2.678 115.925 118.700 -0.162 0.000 2.110 291 N HA 0.100 4.838 4.740 -0.002 0.000 0.230 291 N C 0.486 175.922 175.510 -0.123 0.000 1.353 291 N CA 0.285 53.263 53.050 -0.119 0.000 0.807 291 N CB 0.731 39.161 38.487 -0.095 0.000 1.244 291 N HN 0.051 nan 8.380 nan 0.000 0.504 292 G N 1.028 109.733 108.800 -0.158 0.000 2.168 292 G HA2 -0.417 3.542 3.960 -0.002 0.000 0.263 292 G HA3 -0.417 3.542 3.960 -0.002 0.000 0.263 292 G C 0.032 174.859 174.900 -0.121 0.000 0.977 292 G CA 0.334 45.352 45.100 -0.137 0.000 0.659 292 G HN 0.672 nan 8.290 nan 0.000 0.533 293 R N -0.203 120.211 120.500 -0.144 0.000 2.480 293 R HA 0.319 4.658 4.340 -0.002 0.000 0.303 293 R C 0.054 176.386 176.300 0.054 0.000 0.985 293 R CA -0.281 55.795 56.100 -0.040 0.000 1.051 293 R CB 0.028 30.313 30.300 -0.025 0.000 0.935 293 R HN 0.317 nan 8.270 nan 0.000 0.410 294 L N 6.781 128.063 121.223 0.098 0.000 2.282 294 L HA 0.446 4.784 4.340 -0.002 0.000 0.288 294 L C -0.898 176.131 176.870 0.266 0.000 1.033 294 L CA -0.150 54.785 54.840 0.158 0.000 0.807 294 L CB 1.307 43.380 42.059 0.024 0.000 1.209 294 L HN 0.598 nan 8.230 nan 0.000 0.423 295 I N 5.691 126.484 120.570 0.372 0.000 2.406 295 I HA 0.353 4.521 4.170 -0.002 0.000 0.290 295 I C -0.501 175.806 176.117 0.317 0.000 0.999 295 I CA -1.010 60.471 61.300 0.302 0.000 1.124 295 I CB 1.945 40.085 38.000 0.234 0.000 1.289 295 I HN 0.300 nan 8.210 nan 0.000 0.441 296 V N 6.420 126.474 119.914 0.234 0.000 2.686 296 V HA 0.170 4.289 4.120 -0.002 0.000 0.295 296 V C 0.908 177.038 176.094 0.060 0.000 1.055 296 V CA -0.262 62.089 62.300 0.086 0.000 1.050 296 V CB 1.379 33.234 31.823 0.055 0.000 0.984 296 V HN 0.590 nan 8.190 nan 0.000 0.482 297 I N 1.902 122.441 120.570 -0.052 0.000 3.136 297 I HA 0.263 4.432 4.170 -0.002 0.000 0.262 297 I C 0.912 176.940 176.117 -0.149 0.000 1.132 297 I CA 0.866 62.134 61.300 -0.053 0.000 1.450 297 I CB -0.150 37.802 38.000 -0.079 0.000 1.315 297 I HN 1.053 nan 8.210 nan 0.000 0.460 298 E N 0.952 120.959 120.200 -0.321 0.000 2.402 298 E HA 0.528 4.877 4.350 -0.002 0.000 0.270 298 E C -0.869 175.370 176.600 -0.602 0.000 1.131 298 E CA -0.915 55.036 56.400 -0.749 0.000 0.884 298 E CB 1.788 31.159 29.700 -0.549 0.000 1.564 298 E HN 0.032 nan 8.360 nan 0.000 0.456 299 M N 0.416 119.603 119.600 -0.688 0.000 2.421 299 M HA 0.591 5.070 4.480 -0.002 0.000 0.287 299 M C -2.138 174.003 176.300 -0.265 0.000 1.183 299 M CA -0.535 54.580 55.300 -0.309 0.000 0.916 299 M CB 2.448 35.012 32.600 -0.060 0.000 1.701 299 M HN 0.367 nan 8.290 nan 0.000 0.470 300 N N 3.881 122.493 118.700 -0.146 0.000 2.476 300 N HA 0.416 5.155 4.740 -0.002 0.000 0.257 300 N C -2.614 172.866 175.510 -0.050 0.000 0.970 300 N CA -1.224 51.764 53.050 -0.102 0.000 0.938 300 N CB 1.773 40.226 38.487 -0.056 0.000 1.144 300 N HN 0.560 nan 8.380 nan 0.000 0.500 301 P HA 0.109 nan 4.420 nan 0.000 0.228 301 P C -0.534 176.765 177.300 -0.001 0.000 1.748 301 P CA 0.197 63.285 63.100 -0.020 0.000 0.909 301 P CB -0.128 31.555 31.700 -0.028 0.000 1.882 302 R N -2.111 118.401 120.500 0.020 0.000 2.855 302 R HA 0.467 4.806 4.340 -0.002 0.000 0.274 302 R C -0.552 175.804 176.300 0.093 0.000 0.997 302 R CA -1.110 55.018 56.100 0.047 0.000 0.856 302 R CB -0.112 30.207 30.300 0.033 0.000 1.378 302 R HN -0.155 nan 8.270 nan 0.000 0.462 303 V N -0.336 119.666 119.914 0.146 0.000 3.185 303 V HA 0.727 4.845 4.120 -0.002 0.000 0.305 303 V C 0.228 176.513 176.094 0.318 0.000 1.090 303 V CA 0.436 62.855 62.300 0.200 0.000 1.107 303 V CB 1.166 33.109 31.823 0.200 0.000 1.061 303 V HN 1.024 nan 8.190 nan 0.000 0.480 304 S N 2.277 118.109 115.700 0.221 0.000 2.790 304 S HA 0.468 4.937 4.470 -0.002 0.000 0.292 304 S C 0.702 175.285 174.600 -0.028 0.000 1.197 304 S CA -0.455 57.865 58.200 0.200 0.000 0.851 304 S CB 1.510 64.801 63.200 0.151 0.000 1.217 304 S HN 1.131 nan 8.310 nan 0.000 0.526 305 R N 0.285 120.765 120.500 -0.033 0.000 2.189 305 R HA 0.146 4.485 4.340 -0.002 0.000 0.218 305 R C 1.430 177.718 176.300 -0.021 0.000 1.074 305 R CA 1.592 57.636 56.100 -0.093 0.000 0.991 305 R CB -0.766 29.496 30.300 -0.063 0.000 0.883 305 R HN 0.420 nan 8.270 nan 0.000 0.457 306 S N 1.001 116.715 115.700 0.023 0.000 2.395 306 S HA -0.096 4.372 4.470 -0.002 0.000 0.225 306 S C 1.963 176.591 174.600 0.047 0.000 1.027 306 S CA 1.166 59.388 58.200 0.036 0.000 0.965 306 S CB 0.092 63.317 63.200 0.042 0.000 0.812 306 S HN 0.640 nan 8.310 nan 0.000 0.482 307 S N 2.106 117.842 115.700 0.060 0.000 2.387 307 S HA 0.072 4.541 4.470 -0.002 0.000 0.226 307 S C 2.017 176.696 174.600 0.132 0.000 1.026 307 S CA 0.917 59.170 58.200 0.088 0.000 0.972 307 S CB -0.429 62.829 63.200 0.097 0.000 0.814 307 S HN 0.438 nan 8.310 nan 0.000 0.477 308 A N 1.724 124.609 122.820 0.109 0.000 1.898 308 A HA 0.143 4.462 4.320 -0.002 0.000 0.216 308 A C 2.245 179.848 177.584 0.031 0.000 1.181 308 A CA 1.472 53.594 52.037 0.141 0.000 0.620 308 A CB -0.913 18.102 19.000 0.024 0.000 0.819 308 A HN 0.597 nan 8.150 nan 0.000 0.442 309 L N -0.172 121.060 121.223 0.015 0.000 2.046 309 L HA -0.034 4.305 4.340 -0.002 0.000 0.208 309 L C 2.610 179.510 176.870 0.049 0.000 1.077 309 L CA 2.194 57.043 54.840 0.016 0.000 0.747 309 L CB -0.711 41.358 42.059 0.016 0.000 0.896 309 L HN 0.320 nan 8.230 nan 0.000 0.432 310 A N -1.144 121.717 122.820 0.069 0.000 1.940 310 A HA -0.209 4.109 4.320 -0.002 0.000 0.219 310 A C 2.363 180.028 177.584 0.134 0.000 1.176 310 A CA 2.118 54.203 52.037 0.080 0.000 0.631 310 A CB -0.988 18.044 19.000 0.053 0.000 0.814 310 A HN 0.575 nan 8.150 nan 0.000 0.446 311 S N -0.309 115.504 115.700 0.189 0.000 2.368 311 S HA -0.115 4.354 4.470 -0.002 0.000 0.224 311 S C 2.010 176.790 174.600 0.299 0.000 1.029 311 S CA 1.619 59.999 58.200 0.299 0.000 0.988 311 S CB -0.218 63.230 63.200 0.413 0.000 0.838 311 S HN 0.476 nan 8.310 nan 0.000 0.462 312 K N 2.098 122.607 120.400 0.181 0.000 2.057 312 K HA 0.193 4.511 4.320 -0.002 0.000 0.206 312 K C 2.158 178.841 176.600 0.138 0.000 1.050 312 K CA 1.245 57.626 56.287 0.158 0.000 0.935 312 K CB -0.939 31.576 32.500 0.025 0.000 0.715 312 K HN 0.316 nan 8.250 nan 0.000 0.439 313 A N 0.027 122.895 122.820 0.081 0.000 1.930 313 A HA -0.137 4.182 4.320 -0.002 0.000 0.217 313 A C 2.110 179.814 177.584 0.200 0.000 1.175 313 A CA 2.320 54.408 52.037 0.086 0.000 0.627 313 A CB -0.759 18.287 19.000 0.076 0.000 0.815 313 A HN 0.489 nan 8.150 nan 0.000 0.443 314 T N -5.937 108.745 114.554 0.213 0.000 3.015 314 T HA 0.431 4.780 4.350 -0.002 0.000 0.250 314 T C 1.492 176.383 174.700 0.318 0.000 1.057 314 T CA 1.110 63.350 62.100 0.234 0.000 1.066 314 T CB 0.425 69.401 68.868 0.180 0.000 0.959 314 T HN 1.653 nan 8.240 nan 0.000 0.488 315 G N 1.108 110.149 108.800 0.401 0.000 2.195 315 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.246 315 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.246 315 G C -0.178 175.009 174.900 0.479 0.000 0.984 315 G CA -0.070 45.313 45.100 0.473 0.000 0.633 315 G HN 0.615 nan 8.290 nan 0.000 0.525 316 F N 4.095 124.215 119.950 0.284 0.000 2.413 316 F HA 0.587 5.112 4.527 -0.002 0.000 0.359 316 F C -1.857 174.091 175.800 0.247 0.000 1.122 316 F CA -2.956 55.191 58.000 0.244 0.000 1.160 316 F CB 1.433 40.502 39.000 0.115 0.000 1.146 316 F HN -0.068 nan 8.300 nan 0.000 0.514 317 P HA 0.137 nan 4.420 nan 0.000 0.238 317 P C 1.303 178.762 177.300 0.264 0.000 1.794 317 P CA 0.214 63.486 63.100 0.287 0.000 1.088 317 P CB -0.170 31.624 31.700 0.157 0.000 1.923 318 I N 1.504 122.330 120.570 0.428 0.000 2.103 318 I HA -0.397 3.772 4.170 -0.002 0.000 0.241 318 I C 2.248 178.474 176.117 0.181 0.000 1.036 318 I CA 2.264 63.775 61.300 0.352 0.000 1.300 318 I CB -1.201 36.936 38.000 0.228 0.000 1.010 318 I HN 0.196 nan 8.210 nan 0.000 0.406 319 A N 0.434 123.300 122.820 0.076 0.000 1.908 319 A HA -0.221 4.098 4.320 -0.002 0.000 0.218 319 A C 2.373 179.949 177.584 -0.013 0.000 1.181 319 A CA 1.719 53.755 52.037 -0.001 0.000 0.627 319 A CB -0.495 18.439 19.000 -0.110 0.000 0.818 319 A HN 0.369 nan 8.150 nan 0.000 0.445 320 K N -0.552 119.829 120.400 -0.032 0.000 2.002 320 K HA -0.089 4.229 4.320 -0.002 0.000 0.209 320 K C 1.973 178.567 176.600 -0.009 0.000 1.048 320 K CA 1.538 57.803 56.287 -0.037 0.000 0.930 320 K CB -0.489 31.983 32.500 -0.047 0.000 0.714 320 K HN 0.323 nan 8.250 nan 0.000 0.438 321 V N 1.338 121.267 119.914 0.026 0.000 2.358 321 V HA -0.228 3.891 4.120 -0.002 0.000 0.246 321 V C 2.356 178.499 176.094 0.082 0.000 1.047 321 V CA 1.941 64.269 62.300 0.048 0.000 1.035 321 V CB -0.574 31.328 31.823 0.132 0.000 0.658 321 V HN 0.349 nan 8.190 nan 0.000 0.452 322 A N -0.148 122.729 122.820 0.096 0.000 1.972 322 A HA -0.078 4.240 4.320 -0.002 0.000 0.219 322 A C 2.418 180.034 177.584 0.053 0.000 1.169 322 A CA 1.881 53.967 52.037 0.082 0.000 0.635 322 A CB -0.655 18.392 19.000 0.078 0.000 0.810 322 A HN 0.556 nan 8.150 nan 0.000 0.446 323 A N 0.070 122.907 122.820 0.029 0.000 1.883 323 A HA -0.189 4.130 4.320 -0.002 0.000 0.217 323 A C 2.127 179.725 177.584 0.023 0.000 1.186 323 A CA 1.858 53.899 52.037 0.007 0.000 0.624 323 A CB -0.453 18.539 19.000 -0.013 0.000 0.822 323 A HN 0.533 nan 8.150 nan 0.000 0.444 324 K N -1.007 119.422 120.400 0.049 0.000 2.057 324 K HA -0.075 4.244 4.320 -0.002 0.000 0.207 324 K C 1.745 178.495 176.600 0.249 0.000 1.049 324 K CA 1.179 57.549 56.287 0.139 0.000 0.931 324 K CB -0.331 32.141 32.500 -0.047 0.000 0.714 324 K HN 0.294 nan 8.250 nan 0.000 0.440 325 L N 0.793 122.110 121.223 0.156 0.000 2.191 325 L HA -0.116 4.223 4.340 -0.002 0.000 0.212 325 L C 2.199 179.128 176.870 0.098 0.000 1.103 325 L CA 1.419 56.352 54.840 0.155 0.000 0.769 325 L CB -0.756 41.372 42.059 0.116 0.000 0.908 325 L HN 0.130 nan 8.230 nan 0.000 0.438 326 A N -0.942 121.913 122.820 0.057 0.000 2.066 326 A HA -0.053 4.266 4.320 -0.002 0.000 0.218 326 A C 1.738 179.313 177.584 -0.016 0.000 1.157 326 A CA 1.252 53.297 52.037 0.013 0.000 0.670 326 A CB -0.629 18.364 19.000 -0.011 0.000 0.804 326 A HN 0.296 nan 8.150 nan 0.000 0.453 327 V N -4.068 115.838 119.914 -0.012 0.000 3.252 327 V HA 0.599 4.718 4.120 -0.002 0.000 0.350 327 V C 1.034 177.110 176.094 -0.030 0.000 1.329 327 V CA 0.602 62.866 62.300 -0.059 0.000 1.258 327 V CB -0.888 30.799 31.823 -0.228 0.000 1.208 327 V HN 1.264 nan 8.190 nan 0.000 0.462 328 G N -0.525 108.266 108.800 -0.015 0.000 2.284 328 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.230 328 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.230 328 G C -0.041 174.807 174.900 -0.087 0.000 1.021 328 G CA 0.130 45.186 45.100 -0.073 0.000 0.619 328 G HN 0.576 nan 8.290 nan 0.000 0.510 329 Y N 2.452 122.783 120.300 0.051 0.000 2.607 329 Y HA 0.398 4.947 4.550 -0.002 0.000 0.348 329 Y C 1.580 177.509 175.900 0.049 0.000 1.261 329 Y CA 1.142 59.273 58.100 0.052 0.000 1.480 329 Y CB 0.553 39.046 38.460 0.054 0.000 1.358 329 Y HN 0.372 nan 8.280 nan 0.000 0.630 330 T N -1.289 113.423 114.554 0.264 0.000 2.932 330 T HA 0.431 4.780 4.350 -0.002 0.000 0.289 330 T C 0.782 175.581 174.700 0.165 0.000 1.039 330 T CA -0.952 61.248 62.100 0.167 0.000 1.024 330 T CB 1.069 70.007 68.868 0.117 0.000 1.090 330 T HN 0.578 nan 8.240 nan 0.000 0.496 331 L N 0.965 122.271 121.223 0.139 0.000 2.042 331 L HA -0.107 4.232 4.340 -0.002 0.000 0.210 331 L C 2.643 179.586 176.870 0.123 0.000 1.076 331 L CA 1.870 56.795 54.840 0.142 0.000 0.749 331 L CB -0.718 41.437 42.059 0.161 0.000 0.893 331 L HN 0.832 nan 8.230 nan 0.000 0.432 332 D N 0.035 120.500 120.400 0.108 0.000 2.182 332 D HA -0.241 4.398 4.640 -0.002 0.000 0.201 332 D C 1.578 177.921 176.300 0.073 0.000 0.986 332 D CA 1.409 55.460 54.000 0.084 0.000 0.847 332 D CB -0.403 40.440 40.800 0.073 0.000 0.942 332 D HN 0.488 nan 8.370 nan 0.000 0.467 333 E N -0.262 119.998 120.200 0.099 0.000 2.371 333 E HA 0.144 4.493 4.350 -0.002 0.000 0.194 333 E C 0.518 177.152 176.600 0.057 0.000 1.012 333 E CA -0.057 56.407 56.400 0.107 0.000 0.860 333 E CB 0.383 30.210 29.700 0.211 0.000 0.811 333 E HN 0.326 nan 8.360 nan 0.000 0.502 334 L N 1.453 122.695 121.223 0.031 0.000 2.343 334 L HA 0.281 4.620 4.340 -0.002 0.000 0.275 334 L C 0.061 176.906 176.870 -0.043 0.000 1.056 334 L CA -0.786 54.025 54.840 -0.049 0.000 0.804 334 L CB 0.939 42.957 42.059 -0.069 0.000 1.203 334 L HN -0.016 nan 8.230 nan 0.000 0.440 335 M N 2.154 121.708 119.600 -0.077 0.000 2.277 335 M HA 0.202 4.681 4.480 -0.002 0.000 0.350 335 M C -0.216 176.018 176.300 -0.109 0.000 1.180 335 M CA -0.805 54.443 55.300 -0.087 0.000 1.103 335 M CB 0.679 33.230 32.600 -0.081 0.000 1.577 335 M HN 0.367 nan 8.290 nan 0.000 0.459 336 N N 2.050 120.669 118.700 -0.135 0.000 2.405 336 N HA 0.022 4.761 4.740 -0.002 0.000 0.260 336 N C 0.398 175.831 175.510 -0.128 0.000 1.152 336 N CA 0.278 53.242 53.050 -0.145 0.000 0.948 336 N CB 0.461 38.817 38.487 -0.218 0.000 1.111 336 N HN 0.398 nan 8.380 nan 0.000 0.485 337 D N 2.605 122.946 120.400 -0.098 0.000 2.116 337 D HA -0.206 4.433 4.640 -0.002 0.000 0.193 337 D C 1.539 177.753 176.300 -0.144 0.000 0.998 337 D CA 1.513 55.469 54.000 -0.074 0.000 0.836 337 D CB -0.132 40.688 40.800 0.034 0.000 0.951 337 D HN 0.823 nan 8.370 nan 0.000 0.449 338 I N -1.317 119.139 120.570 -0.191 0.000 3.564 338 I HA 0.049 4.218 4.170 -0.002 0.000 0.294 338 I C 0.629 176.686 176.117 -0.100 0.000 1.289 338 I CA 0.670 61.849 61.300 -0.201 0.000 1.325 338 I CB -0.211 37.608 38.000 -0.301 0.000 1.039 338 I HN -0.164 nan 8.210 nan 0.000 0.474 339 T N -2.318 112.174 114.554 -0.104 0.000 3.248 339 T HA 0.480 4.829 4.350 -0.002 0.000 0.271 339 T C 1.298 175.949 174.700 -0.081 0.000 1.005 339 T CA 0.023 62.074 62.100 -0.083 0.000 0.902 339 T CB 0.113 68.885 68.868 -0.159 0.000 1.102 339 T HN 0.565 nan 8.240 nan 0.000 0.548 340 G N 1.076 109.833 108.800 -0.073 0.000 2.258 340 G HA2 0.023 3.982 3.960 -0.002 0.000 0.274 340 G HA3 0.023 3.982 3.960 -0.002 0.000 0.274 340 G C 1.166 176.026 174.900 -0.066 0.000 1.021 340 G CA 0.304 45.371 45.100 -0.055 0.000 0.798 340 G HN 1.828 nan 8.290 nan 0.000 0.507 341 G N -1.223 107.521 108.800 -0.094 0.000 2.168 341 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.263 341 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.263 341 G C 1.062 175.894 174.900 -0.112 0.000 0.977 341 G CA 1.180 46.222 45.100 -0.098 0.000 0.659 341 G HN 0.978 nan 8.290 nan 0.000 0.533 342 R N 0.262 120.682 120.500 -0.133 0.000 2.299 342 R HA 0.158 4.497 4.340 -0.002 0.000 0.197 342 R C 0.966 177.128 176.300 -0.231 0.000 0.971 342 R CA 1.259 57.276 56.100 -0.138 0.000 1.030 342 R CB 0.112 30.354 30.300 -0.097 0.000 0.932 342 R HN 0.640 nan 8.270 nan 0.000 0.477 343 T N -1.279 113.090 114.554 -0.309 0.000 2.893 343 T HA 0.446 4.795 4.350 -0.002 0.000 0.293 343 T C -2.884 171.639 174.700 -0.296 0.000 1.027 343 T CA -2.537 59.309 62.100 -0.423 0.000 0.988 343 T CB 2.997 71.398 68.868 -0.779 0.000 1.043 343 T HN -0.249 nan 8.240 nan 0.000 0.461 344 P HA 0.367 nan 4.420 nan 0.000 0.275 344 P C 0.440 177.757 177.300 0.028 0.000 1.266 344 P CA -0.527 62.531 63.100 -0.069 0.000 0.793 344 P CB 0.406 32.107 31.700 0.002 0.000 1.074 345 A N -0.017 122.879 122.820 0.126 0.000 2.238 345 A HA 0.036 4.355 4.320 -0.002 0.000 0.210 345 A C 1.101 178.973 177.584 0.481 0.000 1.179 345 A CA 0.436 52.638 52.037 0.274 0.000 0.827 345 A CB -1.140 17.892 19.000 0.052 0.000 0.856 345 A HN 0.540 nan 8.150 nan 0.000 0.488 346 S N 1.019 116.919 115.700 0.334 0.000 4.120 346 S HA 0.492 4.961 4.470 -0.002 0.000 0.215 346 S C -0.295 174.532 174.600 0.378 0.000 1.347 346 S CA -0.470 57.901 58.200 0.285 0.000 0.889 346 S CB -1.440 61.863 63.200 0.172 0.000 1.585 346 S HN 0.774 nan 8.310 nan 0.000 0.447 347 F N -1.906 118.142 119.950 0.163 0.000 2.741 347 F HA 0.679 5.205 4.527 -0.002 0.000 0.313 347 F C -1.189 174.682 175.800 0.119 0.000 1.153 347 F CA -1.543 56.528 58.000 0.118 0.000 0.931 347 F CB 0.785 39.840 39.000 0.092 0.000 1.335 347 F HN 0.121 nan 8.300 nan 0.000 0.460 348 E N 2.611 122.712 120.200 -0.165 0.000 2.113 348 E HA 0.410 4.759 4.350 -0.002 0.000 0.273 348 E C -2.573 173.908 176.600 -0.199 0.000 0.924 348 E CA -1.973 54.260 56.400 -0.279 0.000 0.764 348 E CB 1.518 31.176 29.700 -0.070 0.000 1.104 348 E HN 0.324 nan 8.360 nan 0.000 0.406 349 P HA -0.008 nan 4.420 nan 0.000 0.269 349 P C -0.783 176.549 177.300 0.055 0.000 1.215 349 P CA -0.153 62.953 63.100 0.011 0.000 0.780 349 P CB 0.742 32.452 31.700 0.017 0.000 0.898 350 S N 1.241 117.010 115.700 0.115 0.000 2.594 350 S HA 0.666 5.135 4.470 -0.002 0.000 0.296 350 S C -0.599 173.961 174.600 -0.067 0.000 1.124 350 S CA -0.810 57.398 58.200 0.014 0.000 1.011 350 S CB -0.116 63.110 63.200 0.044 0.000 1.016 350 S HN 0.382 nan 8.310 nan 0.000 0.485 351 I N 2.161 122.601 120.570 -0.217 0.000 2.441 351 I HA 0.665 4.834 4.170 -0.002 0.000 0.295 351 I C -0.593 175.261 176.117 -0.438 0.000 0.994 351 I CA -0.783 60.200 61.300 -0.528 0.000 1.144 351 I CB 1.909 39.353 38.000 -0.926 0.000 1.314 351 I HN 0.504 nan 8.210 nan 0.000 0.445 352 D N 5.910 126.054 120.400 -0.425 0.000 2.895 352 D HA 0.260 4.899 4.640 -0.002 0.000 0.258 352 D C -0.615 175.717 176.300 0.053 0.000 1.311 352 D CA -0.120 53.816 54.000 -0.106 0.000 0.843 352 D CB -0.324 40.502 40.800 0.044 0.000 1.055 352 D HN 0.705 nan 8.370 nan 0.000 0.486 353 Y N -3.509 116.791 120.300 0.000 0.000 2.818 353 Y HA 0.610 5.159 4.550 -0.002 0.000 0.341 353 Y C -1.672 174.201 175.900 -0.045 0.000 1.283 353 Y CA -1.724 56.354 58.100 -0.036 0.000 1.075 353 Y CB 0.616 38.965 38.460 -0.184 0.000 1.370 353 Y HN -0.212 nan 8.280 nan 0.000 0.448 354 V N 1.978 122.033 119.914 0.235 0.000 2.448 354 V HA 0.639 4.758 4.120 -0.002 0.000 0.295 354 V C -0.758 175.416 176.094 0.133 0.000 1.025 354 V CA -0.861 61.544 62.300 0.174 0.000 0.859 354 V CB 1.399 33.335 31.823 0.188 0.000 0.988 354 V HN 0.658 nan 8.190 nan 0.000 0.431 355 V N 3.917 123.910 119.914 0.131 0.000 2.398 355 V HA 0.549 4.667 4.120 -0.002 0.000 0.286 355 V C 0.193 176.325 176.094 0.065 0.000 1.026 355 V CA -0.151 62.183 62.300 0.056 0.000 0.868 355 V CB 1.844 33.703 31.823 0.061 0.000 0.982 355 V HN 0.955 nan 8.190 nan 0.000 0.443 356 T N 5.450 120.023 114.554 0.032 0.000 2.824 356 T HA 0.434 4.783 4.350 -0.002 0.000 0.282 356 T C -0.559 174.142 174.700 0.001 0.000 0.993 356 T CA -0.647 61.469 62.100 0.027 0.000 0.967 356 T CB 1.519 70.394 68.868 0.011 0.000 0.960 356 T HN 0.634 nan 8.240 nan 0.000 0.441 357 K N 4.053 124.446 120.400 -0.012 0.000 2.270 357 K HA 0.606 4.925 4.320 -0.002 0.000 0.255 357 K C -1.461 175.102 176.600 -0.061 0.000 0.936 357 K CA -0.669 55.608 56.287 -0.017 0.000 0.809 357 K CB 1.183 33.683 32.500 0.001 0.000 1.131 357 K HN 0.614 nan 8.250 nan 0.000 0.427 358 I N 5.580 126.110 120.570 -0.066 0.000 2.466 358 I HA 0.312 4.481 4.170 -0.002 0.000 0.289 358 I C -2.282 173.782 176.117 -0.087 0.000 1.026 358 I CA -2.638 58.606 61.300 -0.094 0.000 1.078 358 I CB 2.335 40.261 38.000 -0.124 0.000 1.249 358 I HN 0.466 nan 8.210 nan 0.000 0.429 359 P HA 0.222 nan 4.420 nan 0.000 0.274 359 P C -1.016 176.069 177.300 -0.358 0.000 1.231 359 P CA -0.542 62.384 63.100 -0.290 0.000 0.790 359 P CB 0.738 32.176 31.700 -0.437 0.000 0.951 360 R N 1.915 122.164 120.500 -0.418 0.000 2.445 360 R HA 0.633 4.972 4.340 -0.002 0.000 0.308 360 R C -1.335 174.704 176.300 -0.435 0.000 0.961 360 R CA -0.420 55.528 56.100 -0.254 0.000 0.862 360 R CB -0.007 30.224 30.300 -0.115 0.000 1.144 360 R HN 0.278 nan 8.270 nan 0.000 0.447 361 F N 1.586 121.537 119.950 0.002 0.000 2.594 361 F HA 0.469 4.995 4.527 -0.002 0.000 0.335 361 F C 0.699 176.432 175.800 -0.112 0.000 1.058 361 F CA -0.728 57.201 58.000 -0.118 0.000 0.981 361 F CB 2.047 40.971 39.000 -0.126 0.000 1.289 361 F HN 0.587 nan 8.300 nan 0.000 0.490 362 N N -0.036 118.660 118.700 -0.007 0.000 2.547 362 N HA 0.187 4.925 4.740 -0.002 0.000 0.285 362 N C 0.405 175.941 175.510 0.043 0.000 1.600 362 N CA 0.010 53.082 53.050 0.036 0.000 0.872 362 N CB 0.185 38.731 38.487 0.099 0.000 1.412 362 N HN 0.362 nan 8.380 nan 0.000 0.489 363 F N 1.867 121.910 119.950 0.155 0.000 2.192 363 F HA -0.228 4.298 4.527 -0.002 0.000 0.301 363 F C 2.726 178.516 175.800 -0.017 0.000 1.079 363 F CA 1.118 59.154 58.000 0.060 0.000 1.303 363 F CB -0.069 38.947 39.000 0.026 0.000 1.024 363 F HN 0.345 nan 8.300 nan 0.000 0.494 364 E N 1.067 121.346 120.200 0.131 0.000 2.333 364 E HA -0.208 4.141 4.350 -0.002 0.000 0.198 364 E C 1.479 178.003 176.600 -0.128 0.000 1.007 364 E CA 1.122 57.529 56.400 0.011 0.000 0.845 364 E CB -0.617 29.080 29.700 -0.005 0.000 0.766 364 E HN 0.420 nan 8.360 nan 0.000 0.507 365 K N -0.049 120.167 120.400 -0.306 0.000 2.305 365 K HA 0.050 4.369 4.320 -0.002 0.000 0.199 365 K C 0.074 176.122 176.600 -0.919 0.000 1.047 365 K CA 0.501 56.361 56.287 -0.712 0.000 0.976 365 K CB 0.089 31.953 32.500 -1.059 0.000 0.765 365 K HN 0.132 nan 8.250 nan 0.000 0.474 366 F N 0.024 119.896 119.950 -0.129 0.000 2.530 366 F HA 0.359 4.885 4.527 -0.002 0.000 0.318 366 F C 1.149 176.908 175.800 -0.068 0.000 1.356 366 F CA -0.789 57.130 58.000 -0.136 0.000 1.135 366 F CB 0.343 39.066 39.000 -0.463 0.000 1.315 366 F HN -0.152 nan 8.300 nan 0.000 0.549 367 A N 1.223 124.072 122.820 0.047 0.000 1.909 367 A HA -0.230 4.089 4.320 -0.002 0.000 0.221 367 A C 2.455 180.067 177.584 0.047 0.000 1.223 367 A CA 2.353 54.411 52.037 0.035 0.000 0.658 367 A CB -1.220 17.782 19.000 0.003 0.000 0.831 367 A HN 0.704 nan 8.150 nan 0.000 0.462 368 G N -1.184 107.655 108.800 0.065 0.000 2.848 368 G HA2 0.371 4.329 3.960 -0.002 0.000 0.208 368 G HA3 0.371 4.329 3.960 -0.002 0.000 0.208 368 G C 0.601 175.548 174.900 0.079 0.000 1.152 368 G CA 0.719 45.853 45.100 0.057 0.000 0.789 368 G HN 0.904 nan 8.290 nan 0.000 0.531 369 A N 0.448 123.339 122.820 0.118 0.000 2.386 369 A HA 0.401 4.720 4.320 -0.002 0.000 0.248 369 A C 0.566 178.202 177.584 0.086 0.000 1.082 369 A CA -0.570 51.565 52.037 0.164 0.000 0.789 369 A CB 0.311 19.440 19.000 0.216 0.000 1.025 369 A HN 0.273 nan 8.150 nan 0.000 0.490 370 N N 1.087 119.846 118.700 0.098 0.000 2.475 370 N HA 0.001 4.739 4.740 -0.002 0.000 0.267 370 N C -0.479 174.972 175.510 -0.098 0.000 1.169 370 N CA 0.189 53.238 53.050 -0.003 0.000 0.947 370 N CB 0.971 39.477 38.487 0.031 0.000 1.061 370 N HN 0.606 nan 8.380 nan 0.000 0.466 371 D N 2.185 122.364 120.400 -0.369 0.000 2.388 371 D HA 0.080 4.719 4.640 -0.002 0.000 0.221 371 D C -0.157 175.688 176.300 -0.759 0.000 1.133 371 D CA -0.153 53.237 54.000 -1.018 0.000 0.831 371 D CB 0.180 40.332 40.800 -1.081 0.000 0.962 371 D HN 0.200 nan 8.370 nan 0.000 0.502 372 R N 0.699 121.001 120.500 -0.330 0.000 2.404 372 R HA 0.426 4.765 4.340 -0.002 0.000 0.291 372 R C 0.232 176.501 176.300 -0.052 0.000 1.025 372 R CA -0.706 55.286 56.100 -0.180 0.000 0.991 372 R CB 1.210 31.449 30.300 -0.102 0.000 1.053 372 R HN 0.181 nan 8.270 nan 0.000 0.479 373 L N 1.175 122.392 121.223 -0.010 0.000 2.380 373 L HA 0.318 4.657 4.340 -0.002 0.000 0.273 373 L C 1.208 178.148 176.870 0.117 0.000 1.138 373 L CA 0.089 54.988 54.840 0.099 0.000 0.832 373 L CB 0.910 43.042 42.059 0.121 0.000 1.124 373 L HN 0.618 nan 8.230 nan 0.000 0.454 374 T N -1.103 113.542 114.554 0.150 0.000 2.572 374 T HA 0.188 4.537 4.350 -0.002 0.000 0.274 374 T C 0.980 175.769 174.700 0.149 0.000 0.949 374 T CA 0.383 62.563 62.100 0.134 0.000 1.126 374 T CB 1.240 70.176 68.868 0.114 0.000 1.478 374 T HN 0.731 nan 8.240 nan 0.000 0.492 375 T N -0.539 114.087 114.554 0.119 0.000 3.088 375 T HA 0.174 4.523 4.350 -0.002 0.000 0.259 375 T C 0.734 175.528 174.700 0.157 0.000 1.122 375 T CA 0.415 62.603 62.100 0.147 0.000 1.095 375 T CB -0.112 68.810 68.868 0.091 0.000 0.930 375 T HN 0.485 nan 8.240 nan 0.000 0.508 376 Q N 1.249 121.090 119.800 0.069 0.000 2.331 376 Q HA 0.388 4.727 4.340 -0.002 0.000 0.257 376 Q C -0.586 175.375 176.000 -0.064 0.000 0.957 376 Q CA -0.474 55.311 55.803 -0.030 0.000 0.923 376 Q CB 0.820 29.532 28.738 -0.045 0.000 1.212 376 Q HN 0.446 nan 8.270 nan 0.000 0.443 377 M N 3.589 123.049 119.600 -0.232 0.000 2.250 377 M HA -0.037 4.442 4.480 -0.002 0.000 0.337 377 M C 0.497 176.750 176.300 -0.079 0.000 1.161 377 M CA 1.227 56.424 55.300 -0.171 0.000 1.088 377 M CB 0.485 32.896 32.600 -0.315 0.000 1.639 377 M HN 0.550 nan 8.290 nan 0.000 0.447 378 K N 0.004 120.455 120.400 0.086 0.000 2.517 378 K HA 0.112 4.431 4.320 -0.002 0.000 0.210 378 K C -0.066 176.627 176.600 0.155 0.000 1.166 378 K CA -0.144 56.219 56.287 0.126 0.000 1.030 378 K CB 0.855 33.617 32.500 0.436 0.000 0.974 378 K HN 0.765 nan 8.250 nan 0.000 0.585 379 S N 0.009 115.724 115.700 0.026 0.000 2.617 379 S HA 0.173 4.642 4.470 -0.002 0.000 0.269 379 S C 1.068 175.561 174.600 -0.178 0.000 1.292 379 S CA -0.667 57.351 58.200 -0.303 0.000 1.010 379 S CB 1.637 64.369 63.200 -0.779 0.000 0.944 379 S HN 0.021 nan 8.310 nan 0.000 0.536 380 V N -1.653 118.156 119.914 -0.175 0.000 3.528 380 V HA 0.677 4.795 4.120 -0.002 0.000 0.294 380 V C 0.719 176.755 176.094 -0.096 0.000 1.404 380 V CA 0.584 62.832 62.300 -0.087 0.000 1.065 380 V CB -0.686 31.127 31.823 -0.017 0.000 0.904 380 V HN 1.216 nan 8.190 nan 0.000 0.435 381 G N 0.431 109.144 108.800 -0.146 0.000 2.489 381 G HA2 0.627 4.586 3.960 -0.002 0.000 0.305 381 G HA3 0.627 4.586 3.960 -0.002 0.000 0.305 381 G C -1.789 173.030 174.900 -0.136 0.000 1.311 381 G CA -0.056 44.980 45.100 -0.107 0.000 0.813 381 G HN 0.657 nan 8.290 nan 0.000 0.480 382 E N -1.791 118.355 120.200 -0.091 0.000 2.390 382 E HA 0.587 4.936 4.350 -0.002 0.000 0.280 382 E C -2.044 174.533 176.600 -0.038 0.000 0.992 382 E CA -0.920 55.431 56.400 -0.081 0.000 0.790 382 E CB 2.355 32.012 29.700 -0.072 0.000 1.248 382 E HN 0.731 nan 8.360 nan 0.000 0.447 383 V N 2.643 122.544 119.914 -0.022 0.000 2.715 383 V HA 0.694 4.813 4.120 -0.002 0.000 0.310 383 V C -0.770 175.360 176.094 0.059 0.000 1.054 383 V CA -0.699 61.611 62.300 0.017 0.000 0.928 383 V CB 1.808 33.637 31.823 0.010 0.000 1.007 383 V HN 0.825 nan 8.190 nan 0.000 0.437 384 M N 5.550 125.246 119.600 0.161 0.000 2.518 384 M HA 0.871 5.350 4.480 -0.002 0.000 0.300 384 M C -1.229 175.254 176.300 0.304 0.000 1.175 384 M CA -0.458 54.970 55.300 0.213 0.000 0.890 384 M CB 2.065 34.812 32.600 0.246 0.000 1.710 384 M HN 0.810 nan 8.290 nan 0.000 0.453 385 A N 4.277 127.182 122.820 0.141 0.000 2.539 385 A HA 0.841 5.160 4.320 -0.002 0.000 0.296 385 A C -1.695 175.871 177.584 -0.029 0.000 1.073 385 A CA -0.743 51.371 52.037 0.128 0.000 0.700 385 A CB 1.555 20.608 19.000 0.089 0.000 1.296 385 A HN 0.859 nan 8.150 nan 0.000 0.405 386 I N 1.097 121.609 120.570 -0.097 0.000 2.433 386 I HA 0.664 4.833 4.170 -0.002 0.000 0.292 386 I C 0.558 176.538 176.117 -0.229 0.000 1.001 386 I CA -0.440 60.642 61.300 -0.363 0.000 1.119 386 I CB 2.245 39.682 38.000 -0.939 0.000 1.289 386 I HN 0.795 nan 8.210 nan 0.000 0.438 387 G N 4.070 112.768 108.800 -0.169 0.000 2.672 387 G HA2 0.396 4.355 3.960 -0.002 0.000 0.292 387 G HA3 0.396 4.355 3.960 -0.002 0.000 0.292 387 G C 0.108 175.054 174.900 0.076 0.000 1.375 387 G CA -0.532 44.581 45.100 0.023 0.000 0.890 387 G HN 0.460 nan 8.290 nan 0.000 0.476 388 R N -0.852 119.760 120.500 0.188 0.000 2.193 388 R HA 0.065 4.404 4.340 -0.002 0.000 0.213 388 R C 0.984 177.380 176.300 0.161 0.000 1.055 388 R CA 1.293 57.518 56.100 0.209 0.000 0.995 388 R CB -0.050 30.383 30.300 0.221 0.000 0.893 388 R HN 0.708 nan 8.270 nan 0.000 0.459 389 T N -4.194 110.444 114.554 0.140 0.000 2.883 389 T HA 0.171 4.520 4.350 -0.002 0.000 0.296 389 T C 0.676 175.456 174.700 0.134 0.000 1.117 389 T CA -0.875 61.304 62.100 0.132 0.000 1.006 389 T CB 2.262 71.190 68.868 0.101 0.000 1.191 389 T HN -0.187 nan 8.240 nan 0.000 0.508 390 Q N 0.496 120.394 119.800 0.163 0.000 2.135 390 Q HA -0.147 4.192 4.340 -0.002 0.000 0.204 390 Q C 2.149 178.219 176.000 0.117 0.000 0.981 390 Q CA 2.074 57.992 55.803 0.192 0.000 0.856 390 Q CB -0.484 28.413 28.738 0.264 0.000 0.902 390 Q HN 0.796 nan 8.270 nan 0.000 0.425 391 Q N -0.258 119.576 119.800 0.057 0.000 2.050 391 Q HA -0.202 4.137 4.340 -0.002 0.000 0.202 391 Q C 2.020 178.022 176.000 0.003 0.000 0.980 391 Q CA 1.639 57.454 55.803 0.021 0.000 0.840 391 Q CB -0.121 28.608 28.738 -0.016 0.000 0.898 391 Q HN 0.579 nan 8.270 nan 0.000 0.424 392 E N -0.212 120.004 120.200 0.027 0.000 2.072 392 E HA -0.178 4.171 4.350 -0.002 0.000 0.191 392 E C 2.046 178.668 176.600 0.037 0.000 0.985 392 E CA 1.144 57.564 56.400 0.033 0.000 0.801 392 E CB -0.036 29.715 29.700 0.085 0.000 0.750 392 E HN 0.119 nan 8.360 nan 0.000 0.452 393 S N -0.065 115.668 115.700 0.054 0.000 2.356 393 S HA -0.159 4.309 4.470 -0.002 0.000 0.223 393 S C 1.920 176.528 174.600 0.014 0.000 1.032 393 S CA 1.161 59.387 58.200 0.042 0.000 1.005 393 S CB -0.313 62.929 63.200 0.069 0.000 0.867 393 S HN 0.357 nan 8.310 nan 0.000 0.449 394 L N 1.820 123.051 121.223 0.013 0.000 2.017 394 L HA -0.065 4.274 4.340 -0.002 0.000 0.208 394 L C 2.413 179.207 176.870 -0.127 0.000 1.073 394 L CA 1.891 56.703 54.840 -0.048 0.000 0.745 394 L CB -0.762 41.306 42.059 0.015 0.000 0.894 394 L HN 0.348 nan 8.230 nan 0.000 0.432 395 Q N -0.537 119.196 119.800 -0.111 0.000 2.119 395 Q HA -0.209 4.130 4.340 -0.002 0.000 0.201 395 Q C 2.239 178.177 176.000 -0.104 0.000 0.972 395 Q CA 1.431 57.131 55.803 -0.173 0.000 0.847 395 Q CB -0.160 28.462 28.738 -0.193 0.000 0.903 395 Q HN 0.561 nan 8.270 nan 0.000 0.433 396 K N 0.724 121.099 120.400 -0.041 0.000 2.057 396 K HA -0.113 4.206 4.320 -0.002 0.000 0.207 396 K C 2.145 178.747 176.600 0.004 0.000 1.049 396 K CA 1.153 57.447 56.287 0.012 0.000 0.931 396 K CB -0.140 32.395 32.500 0.058 0.000 0.714 396 K HN 0.131 nan 8.250 nan 0.000 0.440 397 A N 1.273 124.080 122.820 -0.022 0.000 1.902 397 A HA -0.139 4.180 4.320 -0.002 0.000 0.217 397 A C 2.093 179.643 177.584 -0.057 0.000 1.181 397 A CA 1.247 53.267 52.037 -0.027 0.000 0.623 397 A CB -0.633 18.338 19.000 -0.048 0.000 0.818 397 A HN 0.170 nan 8.150 nan 0.000 0.443 398 L N -0.264 120.882 121.223 -0.130 0.000 2.079 398 L HA -0.216 4.123 4.340 -0.002 0.000 0.210 398 L C 2.730 179.599 176.870 -0.002 0.000 1.081 398 L CA 1.851 56.618 54.840 -0.122 0.000 0.752 398 L CB -0.448 41.432 42.059 -0.298 0.000 0.896 398 L HN 0.600 nan 8.230 nan 0.000 0.433 399 R N 0.001 120.493 120.500 -0.014 0.000 2.299 399 R HA 0.019 4.358 4.340 -0.002 0.000 0.197 399 R C 1.673 177.989 176.300 0.027 0.000 0.971 399 R CA 0.965 57.078 56.100 0.021 0.000 1.030 399 R CB -0.318 29.997 30.300 0.025 0.000 0.932 399 R HN 0.222 nan 8.270 nan 0.000 0.477 400 G N 0.714 109.528 108.800 0.024 0.000 3.126 400 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.224 400 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.224 400 G C 0.977 175.887 174.900 0.018 0.000 1.142 400 G CA -0.385 44.729 45.100 0.023 0.000 0.759 400 G HN 0.182 nan 8.290 nan 0.000 0.550 401 L N 0.348 121.591 121.223 0.033 0.000 2.353 401 L HA 0.095 4.433 4.340 -0.002 0.000 0.220 401 L C 1.165 178.057 176.870 0.038 0.000 1.133 401 L CA 0.861 55.730 54.840 0.049 0.000 0.798 401 L CB -0.129 41.997 42.059 0.113 0.000 0.922 401 L HN 0.187 nan 8.230 nan 0.000 0.445 402 E N -1.066 119.146 120.200 0.021 0.000 2.586 402 E HA -0.192 4.157 4.350 -0.002 0.000 0.259 402 E C 0.854 177.454 176.600 -0.000 0.000 1.107 402 E CA 0.970 57.370 56.400 -0.001 0.000 0.754 402 E CB -2.082 27.607 29.700 -0.018 0.000 1.335 402 E HN 0.472 nan 8.360 nan 0.000 0.411 403 V N -4.403 115.518 119.914 0.011 0.000 3.427 403 V HA 0.579 4.698 4.120 -0.002 0.000 0.305 403 V C 1.391 177.444 176.094 -0.068 0.000 1.412 403 V CA 0.902 63.190 62.300 -0.021 0.000 1.086 403 V CB 0.730 32.545 31.823 -0.013 0.000 0.964 403 V HN 0.520 nan 8.190 nan 0.000 0.439 404 G N 0.165 108.939 108.800 -0.043 0.000 2.175 404 G HA2 -0.080 3.879 3.960 -0.002 0.000 0.244 404 G HA3 -0.080 3.879 3.960 -0.002 0.000 0.244 404 G C 0.422 175.286 174.900 -0.060 0.000 0.982 404 G CA 0.211 45.276 45.100 -0.059 0.000 0.641 404 G HN 1.601 nan 8.290 nan 0.000 0.527 405 A N 0.054 122.853 122.820 -0.035 0.000 2.322 405 A HA 0.772 5.091 4.320 -0.002 0.000 0.269 405 A C 1.348 178.962 177.584 0.051 0.000 1.094 405 A CA 1.200 53.245 52.037 0.012 0.000 0.807 405 A CB 0.604 19.712 19.000 0.179 0.000 1.047 405 A HN 1.446 nan 8.150 nan 0.000 0.487 406 T N -1.830 112.764 114.554 0.067 0.000 3.084 406 T HA 0.551 4.900 4.350 -0.002 0.000 0.270 406 T C 0.813 175.559 174.700 0.076 0.000 1.008 406 T CA 0.874 63.013 62.100 0.066 0.000 0.900 406 T CB -0.178 68.731 68.868 0.068 0.000 1.084 406 T HN 2.292 nan 8.240 nan 0.000 0.538 407 G N 1.584 110.431 108.800 0.078 0.000 2.286 407 G HA2 0.148 4.107 3.960 -0.002 0.000 0.118 407 G HA3 0.148 4.107 3.960 -0.002 0.000 0.118 407 G C -1.208 173.707 174.900 0.025 0.000 1.267 407 G CA -0.808 44.273 45.100 -0.030 0.000 1.171 407 G HN 0.140 nan 8.290 nan 0.000 0.465 408 F N 3.522 123.587 119.950 0.191 0.000 2.705 408 F HA 0.330 4.856 4.527 -0.002 0.000 0.355 408 F C 0.347 176.332 175.800 0.309 0.000 1.172 408 F CA -0.248 57.909 58.000 0.262 0.000 1.332 408 F CB -0.579 38.512 39.000 0.151 0.000 1.621 408 F HN 0.151 nan 8.300 nan 0.000 0.605 409 D N 2.545 123.194 120.400 0.415 0.000 2.455 409 D HA 0.061 4.700 4.640 -0.002 0.000 0.241 409 D C -2.287 174.108 176.300 0.159 0.000 1.138 409 D CA -0.946 53.169 54.000 0.192 0.000 0.877 409 D CB 0.161 40.970 40.800 0.016 0.000 1.187 409 D HN 0.113 nan 8.370 nan 0.000 0.451 410 P HA 0.120 nan 4.420 nan 0.000 0.275 410 P C -0.063 177.196 177.300 -0.069 0.000 1.227 410 P CA -0.421 62.703 63.100 0.040 0.000 0.781 410 P CB 1.169 32.895 31.700 0.044 0.000 0.906 411 K N 1.005 121.321 120.400 -0.141 0.000 2.365 411 K HA 0.230 4.549 4.320 -0.002 0.000 0.195 411 K C 0.146 176.691 176.600 -0.091 0.000 1.079 411 K CA 0.360 56.516 56.287 -0.219 0.000 0.979 411 K CB 0.480 32.637 32.500 -0.571 0.000 0.929 411 K HN 0.216 nan 8.250 nan 0.000 0.523 412 V N 1.145 121.033 119.914 -0.043 0.000 2.680 412 V HA 0.364 4.483 4.120 -0.002 0.000 0.309 412 V C -0.950 175.163 176.094 0.032 0.000 1.052 412 V CA -0.842 61.480 62.300 0.036 0.000 0.908 412 V CB 1.929 33.816 31.823 0.106 0.000 1.001 412 V HN 0.336 nan 8.190 nan 0.000 0.431 413 S N 5.462 121.182 115.700 0.034 0.000 2.586 413 S HA 0.418 4.887 4.470 -0.002 0.000 0.274 413 S C 0.938 175.561 174.600 0.038 0.000 1.281 413 S CA -0.569 57.649 58.200 0.031 0.000 1.035 413 S CB 1.133 64.347 63.200 0.023 0.000 0.962 413 S HN 0.591 nan 8.310 nan 0.000 0.512 414 L N 0.920 122.165 121.223 0.037 0.000 2.191 414 L HA -0.059 4.280 4.340 -0.002 0.000 0.212 414 L C 1.663 178.553 176.870 0.033 0.000 1.103 414 L CA 1.296 56.160 54.840 0.039 0.000 0.769 414 L CB -0.584 41.498 42.059 0.039 0.000 0.908 414 L HN 0.813 nan 8.230 nan 0.000 0.438 415 D N -1.939 118.477 120.400 0.028 0.000 2.325 415 D HA -0.058 4.581 4.640 -0.002 0.000 0.225 415 D C 0.333 176.646 176.300 0.022 0.000 1.096 415 D CA -0.128 53.886 54.000 0.023 0.000 0.844 415 D CB -0.407 40.404 40.800 0.019 0.000 0.925 415 D HN 0.076 nan 8.370 nan 0.000 0.513 416 D N 1.239 121.655 120.400 0.026 0.000 2.313 416 D HA 0.126 4.765 4.640 -0.002 0.000 0.239 416 D C -1.465 174.850 176.300 0.024 0.000 1.142 416 D CA -2.227 51.788 54.000 0.025 0.000 0.847 416 D CB 1.977 42.795 40.800 0.031 0.000 1.082 416 D HN -0.133 nan 8.370 nan 0.000 0.480 417 P HA -0.089 nan 4.420 nan 0.000 0.218 417 P C 0.671 177.981 177.300 0.016 0.000 1.149 417 P CA 0.878 63.988 63.100 0.017 0.000 0.817 417 P CB 0.422 32.130 31.700 0.012 0.000 0.785 418 E N -0.932 119.278 120.200 0.016 0.000 2.465 418 E HA 0.163 4.512 4.350 -0.002 0.000 0.191 418 E C 1.787 178.400 176.600 0.021 0.000 1.053 418 E CA 0.053 56.460 56.400 0.013 0.000 0.869 418 E CB -0.064 29.639 29.700 0.006 0.000 0.977 418 E HN 0.122 nan 8.360 nan 0.000 0.483 419 A N 1.103 123.942 122.820 0.032 0.000 1.917 419 A HA -0.192 4.126 4.320 -0.002 0.000 0.219 419 A C 2.145 179.760 177.584 0.052 0.000 1.182 419 A CA 1.122 53.190 52.037 0.051 0.000 0.633 419 A CB -0.547 18.487 19.000 0.057 0.000 0.819 419 A HN 0.253 nan 8.150 nan 0.000 0.448 420 L N -1.029 120.215 121.223 0.035 0.000 2.291 420 L HA -0.103 4.236 4.340 -0.002 0.000 0.214 420 L C 2.579 179.453 176.870 0.008 0.000 1.120 420 L CA 1.384 56.240 54.840 0.027 0.000 0.799 420 L CB -0.327 41.746 42.059 0.022 0.000 0.925 420 L HN 0.376 nan 8.230 nan 0.000 0.446 421 T N -0.664 113.890 114.554 0.001 0.000 2.851 421 T HA -0.101 4.247 4.350 -0.002 0.000 0.262 421 T C 1.848 176.524 174.700 -0.041 0.000 1.043 421 T CA 0.930 63.019 62.100 -0.019 0.000 1.140 421 T CB 0.097 68.955 68.868 -0.017 0.000 0.872 421 T HN 0.299 nan 8.240 nan 0.000 0.446 422 K N 0.931 121.313 120.400 -0.030 0.000 2.057 422 K HA 0.044 4.363 4.320 -0.002 0.000 0.207 422 K C 2.157 178.679 176.600 -0.130 0.000 1.049 422 K CA 1.117 57.362 56.287 -0.070 0.000 0.931 422 K CB -0.353 32.143 32.500 -0.006 0.000 0.714 422 K HN 0.285 nan 8.250 nan 0.000 0.440 423 I N 1.125 121.685 120.570 -0.018 0.000 2.163 423 I HA -0.286 3.883 4.170 -0.002 0.000 0.243 423 I C 2.800 178.872 176.117 -0.074 0.000 1.085 423 I CA 1.190 62.497 61.300 0.011 0.000 1.347 423 I CB -0.226 37.836 38.000 0.103 0.000 1.044 423 I HN 0.165 nan 8.210 nan 0.000 0.408 424 R N 0.731 121.196 120.500 -0.058 0.000 2.105 424 R HA -0.214 4.125 4.340 -0.002 0.000 0.239 424 R C 2.554 178.793 176.300 -0.102 0.000 1.135 424 R CA 1.308 57.368 56.100 -0.066 0.000 0.967 424 R CB -0.195 30.078 30.300 -0.045 0.000 0.861 424 R HN 0.166 nan 8.270 nan 0.000 0.442 425 R N 1.138 121.560 120.500 -0.130 0.000 2.075 425 R HA -0.097 4.242 4.340 -0.002 0.000 0.232 425 R C 1.515 177.698 176.300 -0.194 0.000 1.126 425 R CA 1.581 57.591 56.100 -0.150 0.000 0.963 425 R CB -0.368 29.844 30.300 -0.147 0.000 0.858 425 R HN 0.249 nan 8.270 nan 0.000 0.435 426 E N 0.463 120.484 120.200 -0.299 0.000 2.268 426 E HA -0.126 4.223 4.350 -0.002 0.000 0.195 426 E C 1.864 178.363 176.600 -0.169 0.000 0.995 426 E CA 0.650 56.831 56.400 -0.364 0.000 0.836 426 E CB -0.012 29.134 29.700 -0.924 0.000 0.763 426 E HN 0.188 nan 8.360 nan 0.000 0.491 427 L N 0.661 121.814 121.223 -0.117 0.000 2.168 427 L HA 0.007 4.346 4.340 -0.002 0.000 0.203 427 L C 2.315 179.146 176.870 -0.064 0.000 1.078 427 L CA 1.270 56.076 54.840 -0.056 0.000 0.780 427 L CB -0.409 41.616 42.059 -0.056 0.000 0.939 427 L HN -0.054 nan 8.230 nan 0.000 0.451 428 K N -0.339 120.012 120.400 -0.081 0.000 2.097 428 K HA -0.070 4.249 4.320 -0.002 0.000 0.205 428 K C -0.471 176.083 176.600 -0.078 0.000 1.050 428 K CA 1.201 57.441 56.287 -0.078 0.000 0.938 428 K CB 0.200 32.651 32.500 -0.082 0.000 0.718 428 K HN 0.334 nan 8.250 nan 0.000 0.442 429 D N 0.774 121.119 120.400 -0.091 0.000 2.363 429 D HA 0.155 4.794 4.640 -0.002 0.000 0.258 429 D C -1.149 175.098 176.300 -0.088 0.000 1.259 429 D CA -0.261 53.685 54.000 -0.090 0.000 0.921 429 D CB 1.359 42.085 40.800 -0.122 0.000 1.201 429 D HN 0.154 nan 8.370 nan 0.000 0.524 430 A N 1.444 124.236 122.820 -0.047 0.000 2.540 430 A HA 0.502 4.821 4.320 -0.002 0.000 0.239 430 A C 0.827 178.374 177.584 -0.062 0.000 1.061 430 A CA 0.400 52.421 52.037 -0.027 0.000 0.758 430 A CB 0.579 19.598 19.000 0.031 0.000 0.991 430 A HN 0.555 nan 8.150 nan 0.000 0.502 431 G N -0.749 108.008 108.800 -0.072 0.000 2.932 431 G HA2 0.564 4.523 3.960 -0.002 0.000 0.283 431 G HA3 0.564 4.523 3.960 -0.002 0.000 0.283 431 G C 0.834 175.678 174.900 -0.095 0.000 1.336 431 G CA 0.057 45.070 45.100 -0.146 0.000 1.056 431 G HN 1.355 nan 8.290 nan 0.000 0.522 432 A N -0.933 121.786 122.820 -0.169 0.000 2.172 432 A HA 0.099 4.418 4.320 -0.002 0.000 0.216 432 A C 1.300 179.068 177.584 0.308 0.000 1.154 432 A CA 1.619 53.574 52.037 -0.137 0.000 0.701 432 A CB -0.086 18.919 19.000 0.008 0.000 0.789 432 A HN 0.373 nan 8.150 nan 0.000 0.465 433 D N -1.393 119.219 120.400 0.353 0.000 2.368 433 D HA 0.088 4.726 4.640 -0.002 0.000 0.218 433 D C 1.611 178.301 176.300 0.649 0.000 1.112 433 D CA -0.040 54.345 54.000 0.641 0.000 0.834 433 D CB -0.063 41.077 40.800 0.566 0.000 0.953 433 D HN 0.520 nan 8.370 nan 0.000 0.505 434 R N 0.713 121.451 120.500 0.398 0.000 2.096 434 R HA -0.194 4.145 4.340 -0.002 0.000 0.240 434 R C 1.970 178.439 176.300 0.282 0.000 1.139 434 R CA 1.192 57.490 56.100 0.330 0.000 0.952 434 R CB -0.387 30.024 30.300 0.186 0.000 0.854 434 R HN 0.090 nan 8.270 nan 0.000 0.436 435 I N 0.453 121.083 120.570 0.100 0.000 2.145 435 I HA -0.325 3.844 4.170 -0.002 0.000 0.244 435 I C 1.750 177.897 176.117 0.050 0.000 1.075 435 I CA 1.672 62.935 61.300 -0.061 0.000 1.332 435 I CB -0.287 37.416 38.000 -0.495 0.000 1.033 435 I HN 0.348 nan 8.210 nan 0.000 0.410 436 W N -0.736 120.687 121.300 0.205 0.000 2.388 436 W HA -0.205 4.454 4.660 -0.002 0.000 0.294 436 W C 2.559 179.074 176.519 -0.007 0.000 1.212 436 W CA 1.008 58.425 57.345 0.120 0.000 1.271 436 W CB -1.289 28.129 29.460 -0.071 0.000 1.126 436 W HN 0.218 nan 8.180 nan 0.000 0.535 437 Y N 0.132 120.604 120.300 0.287 0.000 2.421 437 Y HA -0.123 4.426 4.550 -0.002 0.000 0.292 437 Y C 2.381 178.296 175.900 0.026 0.000 1.136 437 Y CA 1.014 59.197 58.100 0.138 0.000 1.255 437 Y CB -0.821 37.693 38.460 0.090 0.000 0.991 437 Y HN -0.147 nan 8.280 nan 0.000 0.552 438 I N -0.920 119.733 120.570 0.138 0.000 2.202 438 I HA -0.297 3.872 4.170 -0.002 0.000 0.242 438 I C 2.558 178.539 176.117 -0.227 0.000 1.091 438 I CA 1.102 62.354 61.300 -0.080 0.000 1.368 438 I CB -0.550 37.463 38.000 0.022 0.000 1.058 438 I HN 0.171 nan 8.210 nan 0.000 0.410 439 A N 0.453 123.239 122.820 -0.056 0.000 1.877 439 A HA -0.249 4.070 4.320 -0.002 0.000 0.216 439 A C 1.952 179.563 177.584 0.045 0.000 1.186 439 A CA 2.063 54.087 52.037 -0.021 0.000 0.620 439 A CB -0.637 18.336 19.000 -0.046 0.000 0.822 439 A HN 0.328 nan 8.150 nan 0.000 0.443 440 D N -0.002 120.430 120.400 0.053 0.000 2.182 440 D HA -0.069 4.570 4.640 -0.002 0.000 0.201 440 D C 2.141 178.462 176.300 0.034 0.000 0.986 440 D CA 1.375 55.412 54.000 0.061 0.000 0.847 440 D CB -0.317 40.517 40.800 0.056 0.000 0.942 440 D HN 0.438 nan 8.370 nan 0.000 0.467 441 A N -0.045 122.735 122.820 -0.066 0.000 1.969 441 A HA -0.143 4.176 4.320 -0.002 0.000 0.218 441 A C 1.832 179.383 177.584 -0.056 0.000 1.169 441 A CA 0.827 52.795 52.037 -0.116 0.000 0.635 441 A CB -0.704 18.116 19.000 -0.300 0.000 0.810 441 A HN 0.123 nan 8.150 nan 0.000 0.445 442 F N -0.119 119.853 119.950 0.036 0.000 2.259 442 F HA 0.023 4.549 4.527 -0.002 0.000 0.298 442 F C 2.434 178.247 175.800 0.022 0.000 1.088 442 F CA 0.872 58.883 58.000 0.018 0.000 1.358 442 F CB -0.493 38.499 39.000 -0.013 0.000 1.040 442 F HN 0.134 nan 8.300 nan 0.000 0.505 443 R N -0.145 120.476 120.500 0.201 0.000 2.092 443 R HA -0.000 4.338 4.340 -0.002 0.000 0.231 443 R C 2.093 178.455 176.300 0.103 0.000 1.119 443 R CA 1.124 57.304 56.100 0.132 0.000 0.970 443 R CB -0.551 29.813 30.300 0.106 0.000 0.864 443 R HN 0.185 nan 8.270 nan 0.000 0.440 444 A N -0.111 122.765 122.820 0.094 0.000 2.238 444 A HA 0.236 4.554 4.320 -0.002 0.000 0.208 444 A C 1.231 178.861 177.584 0.078 0.000 1.177 444 A CA 0.734 52.815 52.037 0.073 0.000 0.804 444 A CB 0.010 19.046 19.000 0.060 0.000 0.823 444 A HN 0.456 nan 8.150 nan 0.000 0.482 445 G N -1.510 107.354 108.800 0.107 0.000 2.141 445 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.231 445 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.231 445 G C -0.020 174.947 174.900 0.113 0.000 0.984 445 G CA 0.136 45.296 45.100 0.101 0.000 0.660 445 G HN 0.388 nan 8.290 nan 0.000 0.525 446 L N 1.768 123.070 121.223 0.132 0.000 2.375 446 L HA 0.630 4.969 4.340 -0.002 0.000 0.271 446 L C 1.390 178.400 176.870 0.233 0.000 1.107 446 L CA -0.026 54.885 54.840 0.119 0.000 0.806 446 L CB 1.499 43.577 42.059 0.032 0.000 1.146 446 L HN 0.426 nan 8.230 nan 0.000 0.447 447 S N 1.077 116.892 115.700 0.193 0.000 2.669 447 S HA 0.254 4.722 4.470 -0.002 0.000 0.270 447 S C 1.062 175.872 174.600 0.350 0.000 1.225 447 S CA -0.891 57.448 58.200 0.231 0.000 0.991 447 S CB 1.468 64.747 63.200 0.132 0.000 0.987 447 S HN 0.315 nan 8.310 nan 0.000 0.552 448 V N 1.157 121.262 119.914 0.319 0.000 2.332 448 V HA -0.160 3.959 4.120 -0.002 0.000 0.248 448 V C 2.228 178.489 176.094 0.278 0.000 1.055 448 V CA 2.296 64.810 62.300 0.357 0.000 1.038 448 V CB -0.988 30.919 31.823 0.139 0.000 0.651 448 V HN 0.851 nan 8.190 nan 0.000 0.450 449 D N 0.417 120.930 120.400 0.187 0.000 2.117 449 D HA -0.106 4.533 4.640 -0.002 0.000 0.197 449 D C 2.202 178.628 176.300 0.211 0.000 0.987 449 D CA 1.574 55.683 54.000 0.181 0.000 0.829 449 D CB -0.590 40.272 40.800 0.105 0.000 0.961 449 D HN 0.464 nan 8.370 nan 0.000 0.460 450 G N 0.478 109.375 108.800 0.163 0.000 2.418 450 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.217 450 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.217 450 G C 1.843 176.803 174.900 0.101 0.000 1.158 450 G CA 0.735 45.905 45.100 0.118 0.000 0.771 450 G HN 0.250 nan 8.290 nan 0.000 0.545 451 V N 0.235 120.221 119.914 0.119 0.000 2.453 451 V HA -0.051 4.068 4.120 -0.002 0.000 0.247 451 V C 2.272 178.417 176.094 0.084 0.000 1.048 451 V CA 1.546 63.873 62.300 0.045 0.000 1.049 451 V CB -0.540 31.255 31.823 -0.047 0.000 0.672 451 V HN 0.396 nan 8.190 nan 0.000 0.457 452 F N 2.023 122.009 119.950 0.060 0.000 2.102 452 F HA -0.202 4.323 4.527 -0.002 0.000 0.298 452 F C 2.339 178.163 175.800 0.040 0.000 1.105 452 F CA 1.945 59.977 58.000 0.053 0.000 1.239 452 F CB -0.380 38.658 39.000 0.064 0.000 0.991 452 F HN 0.193 nan 8.300 nan 0.000 0.474 453 N N 0.854 119.625 118.700 0.118 0.000 2.137 453 N HA -0.196 4.543 4.740 -0.002 0.000 0.190 453 N C 1.952 177.397 175.510 -0.109 0.000 1.017 453 N CA 1.803 54.865 53.050 0.020 0.000 0.859 453 N CB -0.524 38.037 38.487 0.124 0.000 1.002 453 N HN 0.395 nan 8.380 nan 0.000 0.428 454 L N 0.017 121.182 121.223 -0.096 0.000 2.162 454 L HA -0.019 4.320 4.340 -0.002 0.000 0.205 454 L C 2.333 179.125 176.870 -0.130 0.000 1.086 454 L CA 1.269 56.053 54.840 -0.092 0.000 0.778 454 L CB -0.346 41.675 42.059 -0.063 0.000 0.928 454 L HN 0.280 nan 8.230 nan 0.000 0.446 455 T N -5.135 109.312 114.554 -0.178 0.000 3.040 455 T HA 0.089 4.437 4.350 -0.002 0.000 0.252 455 T C 0.889 175.440 174.700 -0.249 0.000 1.064 455 T CA 0.589 62.589 62.100 -0.167 0.000 1.110 455 T CB -0.049 68.749 68.868 -0.117 0.000 0.921 455 T HN 0.325 nan 8.240 nan 0.000 0.480 456 N N 0.208 118.598 118.700 -0.517 0.000 2.878 456 N HA -0.112 4.627 4.740 -0.002 0.000 0.247 456 N C -0.807 174.519 175.510 -0.307 0.000 1.021 456 N CA 0.536 53.217 53.050 -0.616 0.000 0.873 456 N CB -1.763 36.562 38.487 -0.271 0.000 1.128 456 N HN 0.546 nan 8.380 nan 0.000 0.571 457 I N 1.423 121.856 120.570 -0.227 0.000 2.396 457 I HA 0.033 4.202 4.170 -0.002 0.000 0.289 457 I C 0.724 176.975 176.117 0.223 0.000 1.056 457 I CA -0.191 61.035 61.300 -0.123 0.000 1.365 457 I CB 0.459 38.268 38.000 -0.318 0.000 1.407 457 I HN 0.123 nan 8.210 nan 0.000 0.509 458 D N 5.045 125.654 120.400 0.347 0.000 2.648 458 D HA -0.089 4.549 4.640 -0.002 0.000 0.229 458 D C 1.288 177.816 176.300 0.379 0.000 1.119 458 D CA 0.575 54.835 54.000 0.433 0.000 0.850 458 D CB 0.718 41.739 40.800 0.368 0.000 1.169 458 D HN 0.376 nan 8.370 nan 0.000 0.489 459 R N 2.664 123.313 120.500 0.249 0.000 2.193 459 R HA -0.141 4.198 4.340 -0.002 0.000 0.229 459 R C 1.535 177.911 176.300 0.126 0.000 1.110 459 R CA 0.870 57.068 56.100 0.164 0.000 0.988 459 R CB -0.119 30.187 30.300 0.010 0.000 0.871 459 R HN 0.708 nan 8.270 nan 0.000 0.458 460 W N 0.417 121.672 121.300 -0.075 0.000 2.342 460 W HA -0.202 4.457 4.660 -0.002 0.000 0.297 460 W C 1.074 177.492 176.519 -0.167 0.000 1.213 460 W CA 1.479 58.709 57.345 -0.191 0.000 1.251 460 W CB -0.139 29.115 29.460 -0.344 0.000 1.136 460 W HN -0.026 nan 8.180 nan 0.000 0.526 461 F N -0.462 119.600 119.950 0.187 0.000 2.270 461 F HA -0.010 4.516 4.527 -0.002 0.000 0.295 461 F C 2.212 178.039 175.800 0.046 0.000 1.087 461 F CA 1.026 59.083 58.000 0.095 0.000 1.365 461 F CB -1.119 37.991 39.000 0.183 0.000 1.056 461 F HN -0.250 nan 8.300 nan 0.000 0.506 462 L N 0.194 121.579 121.223 0.270 0.000 2.042 462 L HA -0.195 4.144 4.340 -0.002 0.000 0.210 462 L C 2.613 179.529 176.870 0.075 0.000 1.076 462 L CA 1.419 56.419 54.840 0.265 0.000 0.749 462 L CB -1.025 41.227 42.059 0.323 0.000 0.893 462 L HN 0.171 nan 8.230 nan 0.000 0.432 463 V N -2.683 117.201 119.914 -0.050 0.000 2.407 463 V HA -0.282 3.837 4.120 -0.002 0.000 0.248 463 V C 2.174 178.138 176.094 -0.216 0.000 1.055 463 V CA 1.524 63.714 62.300 -0.184 0.000 1.049 463 V CB -0.847 30.869 31.823 -0.179 0.000 0.662 463 V HN 0.506 nan 8.190 nan 0.000 0.455 464 Q N 0.183 119.865 119.800 -0.196 0.000 2.119 464 Q HA -0.015 4.324 4.340 -0.002 0.000 0.201 464 Q C 2.333 178.263 176.000 -0.117 0.000 0.972 464 Q CA 2.099 57.798 55.803 -0.174 0.000 0.847 464 Q CB -0.297 28.318 28.738 -0.206 0.000 0.903 464 Q HN 0.671 nan 8.270 nan 0.000 0.433 465 I N 0.827 121.361 120.570 -0.060 0.000 2.226 465 I HA -0.269 3.900 4.170 -0.002 0.000 0.245 465 I C 2.504 178.494 176.117 -0.212 0.000 1.100 465 I CA 1.178 62.399 61.300 -0.133 0.000 1.374 465 I CB -0.244 37.750 38.000 -0.010 0.000 1.057 465 I HN 0.276 nan 8.210 nan 0.000 0.413 466 E N 1.150 121.082 120.200 -0.446 0.000 2.085 466 E HA -0.316 4.033 4.350 -0.002 0.000 0.194 466 E C 2.128 178.523 176.600 -0.342 0.000 0.994 466 E CA 1.604 57.527 56.400 -0.795 0.000 0.801 466 E CB -0.054 28.924 29.700 -1.203 0.000 0.743 466 E HN 0.478 nan 8.360 nan 0.000 0.453 467 E N 0.360 120.417 120.200 -0.239 0.000 2.085 467 E HA -0.213 4.136 4.350 -0.002 0.000 0.194 467 E C 2.264 178.856 176.600 -0.013 0.000 0.994 467 E CA 1.171 57.503 56.400 -0.114 0.000 0.801 467 E CB -0.126 29.519 29.700 -0.093 0.000 0.743 467 E HN 0.352 nan 8.360 nan 0.000 0.453 468 L N 0.382 121.604 121.223 -0.002 0.000 2.127 468 L HA -0.176 4.163 4.340 -0.002 0.000 0.211 468 L C 2.547 179.553 176.870 0.226 0.000 1.089 468 L CA 0.575 55.509 54.840 0.158 0.000 0.757 468 L CB -0.362 41.716 42.059 0.032 0.000 0.899 468 L HN 0.109 nan 8.230 nan 0.000 0.434 469 V N -0.218 119.736 119.914 0.065 0.000 2.295 469 V HA -0.230 3.889 4.120 -0.002 0.000 0.246 469 V C 2.719 178.861 176.094 0.080 0.000 1.049 469 V CA 1.574 63.925 62.300 0.086 0.000 1.024 469 V CB -0.530 31.332 31.823 0.065 0.000 0.648 469 V HN 0.435 nan 8.190 nan 0.000 0.447 470 R N -0.255 120.265 120.500 0.033 0.000 2.096 470 R HA -0.089 4.250 4.340 -0.002 0.000 0.235 470 R C 2.196 178.531 176.300 0.059 0.000 1.127 470 R CA 1.302 57.418 56.100 0.027 0.000 0.968 470 R CB -0.890 29.404 30.300 -0.011 0.000 0.861 470 R HN 0.429 nan 8.270 nan 0.000 0.440 471 L N 0.818 122.102 121.223 0.102 0.000 2.056 471 L HA -0.141 4.198 4.340 -0.002 0.000 0.207 471 L C 2.444 179.338 176.870 0.039 0.000 1.078 471 L CA 1.333 56.246 54.840 0.122 0.000 0.749 471 L CB -0.343 41.834 42.059 0.196 0.000 0.901 471 L HN 0.210 nan 8.230 nan 0.000 0.433 472 E N -0.115 120.112 120.200 0.045 0.000 2.077 472 E HA -0.252 4.096 4.350 -0.002 0.000 0.193 472 E C 2.068 178.678 176.600 0.016 0.000 0.989 472 E CA 1.187 57.575 56.400 -0.020 0.000 0.800 472 E CB 0.003 29.778 29.700 0.124 0.000 0.746 472 E HN 0.503 nan 8.360 nan 0.000 0.452 473 E N 0.770 120.999 120.200 0.048 0.000 2.070 473 E HA -0.237 4.112 4.350 -0.002 0.000 0.197 473 E C 2.074 178.696 176.600 0.037 0.000 1.004 473 E CA 1.192 57.617 56.400 0.042 0.000 0.805 473 E CB -0.026 29.698 29.700 0.040 0.000 0.744 473 E HN 0.064 nan 8.360 nan 0.000 0.451 474 K N 0.664 121.094 120.400 0.050 0.000 2.057 474 K HA -0.147 4.172 4.320 -0.002 0.000 0.207 474 K C 2.003 178.674 176.600 0.118 0.000 1.049 474 K CA 1.228 57.550 56.287 0.058 0.000 0.931 474 K CB 0.081 32.614 32.500 0.054 0.000 0.714 474 K HN -0.010 nan 8.250 nan 0.000 0.440 475 V N 1.227 121.223 119.914 0.138 0.000 2.427 475 V HA -0.193 3.926 4.120 -0.002 0.000 0.248 475 V C 2.438 178.558 176.094 0.044 0.000 1.051 475 V CA 1.839 64.199 62.300 0.099 0.000 1.048 475 V CB -0.608 31.154 31.823 -0.102 0.000 0.666 475 V HN 0.472 nan 8.190 nan 0.000 0.456 476 A N -0.411 122.423 122.820 0.024 0.000 1.930 476 A HA -0.245 4.074 4.320 -0.002 0.000 0.217 476 A C 2.267 179.866 177.584 0.025 0.000 1.175 476 A CA 1.905 53.954 52.037 0.020 0.000 0.627 476 A CB -0.409 18.604 19.000 0.022 0.000 0.815 476 A HN 0.610 nan 8.150 nan 0.000 0.443 477 E N -0.188 120.029 120.200 0.028 0.000 2.047 477 E HA -0.139 4.210 4.350 -0.002 0.000 0.191 477 E C 1.969 178.581 176.600 0.019 0.000 0.987 477 E CA 1.781 58.192 56.400 0.018 0.000 0.799 477 E CB -0.118 29.586 29.700 0.007 0.000 0.752 477 E HN 0.537 nan 8.360 nan 0.000 0.449 478 V N -1.880 118.055 119.914 0.035 0.000 2.951 478 V HA 0.247 4.366 4.120 -0.002 0.000 0.255 478 V C 1.056 177.182 176.094 0.053 0.000 1.088 478 V CA 0.824 63.148 62.300 0.040 0.000 1.109 478 V CB -0.781 31.070 31.823 0.048 0.000 0.724 478 V HN 0.409 nan 8.190 nan 0.000 0.471 479 G N 0.265 109.097 108.800 0.053 0.000 2.749 479 G HA2 -0.336 3.622 3.960 -0.002 0.000 0.242 479 G HA3 -0.336 3.622 3.960 -0.002 0.000 0.242 479 G C 0.479 175.409 174.900 0.049 0.000 1.364 479 G CA 0.236 45.359 45.100 0.038 0.000 0.888 479 G HN 0.761 nan 8.290 nan 0.000 0.566 480 I N 0.109 120.697 120.570 0.031 0.000 2.335 480 I HA -0.181 3.988 4.170 -0.002 0.000 0.251 480 I C 2.792 178.945 176.117 0.060 0.000 1.129 480 I CA 2.637 63.957 61.300 0.033 0.000 1.402 480 I CB -0.263 37.744 38.000 0.012 0.000 1.069 480 I HN 0.702 nan 8.210 nan 0.000 0.424 481 T N 0.313 114.899 114.554 0.054 0.000 2.652 481 T HA -0.153 4.196 4.350 -0.002 0.000 0.267 481 T C 1.599 176.348 174.700 0.083 0.000 1.039 481 T CA 1.534 63.670 62.100 0.060 0.000 1.153 481 T CB -0.772 68.120 68.868 0.039 0.000 0.863 481 T HN 0.604 nan 8.240 nan 0.000 0.428 482 G N 0.717 109.571 108.800 0.090 0.000 2.776 482 G HA2 0.087 4.046 3.960 -0.002 0.000 0.209 482 G HA3 0.087 4.046 3.960 -0.002 0.000 0.209 482 G C 0.585 175.631 174.900 0.243 0.000 1.145 482 G CA -0.054 45.113 45.100 0.113 0.000 0.791 482 G HN 0.453 nan 8.290 nan 0.000 0.530 483 L N 2.452 123.805 121.223 0.216 0.000 2.423 483 L HA 0.172 4.511 4.340 -0.002 0.000 0.249 483 L C 0.200 177.210 176.870 0.235 0.000 1.276 483 L CA -0.736 54.238 54.840 0.224 0.000 1.199 483 L CB -0.746 41.366 42.059 0.089 0.000 1.407 483 L HN 0.294 nan 8.230 nan 0.000 0.410 484 N N 0.055 118.861 118.700 0.176 0.000 2.424 484 N HA 0.245 4.984 4.740 -0.002 0.000 0.257 484 N C 1.206 176.541 175.510 -0.291 0.000 1.250 484 N CA 0.090 53.116 53.050 -0.039 0.000 0.946 484 N CB 0.873 39.326 38.487 -0.056 0.000 1.175 484 N HN 0.211 nan 8.380 nan 0.000 0.477 485 A N 0.294 122.564 122.820 -0.917 0.000 1.958 485 A HA -0.270 4.049 4.320 -0.002 0.000 0.221 485 A C 1.441 178.855 177.584 -0.283 0.000 1.178 485 A CA 2.041 53.537 52.037 -0.900 0.000 0.642 485 A CB -0.909 17.526 19.000 -0.942 0.000 0.816 485 A HN 0.809 nan 8.150 nan 0.000 0.453 486 D N -1.643 118.655 120.400 -0.171 0.000 2.117 486 D HA -0.067 4.572 4.640 -0.002 0.000 0.198 486 D C 1.570 177.916 176.300 0.077 0.000 0.982 486 D CA 0.995 54.973 54.000 -0.037 0.000 0.828 486 D CB -0.328 40.456 40.800 -0.025 0.000 0.967 486 D HN 0.407 nan 8.370 nan 0.000 0.464 487 F N 0.973 120.862 119.950 -0.103 0.000 2.128 487 F HA -0.028 4.498 4.527 -0.002 0.000 0.295 487 F C 1.951 177.709 175.800 -0.071 0.000 1.100 487 F CA 0.431 58.386 58.000 -0.075 0.000 1.260 487 F CB -0.743 38.213 39.000 -0.073 0.000 1.009 487 F HN -0.096 nan 8.300 nan 0.000 0.476 488 L N 1.168 122.318 121.223 -0.122 0.000 2.013 488 L HA -0.203 4.136 4.340 -0.002 0.000 0.212 488 L C 2.674 179.437 176.870 -0.178 0.000 1.073 488 L CA 2.152 56.863 54.840 -0.215 0.000 0.753 488 L CB -1.077 40.965 42.059 -0.028 0.000 0.890 488 L HN 0.215 nan 8.230 nan 0.000 0.432 489 R N -0.917 119.530 120.500 -0.088 0.000 2.091 489 R HA -0.248 4.091 4.340 -0.002 0.000 0.238 489 R C 2.401 178.666 176.300 -0.058 0.000 1.136 489 R CA 1.988 58.050 56.100 -0.063 0.000 0.959 489 R CB -0.398 29.902 30.300 -0.000 0.000 0.856 489 R HN 0.665 nan 8.270 nan 0.000 0.437 490 Q N 0.421 120.214 119.800 -0.011 0.000 2.061 490 Q HA -0.188 4.151 4.340 -0.002 0.000 0.204 490 Q C 2.109 178.119 176.000 0.016 0.000 0.984 490 Q CA 1.845 57.671 55.803 0.039 0.000 0.846 490 Q CB -0.106 28.713 28.738 0.136 0.000 0.902 490 Q HN 0.480 nan 8.270 nan 0.000 0.421 491 L N 0.403 121.572 121.223 -0.090 0.000 2.056 491 L HA -0.179 4.160 4.340 -0.002 0.000 0.207 491 L C 2.625 179.519 176.870 0.040 0.000 1.078 491 L CA 0.892 55.718 54.840 -0.022 0.000 0.749 491 L CB -0.432 41.393 42.059 -0.390 0.000 0.901 491 L HN 0.083 nan 8.230 nan 0.000 0.433 492 K N 0.550 120.829 120.400 -0.202 0.000 2.057 492 K HA -0.147 4.172 4.320 -0.002 0.000 0.207 492 K C 2.157 178.583 176.600 -0.291 0.000 1.049 492 K CA 1.404 57.414 56.287 -0.462 0.000 0.931 492 K CB -0.402 31.429 32.500 -1.115 0.000 0.714 492 K HN 0.256 nan 8.250 nan 0.000 0.440 493 R N 0.887 121.317 120.500 -0.117 0.000 2.241 493 R HA -0.024 4.315 4.340 -0.002 0.000 0.224 493 R C 1.525 177.863 176.300 0.063 0.000 1.101 493 R CA 0.815 56.951 56.100 0.060 0.000 0.995 493 R CB 0.115 30.465 30.300 0.083 0.000 0.870 493 R HN 0.063 nan 8.270 nan 0.000 0.463 494 K N -0.820 119.615 120.400 0.058 0.000 2.404 494 K HA 0.163 4.482 4.320 -0.002 0.000 0.194 494 K C 0.911 177.458 176.600 -0.089 0.000 1.023 494 K CA 0.789 57.094 56.287 0.029 0.000 1.094 494 K CB 1.322 33.881 32.500 0.097 0.000 0.841 494 K HN 0.366 nan 8.250 nan 0.000 0.523 495 G N 1.352 110.124 108.800 -0.047 0.000 2.213 495 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.226 495 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.226 495 G C -0.009 174.817 174.900 -0.124 0.000 0.992 495 G CA -0.609 44.438 45.100 -0.089 0.000 0.632 495 G HN 0.190 nan 8.290 nan 0.000 0.511 496 F N 2.383 122.316 119.950 -0.028 0.000 2.590 496 F HA 0.461 4.987 4.527 -0.002 0.000 0.389 496 F C 1.266 177.038 175.800 -0.047 0.000 1.049 496 F CA 0.553 58.530 58.000 -0.038 0.000 1.199 496 F CB 0.555 39.506 39.000 -0.081 0.000 1.058 496 F HN 0.402 nan 8.300 nan 0.000 0.556 497 A N 3.411 126.340 122.820 0.182 0.000 2.322 497 A HA 0.204 4.523 4.320 -0.002 0.000 0.269 497 A C 1.166 178.806 177.584 0.093 0.000 1.094 497 A CA -0.699 51.404 52.037 0.111 0.000 0.807 497 A CB 0.316 19.370 19.000 0.090 0.000 1.047 497 A HN 0.751 nan 8.150 nan 0.000 0.487 498 D N 1.523 121.957 120.400 0.056 0.000 2.149 498 D HA -0.128 4.511 4.640 -0.002 0.000 0.198 498 D C 2.104 178.420 176.300 0.027 0.000 0.990 498 D CA 1.870 55.885 54.000 0.025 0.000 0.839 498 D CB -0.270 40.543 40.800 0.021 0.000 0.948 498 D HN 0.632 nan 8.370 nan 0.000 0.460 499 A N 0.787 123.632 122.820 0.042 0.000 1.898 499 A HA -0.163 4.156 4.320 -0.002 0.000 0.216 499 A C 2.206 179.821 177.584 0.051 0.000 1.181 499 A CA 1.558 53.618 52.037 0.038 0.000 0.620 499 A CB -0.360 18.662 19.000 0.036 0.000 0.819 499 A HN 0.066 nan 8.150 nan 0.000 0.442 500 R N 0.003 120.555 120.500 0.088 0.000 2.081 500 R HA 0.005 4.344 4.340 -0.002 0.000 0.235 500 R C 1.887 178.230 176.300 0.071 0.000 1.131 500 R CA 1.522 57.697 56.100 0.125 0.000 0.960 500 R CB -0.705 29.738 30.300 0.238 0.000 0.856 500 R HN 0.519 nan 8.270 nan 0.000 0.436 501 L N -0.342 120.896 121.223 0.025 0.000 2.046 501 L HA -0.085 4.254 4.340 -0.002 0.000 0.208 501 L C 2.521 179.363 176.870 -0.046 0.000 1.077 501 L CA 1.338 56.135 54.840 -0.072 0.000 0.747 501 L CB -0.697 41.290 42.059 -0.120 0.000 0.896 501 L HN 0.322 nan 8.230 nan 0.000 0.432 502 A N 0.208 123.017 122.820 -0.018 0.000 1.883 502 A HA -0.262 4.057 4.320 -0.002 0.000 0.217 502 A C 2.342 179.924 177.584 -0.003 0.000 1.186 502 A CA 1.998 54.028 52.037 -0.012 0.000 0.624 502 A CB -0.442 18.556 19.000 -0.003 0.000 0.822 502 A HN 0.275 nan 8.150 nan 0.000 0.444 503 K N -0.611 119.795 120.400 0.009 0.000 2.032 503 K HA -0.103 4.216 4.320 -0.002 0.000 0.209 503 K C 1.869 178.476 176.600 0.012 0.000 1.048 503 K CA 1.700 57.996 56.287 0.016 0.000 0.927 503 K CB -0.400 32.120 32.500 0.032 0.000 0.712 503 K HN 0.482 nan 8.250 nan 0.000 0.441 504 L N -0.164 121.062 121.223 0.006 0.000 2.083 504 L HA -0.155 4.184 4.340 -0.002 0.000 0.209 504 L C 2.292 179.159 176.870 -0.006 0.000 1.083 504 L CA 1.272 56.111 54.840 -0.001 0.000 0.752 504 L CB -0.343 41.699 42.059 -0.028 0.000 0.899 504 L HN 0.200 nan 8.230 nan 0.000 0.433 505 A N -0.534 122.276 122.820 -0.016 0.000 2.169 505 A HA 0.300 4.618 4.320 -0.002 0.000 0.212 505 A C 1.598 179.181 177.584 -0.001 0.000 1.153 505 A CA 0.648 52.680 52.037 -0.009 0.000 0.756 505 A CB -0.439 18.550 19.000 -0.019 0.000 0.813 505 A HN 0.490 nan 8.150 nan 0.000 0.471 506 G N -0.732 108.068 108.800 0.000 0.000 2.289 506 G HA2 0.014 3.973 3.960 -0.002 0.000 0.280 506 G HA3 0.014 3.973 3.960 -0.002 0.000 0.280 506 G C 0.041 174.942 174.900 0.000 0.000 1.089 506 G CA 0.582 45.683 45.100 0.002 0.000 0.939 506 G HN 1.764 nan 8.290 nan 0.000 0.499 507 V N -4.442 115.470 119.914 -0.003 0.000 3.181 507 V HA 0.801 4.920 4.120 -0.002 0.000 0.308 507 V C 0.530 176.621 176.094 -0.004 0.000 1.214 507 V CA -2.036 60.261 62.300 -0.004 0.000 1.053 507 V CB 1.489 33.306 31.823 -0.009 0.000 1.069 507 V HN 0.371 nan 8.190 nan 0.000 0.441 508 R N 0.604 121.102 120.500 -0.005 0.000 2.594 508 R HA 0.191 4.530 4.340 -0.002 0.000 0.272 508 R C 1.343 177.640 176.300 -0.004 0.000 1.074 508 R CA 0.347 56.445 56.100 -0.003 0.000 1.105 508 R CB 0.909 31.207 30.300 -0.004 0.000 1.008 508 R HN 1.044 nan 8.270 nan 0.000 0.472 509 E N 2.399 122.599 120.200 -0.000 0.000 2.110 509 E HA -0.210 4.139 4.350 -0.002 0.000 0.193 509 E C 1.497 178.097 176.600 -0.001 0.000 0.988 509 E CA 1.434 57.835 56.400 0.002 0.000 0.804 509 E CB 0.052 29.758 29.700 0.010 0.000 0.745 509 E HN 0.728 nan 8.360 nan 0.000 0.458 510 A N 0.747 123.567 122.820 -0.000 0.000 2.024 510 A HA -0.202 4.117 4.320 -0.002 0.000 0.220 510 A C 1.913 179.491 177.584 -0.010 0.000 1.164 510 A CA 1.693 53.729 52.037 -0.000 0.000 0.643 510 A CB -0.411 18.589 19.000 -0.000 0.000 0.806 510 A HN 0.246 nan 8.150 nan 0.000 0.451 511 E N -0.270 119.921 120.200 -0.015 0.000 2.107 511 E HA -0.057 4.292 4.350 -0.002 0.000 0.191 511 E C 1.832 178.408 176.600 -0.039 0.000 0.982 511 E CA 0.653 57.037 56.400 -0.026 0.000 0.809 511 E CB -0.138 29.548 29.700 -0.023 0.000 0.756 511 E HN 0.542 nan 8.360 nan 0.000 0.459 512 I N 0.272 120.823 120.570 -0.033 0.000 2.252 512 I HA -0.172 3.997 4.170 -0.002 0.000 0.245 512 I C 2.374 178.464 176.117 -0.046 0.000 1.102 512 I CA 1.028 62.302 61.300 -0.043 0.000 1.385 512 I CB -0.785 37.193 38.000 -0.037 0.000 1.064 512 I HN 0.117 nan 8.210 nan 0.000 0.414 513 R N 1.456 121.941 120.500 -0.024 0.000 2.083 513 R HA -0.193 4.145 4.340 -0.002 0.000 0.237 513 R C 2.306 178.588 176.300 -0.029 0.000 1.137 513 R CA 1.678 57.772 56.100 -0.011 0.000 0.951 513 R CB -0.050 30.261 30.300 0.018 0.000 0.851 513 R HN 0.211 nan 8.270 nan 0.000 0.434 514 K N 0.077 120.457 120.400 -0.033 0.000 2.063 514 K HA -0.171 4.148 4.320 -0.002 0.000 0.208 514 K C 2.025 178.560 176.600 -0.110 0.000 1.048 514 K CA 1.377 57.636 56.287 -0.046 0.000 0.928 514 K CB -0.253 32.220 32.500 -0.044 0.000 0.713 514 K HN 0.113 nan 8.250 nan 0.000 0.442 515 L N 1.609 122.746 121.223 -0.144 0.000 2.042 515 L HA -0.189 4.149 4.340 -0.002 0.000 0.210 515 L C 2.048 178.733 176.870 -0.309 0.000 1.076 515 L CA 1.646 56.324 54.840 -0.269 0.000 0.749 515 L CB -0.229 41.700 42.059 -0.216 0.000 0.893 515 L HN 0.051 nan 8.230 nan 0.000 0.432 516 R N -0.638 119.766 120.500 -0.161 0.000 2.081 516 R HA -0.189 4.150 4.340 -0.002 0.000 0.235 516 R C 2.016 178.206 176.300 -0.183 0.000 1.131 516 R CA 1.576 57.596 56.100 -0.134 0.000 0.960 516 R CB -0.583 29.619 30.300 -0.163 0.000 0.856 516 R HN 0.447 nan 8.270 nan 0.000 0.436 517 D N 0.374 120.685 120.400 -0.148 0.000 2.149 517 D HA -0.210 4.429 4.640 -0.002 0.000 0.198 517 D C 1.974 178.287 176.300 0.022 0.000 0.990 517 D CA 1.197 55.213 54.000 0.028 0.000 0.839 517 D CB 0.063 40.955 40.800 0.152 0.000 0.948 517 D HN 0.028 nan 8.370 nan 0.000 0.460 518 Q N -0.650 119.090 119.800 -0.101 0.000 2.061 518 Q HA -0.180 4.159 4.340 -0.002 0.000 0.204 518 Q C 1.002 176.989 176.000 -0.022 0.000 0.984 518 Q CA 1.545 57.261 55.803 -0.145 0.000 0.846 518 Q CB -0.628 27.889 28.738 -0.368 0.000 0.902 518 Q HN 0.442 nan 8.270 nan 0.000 0.421 519 Y N 1.302 121.606 120.300 0.007 0.000 2.462 519 Y HA 0.186 4.735 4.550 -0.002 0.000 0.293 519 Y C -0.097 175.818 175.900 0.026 0.000 1.195 519 Y CA -0.116 57.991 58.100 0.012 0.000 1.276 519 Y CB -0.232 38.226 38.460 -0.004 0.000 1.082 519 Y HN 0.222 nan 8.280 nan 0.000 0.514 520 D N 0.280 120.779 120.400 0.165 0.000 2.751 520 D HA -0.232 4.407 4.640 -0.002 0.000 0.233 520 D C -0.293 176.099 176.300 0.155 0.000 1.149 520 D CA 0.565 54.670 54.000 0.174 0.000 0.682 520 D CB -1.003 39.901 40.800 0.174 0.000 1.068 520 D HN 0.324 nan 8.370 nan 0.000 0.429 521 L N 1.786 123.042 121.223 0.055 0.000 2.407 521 L HA 0.166 4.505 4.340 -0.002 0.000 0.261 521 L C 0.290 177.152 176.870 -0.014 0.000 1.108 521 L CA -0.155 54.733 54.840 0.080 0.000 0.995 521 L CB 0.358 42.471 42.059 0.089 0.000 1.349 521 L HN 0.042 nan 8.230 nan 0.000 0.423 522 H N 1.935 121.118 119.070 0.188 0.000 2.621 522 H HA 0.523 5.078 4.556 -0.002 0.000 0.360 522 H C -2.285 172.869 175.328 -0.290 0.000 1.163 522 H CA -1.827 54.255 56.048 0.056 0.000 1.194 522 H CB 1.925 31.704 29.762 0.028 0.000 1.649 522 H HN 0.228 nan 8.280 nan 0.000 0.532 523 P HA 0.098 nan 4.420 nan 0.000 0.276 523 P C -0.303 176.679 177.300 -0.529 0.000 1.261 523 P CA -0.450 62.012 63.100 -1.064 0.000 0.800 523 P CB 1.225 32.253 31.700 -1.120 0.000 1.066 524 V N -2.049 117.558 119.914 -0.511 0.000 2.881 524 V HA 0.566 4.685 4.120 -0.002 0.000 0.316 524 V C -1.056 174.745 176.094 -0.488 0.000 1.070 524 V CA -0.963 61.160 62.300 -0.294 0.000 0.976 524 V CB 1.189 32.929 31.823 -0.139 0.000 1.038 524 V HN 0.317 nan 8.190 nan 0.000 0.446 525 Y N 1.675 121.904 120.300 -0.120 0.000 2.341 525 Y HA 0.701 5.250 4.550 -0.002 0.000 0.337 525 Y C 0.472 176.203 175.900 -0.281 0.000 1.014 525 Y CA -0.659 57.340 58.100 -0.168 0.000 1.111 525 Y CB 1.741 40.198 38.460 -0.006 0.000 1.194 525 Y HN 0.534 nan 8.280 nan 0.000 0.462 526 K N 3.238 123.338 120.400 -0.499 0.000 2.166 526 K HA 0.590 4.909 4.320 -0.002 0.000 0.245 526 K C -0.490 175.845 176.600 -0.442 0.000 0.967 526 K CA -0.954 55.036 56.287 -0.493 0.000 0.863 526 K CB 2.000 34.188 32.500 -0.519 0.000 1.107 526 K HN 0.699 nan 8.250 nan 0.000 0.436 527 R N 0.244 120.655 120.500 -0.148 0.000 2.668 527 R HA 0.447 4.786 4.340 -0.002 0.000 0.279 527 R C -0.348 175.982 176.300 0.051 0.000 0.976 527 R CA -0.996 55.072 56.100 -0.053 0.000 0.978 527 R CB 1.388 31.676 30.300 -0.020 0.000 1.133 527 R HN 0.197 nan 8.270 nan 0.000 0.484 528 V N 2.414 122.282 119.914 -0.077 0.000 2.530 528 V HA 0.055 4.174 4.120 -0.002 0.000 0.282 528 V C 0.182 176.301 176.094 0.042 0.000 1.048 528 V CA 0.323 62.570 62.300 -0.089 0.000 0.997 528 V CB 1.219 32.611 31.823 -0.719 0.000 0.987 528 V HN 0.989 nan 8.190 nan 0.000 0.477 529 D N 0.643 121.129 120.400 0.142 0.000 2.480 529 D HA 0.029 4.668 4.640 -0.002 0.000 0.276 529 D C 0.905 177.306 176.300 0.168 0.000 1.294 529 D CA 0.740 54.811 54.000 0.119 0.000 0.829 529 D CB -0.072 40.794 40.800 0.110 0.000 1.242 529 D HN 0.779 nan 8.370 nan 0.000 0.513 530 T N -2.090 112.599 114.554 0.225 0.000 8.285 530 T HA -0.364 3.985 4.350 -0.002 0.000 0.317 530 T C 1.102 176.006 174.700 0.339 0.000 2.029 530 T CA 1.462 63.752 62.100 0.316 0.000 3.092 530 T CB -3.003 66.170 68.868 0.509 0.000 2.254 530 T HN 0.919 nan 8.240 nan 0.000 1.172 531 C N 0.286 119.733 119.300 0.245 0.000 3.226 531 C HA 0.886 5.345 4.460 -0.002 0.000 0.258 531 C C 1.632 176.708 174.990 0.143 0.000 1.688 531 C CA -0.397 58.771 59.018 0.250 0.000 1.774 531 C CB -0.493 27.449 27.740 0.336 0.000 3.167 531 C HN 2.215 nan 8.230 nan 0.000 0.509 532 A N 0.265 123.138 122.820 0.089 0.000 2.791 532 A HA 0.256 4.575 4.320 -0.002 0.000 0.292 532 A C 1.566 179.170 177.584 0.034 0.000 1.487 532 A CA 1.537 53.599 52.037 0.041 0.000 0.760 532 A CB -1.845 17.157 19.000 0.003 0.000 1.031 532 A HN 2.820 nan 8.150 nan 0.000 0.503 533 A N -2.237 120.613 122.820 0.049 0.000 3.172 533 A HA -0.325 3.994 4.320 -0.002 0.000 0.263 533 A C 1.233 178.769 177.584 -0.080 0.000 1.215 533 A CA 2.288 54.331 52.037 0.010 0.000 1.065 533 A CB -2.316 16.692 19.000 0.013 0.000 1.148 533 A HN 2.008 nan 8.150 nan 0.000 0.904 534 E N -1.389 118.732 120.200 -0.132 0.000 2.118 534 E HA 0.002 4.351 4.350 -0.002 0.000 0.195 534 E C 0.190 176.284 176.600 -0.842 0.000 0.992 534 E CA 1.306 57.431 56.400 -0.457 0.000 0.804 534 E CB -0.025 29.398 29.700 -0.460 0.000 0.741 534 E HN 0.785 nan 8.360 nan 0.000 0.458 535 F N -0.474 119.459 119.950 -0.027 0.000 2.563 535 F HA 0.550 5.076 4.527 -0.002 0.000 0.316 535 F C 0.235 176.017 175.800 -0.030 0.000 1.076 535 F CA -1.010 56.966 58.000 -0.040 0.000 0.921 535 F CB 1.400 40.354 39.000 -0.076 0.000 1.209 535 F HN -0.129 nan 8.300 nan 0.000 0.462 536 A N 1.036 123.935 122.820 0.132 0.000 2.406 536 A HA 0.547 4.865 4.320 -0.002 0.000 0.243 536 A C 0.071 177.693 177.584 0.063 0.000 1.082 536 A CA 0.076 52.154 52.037 0.068 0.000 0.786 536 A CB 0.426 19.453 19.000 0.046 0.000 1.029 536 A HN 0.763 nan 8.150 nan 0.000 0.495 537 T N -1.020 113.553 114.554 0.033 0.000 2.906 537 T HA 0.473 4.822 4.350 -0.002 0.000 0.295 537 T C -0.562 174.139 174.700 0.002 0.000 1.061 537 T CA -0.616 61.491 62.100 0.011 0.000 1.000 537 T CB 1.190 70.063 68.868 0.009 0.000 1.103 537 T HN 0.546 nan 8.240 nan 0.000 0.486 538 D N 2.128 122.522 120.400 -0.011 0.000 2.440 538 D HA 0.170 4.808 4.640 -0.002 0.000 0.216 538 D C -0.078 176.218 176.300 -0.008 0.000 1.150 538 D CA 0.043 54.038 54.000 -0.007 0.000 0.832 538 D CB 0.855 41.651 40.800 -0.006 0.000 0.992 538 D HN 0.424 nan 8.370 nan 0.000 0.502 539 T N 0.726 115.270 114.554 -0.016 0.000 2.867 539 T HA 0.485 4.834 4.350 -0.002 0.000 0.282 539 T C 0.215 174.926 174.700 0.019 0.000 1.000 539 T CA -0.495 61.601 62.100 -0.007 0.000 1.042 539 T CB 2.191 71.015 68.868 -0.074 0.000 0.973 539 T HN -0.058 nan 8.240 nan 0.000 0.465 540 A N 3.252 126.090 122.820 0.031 0.000 3.079 540 A HA 0.394 4.713 4.320 -0.002 0.000 0.315 540 A C -0.774 176.845 177.584 0.058 0.000 1.334 540 A CA -0.416 51.621 52.037 0.000 0.000 1.048 540 A CB -0.427 18.545 19.000 -0.048 0.000 1.156 540 A HN 0.706 nan 8.150 nan 0.000 0.523 541 Y N 2.598 122.873 120.300 -0.041 0.000 2.478 541 Y HA 0.697 5.246 4.550 -0.002 0.000 0.329 541 Y C -0.616 175.294 175.900 0.017 0.000 0.967 541 Y CA -1.815 56.299 58.100 0.024 0.000 1.255 541 Y CB 0.440 38.959 38.460 0.097 0.000 1.103 541 Y HN 0.535 nan 8.280 nan 0.000 0.497 542 M N 6.599 126.309 119.600 0.183 0.000 2.662 542 M HA 0.500 4.979 4.480 -0.002 0.000 0.310 542 M C -1.500 174.974 176.300 0.290 0.000 1.204 542 M CA -1.131 54.207 55.300 0.064 0.000 0.891 542 M CB 2.737 35.248 32.600 -0.148 0.000 1.732 542 M HN 0.499 nan 8.290 nan 0.000 0.467 543 Y N -1.429 118.958 120.300 0.145 0.000 2.512 543 Y HA 0.817 5.366 4.550 -0.002 0.000 0.348 543 Y C -0.461 175.526 175.900 0.144 0.000 0.990 543 Y CA -1.487 56.719 58.100 0.176 0.000 1.033 543 Y CB 0.816 39.258 38.460 -0.029 0.000 1.259 543 Y HN 0.721 nan 8.280 nan 0.000 0.461 544 S N 1.423 117.216 115.700 0.156 0.000 2.601 544 S HA 0.749 5.218 4.470 -0.002 0.000 0.271 544 S C -0.286 174.229 174.600 -0.142 0.000 1.305 544 S CA -0.037 57.966 58.200 -0.328 0.000 1.022 544 S CB 1.597 64.557 63.200 -0.399 0.000 0.940 544 S HN 1.089 nan 8.310 nan 0.000 0.525 545 T N 0.756 115.114 114.554 -0.328 0.000 2.830 545 T HA 0.414 4.762 4.350 -0.002 0.000 0.322 545 T C -2.131 172.410 174.700 -0.265 0.000 1.501 545 T CA -0.575 61.455 62.100 -0.116 0.000 1.036 545 T CB 0.693 69.582 68.868 0.034 0.000 1.379 545 T HN 0.571 nan 8.240 nan 0.000 0.493 546 Y N 2.470 122.757 120.300 -0.021 0.000 2.802 546 Y HA 0.548 5.097 4.550 -0.002 0.000 0.330 546 Y C 0.807 176.711 175.900 0.006 0.000 1.193 546 Y CA -0.264 57.830 58.100 -0.010 0.000 1.427 546 Y CB 0.514 38.978 38.460 0.007 0.000 1.357 546 Y HN 0.590 nan 8.280 nan 0.000 0.501 547 E N -0.101 120.113 120.200 0.022 0.000 2.458 547 E HA 0.299 4.648 4.350 -0.002 0.000 0.250 547 E C 0.447 177.058 176.600 0.017 0.000 0.883 547 E CA -0.559 55.861 56.400 0.033 0.000 0.868 547 E CB 1.231 30.947 29.700 0.027 0.000 1.593 547 E HN 0.247 nan 8.360 nan 0.000 0.410 548 E N 0.623 120.835 120.200 0.019 0.000 2.038 548 E HA 0.005 4.354 4.350 -0.002 0.000 0.190 548 E C -0.071 176.534 176.600 0.008 0.000 0.967 548 E CA 0.670 57.082 56.400 0.019 0.000 0.816 548 E CB 0.041 29.756 29.700 0.024 0.000 0.784 548 E HN 0.371 nan 8.360 nan 0.000 0.456 549 E N 0.195 120.396 120.200 0.003 0.000 2.301 549 E HA 0.171 4.520 4.350 -0.002 0.000 0.275 549 E C -1.116 175.477 176.600 -0.012 0.000 1.030 549 E CA -0.255 56.146 56.400 0.001 0.000 0.852 549 E CB 1.292 30.994 29.700 0.003 0.000 1.060 549 E HN 0.050 nan 8.360 nan 0.000 0.401 550 C N 3.934 123.236 119.300 0.003 0.000 2.411 550 C HA 0.359 4.818 4.460 -0.002 0.000 0.330 550 C C 0.414 175.417 174.990 0.022 0.000 1.224 550 C CA -0.287 58.742 59.018 0.018 0.000 1.770 550 C CB 0.305 28.078 27.740 0.055 0.000 2.297 550 C HN 0.942 nan 8.230 nan 0.000 0.507 551 E N 2.762 122.976 120.200 0.023 0.000 2.526 551 E HA 0.155 4.504 4.350 -0.002 0.000 0.208 551 E C 1.582 178.192 176.600 0.017 0.000 0.997 551 E CA 0.384 56.789 56.400 0.010 0.000 0.961 551 E CB 0.405 30.097 29.700 -0.014 0.000 1.030 551 E HN 0.767 nan 8.360 nan 0.000 0.483 552 A N 2.450 125.305 122.820 0.059 0.000 1.869 552 A HA -0.273 4.045 4.320 -0.002 0.000 0.218 552 A C 0.931 178.520 177.584 0.009 0.000 1.203 552 A CA 1.392 53.449 52.037 0.034 0.000 0.638 552 A CB -0.549 18.494 19.000 0.073 0.000 0.831 552 A HN 0.343 nan 8.150 nan 0.000 0.450 553 N N -0.752 117.960 118.700 0.022 0.000 2.688 553 N HA -0.105 4.633 4.740 -0.002 0.000 0.258 553 N C -2.539 172.977 175.510 0.010 0.000 1.016 553 N CA 1.176 54.234 53.050 0.013 0.000 0.747 553 N CB -1.653 36.839 38.487 0.008 0.000 0.895 553 N HN 0.481 nan 8.380 nan 0.000 0.543 554 P HA 0.039 nan 4.420 nan 0.000 0.264 554 P C 0.477 177.785 177.300 0.013 0.000 1.193 554 P CA 0.038 63.148 63.100 0.017 0.000 0.763 554 P CB 0.590 32.300 31.700 0.016 0.000 0.810 555 S N 1.997 117.706 115.700 0.015 0.000 2.576 555 S HA 0.119 4.588 4.470 -0.002 0.000 0.272 555 S C 0.993 175.601 174.600 0.012 0.000 1.352 555 S CA 0.630 58.837 58.200 0.013 0.000 1.021 555 S CB -0.052 63.157 63.200 0.016 0.000 0.887 555 S HN 0.564 nan 8.310 nan 0.000 0.542 556 T N -0.939 113.620 114.554 0.009 0.000 2.999 556 T HA 0.126 4.475 4.350 -0.002 0.000 0.247 556 T C 1.251 175.956 174.700 0.008 0.000 1.012 556 T CA 0.438 62.542 62.100 0.008 0.000 1.048 556 T CB -0.599 68.272 68.868 0.005 0.000 1.020 556 T HN 0.643 nan 8.240 nan 0.000 0.478 557 D N 1.755 122.160 120.400 0.008 0.000 2.158 557 D HA -0.076 4.563 4.640 -0.002 0.000 0.197 557 D C 1.026 177.330 176.300 0.007 0.000 0.995 557 D CA 1.146 55.149 54.000 0.005 0.000 0.846 557 D CB 0.219 41.022 40.800 0.005 0.000 0.941 557 D HN 0.332 nan 8.370 nan 0.000 0.456 558 R N -0.534 119.975 120.500 0.014 0.000 2.960 558 R HA 0.413 4.752 4.340 -0.002 0.000 0.249 558 R C -0.609 175.715 176.300 0.041 0.000 1.192 558 R CA -0.799 55.314 56.100 0.021 0.000 1.035 558 R CB 0.879 31.196 30.300 0.028 0.000 1.234 558 R HN -0.075 nan 8.270 nan 0.000 0.493 559 E N 1.616 121.855 120.200 0.064 0.000 2.044 559 E HA 0.130 4.478 4.350 -0.002 0.000 0.282 559 E C -1.042 175.678 176.600 0.201 0.000 1.031 559 E CA -0.128 56.351 56.400 0.133 0.000 0.824 559 E CB 0.638 30.439 29.700 0.168 0.000 1.076 559 E HN 0.135 nan 8.360 nan 0.000 0.395 560 K N 3.955 124.426 120.400 0.119 0.000 2.156 560 K HA 0.442 4.761 4.320 -0.002 0.000 0.271 560 K C -0.451 176.150 176.600 0.002 0.000 0.995 560 K CA -0.715 55.617 56.287 0.074 0.000 0.890 560 K CB 1.446 33.971 32.500 0.041 0.000 1.073 560 K HN 0.377 nan 8.250 nan 0.000 0.454 561 I N 3.342 123.886 120.570 -0.044 0.000 2.436 561 I HA 0.310 4.479 4.170 -0.002 0.000 0.289 561 I C -0.381 175.689 176.117 -0.079 0.000 1.010 561 I CA -0.558 60.661 61.300 -0.135 0.000 1.098 561 I CB 1.594 39.422 38.000 -0.287 0.000 1.266 561 I HN 0.641 nan 8.210 nan 0.000 0.434 562 M N 5.732 125.285 119.600 -0.080 0.000 2.300 562 M HA 0.523 5.002 4.480 -0.002 0.000 0.348 562 M C -1.063 175.194 176.300 -0.071 0.000 1.151 562 M CA -0.720 54.548 55.300 -0.053 0.000 1.046 562 M CB 2.067 34.633 32.600 -0.057 0.000 1.647 562 M HN 0.248 nan 8.290 nan 0.000 0.451 563 V N 5.737 125.625 119.914 -0.043 0.000 2.444 563 V HA 0.401 4.519 4.120 -0.002 0.000 0.294 563 V C -0.357 175.727 176.094 -0.017 0.000 1.022 563 V CA -0.768 61.507 62.300 -0.042 0.000 0.850 563 V CB 1.562 33.372 31.823 -0.021 0.000 0.992 563 V HN 0.738 nan 8.190 nan 0.000 0.426 564 L N 4.757 125.967 121.223 -0.021 0.000 2.281 564 L HA 0.592 4.930 4.340 -0.002 0.000 0.285 564 L C 1.111 177.985 176.870 0.006 0.000 1.074 564 L CA 0.019 54.851 54.840 -0.014 0.000 0.817 564 L CB 0.943 42.987 42.059 -0.025 0.000 1.168 564 L HN 0.786 nan 8.230 nan 0.000 0.434 565 G N 1.591 110.387 108.800 -0.007 0.000 2.588 565 G HA2 0.375 4.334 3.960 -0.002 0.000 0.281 565 G HA3 0.375 4.334 3.960 -0.002 0.000 0.281 565 G C 0.801 175.687 174.900 -0.023 0.000 1.236 565 G CA -0.000 45.098 45.100 -0.003 0.000 0.969 565 G HN 0.752 nan 8.290 nan 0.000 0.504 566 G N -1.787 106.999 108.800 -0.023 0.000 3.088 566 G HA2 0.507 4.466 3.960 -0.002 0.000 0.217 566 G HA3 0.507 4.466 3.960 -0.002 0.000 0.217 566 G C 0.988 175.854 174.900 -0.057 0.000 1.159 566 G CA 0.857 45.922 45.100 -0.058 0.000 0.760 566 G HN 1.864 nan 8.290 nan 0.000 0.550 567 G N 0.592 109.357 108.800 -0.059 0.000 2.542 567 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.235 567 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.235 567 G C -2.533 172.337 174.900 -0.050 0.000 1.286 567 G CA -0.335 44.728 45.100 -0.061 0.000 0.904 567 G HN 0.341 nan 8.290 nan 0.000 0.577 568 P HA 0.214 nan 4.420 nan 0.000 0.269 568 P C -0.086 177.197 177.300 -0.027 0.000 1.215 568 P CA -0.007 63.072 63.100 -0.035 0.000 0.780 568 P CB 0.197 31.876 31.700 -0.034 0.000 0.898 569 N N 1.490 120.176 118.700 -0.024 0.000 2.483 569 N HA 0.473 5.212 4.740 -0.002 0.000 0.269 569 N C 0.047 175.547 175.510 -0.015 0.000 1.209 569 N CA -0.255 52.792 53.050 -0.004 0.000 0.969 569 N CB 0.530 39.020 38.487 0.004 0.000 1.173 569 N HN 0.327 nan 8.380 nan 0.000 0.475 570 R N 0.088 120.588 120.500 0.001 0.000 2.752 570 R HA 0.449 4.787 4.340 -0.002 0.000 0.271 570 R C -1.070 175.239 176.300 0.015 0.000 1.026 570 R CA -0.779 55.321 56.100 -0.001 0.000 0.901 570 R CB 0.890 31.185 30.300 -0.009 0.000 1.243 570 R HN 0.405 nan 8.270 nan 0.000 0.463 571 I N 1.839 122.418 120.570 0.015 0.000 2.598 571 I HA 0.160 4.329 4.170 -0.002 0.000 0.284 571 I C 1.179 177.289 176.117 -0.011 0.000 1.140 571 I CA 1.677 62.982 61.300 0.009 0.000 1.420 571 I CB 0.561 38.571 38.000 0.016 0.000 1.387 571 I HN 0.957 nan 8.210 nan 0.000 0.553 572 G N 4.661 113.468 108.800 0.013 0.000 2.195 572 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.246 572 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.246 572 G C 0.313 175.317 174.900 0.173 0.000 0.984 572 G CA -0.379 44.747 45.100 0.043 0.000 0.633 572 G HN 0.534 nan 8.290 nan 0.000 0.525 573 Q N 0.891 120.779 119.800 0.146 0.000 2.928 573 Q HA 0.504 4.843 4.340 -0.002 0.000 0.353 573 Q C 0.802 176.946 176.000 0.240 0.000 0.870 573 Q CA 0.302 56.221 55.803 0.194 0.000 0.963 573 Q CB 0.706 29.438 28.738 -0.011 0.000 1.419 573 Q HN 0.570 nan 8.270 nan 0.000 0.396 574 G N 0.140 109.104 108.800 0.274 0.000 2.510 574 G HA2 0.279 4.238 3.960 -0.002 0.000 0.280 574 G HA3 0.279 4.238 3.960 -0.002 0.000 0.280 574 G C 0.818 175.795 174.900 0.129 0.000 1.386 574 G CA -0.576 44.603 45.100 0.133 0.000 1.047 574 G HN 0.469 nan 8.290 nan 0.000 0.527 575 I N -0.560 120.037 120.570 0.044 0.000 2.530 575 I HA -0.147 4.021 4.170 -0.002 0.000 0.257 575 I C 2.448 178.563 176.117 -0.003 0.000 1.179 575 I CA 1.286 62.608 61.300 0.038 0.000 1.440 575 I CB 0.019 38.036 38.000 0.027 0.000 1.087 575 I HN 0.564 nan 8.210 nan 0.000 0.440 576 E N 0.469 120.587 120.200 -0.136 0.000 2.118 576 E HA -0.236 4.113 4.350 -0.002 0.000 0.195 576 E C 1.792 178.171 176.600 -0.368 0.000 0.992 576 E CA 1.723 57.922 56.400 -0.335 0.000 0.804 576 E CB -0.312 29.062 29.700 -0.544 0.000 0.741 576 E HN 0.517 nan 8.360 nan 0.000 0.458 577 F N 0.227 120.175 119.950 -0.002 0.000 2.293 577 F HA -0.008 4.518 4.527 -0.002 0.000 0.297 577 F C 2.012 177.833 175.800 0.034 0.000 1.089 577 F CA 1.013 59.015 58.000 0.004 0.000 1.377 577 F CB -0.354 38.649 39.000 0.006 0.000 1.051 577 F HN -0.024 nan 8.300 nan 0.000 0.511 578 D N -0.968 119.552 120.400 0.201 0.000 2.144 578 D HA -0.262 4.377 4.640 -0.002 0.000 0.199 578 D C 2.128 178.497 176.300 0.116 0.000 0.984 578 D CA 1.006 55.088 54.000 0.137 0.000 0.834 578 D CB -0.231 40.626 40.800 0.096 0.000 0.955 578 D HN 0.291 nan 8.370 nan 0.000 0.465 579 Y N 0.382 120.647 120.300 -0.058 0.000 2.165 579 Y HA -0.265 4.284 4.550 -0.002 0.000 0.286 579 Y C 2.169 177.962 175.900 -0.177 0.000 1.155 579 Y CA 1.415 59.427 58.100 -0.148 0.000 1.164 579 Y CB -0.529 37.791 38.460 -0.235 0.000 0.978 579 Y HN 0.129 nan 8.280 nan 0.000 0.513 580 C N -0.803 118.546 119.300 0.080 0.000 2.436 580 C HA -0.228 4.231 4.460 -0.002 0.000 0.277 580 C C 3.021 178.122 174.990 0.186 0.000 1.241 580 C CA 1.141 60.141 59.018 -0.029 0.000 1.721 580 C CB -1.643 25.949 27.740 -0.248 0.000 2.043 580 C HN 0.797 nan 8.230 nan 0.000 0.472 581 C N 0.212 119.654 119.300 0.237 0.000 2.398 581 C HA -0.125 4.334 4.460 -0.002 0.000 0.276 581 C C 2.737 177.834 174.990 0.179 0.000 1.222 581 C CA 1.416 60.592 59.018 0.265 0.000 1.746 581 C CB -1.362 26.475 27.740 0.162 0.000 2.039 581 C HN 0.546 nan 8.230 nan 0.000 0.470 582 V N -0.222 119.755 119.914 0.105 0.000 2.252 582 V HA -0.298 3.821 4.120 -0.002 0.000 0.249 582 V C 2.289 178.458 176.094 0.125 0.000 1.056 582 V CA 2.276 64.620 62.300 0.073 0.000 1.022 582 V CB -0.984 30.851 31.823 0.019 0.000 0.641 582 V HN 0.662 nan 8.190 nan 0.000 0.445 583 H N -0.441 118.582 119.070 -0.079 0.000 2.352 583 H HA -0.186 4.369 4.556 -0.002 0.000 0.299 583 H C 2.345 177.713 175.328 0.066 0.000 1.097 583 H CA 1.294 57.307 56.048 -0.057 0.000 1.311 583 H CB -0.008 29.689 29.762 -0.107 0.000 1.377 583 H HN 0.491 nan 8.280 nan 0.000 0.504 584 A N 0.219 123.214 122.820 0.291 0.000 1.883 584 A HA -0.215 4.104 4.320 -0.002 0.000 0.217 584 A C 2.588 180.207 177.584 0.058 0.000 1.186 584 A CA 1.890 54.033 52.037 0.177 0.000 0.624 584 A CB -0.768 18.283 19.000 0.086 0.000 0.822 584 A HN 0.388 nan 8.150 nan 0.000 0.444 585 S N -0.490 115.245 115.700 0.057 0.000 2.355 585 S HA -0.077 4.392 4.470 -0.002 0.000 0.222 585 S C 1.962 176.575 174.600 0.022 0.000 1.031 585 S CA 1.376 59.593 58.200 0.029 0.000 0.993 585 S CB -0.513 62.705 63.200 0.030 0.000 0.859 585 S HN 0.476 nan 8.310 nan 0.000 0.453 586 L N 1.052 122.280 121.223 0.007 0.000 2.083 586 L HA -0.060 4.279 4.340 -0.002 0.000 0.209 586 L C 2.967 179.823 176.870 -0.023 0.000 1.083 586 L CA 1.215 56.039 54.840 -0.025 0.000 0.752 586 L CB -0.838 41.171 42.059 -0.085 0.000 0.899 586 L HN 0.413 nan 8.230 nan 0.000 0.433 587 A N 0.650 123.458 122.820 -0.019 0.000 1.841 587 A HA -0.139 4.180 4.320 -0.002 0.000 0.214 587 A C 2.230 179.846 177.584 0.054 0.000 1.195 587 A CA 1.344 53.383 52.037 0.003 0.000 0.611 587 A CB -0.833 18.178 19.000 0.019 0.000 0.835 587 A HN 0.328 nan 8.150 nan 0.000 0.443 588 L N -0.728 120.538 121.223 0.071 0.000 2.079 588 L HA -0.205 4.134 4.340 -0.002 0.000 0.210 588 L C 2.781 179.766 176.870 0.192 0.000 1.081 588 L CA 1.841 56.775 54.840 0.157 0.000 0.752 588 L CB -0.543 41.530 42.059 0.024 0.000 0.896 588 L HN 0.524 nan 8.230 nan 0.000 0.433 589 R N 0.811 121.372 120.500 0.101 0.000 2.066 589 R HA -0.229 4.110 4.340 -0.002 0.000 0.232 589 R C 2.238 178.572 176.300 0.057 0.000 1.131 589 R CA 1.767 57.917 56.100 0.083 0.000 0.955 589 R CB -0.141 30.190 30.300 0.051 0.000 0.851 589 R HN 0.245 nan 8.270 nan 0.000 0.432 590 E N 0.885 121.108 120.200 0.038 0.000 2.160 590 E HA -0.197 4.151 4.350 -0.002 0.000 0.195 590 E C 0.938 177.548 176.600 0.018 0.000 0.991 590 E CA 1.935 58.346 56.400 0.018 0.000 0.810 590 E CB -0.209 29.493 29.700 0.003 0.000 0.742 590 E HN 0.365 nan 8.360 nan 0.000 0.466 591 D N -1.318 119.110 120.400 0.047 0.000 2.363 591 D HA 0.096 4.735 4.640 -0.002 0.000 0.220 591 D C 1.142 177.404 176.300 -0.065 0.000 0.994 591 D CA 1.067 55.082 54.000 0.026 0.000 0.890 591 D CB 0.331 41.202 40.800 0.117 0.000 0.906 591 D HN 0.395 nan 8.370 nan 0.000 0.530 592 G N -0.787 107.996 108.800 -0.028 0.000 2.213 592 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.226 592 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.226 592 G C 0.090 174.944 174.900 -0.078 0.000 0.992 592 G CA -0.353 44.695 45.100 -0.087 0.000 0.632 592 G HN 0.263 nan 8.290 nan 0.000 0.511 593 Y N 1.264 121.561 120.300 -0.004 0.000 2.357 593 Y HA 0.471 5.020 4.550 -0.002 0.000 0.340 593 Y C 0.950 176.850 175.900 -0.001 0.000 1.260 593 Y CA 0.099 58.196 58.100 -0.004 0.000 1.425 593 Y CB 0.664 39.120 38.460 -0.007 0.000 1.326 593 Y HN 0.270 nan 8.280 nan 0.000 0.580 594 E N 1.630 121.938 120.200 0.180 0.000 2.130 594 E HA 0.239 4.588 4.350 -0.002 0.000 0.284 594 E C -0.895 175.759 176.600 0.089 0.000 1.018 594 E CA -0.633 55.827 56.400 0.100 0.000 0.817 594 E CB 0.509 30.253 29.700 0.074 0.000 1.078 594 E HN 0.660 nan 8.360 nan 0.000 0.396 595 T N 2.188 116.783 114.554 0.068 0.000 2.907 595 T HA 0.571 4.919 4.350 -0.002 0.000 0.284 595 T C 0.078 174.807 174.700 0.048 0.000 1.004 595 T CA -0.780 61.347 62.100 0.045 0.000 1.063 595 T CB 0.740 69.629 68.868 0.035 0.000 0.992 595 T HN 0.386 nan 8.240 nan 0.000 0.483 596 I N 2.659 123.256 120.570 0.046 0.000 2.439 596 I HA 0.386 4.554 4.170 -0.002 0.000 0.285 596 I C -0.501 175.661 176.117 0.074 0.000 1.021 596 I CA -0.922 60.431 61.300 0.088 0.000 1.091 596 I CB 1.980 40.063 38.000 0.138 0.000 1.242 596 I HN 0.561 nan 8.210 nan 0.000 0.439 597 M N 7.762 127.412 119.600 0.084 0.000 2.209 597 M HA 0.506 4.985 4.480 -0.002 0.000 0.355 597 M C -1.241 175.113 176.300 0.091 0.000 1.171 597 M CA -0.385 54.949 55.300 0.056 0.000 1.069 597 M CB 1.322 33.938 32.600 0.026 0.000 1.622 597 M HN 0.302 nan 8.290 nan 0.000 0.459 598 V N 5.939 125.881 119.914 0.047 0.000 2.350 598 V HA 0.670 4.789 4.120 -0.002 0.000 0.285 598 V C -0.509 175.565 176.094 -0.033 0.000 1.014 598 V CA -0.585 61.742 62.300 0.045 0.000 0.831 598 V CB 0.985 32.821 31.823 0.021 0.000 1.000 598 V HN 0.925 nan 8.190 nan 0.000 0.433 599 N N 2.535 121.167 118.700 -0.113 0.000 2.859 599 N HA 0.439 5.178 4.740 -0.002 0.000 0.250 599 N C -0.349 174.831 175.510 -0.549 0.000 1.341 599 N CA -0.355 52.553 53.050 -0.236 0.000 0.881 599 N CB 2.007 40.370 38.487 -0.206 0.000 1.516 599 N HN 0.659 nan 8.380 nan 0.000 0.503 600 C N -0.162 118.836 119.300 -0.502 0.000 3.226 600 C HA 0.524 4.983 4.460 -0.002 0.000 0.258 600 C C 0.151 174.919 174.990 -0.370 0.000 1.688 600 C CA -0.975 57.636 59.018 -0.678 0.000 1.774 600 C CB -1.630 26.008 27.740 -0.170 0.000 3.167 600 C HN 0.571 nan 8.230 nan 0.000 0.509 601 N N 2.929 121.440 118.700 -0.315 0.000 2.426 601 N HA 0.358 5.097 4.740 -0.002 0.000 0.257 601 N C -1.255 174.228 175.510 -0.046 0.000 1.002 601 N CA -2.210 50.774 53.050 -0.110 0.000 0.942 601 N CB 1.806 40.238 38.487 -0.091 0.000 1.112 601 N HN 0.212 nan 8.380 nan 0.000 0.499 602 P HA -0.011 nan 4.420 nan 0.000 0.233 602 P C 0.146 177.366 177.300 -0.133 0.000 1.167 602 P CA 0.972 64.139 63.100 0.111 0.000 0.770 602 P CB 0.506 32.280 31.700 0.122 0.000 0.837 603 E N -0.029 120.096 120.200 -0.125 0.000 2.371 603 E HA 0.007 4.355 4.350 -0.002 0.000 0.194 603 E C 0.911 177.417 176.600 -0.156 0.000 1.012 603 E CA 0.602 56.904 56.400 -0.163 0.000 0.860 603 E CB -0.048 29.592 29.700 -0.100 0.000 0.811 603 E HN 0.380 nan 8.360 nan 0.000 0.502 604 T N -2.546 111.927 114.554 -0.135 0.000 2.912 604 T HA 0.232 4.580 4.350 -0.002 0.000 0.280 604 T C 1.276 175.955 174.700 -0.035 0.000 0.989 604 T CA -0.792 61.278 62.100 -0.051 0.000 0.995 604 T CB 1.811 70.662 68.868 -0.028 0.000 1.077 604 T HN -0.239 nan 8.240 nan 0.000 0.531 605 V N 1.560 121.520 119.914 0.076 0.000 2.759 605 V HA -0.126 3.993 4.120 -0.002 0.000 0.256 605 V C 2.956 179.068 176.094 0.030 0.000 1.080 605 V CA 2.076 64.444 62.300 0.114 0.000 1.101 605 V CB -1.039 30.842 31.823 0.096 0.000 0.698 605 V HN 1.089 nan 8.190 nan 0.000 0.477 606 S N 0.531 116.230 115.700 -0.002 0.000 2.423 606 S HA -0.161 4.307 4.470 -0.002 0.000 0.231 606 S C 1.747 176.309 174.600 -0.064 0.000 1.014 606 S CA 1.478 59.664 58.200 -0.023 0.000 0.965 606 S CB -0.652 62.536 63.200 -0.020 0.000 0.785 606 S HN 0.715 nan 8.310 nan 0.000 0.495 607 T N -0.983 113.515 114.554 -0.094 0.000 3.206 607 T HA 0.219 4.568 4.350 -0.002 0.000 0.253 607 T C -0.081 174.555 174.700 -0.107 0.000 1.042 607 T CA -0.395 61.642 62.100 -0.104 0.000 0.931 607 T CB -0.222 68.583 68.868 -0.104 0.000 1.029 607 T HN 0.279 nan 8.240 nan 0.000 0.564 608 D N 1.285 121.628 120.400 -0.094 0.000 2.256 608 D HA 0.103 4.742 4.640 -0.002 0.000 0.250 608 D C 1.103 177.269 176.300 -0.222 0.000 1.093 608 D CA -1.021 52.902 54.000 -0.128 0.000 0.882 608 D CB 0.943 41.761 40.800 0.030 0.000 1.185 608 D HN 0.397 nan 8.370 nan 0.000 0.437 609 Y N 1.386 121.615 120.300 -0.117 0.000 2.403 609 Y HA -0.031 4.518 4.550 -0.002 0.000 0.291 609 Y C 1.219 177.104 175.900 -0.026 0.000 1.143 609 Y CA 0.705 58.736 58.100 -0.115 0.000 1.257 609 Y CB -0.380 38.038 38.460 -0.070 0.000 0.984 609 Y HN 0.228 nan 8.280 nan 0.000 0.550 610 D N 0.119 120.428 120.400 -0.153 0.000 2.347 610 D HA -0.062 4.576 4.640 -0.002 0.000 0.215 610 D C 1.586 177.880 176.300 -0.009 0.000 0.976 610 D CA 1.268 55.258 54.000 -0.017 0.000 0.884 610 D CB -0.096 40.647 40.800 -0.096 0.000 0.915 610 D HN 0.475 nan 8.370 nan 0.000 0.526 611 T N -0.265 114.271 114.554 -0.029 0.000 2.985 611 T HA -0.007 4.342 4.350 -0.002 0.000 0.266 611 T C 1.142 175.848 174.700 0.010 0.000 1.076 611 T CA 0.534 62.628 62.100 -0.010 0.000 1.135 611 T CB 0.227 69.087 68.868 -0.014 0.000 0.890 611 T HN 0.200 nan 8.240 nan 0.000 0.480 612 S N -0.298 115.415 115.700 0.023 0.000 2.685 612 S HA 0.445 4.914 4.470 -0.002 0.000 0.282 612 S C -0.064 174.562 174.600 0.043 0.000 1.159 612 S CA -0.944 57.275 58.200 0.031 0.000 0.833 612 S CB 1.639 64.857 63.200 0.030 0.000 1.151 612 S HN -0.104 nan 8.310 nan 0.000 0.485 613 D N 0.731 121.156 120.400 0.042 0.000 2.091 613 D HA 0.072 4.711 4.640 -0.002 0.000 0.199 613 D C 0.200 176.518 176.300 0.030 0.000 0.980 613 D CA 1.207 55.231 54.000 0.040 0.000 0.831 613 D CB 0.090 40.914 40.800 0.041 0.000 0.987 613 D HN 0.444 nan 8.370 nan 0.000 0.460 614 R N 0.172 120.686 120.500 0.022 0.000 2.534 614 R HA 0.500 4.839 4.340 -0.002 0.000 0.301 614 R C -1.021 175.270 176.300 -0.014 0.000 0.961 614 R CA -0.765 55.319 56.100 -0.027 0.000 0.871 614 R CB 2.281 32.547 30.300 -0.056 0.000 1.170 614 R HN -0.070 nan 8.270 nan 0.000 0.446 615 L N 3.230 124.425 121.223 -0.047 0.000 2.305 615 L HA 0.426 4.765 4.340 -0.002 0.000 0.284 615 L C -1.632 175.244 176.870 0.011 0.000 1.013 615 L CA -0.517 54.338 54.840 0.024 0.000 0.819 615 L CB 0.822 42.890 42.059 0.015 0.000 1.227 615 L HN 0.532 nan 8.230 nan 0.000 0.417 616 Y N 5.492 125.877 120.300 0.142 0.000 2.478 616 Y HA 0.314 4.863 4.550 -0.002 0.000 0.329 616 Y C -0.418 175.621 175.900 0.232 0.000 0.967 616 Y CA -0.282 57.931 58.100 0.188 0.000 1.255 616 Y CB 0.941 39.447 38.460 0.076 0.000 1.103 616 Y HN 0.546 nan 8.280 nan 0.000 0.497 617 F N 4.699 124.852 119.950 0.338 0.000 2.652 617 F HA 0.264 4.790 4.527 -0.002 0.000 0.352 617 F C -0.061 175.884 175.800 0.242 0.000 1.259 617 F CA -0.146 58.020 58.000 0.278 0.000 1.249 617 F CB -0.296 38.937 39.000 0.388 0.000 1.628 617 F HN 0.401 nan 8.300 nan 0.000 0.654 618 E N 4.127 124.477 120.200 0.250 0.000 2.392 618 E HA 0.376 4.725 4.350 -0.002 0.000 0.269 618 E C -2.705 173.953 176.600 0.097 0.000 0.924 618 E CA -2.366 54.172 56.400 0.229 0.000 0.784 618 E CB 1.504 31.351 29.700 0.245 0.000 1.292 618 E HN 0.080 nan 8.360 nan 0.000 0.447 619 P HA 0.029 nan 4.420 nan 0.000 0.267 619 P C -0.059 177.262 177.300 0.034 0.000 1.205 619 P CA -0.088 63.044 63.100 0.054 0.000 0.765 619 P CB 0.337 32.075 31.700 0.063 0.000 0.828 620 V N 3.906 123.822 119.914 0.003 0.000 2.149 620 V HA 0.138 4.256 4.120 -0.002 0.000 0.245 620 V C 1.035 177.128 176.094 -0.000 0.000 1.349 620 V CA 0.269 62.566 62.300 -0.006 0.000 1.289 620 V CB -1.370 30.437 31.823 -0.027 0.000 1.401 620 V HN 0.688 nan 8.190 nan 0.000 0.501 621 T N 0.039 114.601 114.554 0.014 0.000 2.907 621 T HA 0.553 4.902 4.350 -0.002 0.000 0.290 621 T C 0.650 175.359 174.700 0.015 0.000 1.066 621 T CA -0.706 61.404 62.100 0.015 0.000 1.012 621 T CB 2.042 70.928 68.868 0.030 0.000 1.184 621 T HN 0.099 nan 8.240 nan 0.000 0.522 622 L N 0.840 122.071 121.223 0.014 0.000 2.012 622 L HA 0.037 4.375 4.340 -0.002 0.000 0.210 622 L C 2.661 179.547 176.870 0.027 0.000 1.073 622 L CA 2.445 57.293 54.840 0.013 0.000 0.748 622 L CB -0.942 41.124 42.059 0.011 0.000 0.891 622 L HN 1.000 nan 8.230 nan 0.000 0.431 623 E N -0.699 119.527 120.200 0.042 0.000 2.038 623 E HA -0.268 4.081 4.350 -0.002 0.000 0.195 623 E C 1.742 178.389 176.600 0.078 0.000 1.000 623 E CA 1.855 58.294 56.400 0.066 0.000 0.803 623 E CB -0.226 29.520 29.700 0.076 0.000 0.750 623 E HN 0.618 nan 8.360 nan 0.000 0.448 624 D N 0.185 120.629 120.400 0.074 0.000 2.117 624 D HA -0.145 4.494 4.640 -0.002 0.000 0.197 624 D C 2.193 178.523 176.300 0.050 0.000 0.987 624 D CA 1.287 55.340 54.000 0.087 0.000 0.829 624 D CB -0.136 40.726 40.800 0.103 0.000 0.961 624 D HN 0.175 nan 8.370 nan 0.000 0.460 625 V N 1.575 121.498 119.914 0.014 0.000 2.358 625 V HA -0.193 3.925 4.120 -0.002 0.000 0.246 625 V C 2.686 178.756 176.094 -0.040 0.000 1.047 625 V CA 0.991 63.270 62.300 -0.034 0.000 1.035 625 V CB -0.457 31.347 31.823 -0.031 0.000 0.658 625 V HN 0.162 nan 8.190 nan 0.000 0.452 626 L N -0.420 120.802 121.223 -0.001 0.000 2.046 626 L HA -0.151 4.188 4.340 -0.002 0.000 0.208 626 L C 2.710 179.586 176.870 0.011 0.000 1.077 626 L CA 1.356 56.198 54.840 0.004 0.000 0.747 626 L CB -0.669 41.407 42.059 0.029 0.000 0.896 626 L HN 0.318 nan 8.230 nan 0.000 0.432 627 E N 0.233 120.468 120.200 0.057 0.000 2.153 627 E HA -0.171 4.177 4.350 -0.002 0.000 0.194 627 E C 2.241 178.853 176.600 0.019 0.000 0.988 627 E CA 1.220 57.680 56.400 0.100 0.000 0.811 627 E CB -0.125 29.692 29.700 0.195 0.000 0.746 627 E HN 0.555 nan 8.360 nan 0.000 0.466 628 I N 0.250 120.746 120.570 -0.124 0.000 2.353 628 I HA -0.187 3.981 4.170 -0.002 0.000 0.248 628 I C 2.330 178.262 176.117 -0.307 0.000 1.119 628 I CA 0.448 61.481 61.300 -0.445 0.000 1.417 628 I CB -0.084 37.455 38.000 -0.769 0.000 1.078 628 I HN -0.106 nan 8.210 nan 0.000 0.421 629 V N 1.012 120.814 119.914 -0.186 0.000 2.407 629 V HA -0.275 3.844 4.120 -0.002 0.000 0.248 629 V C 2.616 178.652 176.094 -0.098 0.000 1.055 629 V CA 1.844 64.067 62.300 -0.127 0.000 1.049 629 V CB -0.873 30.900 31.823 -0.084 0.000 0.662 629 V HN 0.440 nan 8.190 nan 0.000 0.455 630 R N 0.906 121.354 120.500 -0.087 0.000 2.103 630 R HA -0.206 4.133 4.340 -0.002 0.000 0.242 630 R C 2.248 178.499 176.300 -0.082 0.000 1.142 630 R CA 2.559 58.612 56.100 -0.079 0.000 0.960 630 R CB -0.351 29.897 30.300 -0.086 0.000 0.858 630 R HN 0.715 nan 8.270 nan 0.000 0.439 631 I N -2.626 117.890 120.570 -0.089 0.000 3.228 631 I HA 0.097 4.266 4.170 -0.002 0.000 0.279 631 I C 1.313 177.394 176.117 -0.060 0.000 1.221 631 I CA 0.544 61.803 61.300 -0.069 0.000 1.458 631 I CB 0.072 38.045 38.000 -0.045 0.000 1.105 631 I HN -0.021 nan 8.210 nan 0.000 0.445 632 E N 1.731 121.880 120.200 -0.084 0.000 2.166 632 E HA 0.002 4.351 4.350 -0.002 0.000 0.192 632 E C 0.193 176.773 176.600 -0.034 0.000 0.967 632 E CA 0.173 56.543 56.400 -0.049 0.000 0.840 632 E CB 0.044 29.706 29.700 -0.064 0.000 0.795 632 E HN 0.401 nan 8.360 nan 0.000 0.470 633 K N 1.232 121.605 120.400 -0.046 0.000 3.451 633 K HA -0.140 4.179 4.320 -0.002 0.000 0.273 633 K C -2.517 174.070 176.600 -0.022 0.000 0.944 633 K CA 0.273 56.541 56.287 -0.032 0.000 0.734 633 K CB -1.081 31.405 32.500 -0.023 0.000 1.437 633 K HN 0.219 nan 8.250 nan 0.000 0.454 634 P HA -0.035 nan 4.420 nan 0.000 0.272 634 P C 0.383 177.672 177.300 -0.018 0.000 1.240 634 P CA -0.251 62.837 63.100 -0.020 0.000 0.791 634 P CB 0.937 32.615 31.700 -0.037 0.000 0.978 635 K N 0.011 120.406 120.400 -0.008 0.000 2.103 635 K HA 0.053 4.372 4.320 -0.002 0.000 0.204 635 K C 0.816 177.394 176.600 -0.035 0.000 1.052 635 K CA 1.231 57.515 56.287 -0.005 0.000 0.945 635 K CB -0.334 32.184 32.500 0.029 0.000 0.722 635 K HN 0.710 nan 8.250 nan 0.000 0.443 636 G N -0.469 108.290 108.800 -0.069 0.000 2.690 636 G HA2 0.494 4.452 3.960 -0.002 0.000 0.291 636 G HA3 0.494 4.452 3.960 -0.002 0.000 0.291 636 G C -1.867 172.974 174.900 -0.100 0.000 1.403 636 G CA -0.637 44.410 45.100 -0.088 0.000 0.864 636 G HN -0.038 nan 8.290 nan 0.000 0.480 637 V N 1.227 121.084 119.914 -0.094 0.000 2.577 637 V HA 0.426 4.545 4.120 -0.002 0.000 0.303 637 V C -0.237 175.792 176.094 -0.108 0.000 1.042 637 V CA -0.579 61.664 62.300 -0.093 0.000 0.872 637 V CB 1.669 33.449 31.823 -0.072 0.000 0.998 637 V HN 0.663 nan 8.190 nan 0.000 0.423 638 I N 5.159 125.649 120.570 -0.134 0.000 2.325 638 I HA 0.218 4.387 4.170 -0.002 0.000 0.291 638 I C 0.964 177.017 176.117 -0.106 0.000 1.019 638 I CA -0.095 61.102 61.300 -0.172 0.000 1.302 638 I CB 1.692 39.515 38.000 -0.296 0.000 1.401 638 I HN 0.634 nan 8.210 nan 0.000 0.485 639 V N 2.200 122.071 119.914 -0.072 0.000 3.645 639 V HA 0.110 4.228 4.120 -0.002 0.000 0.275 639 V C 1.265 177.369 176.094 0.017 0.000 1.356 639 V CA 0.301 62.584 62.300 -0.028 0.000 1.051 639 V CB 0.100 31.906 31.823 -0.028 0.000 0.828 639 V HN 0.745 nan 8.190 nan 0.000 0.441 640 Q N -0.639 119.195 119.800 0.056 0.000 2.424 640 Q HA 0.233 4.572 4.340 -0.002 0.000 0.204 640 Q C 1.422 177.650 176.000 0.380 0.000 0.933 640 Q CA 0.990 56.898 55.803 0.176 0.000 0.929 640 Q CB -0.097 28.750 28.738 0.180 0.000 1.037 640 Q HN 0.756 nan 8.270 nan 0.000 0.511 641 Y N -1.433 118.906 120.300 0.065 0.000 2.481 641 Y HA 0.333 4.882 4.550 -0.002 0.000 0.258 641 Y C 1.963 177.970 175.900 0.178 0.000 1.103 641 Y CA 0.089 58.270 58.100 0.135 0.000 1.287 641 Y CB 0.138 38.657 38.460 0.098 0.000 1.108 641 Y HN 0.094 nan 8.280 nan 0.000 0.529 642 G N -0.623 108.298 108.800 0.202 0.000 3.042 642 G HA2 0.407 4.366 3.960 -0.002 0.000 0.212 642 G HA3 0.407 4.366 3.960 -0.002 0.000 0.212 642 G C 0.933 175.696 174.900 -0.228 0.000 1.166 642 G CA 0.533 45.673 45.100 0.066 0.000 0.767 642 G HN 0.589 nan 8.290 nan 0.000 0.546 643 G N -0.120 108.389 108.800 -0.486 0.000 2.508 643 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.220 643 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.220 643 G C 0.747 175.367 174.900 -0.467 0.000 1.287 643 G CA 0.259 44.720 45.100 -1.065 0.000 0.916 643 G HN 0.110 nan 8.290 nan 0.000 0.574 644 Q N -0.307 119.248 119.800 -0.408 0.000 2.061 644 Q HA -0.060 4.279 4.340 -0.002 0.000 0.204 644 Q C 2.983 178.894 176.000 -0.147 0.000 0.984 644 Q CA 2.549 58.224 55.803 -0.213 0.000 0.846 644 Q CB -1.278 27.359 28.738 -0.168 0.000 0.902 644 Q HN 0.760 nan 8.270 nan 0.000 0.421 645 T N 2.056 116.520 114.554 -0.149 0.000 2.505 645 T HA -0.179 4.170 4.350 -0.002 0.000 0.259 645 T C -1.019 173.636 174.700 -0.076 0.000 1.158 645 T CA 2.463 64.505 62.100 -0.097 0.000 1.190 645 T CB -1.334 67.481 68.868 -0.089 0.000 0.864 645 T HN 0.285 nan 8.240 nan 0.000 0.413 646 P HA 0.011 nan 4.420 nan 0.000 0.217 646 P C 1.741 179.012 177.300 -0.047 0.000 1.150 646 P CA 0.692 63.762 63.100 -0.050 0.000 0.832 646 P CB -0.266 31.411 31.700 -0.038 0.000 0.787 647 L N 0.285 121.472 121.223 -0.061 0.000 2.013 647 L HA -0.177 4.161 4.340 -0.002 0.000 0.212 647 L C 2.210 179.054 176.870 -0.042 0.000 1.073 647 L CA 2.105 56.915 54.840 -0.049 0.000 0.753 647 L CB -1.131 40.889 42.059 -0.066 0.000 0.890 647 L HN -0.170 nan 8.230 nan 0.000 0.432 648 K N -1.098 119.272 120.400 -0.050 0.000 2.442 648 K HA -0.072 4.247 4.320 -0.002 0.000 0.198 648 K C 1.690 178.272 176.600 -0.029 0.000 1.044 648 K CA 0.758 57.022 56.287 -0.039 0.000 0.948 648 K CB -0.065 32.410 32.500 -0.043 0.000 0.762 648 K HN 0.365 nan 8.250 nan 0.000 0.472 649 L N -1.051 120.155 121.223 -0.029 0.000 2.556 649 L HA 0.152 4.491 4.340 -0.002 0.000 0.226 649 L C 2.198 179.056 176.870 -0.020 0.000 1.089 649 L CA 0.016 54.843 54.840 -0.022 0.000 0.864 649 L CB -0.186 41.859 42.059 -0.022 0.000 1.067 649 L HN 0.089 nan 8.230 nan 0.000 0.477 650 A N 1.023 123.830 122.820 -0.022 0.000 1.884 650 A HA -0.315 4.004 4.320 -0.002 0.000 0.219 650 A C 2.362 179.937 177.584 -0.015 0.000 1.197 650 A CA 2.266 54.292 52.037 -0.019 0.000 0.637 650 A CB -0.563 18.426 19.000 -0.018 0.000 0.827 650 A HN 0.315 nan 8.150 nan 0.000 0.450 651 R N -0.938 119.554 120.500 -0.012 0.000 2.083 651 R HA -0.120 4.219 4.340 -0.002 0.000 0.237 651 R C 2.461 178.756 176.300 -0.008 0.000 1.137 651 R CA 1.588 57.683 56.100 -0.008 0.000 0.951 651 R CB -0.449 29.848 30.300 -0.006 0.000 0.851 651 R HN 0.531 nan 8.270 nan 0.000 0.434 652 A N 0.457 123.272 122.820 -0.008 0.000 1.930 652 A HA -0.118 4.201 4.320 -0.002 0.000 0.217 652 A C 2.112 179.692 177.584 -0.007 0.000 1.175 652 A CA 1.109 53.143 52.037 -0.006 0.000 0.627 652 A CB -0.475 18.522 19.000 -0.004 0.000 0.815 652 A HN 0.252 nan 8.150 nan 0.000 0.443 653 L N -1.014 120.202 121.223 -0.011 0.000 1.976 653 L HA -0.206 4.133 4.340 -0.002 0.000 0.209 653 L C 2.670 179.532 176.870 -0.014 0.000 1.071 653 L CA 1.897 56.728 54.840 -0.014 0.000 0.746 653 L CB -0.654 41.392 42.059 -0.022 0.000 0.890 653 L HN 0.503 nan 8.230 nan 0.000 0.432 654 E N 0.129 120.321 120.200 -0.014 0.000 2.097 654 E HA -0.296 4.052 4.350 -0.002 0.000 0.196 654 E C 2.187 178.782 176.600 -0.008 0.000 1.000 654 E CA 1.388 57.780 56.400 -0.012 0.000 0.804 654 E CB -0.038 29.656 29.700 -0.010 0.000 0.740 654 E HN 0.483 nan 8.360 nan 0.000 0.454 655 A N 1.055 123.871 122.820 -0.006 0.000 1.883 655 A HA -0.114 4.205 4.320 -0.002 0.000 0.217 655 A C 2.274 179.856 177.584 -0.003 0.000 1.186 655 A CA 1.775 53.810 52.037 -0.004 0.000 0.624 655 A CB -0.652 18.347 19.000 -0.002 0.000 0.822 655 A HN 0.361 nan 8.150 nan 0.000 0.444 656 A N -1.651 121.167 122.820 -0.004 0.000 2.255 656 A HA 0.389 4.708 4.320 -0.002 0.000 0.206 656 A C 1.646 179.227 177.584 -0.005 0.000 1.193 656 A CA 1.245 53.281 52.037 -0.002 0.000 0.794 656 A CB -1.215 17.786 19.000 0.001 0.000 0.794 656 A HN 2.031 nan 8.150 nan 0.000 0.481 657 G N -1.679 107.116 108.800 -0.008 0.000 2.130 657 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.216 657 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.216 657 G C 0.003 174.893 174.900 -0.016 0.000 0.999 657 G CA -0.011 45.082 45.100 -0.010 0.000 0.686 657 G HN 0.748 nan 8.290 nan 0.000 0.515 658 V N 1.489 121.392 119.914 -0.019 0.000 2.607 658 V HA 0.484 4.603 4.120 -0.002 0.000 0.289 658 V C -1.252 174.826 176.094 -0.027 0.000 1.053 658 V CA -1.197 61.087 62.300 -0.026 0.000 0.996 658 V CB 1.568 33.373 31.823 -0.030 0.000 0.995 658 V HN 0.208 nan 8.190 nan 0.000 0.476 659 P HA 0.174 nan 4.420 nan 0.000 0.231 659 P C -0.400 176.874 177.300 -0.042 0.000 1.811 659 P CA -0.123 62.958 63.100 -0.032 0.000 1.051 659 P CB 0.153 31.834 31.700 -0.031 0.000 1.951 660 V N 4.942 124.833 119.914 -0.038 0.000 2.479 660 V HA 0.050 4.169 4.120 -0.002 0.000 0.281 660 V C 1.265 177.331 176.094 -0.046 0.000 1.031 660 V CA -0.112 62.161 62.300 -0.045 0.000 1.038 660 V CB -0.113 31.690 31.823 -0.034 0.000 0.981 660 V HN 0.342 nan 8.190 nan 0.000 0.478 661 I N 2.817 123.348 120.570 -0.066 0.000 3.062 661 I HA 1.017 5.186 4.170 -0.002 0.000 0.318 661 I C 0.762 176.844 176.117 -0.058 0.000 1.026 661 I CA 0.007 61.270 61.300 -0.063 0.000 1.096 661 I CB 1.153 39.101 38.000 -0.087 0.000 1.348 661 I HN 0.851 nan 8.210 nan 0.000 0.543 662 G N 1.862 110.638 108.800 -0.039 0.000 2.693 662 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.226 662 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.226 662 G C -0.148 174.753 174.900 0.002 0.000 1.354 662 G CA -0.326 44.763 45.100 -0.019 0.000 0.873 662 G HN 1.001 nan 8.290 nan 0.000 0.562 663 T N 1.259 115.824 114.554 0.019 0.000 2.750 663 T HA 0.384 4.733 4.350 -0.002 0.000 0.277 663 T C 1.367 176.075 174.700 0.015 0.000 0.996 663 T CA 0.930 63.046 62.100 0.026 0.000 1.195 663 T CB 0.214 69.104 68.868 0.036 0.000 0.963 663 T HN 1.923 nan 8.240 nan 0.000 0.516 664 S N 4.384 120.094 115.700 0.015 0.000 2.566 664 S HA 0.075 4.544 4.470 -0.002 0.000 0.280 664 S C -1.537 173.068 174.600 0.008 0.000 1.343 664 S CA -1.126 57.079 58.200 0.009 0.000 1.036 664 S CB 0.615 63.822 63.200 0.013 0.000 0.866 664 S HN 0.339 nan 8.310 nan 0.000 0.526 665 P HA -0.039 nan 4.420 nan 0.000 0.218 665 P C 0.830 178.133 177.300 0.004 0.000 1.149 665 P CA 1.348 64.448 63.100 -0.000 0.000 0.817 665 P CB -0.050 31.647 31.700 -0.005 0.000 0.785 666 D N -0.861 119.544 120.400 0.008 0.000 2.149 666 D HA -0.079 4.560 4.640 -0.002 0.000 0.201 666 D C 1.980 178.292 176.300 0.020 0.000 0.972 666 D CA 1.058 55.066 54.000 0.013 0.000 0.835 666 D CB -0.437 40.371 40.800 0.015 0.000 0.966 666 D HN -0.077 nan 8.370 nan 0.000 0.476 667 A N 0.163 122.997 122.820 0.023 0.000 1.908 667 A HA -0.148 4.170 4.320 -0.002 0.000 0.218 667 A C 2.268 179.865 177.584 0.021 0.000 1.181 667 A CA 1.105 53.160 52.037 0.031 0.000 0.627 667 A CB -0.803 18.218 19.000 0.036 0.000 0.818 667 A HN 0.346 nan 8.150 nan 0.000 0.445 668 I N -0.320 120.256 120.570 0.010 0.000 2.179 668 I HA -0.260 3.908 4.170 -0.002 0.000 0.242 668 I C 2.294 178.401 176.117 -0.016 0.000 1.088 668 I CA 1.998 63.294 61.300 -0.006 0.000 1.357 668 I CB -0.372 37.625 38.000 -0.005 0.000 1.051 668 I HN 0.470 nan 8.210 nan 0.000 0.409 669 D N 0.534 120.932 120.400 -0.004 0.000 2.178 669 D HA -0.180 4.459 4.640 -0.002 0.000 0.201 669 D C 2.346 178.654 176.300 0.013 0.000 0.980 669 D CA 1.079 55.079 54.000 -0.001 0.000 0.842 669 D CB 0.083 40.886 40.800 0.006 0.000 0.948 669 D HN 0.061 nan 8.370 nan 0.000 0.472 670 R N -0.060 120.458 120.500 0.030 0.000 2.081 670 R HA -0.079 4.260 4.340 -0.002 0.000 0.235 670 R C 2.204 178.552 176.300 0.080 0.000 1.131 670 R CA 1.253 57.394 56.100 0.068 0.000 0.960 670 R CB -0.413 29.934 30.300 0.079 0.000 0.856 670 R HN 0.283 nan 8.270 nan 0.000 0.436 671 A N 1.293 124.111 122.820 -0.003 0.000 1.854 671 A HA -0.111 4.208 4.320 -0.002 0.000 0.214 671 A C 1.891 179.322 177.584 -0.255 0.000 1.192 671 A CA 0.938 52.873 52.037 -0.170 0.000 0.611 671 A CB -0.286 18.601 19.000 -0.188 0.000 0.832 671 A HN 0.199 nan 8.150 nan 0.000 0.442 672 E N 0.654 120.771 120.200 -0.140 0.000 2.209 672 E HA -0.155 4.194 4.350 -0.002 0.000 0.196 672 E C 0.047 176.610 176.600 -0.062 0.000 0.993 672 E CA 0.694 57.028 56.400 -0.111 0.000 0.819 672 E CB -0.318 29.341 29.700 -0.067 0.000 0.745 672 E HN 0.591 nan 8.360 nan 0.000 0.477 673 D N 0.348 120.741 120.400 -0.011 0.000 2.365 673 D HA 0.051 4.690 4.640 -0.002 0.000 0.237 673 D C 0.701 177.067 176.300 0.111 0.000 1.190 673 D CA -0.221 53.807 54.000 0.045 0.000 0.867 673 D CB 0.659 41.495 40.800 0.059 0.000 1.050 673 D HN -0.129 nan 8.370 nan 0.000 0.491 674 R N 3.045 123.601 120.500 0.094 0.000 2.133 674 R HA -0.240 4.098 4.340 -0.002 0.000 0.245 674 R C 1.855 178.245 176.300 0.151 0.000 1.137 674 R CA 1.776 57.953 56.100 0.129 0.000 0.947 674 R CB -0.311 30.034 30.300 0.076 0.000 0.865 674 R HN 0.552 nan 8.270 nan 0.000 0.437 675 E N 0.305 120.577 120.200 0.120 0.000 2.005 675 E HA -0.175 4.174 4.350 -0.002 0.000 0.198 675 E C 2.177 178.911 176.600 0.224 0.000 1.010 675 E CA 1.341 57.821 56.400 0.134 0.000 0.825 675 E CB -0.166 29.614 29.700 0.133 0.000 0.769 675 E HN 0.242 nan 8.360 nan 0.000 0.456 676 R N 0.045 120.678 120.500 0.221 0.000 2.113 676 R HA -0.212 4.127 4.340 -0.002 0.000 0.244 676 R C 2.373 178.844 176.300 0.284 0.000 1.142 676 R CA 1.497 57.736 56.100 0.232 0.000 0.953 676 R CB -0.807 29.587 30.300 0.156 0.000 0.860 676 R HN 0.195 nan 8.270 nan 0.000 0.438 677 F N 2.079 122.077 119.950 0.081 0.000 2.026 677 F HA -0.234 4.292 4.527 -0.002 0.000 0.296 677 F C 2.723 178.554 175.800 0.051 0.000 1.133 677 F CA 1.861 59.895 58.000 0.056 0.000 1.188 677 F CB -0.840 38.176 39.000 0.027 0.000 0.968 677 F HN 0.037 nan 8.300 nan 0.000 0.476 678 Q N -1.146 118.638 119.800 -0.028 0.000 2.325 678 Q HA -0.294 4.045 4.340 -0.002 0.000 0.211 678 Q C 1.896 177.761 176.000 -0.226 0.000 0.988 678 Q CA 2.082 57.770 55.803 -0.192 0.000 0.887 678 Q CB -0.304 28.352 28.738 -0.137 0.000 0.915 678 Q HN 0.671 nan 8.270 nan 0.000 0.440 679 H N -1.372 117.647 119.070 -0.084 0.000 2.355 679 H HA 0.070 4.625 4.556 -0.002 0.000 0.303 679 H C 2.014 177.289 175.328 -0.087 0.000 1.061 679 H CA 1.050 57.063 56.048 -0.059 0.000 1.368 679 H CB 0.063 29.819 29.762 -0.010 0.000 1.412 679 H HN 0.385 nan 8.280 nan 0.000 0.523 680 A N 0.405 123.248 122.820 0.038 0.000 1.883 680 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 680 A C 2.486 179.996 177.584 -0.122 0.000 1.186 680 A CA 1.788 53.813 52.037 -0.021 0.000 0.624 680 A CB -1.170 17.851 19.000 0.035 0.000 0.822 680 A HN 0.343 nan 8.150 nan 0.000 0.444 681 V N -0.091 119.632 119.914 -0.319 0.000 2.392 681 V HA -0.300 3.819 4.120 -0.002 0.000 0.249 681 V C 2.227 178.233 176.094 -0.147 0.000 1.059 681 V CA 2.966 65.081 62.300 -0.308 0.000 1.051 681 V CB -0.528 31.005 31.823 -0.483 0.000 0.658 681 V HN 0.739 nan 8.190 nan 0.000 0.455 682 E N -0.350 119.781 120.200 -0.115 0.000 2.033 682 E HA -0.182 4.167 4.350 -0.002 0.000 0.189 682 E C 2.373 178.956 176.600 -0.028 0.000 0.979 682 E CA 1.186 57.550 56.400 -0.061 0.000 0.802 682 E CB -0.326 29.347 29.700 -0.045 0.000 0.763 682 E HN 0.586 nan 8.360 nan 0.000 0.449 683 R N 0.900 121.396 120.500 -0.007 0.000 2.113 683 R HA -0.193 4.146 4.340 -0.002 0.000 0.244 683 R C 1.928 178.229 176.300 0.002 0.000 1.142 683 R CA 1.487 57.593 56.100 0.010 0.000 0.953 683 R CB -0.313 30.001 30.300 0.024 0.000 0.860 683 R HN 0.187 nan 8.270 nan 0.000 0.438 684 L N 0.320 121.538 121.223 -0.008 0.000 2.554 684 L HA 0.085 4.424 4.340 -0.002 0.000 0.226 684 L C 0.122 176.985 176.870 -0.011 0.000 1.137 684 L CA 0.311 55.151 54.840 0.000 0.000 0.863 684 L CB 0.139 42.202 42.059 0.006 0.000 0.985 684 L HN 0.184 nan 8.230 nan 0.000 0.451 685 K N 0.540 120.925 120.400 -0.025 0.000 3.239 685 K HA -0.155 4.164 4.320 -0.002 0.000 0.270 685 K C -0.829 175.745 176.600 -0.043 0.000 1.049 685 K CA 0.568 56.835 56.287 -0.033 0.000 0.769 685 K CB -1.796 30.689 32.500 -0.025 0.000 1.305 685 K HN 0.217 nan 8.250 nan 0.000 0.469 686 L N -0.018 121.174 121.223 -0.051 0.000 2.334 686 L HA 0.424 4.763 4.340 -0.002 0.000 0.270 686 L C 0.720 177.554 176.870 -0.061 0.000 1.018 686 L CA -1.114 53.698 54.840 -0.046 0.000 0.811 686 L CB 1.321 43.370 42.059 -0.016 0.000 1.271 686 L HN 0.020 nan 8.230 nan 0.000 0.443 687 K N 2.000 122.358 120.400 -0.070 0.000 2.249 687 K HA 0.342 4.661 4.320 -0.002 0.000 0.280 687 K C -0.766 175.865 176.600 0.051 0.000 1.033 687 K CA -0.277 55.959 56.287 -0.084 0.000 0.946 687 K CB 1.347 33.650 32.500 -0.328 0.000 1.005 687 K HN 0.508 nan 8.250 nan 0.000 0.469 688 Q N 2.527 122.394 119.800 0.112 0.000 2.379 688 Q HA 0.360 4.698 4.340 -0.002 0.000 0.278 688 Q C -2.493 173.631 176.000 0.206 0.000 1.068 688 Q CA -2.070 53.824 55.803 0.152 0.000 0.816 688 Q CB 2.401 31.152 28.738 0.022 0.000 1.387 688 Q HN 0.383 nan 8.270 nan 0.000 0.413 689 P HA 0.085 nan 4.420 nan 0.000 0.269 689 P C -1.212 176.141 177.300 0.088 0.000 1.215 689 P CA -0.105 63.056 63.100 0.102 0.000 0.780 689 P CB 0.412 32.123 31.700 0.018 0.000 0.898 690 A N 2.920 125.794 122.820 0.091 0.000 2.488 690 A HA 0.356 4.675 4.320 -0.002 0.000 0.249 690 A C 0.448 178.054 177.584 0.037 0.000 1.083 690 A CA -0.003 52.057 52.037 0.039 0.000 0.768 690 A CB -1.007 17.984 19.000 -0.015 0.000 1.017 690 A HN 0.782 nan 8.150 nan 0.000 0.496 691 N N 0.255 118.962 118.700 0.012 0.000 2.416 691 N HA 0.822 5.561 4.740 -0.002 0.000 0.276 691 N C -0.830 174.677 175.510 -0.004 0.000 1.261 691 N CA -0.114 52.941 53.050 0.007 0.000 0.790 691 N CB 1.886 40.383 38.487 0.017 0.000 1.554 691 N HN 0.900 nan 8.380 nan 0.000 0.481 692 A N -0.412 122.409 122.820 0.001 0.000 2.588 692 A HA 0.821 5.140 4.320 -0.002 0.000 0.290 692 A C -1.487 176.108 177.584 0.017 0.000 1.136 692 A CA -0.744 51.294 52.037 0.003 0.000 0.681 692 A CB 1.341 20.340 19.000 -0.002 0.000 1.282 692 A HN 0.629 nan 8.150 nan 0.000 0.421 693 T N 1.253 115.820 114.554 0.022 0.000 3.068 693 T HA 0.490 4.839 4.350 -0.002 0.000 0.364 693 T C -0.712 174.014 174.700 0.042 0.000 1.161 693 T CA -0.202 61.920 62.100 0.036 0.000 1.155 693 T CB 0.464 69.352 68.868 0.033 0.000 1.060 693 T HN 0.621 nan 8.240 nan 0.000 0.513 694 V N 2.827 122.778 119.914 0.062 0.000 2.644 694 V HA 0.338 4.457 4.120 -0.002 0.000 0.295 694 V C 1.230 177.373 176.094 0.082 0.000 1.053 694 V CA -0.275 62.061 62.300 0.060 0.000 0.987 694 V CB 1.531 33.389 31.823 0.058 0.000 1.006 694 V HN 0.870 nan 8.190 nan 0.000 0.472 695 T N 1.436 116.020 114.554 0.049 0.000 3.071 695 T HA 0.358 4.707 4.350 -0.002 0.000 0.239 695 T C 0.569 175.295 174.700 0.044 0.000 0.997 695 T CA 0.722 62.854 62.100 0.054 0.000 1.134 695 T CB 0.396 69.283 68.868 0.031 0.000 0.928 695 T HN 0.791 nan 8.240 nan 0.000 0.453 696 A N 0.338 123.150 122.820 -0.013 0.000 2.330 696 A HA 0.692 5.011 4.320 -0.002 0.000 0.329 696 A C 0.828 178.286 177.584 -0.210 0.000 1.135 696 A CA -0.645 51.351 52.037 -0.067 0.000 0.817 696 A CB 0.520 19.489 19.000 -0.052 0.000 1.269 696 A HN 0.100 nan 8.150 nan 0.000 0.469 697 I N 0.766 121.143 120.570 -0.322 0.000 2.044 697 I HA -0.266 3.903 4.170 -0.002 0.000 0.234 697 I C 2.130 178.027 176.117 -0.366 0.000 1.031 697 I CA 2.119 63.067 61.300 -0.588 0.000 1.305 697 I CB -0.735 37.042 38.000 -0.372 0.000 1.026 697 I HN 0.860 nan 8.210 nan 0.000 0.392 698 E N -0.377 119.704 120.200 -0.198 0.000 2.333 698 E HA -0.260 4.089 4.350 -0.002 0.000 0.200 698 E C 2.083 178.627 176.600 -0.093 0.000 1.010 698 E CA 1.114 57.444 56.400 -0.117 0.000 0.841 698 E CB -0.336 29.321 29.700 -0.071 0.000 0.757 698 E HN 0.501 nan 8.360 nan 0.000 0.508 699 M N -0.898 118.636 119.600 -0.109 0.000 2.388 699 M HA 0.046 4.525 4.480 -0.002 0.000 0.265 699 M C 1.868 178.127 176.300 -0.068 0.000 1.088 699 M CA 0.993 56.252 55.300 -0.068 0.000 1.134 699 M CB 0.178 32.749 32.600 -0.048 0.000 1.384 699 M HN 0.157 nan 8.290 nan 0.000 0.447 700 A N 0.377 123.119 122.820 -0.130 0.000 1.824 700 A HA -0.111 4.208 4.320 -0.002 0.000 0.215 700 A C 1.942 179.504 177.584 -0.037 0.000 1.209 700 A CA 1.969 53.943 52.037 -0.105 0.000 0.614 700 A CB -1.349 17.508 19.000 -0.238 0.000 0.852 700 A HN 0.333 nan 8.150 nan 0.000 0.447 701 V N 0.436 120.329 119.914 -0.035 0.000 2.265 701 V HA -0.404 3.715 4.120 -0.002 0.000 0.259 701 V C 2.585 178.717 176.094 0.064 0.000 1.084 701 V CA 2.989 65.320 62.300 0.051 0.000 1.076 701 V CB -1.110 30.728 31.823 0.025 0.000 0.680 701 V HN 0.784 nan 8.190 nan 0.000 0.452 702 E N 0.504 120.714 120.200 0.017 0.000 1.998 702 E HA -0.247 4.102 4.350 -0.002 0.000 0.196 702 E C 2.141 178.750 176.600 0.015 0.000 1.003 702 E CA 1.919 58.328 56.400 0.016 0.000 0.829 702 E CB -0.436 29.262 29.700 -0.003 0.000 0.777 702 E HN 0.427 nan 8.360 nan 0.000 0.460 703 K N -0.106 120.292 120.400 -0.003 0.000 2.173 703 K HA -0.158 4.161 4.320 -0.002 0.000 0.207 703 K C 1.812 178.398 176.600 -0.023 0.000 1.046 703 K CA 1.528 57.808 56.287 -0.011 0.000 0.929 703 K CB -0.602 31.890 32.500 -0.012 0.000 0.720 703 K HN 0.273 nan 8.250 nan 0.000 0.453 704 A N 0.556 123.363 122.820 -0.023 0.000 1.873 704 A HA -0.179 4.140 4.320 -0.002 0.000 0.215 704 A C 1.863 179.442 177.584 -0.008 0.000 1.186 704 A CA 1.836 53.814 52.037 -0.098 0.000 0.616 704 A CB -0.423 18.517 19.000 -0.100 0.000 0.823 704 A HN 0.311 nan 8.150 nan 0.000 0.442 705 K N -0.296 120.176 120.400 0.120 0.000 2.218 705 K HA -0.209 4.110 4.320 -0.002 0.000 0.205 705 K C 2.005 178.648 176.600 0.070 0.000 1.046 705 K CA 1.680 58.058 56.287 0.152 0.000 0.933 705 K CB -0.083 32.476 32.500 0.098 0.000 0.728 705 K HN 0.774 nan 8.250 nan 0.000 0.454 706 E N 0.631 120.844 120.200 0.021 0.000 2.122 706 E HA -0.081 4.268 4.350 -0.002 0.000 0.190 706 E C 1.793 178.367 176.600 -0.043 0.000 0.977 706 E CA 0.595 56.990 56.400 -0.009 0.000 0.820 706 E CB 0.145 29.838 29.700 -0.011 0.000 0.770 706 E HN 0.213 nan 8.360 nan 0.000 0.462 707 I N 0.492 121.025 120.570 -0.062 0.000 2.584 707 I HA 0.120 4.289 4.170 -0.002 0.000 0.255 707 I C 0.839 176.858 176.117 -0.163 0.000 1.145 707 I CA 0.864 62.105 61.300 -0.099 0.000 1.462 707 I CB 0.374 38.328 38.000 -0.075 0.000 1.102 707 I HN 0.300 nan 8.210 nan 0.000 0.433 708 G N -0.133 108.615 108.800 -0.086 0.000 2.767 708 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.686 708 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.686 708 G C -0.828 174.140 174.900 0.113 0.000 1.213 708 G CA -0.901 44.203 45.100 0.007 0.000 0.803 708 G HN 0.026 nan 8.290 nan 0.000 0.603 709 Y N 2.122 122.503 120.300 0.135 0.000 2.307 709 Y HA 0.565 5.114 4.550 -0.002 0.000 0.324 709 Y C -0.831 175.173 175.900 0.175 0.000 1.238 709 Y CA -1.507 56.668 58.100 0.125 0.000 1.280 709 Y CB 0.570 39.068 38.460 0.063 0.000 1.248 709 Y HN 0.563 nan 8.280 nan 0.000 0.508 710 P HA 0.216 nan 4.420 nan 0.000 0.271 710 P C -1.113 176.130 177.300 -0.094 0.000 1.233 710 P CA -0.127 62.951 63.100 -0.036 0.000 0.789 710 P CB 0.889 32.409 31.700 -0.299 0.000 0.951 711 L N 0.268 121.351 121.223 -0.233 0.000 2.381 711 L HA 0.373 4.712 4.340 -0.002 0.000 0.268 711 L C -0.466 176.263 176.870 -0.236 0.000 0.997 711 L CA -1.195 53.509 54.840 -0.226 0.000 0.818 711 L CB 2.509 44.364 42.059 -0.340 0.000 1.310 711 L HN 0.013 nan 8.230 nan 0.000 0.416 712 V N 3.995 123.820 119.914 -0.149 0.000 2.339 712 V HA 0.168 4.287 4.120 -0.002 0.000 0.261 712 V C -0.062 175.929 176.094 -0.172 0.000 1.058 712 V CA -0.443 61.765 62.300 -0.153 0.000 0.897 712 V CB 1.399 33.198 31.823 -0.040 0.000 1.052 712 V HN 0.388 nan 8.190 nan 0.000 0.480 713 V N 7.121 126.869 119.914 -0.276 0.000 2.356 713 V HA 0.335 4.454 4.120 -0.002 0.000 0.258 713 V C 0.715 176.675 176.094 -0.223 0.000 1.065 713 V CA -0.461 61.648 62.300 -0.317 0.000 0.935 713 V CB 0.464 31.891 31.823 -0.660 0.000 1.061 713 V HN 0.758 nan 8.190 nan 0.000 0.484 724 M N 1.236 120.832 119.600 -0.007 0.000 2.188 724 M HA 0.318 4.797 4.480 -0.002 0.000 0.354 724 M C 0.317 176.569 176.300 -0.080 0.000 1.342 724 M CA 0.737 56.009 55.300 -0.047 0.000 1.117 724 M CB 0.839 33.424 32.600 -0.026 0.000 1.670 724 M HN 0.708 nan 8.290 nan 0.000 0.466 725 E N 3.425 123.511 120.200 -0.189 0.000 2.359 725 E HA 0.603 4.952 4.350 -0.002 0.000 0.266 725 E C -1.543 174.880 176.600 -0.296 0.000 0.920 725 E CA -0.734 55.540 56.400 -0.211 0.000 0.788 725 E CB 1.958 31.551 29.700 -0.178 0.000 1.279 725 E HN 0.604 nan 8.360 nan 0.000 0.438 726 I N 3.231 123.645 120.570 -0.259 0.000 2.382 726 I HA 0.261 4.430 4.170 -0.002 0.000 0.285 726 I C -0.670 175.302 176.117 -0.242 0.000 1.007 726 I CA -0.947 60.124 61.300 -0.382 0.000 1.142 726 I CB 1.501 39.110 38.000 -0.652 0.000 1.289 726 I HN 0.261 nan 8.210 nan 0.000 0.453 727 V N 6.623 126.390 119.914 -0.247 0.000 2.432 727 V HA 0.131 4.250 4.120 -0.002 0.000 0.275 727 V C 0.470 176.580 176.094 0.027 0.000 1.043 727 V CA -0.245 62.043 62.300 -0.021 0.000 0.925 727 V CB 0.996 32.837 31.823 0.029 0.000 0.985 727 V HN 0.576 nan 8.190 nan 0.000 0.466 728 Y N 2.115 122.494 120.300 0.133 0.000 2.243 728 Y HA 0.031 4.579 4.550 -0.002 0.000 0.293 728 Y C 1.071 177.056 175.900 0.142 0.000 1.124 728 Y CA 0.953 59.143 58.100 0.149 0.000 1.159 728 Y CB 0.175 38.665 38.460 0.050 0.000 1.008 728 Y HN 0.885 nan 8.280 nan 0.000 0.527 729 D N -2.858 117.583 120.400 0.068 0.000 2.744 729 D HA 0.096 4.735 4.640 -0.002 0.000 0.304 729 D C 0.688 176.758 176.300 -0.383 0.000 1.179 729 D CA -0.650 53.014 54.000 -0.561 0.000 1.024 729 D CB 0.181 40.800 40.800 -0.302 0.000 1.453 729 D HN -0.029 nan 8.370 nan 0.000 0.529 730 E N -0.200 119.682 120.200 -0.530 0.000 2.049 730 E HA -0.290 4.058 4.350 -0.002 0.000 0.198 730 E C 1.892 178.520 176.600 0.046 0.000 1.007 730 E CA 1.658 58.013 56.400 -0.075 0.000 0.809 730 E CB -0.321 29.339 29.700 -0.066 0.000 0.749 730 E HN 0.502 nan 8.360 nan 0.000 0.450 731 A N 1.063 123.880 122.820 -0.004 0.000 1.940 731 A HA -0.228 4.091 4.320 -0.002 0.000 0.219 731 A C 1.834 179.466 177.584 0.081 0.000 1.176 731 A CA 2.016 54.073 52.037 0.033 0.000 0.631 731 A CB -0.601 18.403 19.000 0.006 0.000 0.814 731 A HN 0.294 nan 8.150 nan 0.000 0.446 732 D N -0.814 119.640 120.400 0.090 0.000 2.144 732 D HA -0.092 4.547 4.640 -0.002 0.000 0.199 732 D C 1.737 178.167 176.300 0.216 0.000 0.984 732 D CA 0.709 54.795 54.000 0.144 0.000 0.834 732 D CB -0.206 40.692 40.800 0.162 0.000 0.955 732 D HN 0.285 nan 8.370 nan 0.000 0.465 733 L N 1.074 122.465 121.223 0.281 0.000 2.017 733 L HA -0.125 4.214 4.340 -0.002 0.000 0.208 733 L C 2.212 179.376 176.870 0.490 0.000 1.073 733 L CA 1.586 56.670 54.840 0.407 0.000 0.745 733 L CB -0.297 42.041 42.059 0.465 0.000 0.894 733 L HN 0.007 nan 8.230 nan 0.000 0.432 734 R N -0.957 119.736 120.500 0.321 0.000 2.083 734 R HA -0.200 4.139 4.340 -0.002 0.000 0.237 734 R C 2.285 178.728 176.300 0.238 0.000 1.137 734 R CA 1.325 57.587 56.100 0.271 0.000 0.951 734 R CB -0.935 29.449 30.300 0.141 0.000 0.851 734 R HN 0.349 nan 8.270 nan 0.000 0.434 735 R N 0.720 121.331 120.500 0.185 0.000 2.133 735 R HA -0.262 4.077 4.340 -0.002 0.000 0.245 735 R C 2.176 178.558 176.300 0.136 0.000 1.137 735 R CA 2.175 58.354 56.100 0.132 0.000 0.947 735 R CB -0.535 29.840 30.300 0.124 0.000 0.865 735 R HN 0.328 nan 8.270 nan 0.000 0.437 736 Y N 0.236 120.572 120.300 0.060 0.000 2.092 736 Y HA -0.202 4.346 4.550 -0.002 0.000 0.282 736 Y C 2.040 177.894 175.900 -0.078 0.000 1.126 736 Y CA 1.880 59.953 58.100 -0.044 0.000 1.111 736 Y CB -1.011 37.372 38.460 -0.128 0.000 0.987 736 Y HN -0.000 nan 8.280 nan 0.000 0.489 737 F N 1.309 121.313 119.950 0.089 0.000 2.079 737 F HA -0.413 4.112 4.527 -0.002 0.000 0.296 737 F C 2.831 178.561 175.800 -0.118 0.000 1.084 737 F CA 2.548 60.537 58.000 -0.018 0.000 1.236 737 F CB -0.872 38.179 39.000 0.084 0.000 0.984 737 F HN 0.319 nan 8.300 nan 0.000 0.488 738 Q N 0.059 119.916 119.800 0.094 0.000 1.946 738 Q HA -0.208 4.131 4.340 -0.002 0.000 0.199 738 Q C 2.387 178.339 176.000 -0.079 0.000 0.979 738 Q CA 2.565 58.382 55.803 0.024 0.000 0.834 738 Q CB -0.551 28.212 28.738 0.042 0.000 0.899 738 Q HN 0.475 nan 8.270 nan 0.000 0.431 739 T N -0.022 114.467 114.554 -0.108 0.000 2.653 739 T HA -0.144 4.205 4.350 -0.002 0.000 0.268 739 T C 1.152 175.707 174.700 -0.242 0.000 1.035 739 T CA 1.026 63.041 62.100 -0.142 0.000 1.154 739 T CB -1.046 67.757 68.868 -0.107 0.000 0.862 739 T HN 0.553 nan 8.240 nan 0.000 0.441 750 L N 5.049 126.302 121.223 0.050 0.000 2.292 750 L HA 0.627 4.966 4.340 -0.002 0.000 0.284 750 L C -0.592 176.286 176.870 0.013 0.000 1.065 750 L CA -0.048 54.810 54.840 0.031 0.000 0.806 750 L CB 1.243 43.313 42.059 0.018 0.000 1.175 750 L HN 0.472 nan 8.230 nan 0.000 0.431 751 L N 3.542 124.773 121.223 0.014 0.000 2.341 751 L HA 0.563 4.902 4.340 -0.002 0.000 0.278 751 L C -1.065 175.796 176.870 -0.015 0.000 1.005 751 L CA -0.048 54.786 54.840 -0.010 0.000 0.818 751 L CB 1.869 43.932 42.059 0.007 0.000 1.259 751 L HN 0.519 nan 8.230 nan 0.000 0.418 752 D N -0.529 119.852 120.400 -0.032 0.000 2.753 752 D HA 0.253 4.892 4.640 -0.002 0.000 0.224 752 D C -1.279 175.023 176.300 0.003 0.000 1.213 752 D CA -0.520 53.478 54.000 -0.003 0.000 0.833 752 D CB 1.344 42.147 40.800 0.005 0.000 1.607 752 D HN 0.391 nan 8.370 nan 0.000 0.463 753 H N 1.410 120.439 119.070 -0.068 0.000 2.819 753 H HA 0.241 4.796 4.556 -0.002 0.000 0.303 753 H C -0.892 174.407 175.328 -0.049 0.000 1.058 753 H CA -0.307 55.694 56.048 -0.077 0.000 1.471 753 H CB 0.072 29.783 29.762 -0.085 0.000 1.480 753 H HN 0.229 nan 8.280 nan 0.000 0.517 754 F N 6.327 125.900 119.950 -0.628 0.000 2.506 754 F HA 0.181 4.707 4.527 -0.002 0.000 0.371 754 F C -0.681 174.717 175.800 -0.670 0.000 1.078 754 F CA -0.686 56.995 58.000 -0.532 0.000 1.195 754 F CB 0.192 38.942 39.000 -0.417 0.000 1.099 754 F HN 0.564 nan 8.300 nan 0.000 0.548 755 L N 6.493 127.046 121.223 -1.118 0.000 2.401 755 L HA 0.125 4.464 4.340 -0.002 0.000 0.283 755 L C 0.032 176.172 176.870 -1.216 0.000 1.151 755 L CA -0.436 53.812 54.840 -0.986 0.000 0.942 755 L CB -0.420 41.216 42.059 -0.705 0.000 1.283 755 L HN 0.589 nan 8.230 nan 0.000 0.442 756 D N 2.058 121.878 120.400 -0.967 0.000 2.423 756 D HA -0.057 4.582 4.640 -0.002 0.000 0.238 756 D C 0.415 176.559 176.300 -0.261 0.000 1.142 756 D CA 0.264 53.963 54.000 -0.502 0.000 0.884 756 D CB 0.638 41.384 40.800 -0.090 0.000 1.199 756 D HN 0.492 nan 8.370 nan 0.000 0.438 757 D N 0.418 120.757 120.400 -0.101 0.000 2.740 757 D HA -0.177 4.462 4.640 -0.002 0.000 0.231 757 D C -1.420 174.823 176.300 -0.096 0.000 1.194 757 D CA 1.101 55.071 54.000 -0.050 0.000 0.673 757 D CB -0.659 40.133 40.800 -0.013 0.000 0.995 757 D HN 0.470 nan 8.370 nan 0.000 0.411 758 A N -0.117 122.624 122.820 -0.131 0.000 2.380 758 A HA 0.726 5.045 4.320 -0.002 0.000 0.315 758 A C -0.315 177.224 177.584 -0.076 0.000 1.101 758 A CA -0.656 51.304 52.037 -0.129 0.000 0.771 758 A CB 1.834 20.706 19.000 -0.212 0.000 1.287 758 A HN 0.160 nan 8.150 nan 0.000 0.436 759 V N 1.991 121.865 119.914 -0.067 0.000 2.406 759 V HA 0.247 4.366 4.120 -0.002 0.000 0.272 759 V C 0.438 176.485 176.094 -0.079 0.000 1.043 759 V CA -0.230 62.034 62.300 -0.059 0.000 0.915 759 V CB 0.948 32.723 31.823 -0.080 0.000 0.988 759 V HN 0.965 nan 8.190 nan 0.000 0.466 760 E N 3.887 124.016 120.200 -0.117 0.000 2.301 760 E HA 0.604 4.953 4.350 -0.002 0.000 0.275 760 E C -1.366 174.921 176.600 -0.523 0.000 1.030 760 E CA -0.397 55.843 56.400 -0.267 0.000 0.852 760 E CB 1.693 31.265 29.700 -0.213 0.000 1.060 760 E HN 0.485 nan 8.360 nan 0.000 0.401 761 V N 3.607 123.307 119.914 -0.356 0.000 2.876 761 V HA 0.323 4.442 4.120 -0.002 0.000 0.312 761 V C -0.807 175.259 176.094 -0.047 0.000 1.085 761 V CA -0.928 61.256 62.300 -0.192 0.000 0.945 761 V CB 2.223 34.099 31.823 0.089 0.000 1.017 761 V HN 0.733 nan 8.190 nan 0.000 0.428 762 D N 1.839 122.294 120.400 0.092 0.000 2.505 762 D HA 0.599 5.238 4.640 -0.002 0.000 0.249 762 D C -1.254 175.138 176.300 0.153 0.000 1.082 762 D CA -0.076 54.017 54.000 0.155 0.000 0.839 762 D CB 2.598 43.541 40.800 0.237 0.000 1.317 762 D HN 0.275 nan 8.370 nan 0.000 0.497 763 V N 3.129 123.112 119.914 0.115 0.000 2.444 763 V HA 0.263 4.382 4.120 -0.002 0.000 0.294 763 V C -0.328 175.808 176.094 0.070 0.000 1.022 763 V CA -0.873 61.502 62.300 0.125 0.000 0.850 763 V CB 2.124 34.068 31.823 0.202 0.000 0.992 763 V HN 0.388 nan 8.190 nan 0.000 0.426 764 D N 3.626 124.067 120.400 0.068 0.000 2.193 764 D HA 0.803 5.441 4.640 -0.002 0.000 0.244 764 D C -0.080 176.241 176.300 0.034 0.000 1.064 764 D CA 0.137 54.163 54.000 0.042 0.000 0.845 764 D CB 2.404 43.227 40.800 0.038 0.000 1.148 764 D HN 0.780 nan 8.370 nan 0.000 0.464 765 A N 2.066 124.899 122.820 0.021 0.000 2.593 765 A HA 0.774 5.093 4.320 -0.002 0.000 0.290 765 A C -1.186 176.406 177.584 0.014 0.000 1.126 765 A CA -0.662 51.383 52.037 0.013 0.000 0.695 765 A CB 1.248 20.246 19.000 -0.003 0.000 1.290 765 A HN 0.494 nan 8.150 nan 0.000 0.414 766 I N 0.051 120.627 120.570 0.011 0.000 2.509 766 I HA 0.538 4.707 4.170 -0.002 0.000 0.293 766 I C -0.727 175.392 176.117 0.004 0.000 1.020 766 I CA -0.560 60.755 61.300 0.026 0.000 1.088 766 I CB 1.825 39.854 38.000 0.048 0.000 1.267 766 I HN 0.632 nan 8.210 nan 0.000 0.430 767 C N 5.133 124.443 119.300 0.017 0.000 2.482 767 C HA 0.474 4.933 4.460 -0.002 0.000 0.317 767 C C 0.313 175.358 174.990 0.091 0.000 1.197 767 C CA -0.423 58.605 59.018 0.016 0.000 1.432 767 C CB 0.961 28.660 27.740 -0.068 0.000 2.062 767 C HN 0.953 nan 8.230 nan 0.000 0.471 768 D N 1.841 122.326 120.400 0.141 0.000 2.433 768 D HA 0.288 4.927 4.640 -0.002 0.000 0.211 768 D C 1.366 177.760 176.300 0.157 0.000 1.114 768 D CA 0.756 54.833 54.000 0.128 0.000 0.837 768 D CB 0.170 41.029 40.800 0.098 0.000 0.984 768 D HN 1.368 nan 8.370 nan 0.000 0.505 769 G N 0.159 109.122 108.800 0.273 0.000 2.234 769 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.235 769 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.235 769 G C 1.079 176.049 174.900 0.116 0.000 0.997 769 G CA 0.278 45.521 45.100 0.237 0.000 0.623 769 G HN 0.292 nan 8.290 nan 0.000 0.514 770 E N -0.386 119.915 120.200 0.168 0.000 2.206 770 E HA 0.320 4.669 4.350 -0.002 0.000 0.195 770 E C 1.533 178.268 176.600 0.225 0.000 0.935 770 E CA 1.435 57.886 56.400 0.084 0.000 0.875 770 E CB 0.196 29.935 29.700 0.066 0.000 0.841 770 E HN 0.835 nan 8.360 nan 0.000 0.477 771 M N -1.957 117.854 119.600 0.353 0.000 2.813 771 M HA 0.521 5.000 4.480 -0.002 0.000 0.270 771 M C -1.238 175.192 176.300 0.216 0.000 1.267 771 M CA -0.949 54.576 55.300 0.375 0.000 0.822 771 M CB 2.444 35.153 32.600 0.182 0.000 1.671 771 M HN -0.353 nan 8.290 nan 0.000 0.468 772 V N 1.945 121.898 119.914 0.065 0.000 2.487 772 V HA 0.602 4.721 4.120 -0.002 0.000 0.298 772 V C -1.318 174.766 176.094 -0.016 0.000 1.028 772 V CA -0.643 61.609 62.300 -0.081 0.000 0.860 772 V CB 1.755 33.417 31.823 -0.268 0.000 0.991 772 V HN 0.726 nan 8.190 nan 0.000 0.427 773 L N 6.373 127.592 121.223 -0.008 0.000 2.287 773 L HA 0.602 4.941 4.340 -0.002 0.000 0.287 773 L C -0.481 176.390 176.870 0.002 0.000 1.022 773 L CA -0.050 54.794 54.840 0.007 0.000 0.814 773 L CB 1.122 43.192 42.059 0.019 0.000 1.217 773 L HN 0.420 nan 8.230 nan 0.000 0.420 774 I N 5.762 126.335 120.570 0.004 0.000 2.379 774 I HA 0.207 4.376 4.170 -0.002 0.000 0.290 774 I C 1.451 177.577 176.117 0.014 0.000 1.063 774 I CA 0.218 61.525 61.300 0.012 0.000 1.351 774 I CB 0.442 38.450 38.000 0.013 0.000 1.410 774 I HN 0.840 nan 8.210 nan 0.000 0.505 775 G N 5.411 114.224 108.800 0.021 0.000 2.394 775 G HA2 0.218 4.177 3.960 -0.002 0.000 0.214 775 G HA3 0.218 4.177 3.960 -0.002 0.000 0.214 775 G C 0.645 175.560 174.900 0.024 0.000 1.176 775 G CA 0.716 45.829 45.100 0.021 0.000 0.786 775 G HN 0.803 nan 8.290 nan 0.000 0.533 776 G N -1.127 107.700 108.800 0.046 0.000 2.596 776 G HA2 0.454 4.412 3.960 -0.002 0.000 0.296 776 G HA3 0.454 4.412 3.960 -0.002 0.000 0.296 776 G C -1.610 173.348 174.900 0.096 0.000 1.513 776 G CA -0.840 44.298 45.100 0.064 0.000 0.851 776 G HN 0.158 nan 8.290 nan 0.000 0.548 777 I N 1.592 122.223 120.570 0.102 0.000 2.355 777 I HA 0.428 4.596 4.170 -0.002 0.000 0.288 777 I C -0.195 176.019 176.117 0.161 0.000 0.999 777 I CA -0.463 60.909 61.300 0.119 0.000 1.163 777 I CB 1.768 39.817 38.000 0.081 0.000 1.316 777 I HN 0.243 nan 8.210 nan 0.000 0.454 778 M N 6.047 125.763 119.600 0.193 0.000 2.243 778 M HA 0.333 4.811 4.480 -0.002 0.000 0.324 778 M C -0.407 176.038 176.300 0.242 0.000 1.031 778 M CA -0.413 55.038 55.300 0.251 0.000 0.949 778 M CB 2.134 34.904 32.600 0.282 0.000 1.615 778 M HN 0.431 nan 8.290 nan 0.000 0.430 779 E N 3.487 123.848 120.200 0.267 0.000 2.146 779 E HA 0.258 4.606 4.350 -0.002 0.000 0.282 779 E C -1.071 175.759 176.600 0.383 0.000 0.989 779 E CA -0.462 56.078 56.400 0.233 0.000 0.799 779 E CB 0.787 30.603 29.700 0.192 0.000 1.088 779 E HN 0.671 nan 8.360 nan 0.000 0.397 780 H N 3.425 122.598 119.070 0.171 0.000 2.615 780 H HA 0.070 4.625 4.556 -0.002 0.000 0.363 780 H C 0.705 176.174 175.328 0.234 0.000 1.148 780 H CA -0.966 55.184 56.048 0.169 0.000 1.401 780 H CB 1.188 31.019 29.762 0.114 0.000 1.461 780 H HN 0.547 nan 8.280 nan 0.000 0.588 781 I N 1.092 121.885 120.570 0.371 0.000 2.141 781 I HA -0.138 4.031 4.170 -0.002 0.000 0.236 781 I C 0.651 176.932 176.117 0.273 0.000 1.071 781 I CA 1.085 62.583 61.300 0.330 0.000 1.345 781 I CB -0.254 37.909 38.000 0.271 0.000 1.066 781 I HN 0.620 nan 8.210 nan 0.000 0.406 782 E N 2.085 122.431 120.200 0.243 0.000 2.413 782 E HA 0.038 4.386 4.350 -0.002 0.000 0.263 782 E C 0.243 176.972 176.600 0.214 0.000 1.015 782 E CA -0.200 56.325 56.400 0.208 0.000 0.916 782 E CB 0.132 29.942 29.700 0.183 0.000 0.947 782 E HN 0.182 nan 8.360 nan 0.000 0.440 783 Q N 1.425 121.327 119.800 0.171 0.000 2.407 783 Q HA 0.335 4.674 4.340 -0.002 0.000 0.214 783 Q C -0.299 175.789 176.000 0.147 0.000 1.043 783 Q CA -0.622 55.260 55.803 0.131 0.000 0.983 783 Q CB 0.357 29.157 28.738 0.103 0.000 1.211 783 Q HN 0.479 nan 8.270 nan 0.000 0.564 784 A N -0.572 122.294 122.820 0.076 0.000 2.540 784 A HA 0.436 4.755 4.320 -0.002 0.000 0.239 784 A C 1.110 178.829 177.584 0.225 0.000 1.061 784 A CA 0.826 52.908 52.037 0.074 0.000 0.758 784 A CB -0.856 18.100 19.000 -0.074 0.000 0.991 784 A HN 1.405 nan 8.150 nan 0.000 0.502 785 G N 0.678 109.650 108.800 0.287 0.000 2.284 785 G HA2 -0.105 3.854 3.960 -0.002 0.000 0.201 785 G HA3 -0.105 3.854 3.960 -0.002 0.000 0.201 785 G C 0.048 175.061 174.900 0.188 0.000 0.998 785 G CA 0.022 45.344 45.100 0.370 0.000 0.651 785 G HN 1.417 nan 8.290 nan 0.000 0.489 786 V N 3.134 123.159 119.914 0.186 0.000 2.370 786 V HA 0.444 4.563 4.120 -0.002 0.000 0.283 786 V C 0.724 176.917 176.094 0.166 0.000 1.023 786 V CA -1.086 61.316 62.300 0.170 0.000 0.857 786 V CB 1.365 33.289 31.823 0.169 0.000 0.985 786 V HN 0.413 nan 8.190 nan 0.000 0.443 787 H N 3.607 122.729 119.070 0.087 0.000 3.115 787 H HA -0.064 4.491 4.556 -0.002 0.000 0.324 787 H C 1.557 176.907 175.328 0.037 0.000 1.007 787 H CA 0.991 57.078 56.048 0.064 0.000 1.385 787 H CB 1.174 30.957 29.762 0.035 0.000 1.351 787 H HN 0.879 nan 8.280 nan 0.000 0.592 788 S N 2.811 118.412 115.700 -0.165 0.000 2.387 788 S HA -0.175 4.294 4.470 -0.002 0.000 0.230 788 S C 2.282 176.862 174.600 -0.034 0.000 1.035 788 S CA 0.917 59.049 58.200 -0.114 0.000 1.014 788 S CB -0.545 62.639 63.200 -0.027 0.000 0.836 788 S HN 0.740 nan 8.310 nan 0.000 0.466 789 G N 1.157 110.166 108.800 0.348 0.000 2.471 789 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.219 789 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.219 789 G C 0.798 175.726 174.900 0.046 0.000 1.125 789 G CA 0.849 46.047 45.100 0.163 0.000 0.775 789 G HN 0.504 nan 8.290 nan 0.000 0.548 790 D N -0.368 120.086 120.400 0.089 0.000 2.398 790 D HA 0.194 4.833 4.640 -0.002 0.000 0.210 790 D C 0.555 176.868 176.300 0.022 0.000 1.094 790 D CA 0.033 54.061 54.000 0.047 0.000 0.839 790 D CB 0.701 41.560 40.800 0.097 0.000 0.963 790 D HN 0.068 nan 8.370 nan 0.000 0.506 791 S N 0.481 116.154 115.700 -0.045 0.000 2.554 791 S HA 0.666 5.134 4.470 -0.002 0.000 0.278 791 S C 0.246 174.785 174.600 -0.101 0.000 1.242 791 S CA -0.771 57.389 58.200 -0.065 0.000 1.051 791 S CB 1.905 64.981 63.200 -0.207 0.000 0.986 791 S HN 0.216 nan 8.310 nan 0.000 0.502 792 A N 1.168 123.995 122.820 0.011 0.000 2.351 792 A HA 0.609 4.928 4.320 -0.002 0.000 0.257 792 A C 0.361 177.965 177.584 0.033 0.000 1.087 792 A CA -0.544 51.502 52.037 0.014 0.000 0.798 792 A CB -0.404 18.706 19.000 0.183 0.000 1.033 792 A HN 1.226 nan 8.150 nan 0.000 0.488 793 C N -0.099 119.190 119.300 -0.018 0.000 3.173 793 C HA 0.873 5.332 4.460 -0.002 0.000 0.310 793 C C -0.281 174.791 174.990 0.136 0.000 1.306 793 C CA -0.416 58.648 59.018 0.078 0.000 1.426 793 C CB 0.963 28.730 27.740 0.046 0.000 1.800 793 C HN 1.108 nan 8.230 nan 0.000 0.470 794 S N 1.082 116.960 115.700 0.295 0.000 2.513 794 S HA 0.837 5.306 4.470 -0.002 0.000 0.299 794 S C -1.339 173.525 174.600 0.439 0.000 1.087 794 S CA -0.554 57.894 58.200 0.415 0.000 1.012 794 S CB 1.191 64.651 63.200 0.434 0.000 1.044 794 S HN 1.051 nan 8.310 nan 0.000 0.485 795 L N 5.944 127.463 121.223 0.493 0.000 2.504 795 L HA 0.530 4.869 4.340 -0.002 0.000 0.265 795 L C -2.567 174.445 176.870 0.238 0.000 0.975 795 L CA -1.935 53.120 54.840 0.357 0.000 0.864 795 L CB 2.338 44.614 42.059 0.363 0.000 1.212 795 L HN 0.513 nan 8.230 nan 0.000 0.416 796 P HA 0.172 nan 4.420 nan 0.000 0.277 796 P C -0.701 176.782 177.300 0.305 0.000 1.276 796 P CA -0.395 62.770 63.100 0.110 0.000 0.788 796 P CB 0.566 32.228 31.700 -0.063 0.000 1.114 797 A N 0.473 123.429 122.820 0.227 0.000 2.511 797 A HA 0.090 4.409 4.320 -0.002 0.000 0.242 797 A C 0.561 178.319 177.584 0.289 0.000 1.069 797 A CA 0.072 52.252 52.037 0.239 0.000 0.763 797 A CB -0.895 18.160 19.000 0.090 0.000 1.001 797 A HN 0.691 nan 8.150 nan 0.000 0.498 798 Y N 0.992 121.303 120.300 0.018 0.000 2.497 798 Y HA 0.199 4.748 4.550 -0.001 0.000 0.265 798 Y C 1.595 177.397 175.900 -0.163 0.000 1.111 798 Y CA 0.984 59.015 58.100 -0.115 0.000 1.288 798 Y CB -0.447 37.612 38.460 -0.667 0.000 1.082 798 Y HN 0.598 nan 8.280 nan 0.000 0.536 799 T N -2.245 111.922 114.554 -0.646 0.000 2.980 799 T HA 0.300 4.649 4.350 -0.002 0.000 0.252 799 T C 0.372 174.893 174.700 -0.298 0.000 0.962 799 T CA -0.230 61.551 62.100 -0.531 0.000 0.932 799 T CB -0.662 67.771 68.868 -0.724 0.000 1.188 799 T HN 0.129 nan 8.240 nan 0.000 0.500 800 L N 4.132 125.211 121.223 -0.241 0.000 2.490 800 L HA 0.338 4.677 4.340 -0.002 0.000 0.274 800 L C 0.834 177.641 176.870 -0.104 0.000 1.201 800 L CA -0.504 54.246 54.840 -0.150 0.000 0.869 800 L CB 0.675 42.667 42.059 -0.112 0.000 1.123 800 L HN 0.473 nan 8.230 nan 0.000 0.484 801 S N 1.708 117.349 115.700 -0.098 0.000 2.564 801 S HA 0.028 4.497 4.470 -0.002 0.000 0.278 801 S C 0.668 175.227 174.600 -0.068 0.000 1.333 801 S CA -0.675 57.479 58.200 -0.077 0.000 1.048 801 S CB 1.656 64.810 63.200 -0.077 0.000 0.900 801 S HN 0.659 nan 8.310 nan 0.000 0.505 802 Q N 1.567 121.335 119.800 -0.053 0.000 2.133 802 Q HA -0.247 4.092 4.340 -0.002 0.000 0.208 802 Q C 2.038 178.004 176.000 -0.057 0.000 0.991 802 Q CA 2.526 58.301 55.803 -0.048 0.000 0.867 802 Q CB -0.412 28.303 28.738 -0.038 0.000 0.911 802 Q HN 1.003 nan 8.270 nan 0.000 0.417 803 E N -0.834 119.331 120.200 -0.059 0.000 2.017 803 E HA -0.211 4.138 4.350 -0.002 0.000 0.193 803 E C 1.811 178.360 176.600 -0.084 0.000 0.997 803 E CA 1.363 57.724 56.400 -0.064 0.000 0.804 803 E CB -0.354 29.310 29.700 -0.059 0.000 0.757 803 E HN 0.388 nan 8.360 nan 0.000 0.448 804 I N 1.472 121.986 120.570 -0.093 0.000 2.208 804 I HA -0.261 3.908 4.170 -0.002 0.000 0.245 804 I C 2.377 178.408 176.117 -0.144 0.000 1.097 804 I CA 1.603 62.831 61.300 -0.120 0.000 1.363 804 I CB -0.984 36.946 38.000 -0.117 0.000 1.051 804 I HN 0.342 nan 8.210 nan 0.000 0.413 805 Q N -0.290 119.441 119.800 -0.114 0.000 2.167 805 Q HA -0.206 4.133 4.340 -0.002 0.000 0.202 805 Q C 1.708 177.646 176.000 -0.105 0.000 0.970 805 Q CA 1.391 57.128 55.803 -0.109 0.000 0.855 805 Q CB -0.058 28.641 28.738 -0.064 0.000 0.911 805 Q HN 0.466 nan 8.270 nan 0.000 0.438 806 D N -0.027 120.321 120.400 -0.086 0.000 2.178 806 D HA -0.110 4.529 4.640 -0.002 0.000 0.201 806 D C 1.919 178.165 176.300 -0.091 0.000 0.980 806 D CA 0.762 54.719 54.000 -0.071 0.000 0.842 806 D CB 0.057 40.825 40.800 -0.054 0.000 0.948 806 D HN 0.054 nan 8.370 nan 0.000 0.472 807 V N 0.830 120.669 119.914 -0.124 0.000 2.295 807 V HA -0.253 3.866 4.120 -0.002 0.000 0.246 807 V C 2.556 178.526 176.094 -0.206 0.000 1.049 807 V CA 1.342 63.553 62.300 -0.149 0.000 1.024 807 V CB -0.393 31.327 31.823 -0.173 0.000 0.648 807 V HN 0.176 nan 8.190 nan 0.000 0.447 808 M N -0.859 118.554 119.600 -0.311 0.000 2.080 808 M HA -0.221 4.258 4.480 -0.002 0.000 0.260 808 M C 2.474 178.688 176.300 -0.145 0.000 1.068 808 M CA 1.966 56.976 55.300 -0.483 0.000 1.109 808 M CB -0.451 31.771 32.600 -0.630 0.000 1.342 808 M HN 0.154 nan 8.290 nan 0.000 0.405 809 R N -0.371 120.084 120.500 -0.076 0.000 2.113 809 R HA -0.226 4.112 4.340 -0.002 0.000 0.244 809 R C 2.229 178.529 176.300 -0.001 0.000 1.142 809 R CA 1.868 57.961 56.100 -0.011 0.000 0.953 809 R CB -0.370 29.918 30.300 -0.020 0.000 0.860 809 R HN 0.535 nan 8.270 nan 0.000 0.438 810 Q N -0.126 119.661 119.800 -0.022 0.000 2.123 810 Q HA -0.172 4.167 4.340 -0.002 0.000 0.199 810 Q C 2.111 178.123 176.000 0.019 0.000 0.966 810 Q CA 1.181 56.982 55.803 -0.003 0.000 0.845 810 Q CB 0.124 28.853 28.738 -0.015 0.000 0.907 810 Q HN 0.409 nan 8.270 nan 0.000 0.439 811 Q N -0.479 119.333 119.800 0.021 0.000 2.170 811 Q HA -0.135 4.204 4.340 -0.002 0.000 0.203 811 Q C 1.995 178.095 176.000 0.166 0.000 0.976 811 Q CA 1.072 56.930 55.803 0.092 0.000 0.858 811 Q CB 0.286 29.083 28.738 0.098 0.000 0.907 811 Q HN 0.214 nan 8.270 nan 0.000 0.433 812 V N 0.324 120.344 119.914 0.176 0.000 2.379 812 V HA -0.266 3.853 4.120 -0.002 0.000 0.245 812 V C 2.227 178.320 176.094 -0.003 0.000 1.044 812 V CA 1.952 64.332 62.300 0.133 0.000 1.036 812 V CB -0.552 31.357 31.823 0.143 0.000 0.664 812 V HN 0.421 nan 8.190 nan 0.000 0.453 813 Q N 0.295 120.071 119.800 -0.039 0.000 2.061 813 Q HA -0.265 4.074 4.340 -0.002 0.000 0.204 813 Q C 2.308 178.231 176.000 -0.128 0.000 0.984 813 Q CA 1.981 57.690 55.803 -0.158 0.000 0.846 813 Q CB -0.111 28.585 28.738 -0.070 0.000 0.902 813 Q HN 0.567 nan 8.270 nan 0.000 0.421 814 K N 0.005 120.411 120.400 0.011 0.000 2.032 814 K HA -0.161 4.158 4.320 -0.002 0.000 0.209 814 K C 2.144 178.782 176.600 0.064 0.000 1.048 814 K CA 1.537 57.867 56.287 0.071 0.000 0.927 814 K CB -0.175 32.368 32.500 0.072 0.000 0.712 814 K HN 0.291 nan 8.250 nan 0.000 0.441 815 L N 0.284 121.537 121.223 0.049 0.000 2.156 815 L HA -0.120 4.218 4.340 -0.002 0.000 0.208 815 L C 2.537 179.418 176.870 0.018 0.000 1.095 815 L CA 0.725 55.605 54.840 0.067 0.000 0.770 815 L CB -0.501 41.615 42.059 0.095 0.000 0.914 815 L HN 0.185 nan 8.230 nan 0.000 0.439 816 A N 0.401 123.159 122.820 -0.103 0.000 1.865 816 A HA -0.225 4.093 4.320 -0.002 0.000 0.217 816 A C 2.018 179.554 177.584 -0.080 0.000 1.191 816 A CA 1.702 53.629 52.037 -0.182 0.000 0.623 816 A CB -0.799 17.967 19.000 -0.390 0.000 0.826 816 A HN 0.270 nan 8.150 nan 0.000 0.444 817 F N -0.030 119.950 119.950 0.050 0.000 2.102 817 F HA -0.110 4.415 4.527 -0.002 0.000 0.298 817 F C 2.358 178.184 175.800 0.042 0.000 1.105 817 F CA 1.523 59.548 58.000 0.041 0.000 1.239 817 F CB -1.143 37.878 39.000 0.034 0.000 0.991 817 F HN 0.327 nan 8.300 nan 0.000 0.474 818 E N 0.795 121.125 120.200 0.217 0.000 2.070 818 E HA -0.199 4.149 4.350 -0.002 0.000 0.197 818 E C 1.985 178.659 176.600 0.124 0.000 1.004 818 E CA 1.527 58.015 56.400 0.146 0.000 0.805 818 E CB -0.580 29.191 29.700 0.118 0.000 0.744 818 E HN 0.439 nan 8.360 nan 0.000 0.451 819 L N 0.027 121.320 121.223 0.117 0.000 2.492 819 L HA 0.065 4.404 4.340 -0.002 0.000 0.223 819 L C 0.239 177.163 176.870 0.090 0.000 1.132 819 L CA 0.401 55.301 54.840 0.099 0.000 0.850 819 L CB -0.191 41.921 42.059 0.088 0.000 0.966 819 L HN 0.175 nan 8.230 nan 0.000 0.454 820 Q N -0.502 119.367 119.800 0.115 0.000 2.461 820 Q HA -0.137 4.201 4.340 -0.002 0.000 0.298 820 Q C -0.362 175.696 176.000 0.096 0.000 1.399 820 Q CA 0.002 55.878 55.803 0.121 0.000 0.778 820 Q CB -2.262 26.529 28.738 0.089 0.000 1.130 820 Q HN 0.221 nan 8.270 nan 0.000 0.407 821 V N 1.325 121.291 119.914 0.087 0.000 2.740 821 V HA 0.201 4.319 4.120 -0.002 0.000 0.303 821 V C 0.835 176.975 176.094 0.077 0.000 1.054 821 V CA 0.353 62.689 62.300 0.061 0.000 1.106 821 V CB 1.079 32.919 31.823 0.027 0.000 0.957 821 V HN 0.242 nan 8.190 nan 0.000 0.486 822 R N 3.369 123.909 120.500 0.065 0.000 2.625 822 R HA 0.611 4.950 4.340 -0.002 0.000 0.286 822 R C 0.273 176.610 176.300 0.063 0.000 1.406 822 R CA 0.307 56.446 56.100 0.065 0.000 1.052 822 R CB 0.942 31.274 30.300 0.053 0.000 1.203 822 R HN 1.111 nan 8.270 nan 0.000 0.502 823 G N 1.494 110.340 108.800 0.076 0.000 2.395 823 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.201 823 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.201 823 G C -1.057 173.910 174.900 0.112 0.000 1.206 823 G CA -0.902 44.263 45.100 0.108 0.000 1.210 823 G HN 0.304 nan 8.290 nan 0.000 0.557 824 L N 1.618 122.935 121.223 0.157 0.000 2.418 824 L HA 0.803 5.142 4.340 -0.002 0.000 0.265 824 L C 0.873 177.786 176.870 0.072 0.000 1.143 824 L CA -0.088 54.818 54.840 0.109 0.000 0.809 824 L CB 1.263 43.383 42.059 0.102 0.000 1.124 824 L HN 0.953 nan 8.230 nan 0.000 0.456 825 M N 1.619 121.243 119.600 0.039 0.000 2.534 825 M HA 0.459 4.938 4.480 -0.002 0.000 0.280 825 M C -1.951 174.352 176.300 0.005 0.000 1.217 825 M CA -0.748 54.562 55.300 0.017 0.000 0.893 825 M CB 2.348 34.948 32.600 0.001 0.000 1.730 825 M HN 0.523 nan 8.290 nan 0.000 0.483 826 N N 1.718 120.411 118.700 -0.013 0.000 2.260 826 N HA 0.703 5.442 4.740 -0.002 0.000 0.293 826 N C -2.418 173.046 175.510 -0.077 0.000 1.058 826 N CA -0.292 52.744 53.050 -0.023 0.000 0.824 826 N CB 2.987 41.473 38.487 -0.003 0.000 1.551 826 N HN 0.677 nan 8.380 nan 0.000 0.475 827 V N 2.462 122.306 119.914 -0.117 0.000 2.638 827 V HA 0.416 4.535 4.120 -0.002 0.000 0.306 827 V C -0.591 175.267 176.094 -0.393 0.000 1.052 827 V CA -0.699 61.430 62.300 -0.286 0.000 0.885 827 V CB 1.854 33.471 31.823 -0.344 0.000 0.999 827 V HN 0.625 nan 8.190 nan 0.000 0.424 828 Q N 3.398 122.933 119.800 -0.443 0.000 2.333 828 Q HA 0.662 5.001 4.340 -0.002 0.000 0.268 828 Q C -1.629 174.125 176.000 -0.411 0.000 1.007 828 Q CA -0.287 55.321 55.803 -0.324 0.000 0.810 828 Q CB 2.280 30.932 28.738 -0.145 0.000 1.264 828 Q HN 0.630 nan 8.270 nan 0.000 0.452 829 F N 0.598 120.540 119.950 -0.014 0.000 2.575 829 F HA 0.797 5.323 4.527 -0.002 0.000 0.330 829 F C -0.060 175.712 175.800 -0.047 0.000 1.056 829 F CA -1.081 56.915 58.000 -0.005 0.000 0.964 829 F CB 1.662 40.657 39.000 -0.008 0.000 1.258 829 F HN 0.472 nan 8.300 nan 0.000 0.484 830 A N 0.935 123.904 122.820 0.249 0.000 2.359 830 A HA 0.745 5.064 4.320 -0.002 0.000 0.303 830 A C -1.785 175.879 177.584 0.134 0.000 1.066 830 A CA -0.641 51.449 52.037 0.089 0.000 0.730 830 A CB 1.181 20.161 19.000 -0.033 0.000 1.211 830 A HN 0.489 nan 8.150 nan 0.000 0.439 831 V N 3.147 123.088 119.914 0.046 0.000 2.334 831 V HA 0.440 4.559 4.120 -0.002 0.000 0.281 831 V C 0.090 176.200 176.094 0.026 0.000 1.016 831 V CA -0.383 61.946 62.300 0.049 0.000 0.832 831 V CB 1.187 32.992 31.823 -0.029 0.000 0.999 831 V HN 0.831 nan 8.190 nan 0.000 0.439 832 K N 3.802 124.267 120.400 0.109 0.000 2.376 832 K HA 0.431 4.750 4.320 -0.002 0.000 0.257 832 K C 0.056 176.710 176.600 0.090 0.000 0.939 832 K CA -0.646 55.672 56.287 0.052 0.000 0.809 832 K CB 0.895 33.391 32.500 -0.006 0.000 1.121 832 K HN 0.795 nan 8.250 nan 0.000 0.425 833 N N 3.556 122.270 118.700 0.023 0.000 2.688 833 N HA -0.289 4.450 4.740 -0.002 0.000 0.258 833 N C -0.541 174.970 175.510 0.002 0.000 1.016 833 N CA 0.863 53.921 53.050 0.013 0.000 0.747 833 N CB -1.143 37.361 38.487 0.028 0.000 0.895 833 N HN 0.970 nan 8.380 nan 0.000 0.543 834 N N -0.669 118.018 118.700 -0.021 0.000 2.696 834 N HA -0.257 4.482 4.740 -0.002 0.000 0.249 834 N C -1.389 174.090 175.510 -0.053 0.000 1.090 834 N CA 1.071 54.095 53.050 -0.044 0.000 0.716 834 N CB -0.185 38.273 38.487 -0.049 0.000 1.020 834 N HN 0.573 nan 8.380 nan 0.000 0.548 835 E N 0.226 120.409 120.200 -0.027 0.000 2.256 835 E HA 0.262 4.610 4.350 -0.002 0.000 0.268 835 E C -0.641 175.906 176.600 -0.088 0.000 0.877 835 E CA -0.751 55.588 56.400 -0.101 0.000 0.757 835 E CB 2.424 32.044 29.700 -0.133 0.000 1.183 835 E HN -0.021 nan 8.360 nan 0.000 0.418 836 V N 4.353 124.150 119.914 -0.195 0.000 2.389 836 V HA 0.161 4.280 4.120 -0.002 0.000 0.264 836 V C -0.889 175.151 176.094 -0.089 0.000 1.049 836 V CA -0.082 62.133 62.300 -0.142 0.000 0.932 836 V CB -0.674 30.986 31.823 -0.272 0.000 1.011 836 V HN 0.478 nan 8.190 nan 0.000 0.475 837 Y N 4.006 124.341 120.300 0.058 0.000 2.468 837 Y HA 0.585 5.133 4.550 -0.002 0.000 0.342 837 Y C -0.137 175.913 175.900 0.250 0.000 1.021 837 Y CA -1.700 56.467 58.100 0.112 0.000 1.079 837 Y CB 1.444 39.933 38.460 0.048 0.000 1.226 837 Y HN 0.394 nan 8.280 nan 0.000 0.460 838 L N 3.439 124.885 121.223 0.371 0.000 2.315 838 L HA 0.318 4.657 4.340 -0.002 0.000 0.283 838 L C 0.356 177.333 176.870 0.178 0.000 1.089 838 L CA 0.619 55.613 54.840 0.258 0.000 0.833 838 L CB -0.127 42.055 42.059 0.204 0.000 1.170 838 L HN 0.799 nan 8.230 nan 0.000 0.442 839 I N 2.888 123.503 120.570 0.075 0.000 2.429 839 I HA 0.053 4.222 4.170 -0.002 0.000 0.247 839 I C 0.309 176.444 176.117 0.031 0.000 1.099 839 I CA 0.439 61.761 61.300 0.037 0.000 1.422 839 I CB 0.349 38.337 38.000 -0.019 0.000 1.112 839 I HN 0.767 nan 8.210 nan 0.000 0.430 840 E N -0.985 119.185 120.200 -0.050 0.000 2.389 840 E HA 0.352 4.701 4.350 -0.002 0.000 0.281 840 E C -1.657 174.805 176.600 -0.231 0.000 1.111 840 E CA -0.764 55.549 56.400 -0.145 0.000 0.869 840 E CB 1.716 31.321 29.700 -0.158 0.000 1.259 840 E HN -0.228 nan 8.360 nan 0.000 0.434 841 V N 2.175 121.853 119.914 -0.394 0.000 2.487 841 V HA 0.462 4.581 4.120 -0.002 0.000 0.298 841 V C -0.957 174.986 176.094 -0.250 0.000 1.028 841 V CA -0.905 61.224 62.300 -0.285 0.000 0.860 841 V CB 1.696 33.390 31.823 -0.215 0.000 0.991 841 V HN 0.649 nan 8.190 nan 0.000 0.427 842 N N 6.258 124.875 118.700 -0.139 0.000 2.626 842 N HA 0.308 5.047 4.740 -0.002 0.000 0.242 842 N C -2.699 172.788 175.510 -0.038 0.000 1.005 842 N CA -1.330 51.672 53.050 -0.081 0.000 0.905 842 N CB 2.062 40.528 38.487 -0.034 0.000 1.128 842 N HN 0.364 nan 8.380 nan 0.000 0.512 843 P HA 0.058 nan 4.420 nan 0.000 0.238 843 P C -0.369 176.951 177.300 0.034 0.000 1.714 843 P CA 0.273 63.372 63.100 -0.001 0.000 0.908 843 P CB -0.188 31.508 31.700 -0.007 0.000 1.893 844 R N -1.593 118.939 120.500 0.054 0.000 2.826 844 R HA 0.759 5.098 4.340 -0.002 0.000 0.269 844 R C -1.162 175.208 176.300 0.116 0.000 1.031 844 R CA -1.242 54.921 56.100 0.106 0.000 0.900 844 R CB 0.077 30.433 30.300 0.094 0.000 1.318 844 R HN -0.137 nan 8.270 nan 0.000 0.447 845 A N 0.547 123.458 122.820 0.152 0.000 2.488 845 A HA 0.609 4.928 4.320 -0.002 0.000 0.249 845 A C 0.048 177.721 177.584 0.148 0.000 1.083 845 A CA 0.240 52.308 52.037 0.051 0.000 0.768 845 A CB 0.006 18.941 19.000 -0.107 0.000 1.017 845 A HN 0.795 nan 8.150 nan 0.000 0.496 846 A N 1.979 124.823 122.820 0.039 0.000 2.299 846 A HA 0.607 4.926 4.320 -0.002 0.000 0.332 846 A C 1.227 178.702 177.584 -0.182 0.000 1.131 846 A CA -0.326 51.733 52.037 0.037 0.000 0.844 846 A CB 0.506 19.520 19.000 0.023 0.000 1.251 846 A HN 1.056 nan 8.150 nan 0.000 0.486 847 R N -0.488 119.860 120.500 -0.253 0.000 2.293 847 R HA -0.097 4.242 4.340 -0.002 0.000 0.219 847 R C 0.869 177.012 176.300 -0.262 0.000 1.091 847 R CA 1.964 57.799 56.100 -0.441 0.000 1.004 847 R CB -0.919 29.152 30.300 -0.381 0.000 0.865 847 R HN 0.649 nan 8.270 nan 0.000 0.469 848 T N -1.965 112.509 114.554 -0.133 0.000 3.067 848 T HA 0.108 4.457 4.350 -0.002 0.000 0.261 848 T C 1.896 176.588 174.700 -0.013 0.000 1.110 848 T CA 0.391 62.468 62.100 -0.039 0.000 1.113 848 T CB -0.042 68.842 68.868 0.027 0.000 0.917 848 T HN 0.024 nan 8.240 nan 0.000 0.499 849 V N 3.075 122.930 119.914 -0.098 0.000 2.250 849 V HA -0.167 3.952 4.120 -0.002 0.000 0.250 849 V C -0.127 175.879 176.094 -0.146 0.000 1.060 849 V CA 2.225 64.464 62.300 -0.102 0.000 1.030 849 V CB -1.600 30.144 31.823 -0.131 0.000 0.643 849 V HN 0.415 nan 8.190 nan 0.000 0.445 850 P HA -0.163 nan 4.420 nan 0.000 0.217 850 P C 1.673 178.796 177.300 -0.296 0.000 1.150 850 P CA 1.382 64.117 63.100 -0.607 0.000 0.832 850 P CB -0.141 30.912 31.700 -1.079 0.000 0.787 851 F N 0.710 120.512 119.950 -0.247 0.000 2.075 851 F HA -0.189 4.337 4.527 -0.002 0.000 0.297 851 F C 2.000 177.770 175.800 -0.050 0.000 1.113 851 F CA 1.459 59.383 58.000 -0.128 0.000 1.218 851 F CB -1.015 37.931 39.000 -0.090 0.000 0.984 851 F HN -0.322 nan 8.300 nan 0.000 0.472 852 V N -0.192 119.682 119.914 -0.066 0.000 2.392 852 V HA -0.309 3.810 4.120 -0.002 0.000 0.249 852 V C 2.476 178.498 176.094 -0.119 0.000 1.059 852 V CA 2.095 64.329 62.300 -0.111 0.000 1.051 852 V CB -1.086 30.750 31.823 0.021 0.000 0.658 852 V HN 0.395 nan 8.190 nan 0.000 0.455 853 S N -0.685 114.972 115.700 -0.071 0.000 2.382 853 S HA -0.204 4.264 4.470 -0.002 0.000 0.228 853 S C 2.047 176.666 174.600 0.032 0.000 1.027 853 S CA 1.501 59.706 58.200 0.008 0.000 0.991 853 S CB -0.243 63.015 63.200 0.095 0.000 0.823 853 S HN 0.425 nan 8.310 nan 0.000 0.469 854 K N 1.738 122.114 120.400 -0.040 0.000 2.076 854 K HA 0.250 4.569 4.320 -0.002 0.000 0.204 854 K C 2.090 178.715 176.600 0.042 0.000 1.051 854 K CA 1.074 57.368 56.287 0.012 0.000 0.949 854 K CB -0.660 31.782 32.500 -0.098 0.000 0.726 854 K HN 0.260 nan 8.250 nan 0.000 0.443 855 A N -0.201 122.511 122.820 -0.179 0.000 1.898 855 A HA -0.121 4.198 4.320 -0.002 0.000 0.216 855 A C 2.083 179.694 177.584 0.046 0.000 1.181 855 A CA 2.194 54.170 52.037 -0.101 0.000 0.620 855 A CB -0.920 17.840 19.000 -0.399 0.000 0.819 855 A HN 0.470 nan 8.150 nan 0.000 0.442 856 T N -4.698 109.833 114.554 -0.037 0.000 3.086 856 T HA 0.389 4.738 4.350 -0.002 0.000 0.250 856 T C 1.432 176.058 174.700 -0.122 0.000 1.074 856 T CA 1.105 63.167 62.100 -0.062 0.000 0.988 856 T CB 0.004 68.827 68.868 -0.074 0.000 0.988 856 T HN 1.657 nan 8.240 nan 0.000 0.530 857 G N 0.849 109.564 108.800 -0.142 0.000 2.205 857 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.269 857 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.269 857 G C 0.119 174.859 174.900 -0.266 0.000 0.977 857 G CA 0.352 45.073 45.100 -0.631 0.000 0.652 857 G HN 0.729 nan 8.290 nan 0.000 0.539 858 V N 2.097 121.946 119.914 -0.108 0.000 2.407 858 V HA 0.450 4.568 4.120 -0.002 0.000 0.278 858 V C -1.777 174.338 176.094 0.035 0.000 1.037 858 V CA -1.465 60.810 62.300 -0.042 0.000 0.900 858 V CB 1.865 33.669 31.823 -0.032 0.000 0.983 858 V HN 0.077 nan 8.190 nan 0.000 0.459 859 P HA 0.254 nan 4.420 nan 0.000 0.238 859 P C 1.005 178.401 177.300 0.161 0.000 1.794 859 P CA -0.098 63.101 63.100 0.166 0.000 1.088 859 P CB 0.333 32.101 31.700 0.113 0.000 1.923 860 L N 1.366 122.670 121.223 0.135 0.000 2.051 860 L HA -0.279 4.060 4.340 -0.002 0.000 0.214 860 L C 2.402 179.347 176.870 0.125 0.000 1.076 860 L CA 2.110 57.010 54.840 0.100 0.000 0.758 860 L CB -1.047 41.045 42.059 0.054 0.000 0.890 860 L HN 0.206 nan 8.230 nan 0.000 0.433 861 A N -0.055 122.858 122.820 0.155 0.000 1.969 861 A HA -0.186 4.133 4.320 -0.002 0.000 0.218 861 A C 2.327 180.097 177.584 0.310 0.000 1.169 861 A CA 1.552 53.671 52.037 0.136 0.000 0.635 861 A CB -0.277 18.732 19.000 0.014 0.000 0.810 861 A HN 0.381 nan 8.150 nan 0.000 0.445 862 K N -0.404 120.139 120.400 0.238 0.000 2.025 862 K HA -0.036 4.283 4.320 -0.002 0.000 0.207 862 K C 1.883 178.559 176.600 0.127 0.000 1.049 862 K CA 1.344 57.715 56.287 0.140 0.000 0.933 862 K CB -0.442 32.071 32.500 0.022 0.000 0.714 862 K HN 0.280 nan 8.250 nan 0.000 0.438 863 V N 1.816 121.800 119.914 0.115 0.000 2.255 863 V HA -0.273 3.846 4.120 -0.002 0.000 0.247 863 V C 2.431 178.594 176.094 0.115 0.000 1.051 863 V CA 2.174 64.531 62.300 0.094 0.000 1.018 863 V CB -0.790 31.079 31.823 0.077 0.000 0.641 863 V HN 0.381 nan 8.190 nan 0.000 0.445 864 A N -0.292 122.626 122.820 0.162 0.000 2.019 864 A HA -0.039 4.280 4.320 -0.002 0.000 0.219 864 A C 2.377 180.068 177.584 0.178 0.000 1.164 864 A CA 1.903 54.055 52.037 0.191 0.000 0.644 864 A CB -0.621 18.527 19.000 0.248 0.000 0.805 864 A HN 0.574 nan 8.150 nan 0.000 0.449 865 A N 0.147 123.086 122.820 0.199 0.000 1.873 865 A HA -0.133 4.186 4.320 -0.002 0.000 0.215 865 A C 2.229 179.811 177.584 -0.004 0.000 1.186 865 A CA 1.383 53.440 52.037 0.033 0.000 0.616 865 A CB -0.457 18.569 19.000 0.043 0.000 0.823 865 A HN 0.546 nan 8.150 nan 0.000 0.442 866 R N -0.600 119.930 120.500 0.049 0.000 2.083 866 R HA -0.106 4.233 4.340 -0.002 0.000 0.237 866 R C 2.028 178.357 176.300 0.049 0.000 1.137 866 R CA 1.478 57.613 56.100 0.058 0.000 0.951 866 R CB -0.792 29.554 30.300 0.077 0.000 0.851 866 R HN 0.364 nan 8.270 nan 0.000 0.434 867 V N 1.515 121.462 119.914 0.055 0.000 2.282 867 V HA -0.317 3.802 4.120 -0.002 0.000 0.249 867 V C 2.409 178.521 176.094 0.029 0.000 1.057 867 V CA 1.941 64.272 62.300 0.053 0.000 1.032 867 V CB -0.390 31.473 31.823 0.067 0.000 0.645 867 V HN 0.352 nan 8.190 nan 0.000 0.447 868 M N -0.520 119.081 119.600 0.002 0.000 2.149 868 M HA -0.170 4.308 4.480 -0.002 0.000 0.261 868 M C 2.132 178.395 176.300 -0.062 0.000 1.064 868 M CA 2.077 57.354 55.300 -0.039 0.000 1.102 868 M CB -0.451 32.090 32.600 -0.098 0.000 1.369 868 M HN 0.416 nan 8.290 nan 0.000 0.408 869 A N -0.853 121.919 122.820 -0.080 0.000 2.167 869 A HA 0.273 4.592 4.320 -0.002 0.000 0.214 869 A C 1.651 179.256 177.584 0.034 0.000 1.151 869 A CA 1.179 53.150 52.037 -0.110 0.000 0.735 869 A CB -0.453 18.396 19.000 -0.251 0.000 0.802 869 A HN 0.656 nan 8.150 nan 0.000 0.467 870 G N -1.560 107.268 108.800 0.047 0.000 2.227 870 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.168 870 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.168 870 G C 0.119 175.062 174.900 0.072 0.000 1.006 870 G CA 0.080 45.221 45.100 0.068 0.000 0.684 870 G HN 0.402 nan 8.290 nan 0.000 0.489 871 K N 2.142 122.587 120.400 0.076 0.000 2.253 871 K HA 0.531 4.850 4.320 -0.002 0.000 0.277 871 K C 1.108 177.742 176.600 0.056 0.000 1.053 871 K CA 0.270 56.596 56.287 0.065 0.000 0.892 871 K CB 0.924 33.467 32.500 0.072 0.000 1.102 871 K HN 0.424 nan 8.250 nan 0.000 0.469 872 S N 3.231 118.961 115.700 0.050 0.000 2.572 872 S HA 0.010 4.479 4.470 -0.002 0.000 0.267 872 S C 1.491 176.121 174.600 0.050 0.000 1.361 872 S CA -0.322 57.909 58.200 0.051 0.000 1.009 872 S CB 0.491 63.718 63.200 0.045 0.000 0.888 872 S HN 0.628 nan 8.310 nan 0.000 0.553 873 L N 1.731 122.987 121.223 0.054 0.000 2.046 873 L HA -0.064 4.275 4.340 -0.002 0.000 0.208 873 L C 3.121 180.015 176.870 0.039 0.000 1.077 873 L CA 1.589 56.458 54.840 0.049 0.000 0.747 873 L CB -1.247 40.844 42.059 0.055 0.000 0.896 873 L HN 0.958 nan 8.230 nan 0.000 0.432 874 A N 0.156 123.000 122.820 0.039 0.000 1.884 874 A HA -0.303 4.016 4.320 -0.002 0.000 0.219 874 A C 2.141 179.740 177.584 0.025 0.000 1.197 874 A CA 2.199 54.255 52.037 0.031 0.000 0.637 874 A CB -0.678 18.340 19.000 0.030 0.000 0.827 874 A HN 0.465 nan 8.150 nan 0.000 0.450 875 E N -0.589 119.628 120.200 0.028 0.000 2.209 875 E HA -0.231 4.118 4.350 -0.002 0.000 0.196 875 E C 2.192 178.807 176.600 0.024 0.000 0.993 875 E CA 1.494 57.909 56.400 0.025 0.000 0.819 875 E CB -0.128 29.589 29.700 0.029 0.000 0.745 875 E HN 0.799 nan 8.360 nan 0.000 0.477 876 Q N -1.242 118.574 119.800 0.027 0.000 2.354 876 Q HA 0.102 4.441 4.340 -0.002 0.000 0.203 876 Q C 1.000 177.010 176.000 0.017 0.000 0.933 876 Q CA 0.517 56.335 55.803 0.025 0.000 0.901 876 Q CB 0.888 29.645 28.738 0.032 0.000 1.007 876 Q HN 0.318 nan 8.270 nan 0.000 0.495 877 G N 1.036 109.846 108.800 0.017 0.000 2.171 877 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.238 877 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.238 877 G C -0.191 174.714 174.900 0.009 0.000 1.039 877 G CA -0.032 45.075 45.100 0.011 0.000 0.759 877 G HN 0.186 nan 8.290 nan 0.000 0.501 878 V N 1.285 121.208 119.914 0.015 0.000 2.315 878 V HA 0.517 4.636 4.120 -0.002 0.000 0.265 878 V C 1.022 177.127 176.094 0.019 0.000 1.019 878 V CA 0.446 62.754 62.300 0.014 0.000 0.824 878 V CB 0.620 32.455 31.823 0.020 0.000 1.072 878 V HN 0.664 nan 8.190 nan 0.000 0.448 879 T N -1.072 113.491 114.554 0.014 0.000 2.964 879 T HA 0.256 4.605 4.350 -0.002 0.000 0.249 879 T C 0.615 175.322 174.700 0.012 0.000 1.000 879 T CA -0.215 61.896 62.100 0.018 0.000 0.992 879 T CB 0.499 69.378 68.868 0.019 0.000 1.087 879 T HN 0.394 nan 8.240 nan 0.000 0.489 880 K N 2.355 122.757 120.400 0.003 0.000 2.110 880 K HA 0.455 4.773 4.320 -0.002 0.000 0.263 880 K C -0.381 176.213 176.600 -0.010 0.000 0.975 880 K CA -0.439 55.845 56.287 -0.004 0.000 0.895 880 K CB 2.120 34.615 32.500 -0.008 0.000 1.060 880 K HN 0.426 nan 8.250 nan 0.000 0.448 881 E N 1.853 122.045 120.200 -0.012 0.000 2.313 881 E HA 0.148 4.497 4.350 -0.002 0.000 0.276 881 E C -1.019 175.561 176.600 -0.033 0.000 1.031 881 E CA -0.606 55.783 56.400 -0.018 0.000 0.857 881 E CB 1.015 30.708 29.700 -0.013 0.000 1.040 881 E HN 0.203 nan 8.360 nan 0.000 0.408 882 V N 6.543 126.431 119.914 -0.044 0.000 2.370 882 V HA 0.266 4.385 4.120 -0.002 0.000 0.279 882 V C 0.023 176.063 176.094 -0.089 0.000 1.029 882 V CA -0.641 61.618 62.300 -0.068 0.000 0.870 882 V CB 1.089 32.865 31.823 -0.077 0.000 0.984 882 V HN 0.622 nan 8.190 nan 0.000 0.451 883 I N 7.252 127.757 120.570 -0.108 0.000 2.359 883 I HA 0.373 4.541 4.170 -0.002 0.000 0.284 883 I C -2.151 173.835 176.117 -0.218 0.000 1.018 883 I CA -1.820 59.394 61.300 -0.144 0.000 1.173 883 I CB 1.664 39.595 38.000 -0.114 0.000 1.326 883 I HN 0.419 nan 8.210 nan 0.000 0.462 884 P HA 0.222 nan 4.420 nan 0.000 0.272 884 P C -2.043 174.921 177.300 -0.560 0.000 1.230 884 P CA -1.155 61.605 63.100 -0.566 0.000 0.788 884 P CB 0.018 31.091 31.700 -1.045 0.000 0.949 885 P HA -0.050 nan 4.420 nan 0.000 0.225 885 P C 0.128 177.319 177.300 -0.182 0.000 1.156 885 P CA 1.302 64.260 63.100 -0.236 0.000 0.787 885 P CB -0.184 31.494 31.700 -0.036 0.000 0.802 886 Y N -2.441 117.829 120.300 -0.050 0.000 2.596 886 Y HA 0.626 5.175 4.550 -0.002 0.000 0.326 886 Y C -0.087 175.778 175.900 -0.059 0.000 1.167 886 Y CA -2.283 55.811 58.100 -0.010 0.000 1.246 886 Y CB -0.230 38.254 38.460 0.040 0.000 1.347 886 Y HN -0.313 nan 8.280 nan 0.000 0.515 887 Y N 0.248 120.746 120.300 0.331 0.000 2.323 887 Y HA 0.548 5.097 4.550 -0.002 0.000 0.331 887 Y C -0.165 175.932 175.900 0.330 0.000 1.092 887 Y CA -0.233 58.033 58.100 0.277 0.000 1.150 887 Y CB 1.907 40.526 38.460 0.264 0.000 1.200 887 Y HN 0.620 nan 8.280 nan 0.000 0.472 888 S N 2.380 118.367 115.700 0.477 0.000 2.519 888 S HA 0.672 5.141 4.470 -0.002 0.000 0.309 888 S C -1.136 173.815 174.600 0.586 0.000 1.100 888 S CA -0.710 57.745 58.200 0.424 0.000 1.059 888 S CB 1.213 64.529 63.200 0.194 0.000 1.008 888 S HN 0.333 nan 8.310 nan 0.000 0.478 889 V N 4.052 124.232 119.914 0.443 0.000 2.604 889 V HA 0.549 4.668 4.120 -0.002 0.000 0.305 889 V C -0.144 176.005 176.094 0.092 0.000 1.043 889 V CA -0.820 61.648 62.300 0.279 0.000 0.888 889 V CB 1.965 33.850 31.823 0.103 0.000 0.995 889 V HN 0.717 nan 8.190 nan 0.000 0.429 890 K N 3.256 123.492 120.400 -0.274 0.000 2.221 890 K HA 0.668 4.986 4.320 -0.002 0.000 0.258 890 K C -1.119 175.321 176.600 -0.266 0.000 0.944 890 K CA -0.405 55.624 56.287 -0.430 0.000 0.823 890 K CB 2.199 34.066 32.500 -1.054 0.000 1.113 890 K HN 0.751 nan 8.250 nan 0.000 0.431 891 E N 2.505 122.577 120.200 -0.213 0.000 2.312 891 E HA 0.344 4.693 4.350 -0.002 0.000 0.267 891 E C -1.217 175.303 176.600 -0.133 0.000 0.894 891 E CA -0.859 55.436 56.400 -0.176 0.000 0.773 891 E CB 1.734 31.293 29.700 -0.237 0.000 1.241 891 E HN 0.396 nan 8.360 nan 0.000 0.432 892 V N 0.752 120.610 119.914 -0.092 0.000 3.211 892 V HA 0.858 4.977 4.120 -0.002 0.000 0.319 892 V C -0.205 175.855 176.094 -0.055 0.000 1.096 892 V CA -0.565 61.691 62.300 -0.074 0.000 1.029 892 V CB 1.460 33.247 31.823 -0.059 0.000 1.137 892 V HN 0.582 nan 8.190 nan 0.000 0.453 893 V N 0.192 120.074 119.914 -0.053 0.000 2.540 893 V HA 0.751 4.870 4.120 -0.002 0.000 0.302 893 V C -0.596 175.455 176.094 -0.073 0.000 1.035 893 V CA -0.625 61.646 62.300 -0.048 0.000 0.873 893 V CB 0.917 32.714 31.823 -0.043 0.000 0.992 893 V HN 0.840 nan 8.190 nan 0.000 0.428 894 L N 5.837 127.002 121.223 -0.095 0.000 2.334 894 L HA 0.626 4.964 4.340 -0.002 0.000 0.276 894 L C -1.628 175.065 176.870 -0.296 0.000 1.014 894 L CA -1.435 53.249 54.840 -0.259 0.000 0.815 894 L CB 2.489 44.309 42.059 -0.400 0.000 1.268 894 L HN 0.467 nan 8.230 nan 0.000 0.428 895 P HA 0.045 nan 4.420 nan 0.000 0.255 895 P C 1.093 178.254 177.300 -0.231 0.000 1.357 895 P CA 0.156 63.090 63.100 -0.277 0.000 0.839 895 P CB 0.005 31.577 31.700 -0.213 0.000 1.356 896 F N 2.545 122.546 119.950 0.085 0.000 2.154 896 F HA -0.229 4.297 4.527 -0.002 0.000 0.301 896 F C 2.203 178.010 175.800 0.011 0.000 1.087 896 F CA 1.598 59.666 58.000 0.114 0.000 1.274 896 F CB -1.859 37.237 39.000 0.160 0.000 1.009 896 F HN 0.123 nan 8.300 nan 0.000 0.485 897 N N 0.580 119.352 118.700 0.119 0.000 2.364 897 N HA -0.189 4.550 4.740 -0.002 0.000 0.183 897 N C 1.211 176.641 175.510 -0.133 0.000 1.022 897 N CA 1.122 54.177 53.050 0.009 0.000 0.883 897 N CB -0.512 37.971 38.487 -0.008 0.000 0.965 897 N HN 0.204 nan 8.380 nan 0.000 0.438 898 K N -0.327 119.875 120.400 -0.330 0.000 2.365 898 K HA 0.096 4.415 4.320 -0.002 0.000 0.197 898 K C -0.331 175.808 176.600 -0.768 0.000 1.042 898 K CA 0.207 56.114 56.287 -0.633 0.000 0.987 898 K CB 0.080 31.963 32.500 -1.028 0.000 0.779 898 K HN 0.255 nan 8.250 nan 0.000 0.484 899 F N 1.189 121.105 119.950 -0.055 0.000 2.622 899 F HA 0.270 4.795 4.527 -0.002 0.000 0.338 899 F C -1.733 174.100 175.800 0.056 0.000 1.334 899 F CA -2.584 55.415 58.000 -0.001 0.000 1.179 899 F CB 1.277 40.246 39.000 -0.052 0.000 1.471 899 F HN -0.162 nan 8.300 nan 0.000 0.576 900 P HA -0.174 nan 4.420 nan 0.000 0.216 900 P C 1.823 179.186 177.300 0.105 0.000 1.154 900 P CA 1.594 64.749 63.100 0.092 0.000 0.865 900 P CB 0.176 31.893 31.700 0.029 0.000 0.789 901 G N -0.473 108.401 108.800 0.123 0.000 2.653 901 G HA2 -0.007 3.952 3.960 -0.002 0.000 0.212 901 G HA3 -0.007 3.952 3.960 -0.002 0.000 0.212 901 G C 0.452 175.419 174.900 0.111 0.000 1.138 901 G CA 0.044 45.202 45.100 0.096 0.000 0.782 901 G HN 0.233 nan 8.290 nan 0.000 0.535 902 V N 0.612 120.628 119.914 0.170 0.000 2.539 902 V HA 0.191 4.310 4.120 -0.002 0.000 0.292 902 V C -0.307 175.811 176.094 0.040 0.000 1.045 902 V CA -1.123 61.283 62.300 0.177 0.000 0.945 902 V CB 1.890 33.944 31.823 0.385 0.000 0.993 902 V HN 0.093 nan 8.190 nan 0.000 0.464 903 D N 6.360 126.738 120.400 -0.036 0.000 2.358 903 D HA 0.155 4.794 4.640 -0.002 0.000 0.258 903 D C -2.070 173.969 176.300 -0.435 0.000 1.223 903 D CA -1.749 52.153 54.000 -0.165 0.000 0.886 903 D CB 1.530 42.264 40.800 -0.111 0.000 1.120 903 D HN 0.256 nan 8.370 nan 0.000 0.482 904 P HA 0.116 nan 4.420 nan 0.000 0.238 904 P C -0.590 176.298 177.300 -0.687 0.000 1.714 904 P CA -0.313 62.045 63.100 -1.237 0.000 0.908 904 P CB -0.272 31.159 31.700 -0.450 0.000 1.893 905 L N 0.397 121.309 121.223 -0.518 0.000 2.365 905 L HA 0.368 4.706 4.340 -0.002 0.000 0.273 905 L C -0.442 176.455 176.870 0.046 0.000 1.000 905 L CA -1.118 53.650 54.840 -0.119 0.000 0.819 905 L CB 1.332 43.333 42.059 -0.097 0.000 1.284 905 L HN -0.092 nan 8.230 nan 0.000 0.418 906 L N 4.208 125.508 121.223 0.129 0.000 2.467 906 L HA 0.681 5.020 4.340 -0.002 0.000 0.270 906 L C 0.774 177.716 176.870 0.121 0.000 1.205 906 L CA 0.240 55.182 54.840 0.170 0.000 0.828 906 L CB 0.298 42.457 42.059 0.167 0.000 1.101 906 L HN 0.850 nan 8.230 nan 0.000 0.479 907 G N 0.697 109.575 108.800 0.130 0.000 2.489 907 G HA2 0.333 4.292 3.960 -0.002 0.000 0.305 907 G HA3 0.333 4.292 3.960 -0.002 0.000 0.305 907 G C -2.648 172.322 174.900 0.116 0.000 1.311 907 G CA -0.367 44.788 45.100 0.092 0.000 0.813 907 G HN 0.328 nan 8.290 nan 0.000 0.480 908 P HA 0.009 nan 4.420 nan 0.000 0.234 908 P C 0.323 177.741 177.300 0.197 0.000 1.167 908 P CA 0.938 64.108 63.100 0.116 0.000 0.763 908 P CB 0.426 32.148 31.700 0.035 0.000 0.835 909 E N -0.078 120.186 120.200 0.106 0.000 2.204 909 E HA 0.344 4.693 4.350 -0.002 0.000 0.276 909 E C -0.569 175.969 176.600 -0.103 0.000 0.974 909 E CA -0.974 55.430 56.400 0.007 0.000 0.815 909 E CB 0.947 30.618 29.700 -0.050 0.000 1.119 909 E HN -0.112 nan 8.360 nan 0.000 0.393 910 M N 4.162 123.515 119.600 -0.411 0.000 2.211 910 M HA 0.201 4.680 4.480 -0.002 0.000 0.356 910 M C 0.183 176.348 176.300 -0.225 0.000 1.216 910 M CA 0.239 55.290 55.300 -0.415 0.000 1.134 910 M CB 0.520 32.690 32.600 -0.715 0.000 1.564 910 M HN 0.527 nan 8.290 nan 0.000 0.463 911 R N 1.065 121.495 120.500 -0.117 0.000 2.544 911 R HA 0.181 4.520 4.340 -0.002 0.000 0.303 911 R C -0.001 176.288 176.300 -0.018 0.000 0.939 911 R CA 0.179 56.235 56.100 -0.073 0.000 1.102 911 R CB 0.684 30.977 30.300 -0.012 0.000 1.440 911 R HN 0.838 nan 8.270 nan 0.000 0.532 912 S N -0.823 114.845 115.700 -0.053 0.000 2.579 912 S HA 0.043 4.512 4.470 -0.002 0.000 0.275 912 S C 1.183 175.765 174.600 -0.029 0.000 1.345 912 S CA 0.249 58.415 58.200 -0.056 0.000 1.031 912 S CB 1.549 64.717 63.200 -0.053 0.000 0.892 912 S HN 0.287 nan 8.310 nan 0.000 0.529 913 T N -0.688 113.846 114.554 -0.034 0.000 3.023 913 T HA 0.502 4.850 4.350 -0.002 0.000 0.249 913 T C 0.850 175.535 174.700 -0.025 0.000 1.050 913 T CA 0.276 62.365 62.100 -0.018 0.000 1.088 913 T CB -0.252 68.603 68.868 -0.022 0.000 0.946 913 T HN 1.130 nan 8.240 nan 0.000 0.480 914 G N 0.550 109.327 108.800 -0.038 0.000 2.663 914 G HA2 0.615 4.574 3.960 -0.002 0.000 0.299 914 G HA3 0.615 4.574 3.960 -0.002 0.000 0.299 914 G C -2.099 172.767 174.900 -0.057 0.000 1.372 914 G CA -0.872 44.203 45.100 -0.041 0.000 0.781 914 G HN 0.539 nan 8.290 nan 0.000 0.491 915 E N -1.993 118.172 120.200 -0.059 0.000 2.413 915 E HA 0.671 5.020 4.350 -0.002 0.000 0.277 915 E C -1.157 175.409 176.600 -0.056 0.000 0.958 915 E CA -1.054 55.301 56.400 -0.076 0.000 0.779 915 E CB 2.353 31.990 29.700 -0.105 0.000 1.278 915 E HN 1.140 nan 8.360 nan 0.000 0.456 916 V N -1.283 118.591 119.914 -0.067 0.000 3.102 916 V HA 0.769 4.888 4.120 -0.002 0.000 0.312 916 V C -0.704 175.379 176.094 -0.018 0.000 1.135 916 V CA -1.043 61.231 62.300 -0.043 0.000 1.022 916 V CB 1.844 33.633 31.823 -0.057 0.000 1.056 916 V HN 0.936 nan 8.190 nan 0.000 0.436 917 M N 2.414 122.033 119.600 0.031 0.000 2.464 917 M HA 0.873 5.352 4.480 -0.002 0.000 0.308 917 M C -0.366 175.959 176.300 0.042 0.000 1.127 917 M CA -0.201 55.172 55.300 0.122 0.000 0.913 917 M CB 2.036 34.762 32.600 0.209 0.000 1.689 917 M HN 1.199 nan 8.290 nan 0.000 0.445 918 G N 3.085 111.917 108.800 0.053 0.000 2.590 918 G HA2 0.655 4.614 3.960 -0.002 0.000 0.310 918 G HA3 0.655 4.614 3.960 -0.002 0.000 0.310 918 G C -1.884 173.041 174.900 0.042 0.000 1.347 918 G CA -0.491 44.602 45.100 -0.011 0.000 0.963 918 G HN 0.623 nan 8.290 nan 0.000 0.494 919 V N 1.189 121.106 119.914 0.004 0.000 2.487 919 V HA 0.943 5.062 4.120 -0.002 0.000 0.298 919 V C 0.580 176.685 176.094 0.019 0.000 1.028 919 V CA -0.079 62.229 62.300 0.013 0.000 0.860 919 V CB 1.335 33.084 31.823 -0.124 0.000 0.991 919 V HN 1.142 nan 8.190 nan 0.000 0.427 920 G N 3.240 112.107 108.800 0.113 0.000 2.682 920 G HA2 0.527 4.485 3.960 -0.002 0.000 0.290 920 G HA3 0.527 4.485 3.960 -0.002 0.000 0.290 920 G C -0.139 174.892 174.900 0.218 0.000 1.425 920 G CA -0.787 44.378 45.100 0.107 0.000 0.807 920 G HN 0.553 nan 8.290 nan 0.000 0.482 921 R N -0.970 119.633 120.500 0.172 0.000 2.193 921 R HA 0.162 4.501 4.340 -0.002 0.000 0.213 921 R C 0.984 177.470 176.300 0.310 0.000 1.055 921 R CA 1.256 57.487 56.100 0.219 0.000 0.995 921 R CB 0.011 30.395 30.300 0.140 0.000 0.893 921 R HN 0.594 nan 8.270 nan 0.000 0.459 922 T N -3.647 111.055 114.554 0.246 0.000 2.916 922 T HA 0.228 4.577 4.350 -0.002 0.000 0.292 922 T C 0.394 175.077 174.700 -0.028 0.000 1.055 922 T CA -0.944 61.263 62.100 0.178 0.000 1.009 922 T CB 1.526 70.442 68.868 0.079 0.000 1.118 922 T HN 0.027 nan 8.240 nan 0.000 0.497 923 F N 2.041 121.628 119.950 -0.604 0.000 2.126 923 F HA 0.039 4.565 4.527 -0.002 0.000 0.299 923 F C 2.457 178.135 175.800 -0.203 0.000 1.096 923 F CA 1.949 59.548 58.000 -0.667 0.000 1.255 923 F CB -0.875 37.603 39.000 -0.870 0.000 0.997 923 F HN 0.760 nan 8.300 nan 0.000 0.479 924 A N -0.130 122.512 122.820 -0.297 0.000 1.978 924 A HA -0.255 4.064 4.320 -0.002 0.000 0.220 924 A C 2.278 179.733 177.584 -0.216 0.000 1.170 924 A CA 1.907 53.780 52.037 -0.274 0.000 0.636 924 A CB -1.016 17.944 19.000 -0.066 0.000 0.810 924 A HN 0.635 nan 8.150 nan 0.000 0.448 925 E N -0.461 119.657 120.200 -0.137 0.000 2.107 925 E HA -0.041 4.308 4.350 -0.002 0.000 0.191 925 E C 2.158 178.691 176.600 -0.111 0.000 0.982 925 E CA 0.778 57.126 56.400 -0.087 0.000 0.809 925 E CB -0.186 29.503 29.700 -0.020 0.000 0.756 925 E HN 0.560 nan 8.360 nan 0.000 0.459 926 A N 0.404 123.151 122.820 -0.122 0.000 1.930 926 A HA -0.142 4.177 4.320 -0.002 0.000 0.217 926 A C 1.913 179.372 177.584 -0.209 0.000 1.175 926 A CA 0.878 52.860 52.037 -0.091 0.000 0.627 926 A CB -0.710 18.302 19.000 0.021 0.000 0.815 926 A HN 0.449 nan 8.150 nan 0.000 0.443 927 F N 0.752 120.378 119.950 -0.541 0.000 2.234 927 F HA 0.035 4.561 4.527 -0.002 0.000 0.299 927 F C 2.463 178.066 175.800 -0.328 0.000 1.087 927 F CA 0.910 58.583 58.000 -0.544 0.000 1.340 927 F CB -0.153 38.276 39.000 -0.951 0.000 1.031 927 F HN 0.248 nan 8.300 nan 0.000 0.500 928 A N 0.068 122.778 122.820 -0.183 0.000 1.898 928 A HA -0.193 4.126 4.320 -0.002 0.000 0.216 928 A C 2.211 179.654 177.584 -0.235 0.000 1.181 928 A CA 1.769 53.699 52.037 -0.179 0.000 0.620 928 A CB -0.602 18.325 19.000 -0.121 0.000 0.819 928 A HN 0.398 nan 8.150 nan 0.000 0.442 929 K N -0.320 119.957 120.400 -0.206 0.000 2.097 929 K HA -0.015 4.304 4.320 -0.002 0.000 0.205 929 K C 2.290 178.768 176.600 -0.203 0.000 1.050 929 K CA 1.052 57.236 56.287 -0.172 0.000 0.938 929 K CB -0.297 32.133 32.500 -0.117 0.000 0.718 929 K HN 0.444 nan 8.250 nan 0.000 0.442 930 A N 1.107 123.756 122.820 -0.286 0.000 1.858 930 A HA -0.276 4.043 4.320 -0.002 0.000 0.216 930 A C 2.141 179.511 177.584 -0.357 0.000 1.190 930 A CA 1.666 53.511 52.037 -0.322 0.000 0.617 930 A CB -0.642 18.111 19.000 -0.412 0.000 0.827 930 A HN 0.354 nan 8.150 nan 0.000 0.443 931 Q N -1.049 118.448 119.800 -0.504 0.000 2.002 931 Q HA -0.206 4.133 4.340 -0.002 0.000 0.204 931 Q C 2.036 177.893 176.000 -0.239 0.000 0.988 931 Q CA 1.922 57.483 55.803 -0.404 0.000 0.843 931 Q CB -0.295 28.185 28.738 -0.429 0.000 0.908 931 Q HN 0.534 nan 8.270 nan 0.000 0.420 932 L N 0.142 121.236 121.223 -0.215 0.000 2.083 932 L HA -0.046 4.293 4.340 -0.002 0.000 0.209 932 L C 2.081 178.897 176.870 -0.089 0.000 1.083 932 L CA 2.292 57.044 54.840 -0.146 0.000 0.752 932 L CB -0.899 41.055 42.059 -0.176 0.000 0.899 932 L HN 0.328 nan 8.230 nan 0.000 0.433 933 G N -1.628 107.110 108.800 -0.104 0.000 2.448 933 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.219 933 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.219 933 G C 1.529 176.395 174.900 -0.057 0.000 1.127 933 G CA 0.845 45.906 45.100 -0.065 0.000 0.766 933 G HN 0.576 nan 8.290 nan 0.000 0.552 934 S N -0.492 115.159 115.700 -0.082 0.000 2.603 934 S HA 0.037 4.506 4.470 -0.002 0.000 0.220 934 S C 1.109 175.694 174.600 -0.025 0.000 0.967 934 S CA 0.732 58.894 58.200 -0.062 0.000 0.920 934 S CB -0.484 62.663 63.200 -0.089 0.000 0.773 934 S HN 0.557 nan 8.310 nan 0.000 0.529 935 N N 0.426 119.119 118.700 -0.012 0.000 2.869 935 N HA -0.189 4.550 4.740 -0.002 0.000 0.249 935 N C -0.297 175.239 175.510 0.044 0.000 1.104 935 N CA 0.622 53.685 53.050 0.022 0.000 0.760 935 N CB -1.650 36.851 38.487 0.024 0.000 1.108 935 N HN 0.584 nan 8.380 nan 0.000 0.555 936 S N -0.063 115.649 115.700 0.020 0.000 2.562 936 S HA 0.177 4.645 4.470 -0.002 0.000 0.281 936 S C 1.532 176.166 174.600 0.057 0.000 1.333 936 S CA 0.819 59.052 58.200 0.056 0.000 1.052 936 S CB 1.072 64.205 63.200 -0.111 0.000 0.884 936 S HN 0.310 nan 8.310 nan 0.000 0.506 937 T N 2.868 117.509 114.554 0.145 0.000 3.122 937 T HA 0.225 4.574 4.350 -0.002 0.000 0.250 937 T C 0.538 175.314 174.700 0.127 0.000 1.067 937 T CA -0.447 61.737 62.100 0.139 0.000 0.966 937 T CB -0.357 68.616 68.868 0.174 0.000 1.002 937 T HN 0.585 nan 8.240 nan 0.000 0.542 938 M N 3.154 122.774 119.600 0.032 0.000 2.245 938 M HA 0.213 4.692 4.480 -0.002 0.000 0.335 938 M C -0.186 176.113 176.300 -0.002 0.000 1.155 938 M CA 0.089 55.383 55.300 -0.010 0.000 1.055 938 M CB 0.204 32.607 32.600 -0.327 0.000 1.670 938 M HN 0.032 nan 8.290 nan 0.000 0.447 939 K N 4.056 124.474 120.400 0.030 0.000 2.313 939 K HA 0.417 4.736 4.320 -0.002 0.000 0.235 939 K C -0.351 176.259 176.600 0.017 0.000 1.035 939 K CA -0.814 55.442 56.287 -0.051 0.000 0.868 939 K CB 1.077 33.383 32.500 -0.324 0.000 1.232 939 K HN 0.612 nan 8.250 nan 0.000 0.459 940 K N 0.958 121.357 120.400 -0.002 0.000 2.440 940 K HA 0.101 4.420 4.320 -0.002 0.000 0.206 940 K C 0.314 176.852 176.600 -0.103 0.000 1.025 940 K CA -0.111 56.222 56.287 0.077 0.000 1.135 940 K CB 0.070 32.619 32.500 0.082 0.000 0.856 940 K HN 0.616 nan 8.250 nan 0.000 0.502 941 H N -2.007 116.824 119.070 -0.399 0.000 2.960 941 H HA 0.634 5.189 4.556 -0.002 0.000 0.323 941 H C 0.090 174.965 175.328 -0.754 0.000 1.326 941 H CA -0.343 55.285 56.048 -0.700 0.000 1.124 941 H CB 1.273 30.857 29.762 -0.297 0.000 1.853 941 H HN 0.118 nan 8.280 nan 0.000 0.536 942 G N 0.639 109.137 108.800 -0.504 0.000 2.428 942 G HA2 -0.107 3.852 3.960 -0.002 0.000 0.202 942 G HA3 -0.107 3.852 3.960 -0.002 0.000 0.202 942 G C -1.178 173.728 174.900 0.010 0.000 1.247 942 G CA -0.376 44.636 45.100 -0.147 0.000 1.020 942 G HN 0.840 nan 8.290 nan 0.000 0.529 943 R N 0.248 120.916 120.500 0.281 0.000 2.445 943 R HA 0.689 5.028 4.340 -0.002 0.000 0.308 943 R C 0.229 176.875 176.300 0.576 0.000 0.961 943 R CA 0.088 56.448 56.100 0.432 0.000 0.862 943 R CB 1.184 31.679 30.300 0.324 0.000 1.144 943 R HN 1.362 nan 8.270 nan 0.000 0.447 944 A N 4.204 127.321 122.820 0.495 0.000 2.312 944 A HA 0.449 4.767 4.320 -0.002 0.000 0.326 944 A C -1.263 176.322 177.584 0.000 0.000 1.172 944 A CA -0.700 51.491 52.037 0.256 0.000 0.821 944 A CB 1.119 20.220 19.000 0.167 0.000 1.166 944 A HN 0.598 nan 8.150 nan 0.000 0.493 945 L N 2.712 123.727 121.223 -0.347 0.000 2.272 945 L HA 0.679 5.017 4.340 -0.002 0.000 0.289 945 L C -1.456 175.216 176.870 -0.330 0.000 1.032 945 L CA -0.316 54.194 54.840 -0.550 0.000 0.810 945 L CB 0.903 42.293 42.059 -1.114 0.000 1.205 945 L HN 0.477 nan 8.230 nan 0.000 0.422 946 L N 4.673 125.779 121.223 -0.195 0.000 2.305 946 L HA 0.607 4.946 4.340 -0.002 0.000 0.284 946 L C 0.072 176.873 176.870 -0.115 0.000 1.013 946 L CA 0.136 54.891 54.840 -0.141 0.000 0.819 946 L CB 1.603 43.613 42.059 -0.081 0.000 1.227 946 L HN 0.696 nan 8.230 nan 0.000 0.417 947 S N 2.985 118.617 115.700 -0.114 0.000 2.356 947 S HA 0.582 5.050 4.470 -0.002 0.000 0.171 947 S C -0.686 173.876 174.600 -0.062 0.000 1.399 947 S CA -0.523 57.629 58.200 -0.080 0.000 1.225 947 S CB 0.358 63.500 63.200 -0.097 0.000 1.271 947 S HN 0.412 nan 8.310 nan 0.000 0.427 948 V N 2.963 122.854 119.914 -0.038 0.000 3.096 948 V HA 0.863 4.982 4.120 -0.002 0.000 0.319 948 V C -0.294 175.793 176.094 -0.011 0.000 1.103 948 V CA -1.304 60.982 62.300 -0.023 0.000 1.016 948 V CB 1.466 33.283 31.823 -0.011 0.000 1.090 948 V HN 0.760 nan 8.190 nan 0.000 0.449 949 R N 0.539 121.036 120.500 -0.006 0.000 2.549 949 R HA 0.547 4.886 4.340 -0.002 0.000 0.267 949 R C 0.987 177.291 176.300 0.007 0.000 1.045 949 R CA -0.517 55.577 56.100 -0.009 0.000 1.115 949 R CB 0.195 30.481 30.300 -0.023 0.000 1.121 949 R HN 0.665 nan 8.270 nan 0.000 0.543 950 E N 1.439 121.641 120.200 0.003 0.000 2.164 950 E HA -0.243 4.106 4.350 -0.002 0.000 0.233 950 E C 1.967 178.583 176.600 0.027 0.000 1.073 950 E CA 2.552 58.960 56.400 0.014 0.000 0.941 950 E CB -0.952 28.752 29.700 0.007 0.000 0.820 950 E HN 0.917 nan 8.360 nan 0.000 0.486 951 G N 0.004 108.823 108.800 0.031 0.000 2.527 951 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.219 951 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.219 951 G C 0.857 175.790 174.900 0.055 0.000 1.117 951 G CA 1.111 46.240 45.100 0.048 0.000 0.759 951 G HN 0.200 nan 8.290 nan 0.000 0.556 952 D N -0.674 119.757 120.400 0.051 0.000 2.441 952 D HA 0.112 4.751 4.640 -0.002 0.000 0.210 952 D C 2.126 178.462 176.300 0.060 0.000 1.102 952 D CA -0.001 54.038 54.000 0.066 0.000 0.840 952 D CB 0.216 41.054 40.800 0.062 0.000 0.990 952 D HN 0.214 nan 8.370 nan 0.000 0.505 953 K N 0.915 121.341 120.400 0.044 0.000 2.063 953 K HA -0.158 4.161 4.320 -0.002 0.000 0.208 953 K C 1.877 178.504 176.600 0.046 0.000 1.048 953 K CA 1.011 57.320 56.287 0.037 0.000 0.928 953 K CB 0.191 32.709 32.500 0.029 0.000 0.713 953 K HN 0.145 nan 8.250 nan 0.000 0.442 954 E N 0.692 120.922 120.200 0.050 0.000 2.028 954 E HA -0.196 4.153 4.350 -0.002 0.000 0.191 954 E C 2.141 178.786 176.600 0.075 0.000 0.988 954 E CA 1.031 57.462 56.400 0.051 0.000 0.799 954 E CB 0.088 29.813 29.700 0.042 0.000 0.755 954 E HN 0.118 nan 8.360 nan 0.000 0.447 955 R N 0.145 120.703 120.500 0.097 0.000 2.193 955 R HA -0.083 4.255 4.340 -0.002 0.000 0.229 955 R C 2.255 178.700 176.300 0.242 0.000 1.110 955 R CA 0.700 56.899 56.100 0.164 0.000 0.988 955 R CB -0.107 30.297 30.300 0.173 0.000 0.871 955 R HN 0.149 nan 8.270 nan 0.000 0.458 956 V N 0.087 120.083 119.914 0.136 0.000 2.913 956 V HA -0.138 3.981 4.120 -0.002 0.000 0.260 956 V C 1.773 177.897 176.094 0.050 0.000 1.098 956 V CA 1.327 63.666 62.300 0.065 0.000 1.121 956 V CB 0.136 31.969 31.823 0.018 0.000 0.714 956 V HN 0.171 nan 8.190 nan 0.000 0.487 957 V N 0.485 120.445 119.914 0.077 0.000 2.295 957 V HA -0.228 3.891 4.120 -0.002 0.000 0.246 957 V C 2.432 178.574 176.094 0.080 0.000 1.049 957 V CA 2.494 64.831 62.300 0.062 0.000 1.024 957 V CB -0.806 31.052 31.823 0.058 0.000 0.648 957 V HN 0.680 nan 8.190 nan 0.000 0.447 958 D N -0.199 120.289 120.400 0.147 0.000 2.144 958 D HA -0.168 4.471 4.640 -0.002 0.000 0.199 958 D C 1.940 178.338 176.300 0.162 0.000 0.984 958 D CA 1.125 55.240 54.000 0.192 0.000 0.834 958 D CB -0.124 40.844 40.800 0.280 0.000 0.955 958 D HN 0.318 nan 8.370 nan 0.000 0.465 959 L N 0.404 121.653 121.223 0.042 0.000 2.027 959 L HA 0.014 4.353 4.340 -0.002 0.000 0.206 959 L C 2.230 179.022 176.870 -0.130 0.000 1.074 959 L CA 2.124 56.800 54.840 -0.274 0.000 0.745 959 L CB -0.950 40.681 42.059 -0.712 0.000 0.898 959 L HN 0.040 nan 8.230 nan 0.000 0.433 960 A N -0.374 122.411 122.820 -0.059 0.000 1.908 960 A HA -0.159 4.160 4.320 -0.002 0.000 0.218 960 A C 2.465 180.052 177.584 0.006 0.000 1.181 960 A CA 1.930 53.954 52.037 -0.022 0.000 0.627 960 A CB -1.238 17.762 19.000 0.000 0.000 0.818 960 A HN 0.606 nan 8.150 nan 0.000 0.445 961 A N -0.175 122.659 122.820 0.024 0.000 1.865 961 A HA -0.226 4.093 4.320 -0.002 0.000 0.217 961 A C 2.108 179.717 177.584 0.040 0.000 1.191 961 A CA 2.125 54.187 52.037 0.041 0.000 0.623 961 A CB -0.535 18.498 19.000 0.054 0.000 0.826 961 A HN 0.537 nan 8.150 nan 0.000 0.444 962 K N -0.457 119.961 120.400 0.030 0.000 2.020 962 K HA -0.114 4.205 4.320 -0.002 0.000 0.212 962 K C 1.873 178.481 176.600 0.013 0.000 1.050 962 K CA 1.735 58.034 56.287 0.021 0.000 0.929 962 K CB -0.451 32.046 32.500 -0.004 0.000 0.714 962 K HN 0.499 nan 8.250 nan 0.000 0.443 963 L N 0.646 121.852 121.223 -0.029 0.000 2.083 963 L HA -0.202 4.137 4.340 -0.002 0.000 0.209 963 L C 2.277 179.249 176.870 0.169 0.000 1.083 963 L CA 1.043 55.878 54.840 -0.008 0.000 0.752 963 L CB -0.458 41.508 42.059 -0.155 0.000 0.899 963 L HN 0.178 nan 8.230 nan 0.000 0.433 964 L N -0.352 120.941 121.223 0.116 0.000 2.083 964 L HA -0.218 4.121 4.340 -0.002 0.000 0.209 964 L C 2.736 179.671 176.870 0.109 0.000 1.083 964 L CA 1.235 56.150 54.840 0.124 0.000 0.752 964 L CB -0.496 41.612 42.059 0.081 0.000 0.899 964 L HN 0.226 nan 8.230 nan 0.000 0.433 965 K N -0.009 120.445 120.400 0.088 0.000 2.147 965 K HA -0.226 4.093 4.320 -0.002 0.000 0.205 965 K C 1.952 178.605 176.600 0.089 0.000 1.049 965 K CA 1.340 57.670 56.287 0.073 0.000 0.936 965 K CB 0.111 32.647 32.500 0.059 0.000 0.722 965 K HN 0.177 nan 8.250 nan 0.000 0.446 966 Q N -1.035 118.848 119.800 0.138 0.000 2.444 966 Q HA 0.052 4.391 4.340 -0.002 0.000 0.206 966 Q C 0.471 176.560 176.000 0.147 0.000 0.948 966 Q CA 0.714 56.618 55.803 0.169 0.000 0.946 966 Q CB 0.623 29.499 28.738 0.229 0.000 1.027 966 Q HN 0.540 nan 8.270 nan 0.000 0.513 967 G N -1.072 107.802 108.800 0.123 0.000 2.141 967 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.231 967 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.231 967 G C -0.248 174.636 174.900 -0.027 0.000 0.984 967 G CA -0.350 44.767 45.100 0.028 0.000 0.660 967 G HN 0.246 nan 8.290 nan 0.000 0.525 968 F N 1.374 121.350 119.950 0.043 0.000 2.389 968 F HA 0.565 5.091 4.527 -0.002 0.000 0.337 968 F C 1.077 176.914 175.800 0.062 0.000 1.112 968 F CA -0.222 57.813 58.000 0.059 0.000 1.192 968 F CB 0.856 39.889 39.000 0.054 0.000 1.185 968 F HN 0.109 nan 8.300 nan 0.000 0.552 969 E N 2.293 122.640 120.200 0.244 0.000 2.280 969 E HA 0.594 4.943 4.350 -0.002 0.000 0.264 969 E C -1.146 175.589 176.600 0.224 0.000 1.064 969 E CA -0.695 55.812 56.400 0.177 0.000 0.900 969 E CB 1.325 31.097 29.700 0.120 0.000 1.123 969 E HN 0.399 nan 8.360 nan 0.000 0.418 970 L N 1.397 122.716 121.223 0.159 0.000 2.381 970 L HA 0.529 4.868 4.340 -0.002 0.000 0.268 970 L C -0.839 176.104 176.870 0.122 0.000 0.997 970 L CA -0.991 53.932 54.840 0.138 0.000 0.818 970 L CB 1.791 43.902 42.059 0.086 0.000 1.310 970 L HN 0.378 nan 8.230 nan 0.000 0.416 971 D N 1.185 121.655 120.400 0.117 0.000 2.433 971 D HA 0.844 5.483 4.640 -0.002 0.000 0.236 971 D C -0.949 175.365 176.300 0.023 0.000 1.026 971 D CA -0.088 53.982 54.000 0.117 0.000 0.884 971 D CB 2.449 43.391 40.800 0.237 0.000 1.384 971 D HN 0.712 nan 8.370 nan 0.000 0.477 972 A N 0.342 123.174 122.820 0.019 0.000 2.594 972 A HA 0.685 5.003 4.320 -0.002 0.000 0.295 972 A C -0.409 177.172 177.584 -0.005 0.000 1.071 972 A CA -0.811 51.217 52.037 -0.016 0.000 0.685 972 A CB 1.117 20.104 19.000 -0.021 0.000 1.285 972 A HN 0.463 nan 8.150 nan 0.000 0.405 973 T N -1.158 113.389 114.554 -0.010 0.000 2.913 973 T HA 0.391 4.740 4.350 -0.002 0.000 0.287 973 T C 1.105 175.839 174.700 0.056 0.000 1.008 973 T CA 0.588 62.701 62.100 0.021 0.000 1.067 973 T CB 0.665 69.540 68.868 0.010 0.000 0.996 973 T HN 0.839 nan 8.240 nan 0.000 0.513 974 H N 2.534 121.600 119.070 -0.007 0.000 2.275 974 H HA -0.288 4.267 4.556 -0.002 0.000 0.279 974 H C 2.337 177.667 175.328 0.004 0.000 1.121 974 H CA 2.968 59.017 56.048 0.002 0.000 1.175 974 H CB -0.847 28.920 29.762 0.007 0.000 1.390 974 H HN 0.857 nan 8.280 nan 0.000 0.521 975 G N -2.174 106.768 108.800 0.237 0.000 2.422 975 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.218 975 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.218 975 G C 1.737 176.669 174.900 0.053 0.000 1.146 975 G CA 1.284 46.476 45.100 0.154 0.000 0.769 975 G HN 0.503 nan 8.290 nan 0.000 0.547 976 T N 1.342 115.915 114.554 0.032 0.000 2.821 976 T HA 0.116 4.465 4.350 -0.002 0.000 0.267 976 T C 2.790 177.483 174.700 -0.012 0.000 1.046 976 T CA 1.262 63.365 62.100 0.006 0.000 1.139 976 T CB -0.225 68.639 68.868 -0.007 0.000 0.871 976 T HN 0.361 nan 8.240 nan 0.000 0.454 977 A N 1.516 124.316 122.820 -0.033 0.000 1.930 977 A HA 0.003 4.321 4.320 -0.002 0.000 0.217 977 A C 2.196 179.739 177.584 -0.068 0.000 1.175 977 A CA 0.828 52.831 52.037 -0.056 0.000 0.627 977 A CB -0.581 18.364 19.000 -0.091 0.000 0.815 977 A HN 0.346 nan 8.150 nan 0.000 0.443 978 I N 0.150 120.667 120.570 -0.087 0.000 2.091 978 I HA -0.223 3.946 4.170 -0.002 0.000 0.239 978 I C 2.536 178.640 176.117 -0.023 0.000 1.061 978 I CA 1.523 62.783 61.300 -0.067 0.000 1.317 978 I CB -1.269 36.712 38.000 -0.031 0.000 1.031 978 I HN 0.168 nan 8.210 nan 0.000 0.401 979 V N 0.863 120.774 119.914 -0.005 0.000 2.407 979 V HA -0.249 3.869 4.120 -0.002 0.000 0.248 979 V C 2.582 178.679 176.094 0.005 0.000 1.055 979 V CA 1.290 63.594 62.300 0.007 0.000 1.049 979 V CB -0.550 31.283 31.823 0.016 0.000 0.662 979 V HN 0.330 nan 8.190 nan 0.000 0.455 980 L N 0.407 121.629 121.223 -0.001 0.000 1.994 980 L HA -0.083 4.256 4.340 -0.002 0.000 0.208 980 L C 2.746 179.617 176.870 0.001 0.000 1.071 980 L CA 1.882 56.724 54.840 0.003 0.000 0.745 980 L CB -1.312 40.747 42.059 -0.000 0.000 0.892 980 L HN 0.456 nan 8.230 nan 0.000 0.431 981 G N -0.341 108.454 108.800 -0.009 0.000 2.469 981 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.219 981 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.219 981 G C 1.329 176.227 174.900 -0.003 0.000 1.150 981 G CA 0.652 45.746 45.100 -0.010 0.000 0.763 981 G HN 0.444 nan 8.290 nan 0.000 0.561 982 E N 0.444 120.643 120.200 -0.001 0.000 2.472 982 E HA 0.081 4.430 4.350 -0.002 0.000 0.200 982 E C 2.013 178.618 176.600 0.009 0.000 1.046 982 E CA 0.484 56.886 56.400 0.004 0.000 0.871 982 E CB 0.015 29.719 29.700 0.007 0.000 0.806 982 E HN 0.464 nan 8.360 nan 0.000 0.533 983 A N -0.139 122.687 122.820 0.011 0.000 2.538 983 A HA 0.454 4.773 4.320 -0.002 0.000 0.269 983 A C 1.327 178.920 177.584 0.016 0.000 1.231 983 A CA 0.383 52.429 52.037 0.016 0.000 0.948 983 A CB 0.394 19.407 19.000 0.021 0.000 1.110 983 A HN 0.217 nan 8.150 nan 0.000 0.529 984 G N -0.499 108.308 108.800 0.012 0.000 2.157 984 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.248 984 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.248 984 G C -0.029 174.880 174.900 0.015 0.000 0.979 984 G CA 0.296 45.404 45.100 0.013 0.000 0.650 984 G HN 0.487 nan 8.290 nan 0.000 0.529 985 I N 0.979 121.558 120.570 0.014 0.000 2.378 985 I HA 0.312 4.481 4.170 -0.002 0.000 0.291 985 I C -0.222 175.901 176.117 0.011 0.000 0.992 985 I CA -0.677 60.633 61.300 0.017 0.000 1.154 985 I CB 1.615 39.627 38.000 0.021 0.000 1.315 985 I HN 0.077 nan 8.210 nan 0.000 0.448 986 N N 8.008 126.716 118.700 0.013 0.000 2.707 986 N HA 0.352 5.091 4.740 -0.002 0.000 0.235 986 N C -2.455 173.065 175.510 0.016 0.000 1.028 986 N CA -1.316 51.739 53.050 0.008 0.000 0.906 986 N CB 1.106 39.597 38.487 0.006 0.000 1.131 986 N HN 0.352 nan 8.380 nan 0.000 0.509 987 P HA 0.147 nan 4.420 nan 0.000 0.276 987 P C -0.520 176.795 177.300 0.024 0.000 1.252 987 P CA -0.501 62.615 63.100 0.028 0.000 0.802 987 P CB 1.194 32.906 31.700 0.020 0.000 1.035 988 R N 1.178 121.704 120.500 0.043 0.000 2.340 988 R HA 0.311 4.649 4.340 -0.002 0.000 0.300 988 R C -0.325 175.999 176.300 0.039 0.000 1.069 988 R CA -0.613 55.511 56.100 0.039 0.000 0.984 988 R CB -0.019 30.314 30.300 0.054 0.000 1.003 988 R HN 0.387 nan 8.270 nan 0.000 0.459 989 L N 5.002 126.237 121.223 0.021 0.000 2.395 989 L HA 0.367 4.706 4.340 -0.002 0.000 0.269 989 L C -0.895 176.000 176.870 0.041 0.000 1.133 989 L CA -0.009 54.842 54.840 0.019 0.000 0.812 989 L CB 1.600 43.655 42.059 -0.006 0.000 1.125 989 L HN 0.496 nan 8.230 nan 0.000 0.452 990 V N 5.138 125.083 119.914 0.050 0.000 2.769 990 V HA 0.506 4.625 4.120 -0.002 0.000 0.312 990 V C -0.364 175.759 176.094 0.048 0.000 1.061 990 V CA -0.705 61.635 62.300 0.067 0.000 0.931 990 V CB 2.205 34.101 31.823 0.122 0.000 1.010 990 V HN 0.996 nan 8.190 nan 0.000 0.433 991 N N 3.588 122.315 118.700 0.045 0.000 2.524 991 N HA 0.395 5.134 4.740 -0.002 0.000 0.283 991 N C -0.811 174.698 175.510 -0.002 0.000 1.142 991 N CA -0.591 52.469 53.050 0.017 0.000 0.984 991 N CB 1.122 39.625 38.487 0.026 0.000 1.155 991 N HN 0.607 nan 8.380 nan 0.000 0.467 992 K N 0.475 120.792 120.400 -0.139 0.000 2.138 992 K HA 0.141 4.460 4.320 -0.002 0.000 0.251 992 K C 0.842 177.280 176.600 -0.269 0.000 1.015 992 K CA -0.586 55.555 56.287 -0.244 0.000 0.917 992 K CB 0.782 33.015 32.500 -0.445 0.000 1.021 992 K HN 0.205 nan 8.250 nan 0.000 0.485 993 V N 1.479 121.236 119.914 -0.263 0.000 2.469 993 V HA -0.253 3.865 4.120 -0.002 0.000 0.251 993 V C 1.850 177.894 176.094 -0.083 0.000 1.064 993 V CA 2.110 64.250 62.300 -0.266 0.000 1.066 993 V CB -1.232 30.359 31.823 -0.387 0.000 0.667 993 V HN 0.798 nan 8.190 nan 0.000 0.461 994 H N -0.897 118.164 119.070 -0.015 0.000 2.535 994 H HA 0.100 4.655 4.556 -0.002 0.000 0.273 994 H C 1.876 177.220 175.328 0.026 0.000 0.983 994 H CA 0.931 56.981 56.048 0.004 0.000 1.238 994 H CB -0.325 29.427 29.762 -0.016 0.000 1.412 994 H HN 0.444 nan 8.280 nan 0.000 0.562 995 E N 0.517 120.569 120.200 -0.246 0.000 2.285 995 E HA 0.226 4.574 4.350 -0.002 0.000 0.194 995 E C 0.774 177.371 176.600 -0.004 0.000 0.997 995 E CA 0.480 56.821 56.400 -0.099 0.000 0.845 995 E CB 0.361 29.965 29.700 -0.160 0.000 0.782 995 E HN 0.646 nan 8.360 nan 0.000 0.491 996 G N 0.019 108.838 108.800 0.030 0.000 2.350 996 G HA2 0.115 4.074 3.960 -0.002 0.000 0.282 996 G HA3 0.115 4.074 3.960 -0.002 0.000 0.282 996 G C -1.507 173.409 174.900 0.026 0.000 1.314 996 G CA -1.051 44.070 45.100 0.035 0.000 0.915 996 G HN -0.022 nan 8.290 nan 0.000 0.499 997 R N 0.146 120.619 120.500 -0.045 0.000 2.750 997 R HA 0.672 5.011 4.340 -0.002 0.000 0.281 997 R C -2.403 173.822 176.300 -0.126 0.000 0.972 997 R CA -1.349 54.652 56.100 -0.165 0.000 0.912 997 R CB 2.115 32.302 30.300 -0.189 0.000 1.187 997 R HN 0.457 nan 8.270 nan 0.000 0.464 998 P HA 0.228 nan 4.420 nan 0.000 0.282 998 P C -1.086 176.090 177.300 -0.206 0.000 1.259 998 P CA -0.437 62.481 63.100 -0.303 0.000 0.826 998 P CB 0.709 32.271 31.700 -0.230 0.000 1.064 999 H N -0.824 118.233 119.070 -0.022 0.000 2.810 999 H HA 0.442 4.997 4.556 -0.002 0.000 0.316 999 H C 0.988 176.320 175.328 0.006 0.000 1.426 999 H CA -0.938 55.097 56.048 -0.021 0.000 1.413 999 H CB 0.756 30.491 29.762 -0.044 0.000 1.874 999 H HN 0.091 nan 8.280 nan 0.000 0.737 1000 I N -0.091 120.639 120.570 0.268 0.000 2.185 1000 I HA -0.315 3.854 4.170 -0.002 0.000 0.246 1000 I C 2.787 179.034 176.117 0.217 0.000 1.088 1000 I CA 1.517 62.938 61.300 0.202 0.000 1.347 1000 I CB -0.304 37.737 38.000 0.069 0.000 1.041 1000 I HN 0.622 nan 8.210 nan 0.000 0.415 1001 Q N 0.676 120.618 119.800 0.237 0.000 2.167 1001 Q HA -0.210 4.129 4.340 -0.002 0.000 0.202 1001 Q C 1.564 177.655 176.000 0.151 0.000 0.970 1001 Q CA 1.622 57.517 55.803 0.154 0.000 0.855 1001 Q CB -0.135 28.607 28.738 0.006 0.000 0.911 1001 Q HN 0.526 nan 8.270 nan 0.000 0.438 1002 D N -0.037 120.505 120.400 0.237 0.000 2.149 1002 D HA -0.089 4.550 4.640 -0.002 0.000 0.201 1002 D C 2.010 178.261 176.300 -0.083 0.000 0.972 1002 D CA 0.648 54.645 54.000 -0.006 0.000 0.835 1002 D CB 0.016 40.712 40.800 -0.172 0.000 0.966 1002 D HN 0.277 nan 8.370 nan 0.000 0.476 1003 R N 0.387 120.862 120.500 -0.042 0.000 2.075 1003 R HA -0.023 4.316 4.340 -0.002 0.000 0.232 1003 R C 2.581 178.756 176.300 -0.208 0.000 1.126 1003 R CA 0.593 56.591 56.100 -0.170 0.000 0.963 1003 R CB -0.260 29.907 30.300 -0.222 0.000 0.858 1003 R HN 0.207 nan 8.270 nan 0.000 0.435 1004 I N 1.187 121.749 120.570 -0.013 0.000 2.099 1004 I HA -0.336 3.833 4.170 -0.002 0.000 0.239 1004 I C 2.701 178.641 176.117 -0.294 0.000 1.066 1004 I CA 1.445 62.751 61.300 0.010 0.000 1.324 1004 I CB -0.322 37.734 38.000 0.094 0.000 1.037 1004 I HN 0.144 nan 8.210 nan 0.000 0.401 1005 K N 1.313 121.412 120.400 -0.502 0.000 2.113 1005 K HA -0.223 4.096 4.320 -0.002 0.000 0.208 1005 K C 1.359 177.641 176.600 -0.531 0.000 1.047 1005 K CA 2.182 57.881 56.287 -0.980 0.000 0.928 1005 K CB -0.262 31.882 32.500 -0.592 0.000 0.716 1005 K HN 0.430 nan 8.250 nan 0.000 0.446 1006 N N -0.604 117.915 118.700 -0.303 0.000 2.449 1006 N HA 0.052 4.790 4.740 -0.002 0.000 0.191 1006 N C 0.393 175.805 175.510 -0.164 0.000 1.161 1006 N CA 0.401 53.331 53.050 -0.201 0.000 0.863 1006 N CB 0.592 38.985 38.487 -0.157 0.000 0.980 1006 N HN 0.427 nan 8.380 nan 0.000 0.458 1007 G N 1.067 109.767 108.800 -0.167 0.000 2.160 1007 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.251 1007 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.251 1007 G C 0.740 175.566 174.900 -0.124 0.000 1.008 1007 G CA 0.093 45.139 45.100 -0.089 0.000 0.724 1007 G HN 0.388 nan 8.290 nan 0.000 0.514 1008 E N -1.282 118.746 120.200 -0.287 0.000 2.274 1008 E HA -0.001 4.348 4.350 -0.002 0.000 0.194 1008 E C 0.262 176.641 176.600 -0.368 0.000 0.996 1008 E CA 0.901 57.046 56.400 -0.424 0.000 0.840 1008 E CB 0.120 29.361 29.700 -0.765 0.000 0.772 1008 E HN 0.705 nan 8.360 nan 0.000 0.491 1009 Y N -0.221 120.109 120.300 0.051 0.000 2.468 1009 Y HA 0.183 4.732 4.550 -0.002 0.000 0.342 1009 Y C 1.406 177.382 175.900 0.128 0.000 1.021 1009 Y CA -0.750 57.406 58.100 0.093 0.000 1.079 1009 Y CB 1.601 40.099 38.460 0.064 0.000 1.226 1009 Y HN -0.185 nan 8.280 nan 0.000 0.460 1010 T N -2.635 112.143 114.554 0.374 0.000 3.010 1010 T HA 0.239 4.588 4.350 -0.002 0.000 0.257 1010 T C -0.727 174.233 174.700 0.433 0.000 1.020 1010 T CA 0.013 62.300 62.100 0.311 0.000 0.938 1010 T CB -0.120 68.859 68.868 0.185 0.000 1.049 1010 T HN 0.507 nan 8.240 nan 0.000 0.522 1011 Y N 0.365 120.812 120.300 0.245 0.000 2.480 1011 Y HA 0.639 5.187 4.550 -0.002 0.000 0.329 1011 Y C -2.389 173.531 175.900 0.034 0.000 1.127 1011 Y CA -2.433 55.753 58.100 0.144 0.000 1.037 1011 Y CB 1.319 39.792 38.460 0.022 0.000 1.320 1011 Y HN 0.151 nan 8.280 nan 0.000 0.446 1012 I N 7.102 127.138 120.570 -0.890 0.000 2.533 1012 I HA 0.450 4.619 4.170 -0.002 0.000 0.290 1012 I C -1.379 174.203 176.117 -0.892 0.000 1.056 1012 I CA -1.027 59.807 61.300 -0.776 0.000 1.057 1012 I CB 2.185 39.962 38.000 -0.371 0.000 1.240 1012 I HN 0.570 nan 8.210 nan 0.000 0.423 1013 I N 6.799 126.994 120.570 -0.624 0.000 2.382 1013 I HA 0.393 4.562 4.170 -0.002 0.000 0.285 1013 I C -0.895 175.106 176.117 -0.193 0.000 1.007 1013 I CA 0.074 61.179 61.300 -0.325 0.000 1.142 1013 I CB 0.843 38.737 38.000 -0.176 0.000 1.289 1013 I HN 0.608 nan 8.210 nan 0.000 0.453 1014 N N 5.417 124.048 118.700 -0.115 0.000 2.549 1014 N HA 0.326 5.065 4.740 -0.002 0.000 0.281 1014 N C -1.330 174.157 175.510 -0.037 0.000 1.084 1014 N CA -0.288 52.708 53.050 -0.090 0.000 0.862 1014 N CB 1.195 39.609 38.487 -0.122 0.000 1.333 1014 N HN 0.655 nan 8.380 nan 0.000 0.523 1015 T N 0.485 115.022 114.554 -0.028 0.000 2.855 1015 T HA 0.626 4.975 4.350 -0.002 0.000 0.281 1015 T C -0.275 174.412 174.700 -0.021 0.000 1.007 1015 T CA -0.212 61.886 62.100 -0.004 0.000 1.009 1015 T CB 1.888 70.769 68.868 0.022 0.000 0.983 1015 T HN 0.237 nan 8.240 nan 0.000 0.455 1016 T N 1.880 116.420 114.554 -0.024 0.000 2.883 1016 T HA 0.723 5.072 4.350 -0.002 0.000 0.301 1016 T C -0.918 173.734 174.700 -0.080 0.000 1.158 1016 T CA -0.797 61.271 62.100 -0.053 0.000 1.007 1016 T CB 2.012 70.845 68.868 -0.058 0.000 1.186 1016 T HN 0.709 nan 8.240 nan 0.000 0.499 1017 S N -0.004 115.611 115.700 -0.142 0.000 2.546 1017 S HA 0.819 5.287 4.470 -0.002 0.000 0.272 1017 S C -0.311 174.086 174.600 -0.337 0.000 1.140 1017 S CA 0.050 58.078 58.200 -0.286 0.000 0.920 1017 S CB 1.628 64.610 63.200 -0.364 0.000 1.083 1017 S HN 1.494 nan 8.310 nan 0.000 0.476 1018 G N 2.406 110.951 108.800 -0.424 0.000 2.907 1018 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.686 1018 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.686 1018 G C 0.049 174.886 174.900 -0.105 0.000 1.115 1018 G CA -0.693 44.249 45.100 -0.262 0.000 0.760 1018 G HN 0.567 nan 8.290 nan 0.000 0.620 1019 R N 0.642 121.124 120.500 -0.030 0.000 2.103 1019 R HA -0.036 4.303 4.340 -0.002 0.000 0.242 1019 R C 2.756 179.043 176.300 -0.021 0.000 1.142 1019 R CA 1.945 58.042 56.100 -0.004 0.000 0.960 1019 R CB -0.332 29.988 30.300 0.034 0.000 0.858 1019 R HN 0.532 nan 8.270 nan 0.000 0.439 1020 R N -0.071 120.412 120.500 -0.028 0.000 2.075 1020 R HA 0.049 4.388 4.340 -0.002 0.000 0.230 1020 R C 2.030 178.302 176.300 -0.046 0.000 1.140 1020 R CA 1.774 57.854 56.100 -0.034 0.000 0.928 1020 R CB -1.159 29.120 30.300 -0.036 0.000 0.834 1020 R HN 0.280 nan 8.270 nan 0.000 0.429 1021 A N 1.216 123.999 122.820 -0.061 0.000 1.903 1021 A HA -0.200 4.119 4.320 -0.002 0.000 0.219 1021 A C 2.440 179.989 177.584 -0.059 0.000 1.191 1021 A CA 1.909 53.907 52.037 -0.064 0.000 0.638 1021 A CB -0.761 18.187 19.000 -0.086 0.000 0.823 1021 A HN 0.334 nan 8.150 nan 0.000 0.451 1022 I N -0.960 119.573 120.570 -0.062 0.000 2.163 1022 I HA -0.290 3.879 4.170 -0.002 0.000 0.243 1022 I C 2.563 178.649 176.117 -0.051 0.000 1.085 1022 I CA 1.920 63.187 61.300 -0.056 0.000 1.347 1022 I CB -0.532 37.439 38.000 -0.049 0.000 1.044 1022 I HN 0.442 nan 8.210 nan 0.000 0.408 1023 E N 0.642 120.817 120.200 -0.041 0.000 2.160 1023 E HA -0.240 4.108 4.350 -0.002 0.000 0.195 1023 E C 1.519 178.096 176.600 -0.038 0.000 0.991 1023 E CA 1.415 57.793 56.400 -0.036 0.000 0.810 1023 E CB 0.051 29.735 29.700 -0.027 0.000 0.742 1023 E HN 0.500 nan 8.360 nan 0.000 0.466 1024 D N -0.834 119.543 120.400 -0.038 0.000 2.249 1024 D HA -0.061 4.578 4.640 -0.002 0.000 0.205 1024 D C 1.828 178.110 176.300 -0.030 0.000 0.962 1024 D CA 0.900 54.882 54.000 -0.031 0.000 0.860 1024 D CB 0.021 40.803 40.800 -0.030 0.000 0.955 1024 D HN 0.125 nan 8.370 nan 0.000 0.505 1025 S N 0.138 115.811 115.700 -0.044 0.000 2.558 1025 S HA 0.039 4.507 4.470 -0.002 0.000 0.217 1025 S C 1.752 176.303 174.600 -0.083 0.000 0.975 1025 S CA -0.305 57.860 58.200 -0.058 0.000 0.912 1025 S CB 0.215 63.377 63.200 -0.063 0.000 0.776 1025 S HN 0.051 nan 8.310 nan 0.000 0.526 1026 R N 0.967 121.421 120.500 -0.077 0.000 2.174 1026 R HA -0.124 4.215 4.340 -0.002 0.000 0.253 1026 R C 2.042 178.280 176.300 -0.103 0.000 1.165 1026 R CA 1.660 57.705 56.100 -0.092 0.000 0.984 1026 R CB -0.763 29.497 30.300 -0.067 0.000 0.873 1026 R HN 0.429 nan 8.270 nan 0.000 0.456 1027 V N 0.929 120.792 119.914 -0.085 0.000 2.515 1027 V HA -0.199 3.920 4.120 -0.002 0.000 0.250 1027 V C 2.053 178.089 176.094 -0.097 0.000 1.058 1027 V CA 1.636 63.889 62.300 -0.080 0.000 1.064 1027 V CB -0.141 31.636 31.823 -0.077 0.000 0.675 1027 V HN 0.305 nan 8.190 nan 0.000 0.461 1028 I N -0.272 120.225 120.570 -0.121 0.000 2.202 1028 I HA -0.232 3.936 4.170 -0.002 0.000 0.242 1028 I C 2.729 178.698 176.117 -0.247 0.000 1.091 1028 I CA 1.843 63.053 61.300 -0.150 0.000 1.368 1028 I CB -0.543 37.360 38.000 -0.161 0.000 1.058 1028 I HN 0.229 nan 8.210 nan 0.000 0.410 1029 R N 0.575 120.889 120.500 -0.310 0.000 2.075 1029 R HA -0.063 4.275 4.340 -0.002 0.000 0.232 1029 R C 2.484 178.535 176.300 -0.415 0.000 1.126 1029 R CA 1.014 56.798 56.100 -0.526 0.000 0.963 1029 R CB -0.295 29.730 30.300 -0.459 0.000 0.858 1029 R HN 0.343 nan 8.270 nan 0.000 0.435 1030 R N 0.093 120.459 120.500 -0.223 0.000 2.096 1030 R HA -0.031 4.308 4.340 -0.002 0.000 0.235 1030 R C 2.396 178.648 176.300 -0.080 0.000 1.127 1030 R CA 1.432 57.454 56.100 -0.130 0.000 0.968 1030 R CB -0.216 30.038 30.300 -0.076 0.000 0.861 1030 R HN 0.119 nan 8.270 nan 0.000 0.440 1031 S N 0.782 116.455 115.700 -0.045 0.000 2.348 1031 S HA -0.127 4.342 4.470 -0.002 0.000 0.221 1031 S C 2.102 176.786 174.600 0.139 0.000 1.033 1031 S CA 1.264 59.527 58.200 0.106 0.000 1.010 1031 S CB -0.185 63.077 63.200 0.103 0.000 0.891 1031 S HN 0.478 nan 8.310 nan 0.000 0.442 1032 A N 1.098 123.896 122.820 -0.038 0.000 1.908 1032 A HA -0.098 4.220 4.320 -0.002 0.000 0.218 1032 A C 2.134 179.763 177.584 0.076 0.000 1.181 1032 A CA 1.489 53.520 52.037 -0.010 0.000 0.627 1032 A CB -0.734 18.105 19.000 -0.269 0.000 0.818 1032 A HN 0.420 nan 8.150 nan 0.000 0.445 1033 L N -0.402 120.815 121.223 -0.010 0.000 2.005 1033 L HA -0.194 4.145 4.340 -0.002 0.000 0.207 1033 L C 2.658 179.554 176.870 0.043 0.000 1.072 1033 L CA 2.622 57.527 54.840 0.108 0.000 0.744 1033 L CB -0.675 41.452 42.059 0.114 0.000 0.895 1033 L HN 0.610 nan 8.230 nan 0.000 0.433 1034 Q N -1.583 118.186 119.800 -0.051 0.000 2.135 1034 Q HA -0.257 4.082 4.340 -0.002 0.000 0.204 1034 Q C 1.276 177.075 176.000 -0.335 0.000 0.981 1034 Q CA 2.052 57.717 55.803 -0.230 0.000 0.856 1034 Q CB -0.194 28.298 28.738 -0.409 0.000 0.902 1034 Q HN 0.662 nan 8.270 nan 0.000 0.425 1035 Y N 0.350 120.677 120.300 0.046 0.000 2.493 1035 Y HA 0.185 4.733 4.550 -0.002 0.000 0.275 1035 Y C -0.149 175.800 175.900 0.082 0.000 1.183 1035 Y CA -0.149 57.986 58.100 0.057 0.000 1.258 1035 Y CB 0.753 39.245 38.460 0.054 0.000 1.108 1035 Y HN -0.046 nan 8.280 nan 0.000 0.521 1036 K N -0.835 119.675 120.400 0.184 0.000 3.125 1036 K HA -0.146 4.173 4.320 -0.002 0.000 0.268 1036 K C -0.781 175.948 176.600 0.215 0.000 1.078 1036 K CA 0.324 56.718 56.287 0.178 0.000 0.775 1036 K CB -2.530 30.055 32.500 0.141 0.000 1.253 1036 K HN 0.135 nan 8.250 nan 0.000 0.486 1037 V N 1.171 121.231 119.914 0.243 0.000 2.439 1037 V HA 0.145 4.263 4.120 -0.002 0.000 0.282 1037 V C 0.752 177.020 176.094 0.289 0.000 1.039 1037 V CA -0.814 61.640 62.300 0.256 0.000 0.913 1037 V CB 1.349 33.310 31.823 0.231 0.000 0.983 1037 V HN 0.382 nan 8.190 nan 0.000 0.460 1038 H N 5.019 124.228 119.070 0.230 0.000 2.886 1038 H HA 0.350 4.904 4.556 -0.002 0.000 0.329 1038 H C -0.721 174.734 175.328 0.212 0.000 1.044 1038 H CA 0.165 56.339 56.048 0.209 0.000 1.456 1038 H CB 0.208 30.111 29.762 0.235 0.000 1.464 1038 H HN 0.659 nan 8.280 nan 0.000 0.573 1039 Y N 1.629 121.448 120.300 -0.802 0.000 2.524 1039 Y HA 0.502 5.051 4.550 -0.002 0.000 0.347 1039 Y C -1.564 174.060 175.900 -0.459 0.000 1.005 1039 Y CA -1.454 56.322 58.100 -0.542 0.000 1.025 1039 Y CB 1.437 39.707 38.460 -0.315 0.000 1.275 1039 Y HN 0.448 nan 8.280 nan 0.000 0.460 1040 D N 1.581 121.876 120.400 -0.175 0.000 2.505 1040 D HA 0.238 4.877 4.640 -0.002 0.000 0.249 1040 D C 0.203 176.540 176.300 0.062 0.000 1.082 1040 D CA -0.289 53.693 54.000 -0.031 0.000 0.839 1040 D CB 2.199 43.085 40.800 0.142 0.000 1.317 1040 D HN 0.819 nan 8.370 nan 0.000 0.497 1041 T N -2.201 112.408 114.554 0.093 0.000 3.105 1041 T HA 0.155 4.504 4.350 -0.002 0.000 0.253 1041 T C 0.599 175.352 174.700 0.088 0.000 1.047 1041 T CA -0.123 62.041 62.100 0.107 0.000 0.944 1041 T CB -0.108 68.842 68.868 0.137 0.000 1.016 1041 T HN 0.393 nan 8.240 nan 0.000 0.544 1042 T N -1.036 113.577 114.554 0.098 0.000 2.912 1042 T HA 0.600 4.949 4.350 -0.002 0.000 0.299 1042 T C 0.570 175.342 174.700 0.120 0.000 1.052 1042 T CA -0.874 61.294 62.100 0.114 0.000 0.996 1042 T CB 1.752 70.703 68.868 0.138 0.000 1.070 1042 T HN -0.083 nan 8.240 nan 0.000 0.465 1043 L N 2.401 123.704 121.223 0.134 0.000 2.046 1043 L HA 0.028 4.367 4.340 -0.002 0.000 0.208 1043 L C 2.303 179.342 176.870 0.282 0.000 1.077 1043 L CA 1.723 56.665 54.840 0.171 0.000 0.747 1043 L CB -0.833 41.356 42.059 0.217 0.000 0.896 1043 L HN 0.715 nan 8.230 nan 0.000 0.432 1044 N N -0.299 118.557 118.700 0.261 0.000 2.104 1044 N HA -0.155 4.583 4.740 -0.002 0.000 0.190 1044 N C 1.799 177.434 175.510 0.210 0.000 1.024 1044 N CA 1.434 54.642 53.050 0.263 0.000 0.853 1044 N CB -0.810 37.797 38.487 0.199 0.000 1.008 1044 N HN 0.455 nan 8.380 nan 0.000 0.424 1045 G N -0.216 108.688 108.800 0.173 0.000 2.418 1045 G HA2 -0.171 3.787 3.960 -0.002 0.000 0.217 1045 G HA3 -0.171 3.787 3.960 -0.002 0.000 0.217 1045 G C 1.622 176.589 174.900 0.112 0.000 1.158 1045 G CA 1.113 46.308 45.100 0.157 0.000 0.771 1045 G HN 0.444 nan 8.290 nan 0.000 0.545 1046 G N 0.595 109.457 108.800 0.103 0.000 2.480 1046 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.216 1046 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.216 1046 G C 1.604 176.425 174.900 -0.131 0.000 1.200 1046 G CA 0.903 46.009 45.100 0.009 0.000 0.782 1046 G HN 0.320 nan 8.290 nan 0.000 0.554 1047 F N 1.828 121.773 119.950 -0.008 0.000 2.126 1047 F HA 0.004 4.531 4.527 -0.002 0.000 0.299 1047 F C 3.060 178.793 175.800 -0.111 0.000 1.096 1047 F CA 1.068 59.046 58.000 -0.037 0.000 1.255 1047 F CB -0.426 38.572 39.000 -0.003 0.000 0.997 1047 F HN 0.251 nan 8.300 nan 0.000 0.479 1048 A N -0.783 122.000 122.820 -0.062 0.000 1.898 1048 A HA -0.164 4.155 4.320 -0.002 0.000 0.216 1048 A C 2.246 179.493 177.584 -0.562 0.000 1.181 1048 A CA 2.201 53.923 52.037 -0.524 0.000 0.620 1048 A CB -1.275 17.038 19.000 -1.144 0.000 0.819 1048 A HN 0.334 nan 8.150 nan 0.000 0.442 1049 T N 0.206 114.610 114.554 -0.249 0.000 2.788 1049 T HA 0.013 4.362 4.350 -0.002 0.000 0.268 1049 T C 2.200 176.798 174.700 -0.170 0.000 1.044 1049 T CA 1.400 63.455 62.100 -0.076 0.000 1.139 1049 T CB -0.392 68.447 68.868 -0.049 0.000 0.867 1049 T HN 0.588 nan 8.240 nan 0.000 0.454 1050 A N 1.855 124.557 122.820 -0.198 0.000 1.877 1050 A HA -0.092 4.227 4.320 -0.002 0.000 0.216 1050 A C 2.361 179.897 177.584 -0.081 0.000 1.186 1050 A CA 1.515 53.442 52.037 -0.184 0.000 0.620 1050 A CB -0.640 18.248 19.000 -0.186 0.000 0.822 1050 A HN 0.415 nan 8.150 nan 0.000 0.443 1051 M N -0.552 119.027 119.600 -0.036 0.000 2.080 1051 M HA -0.182 4.296 4.480 -0.002 0.000 0.260 1051 M C 2.560 178.842 176.300 -0.030 0.000 1.068 1051 M CA 1.613 56.913 55.300 0.000 0.000 1.109 1051 M CB -0.870 31.752 32.600 0.037 0.000 1.342 1051 M HN 0.481 nan 8.290 nan 0.000 0.405 1052 A N 0.656 123.445 122.820 -0.052 0.000 2.042 1052 A HA -0.159 4.160 4.320 -0.002 0.000 0.222 1052 A C 2.132 179.694 177.584 -0.038 0.000 1.167 1052 A CA 1.407 53.430 52.037 -0.023 0.000 0.649 1052 A CB -1.087 17.974 19.000 0.101 0.000 0.809 1052 A HN 0.499 nan 8.150 nan 0.000 0.457 1053 L N -1.031 120.166 121.223 -0.043 0.000 2.265 1053 L HA -0.168 4.171 4.340 -0.002 0.000 0.215 1053 L C 1.601 178.469 176.870 -0.003 0.000 1.117 1053 L CA 1.291 56.117 54.840 -0.022 0.000 0.782 1053 L CB -0.431 41.621 42.059 -0.011 0.000 0.914 1053 L HN 0.484 nan 8.230 nan 0.000 0.441 1054 N N -0.578 118.119 118.700 -0.006 0.000 2.322 1054 N HA 0.190 4.929 4.740 -0.002 0.000 0.194 1054 N C 0.169 175.674 175.510 -0.008 0.000 1.126 1054 N CA -0.203 52.849 53.050 0.003 0.000 0.845 1054 N CB 0.423 38.917 38.487 0.012 0.000 0.976 1054 N HN 0.213 nan 8.380 nan 0.000 0.475 1055 A N 0.186 122.992 122.820 -0.025 0.000 2.350 1055 A HA 0.496 4.815 4.320 -0.002 0.000 0.318 1055 A C -1.282 176.273 177.584 -0.049 0.000 1.132 1055 A CA -0.523 51.492 52.037 -0.037 0.000 0.811 1055 A CB 1.327 20.296 19.000 -0.053 0.000 1.313 1055 A HN 0.029 nan 8.150 nan 0.000 0.454 1056 D N 0.351 120.716 120.400 -0.058 0.000 2.440 1056 D HA 0.528 5.167 4.640 -0.002 0.000 0.252 1056 D C 0.711 176.954 176.300 -0.096 0.000 1.180 1056 D CA 0.238 54.192 54.000 -0.077 0.000 0.894 1056 D CB 1.393 42.154 40.800 -0.066 0.000 1.111 1056 D HN 0.501 nan 8.370 nan 0.000 0.544 1057 A N 2.461 125.205 122.820 -0.126 0.000 2.125 1057 A HA -0.086 4.232 4.320 -0.002 0.000 0.219 1057 A C 1.753 179.244 177.584 -0.155 0.000 1.156 1057 A CA 1.853 53.804 52.037 -0.142 0.000 0.671 1057 A CB -0.383 18.515 19.000 -0.171 0.000 0.794 1057 A HN 0.572 nan 8.150 nan 0.000 0.459 1058 T N -3.772 110.680 114.554 -0.170 0.000 3.040 1058 T HA 0.127 4.476 4.350 -0.002 0.000 0.250 1058 T C 1.445 176.065 174.700 -0.133 0.000 1.058 1058 T CA 0.703 62.696 62.100 -0.179 0.000 0.988 1058 T CB 0.074 68.806 68.868 -0.228 0.000 0.993 1058 T HN 0.548 nan 8.240 nan 0.000 0.519 1059 E N 2.041 122.180 120.200 -0.102 0.000 2.023 1059 E HA -0.149 4.200 4.350 -0.002 0.000 0.196 1059 E C 0.748 177.308 176.600 -0.066 0.000 1.003 1059 E CA 1.094 57.449 56.400 -0.074 0.000 0.809 1059 E CB 0.104 29.772 29.700 -0.053 0.000 0.755 1059 E HN 0.648 nan 8.360 nan 0.000 0.449 1060 K N -0.240 120.124 120.400 -0.059 0.000 2.395 1060 K HA 0.423 4.742 4.320 -0.002 0.000 0.247 1060 K C -0.970 175.602 176.600 -0.047 0.000 0.973 1060 K CA -0.686 55.573 56.287 -0.047 0.000 0.828 1060 K CB 2.304 34.789 32.500 -0.024 0.000 1.272 1060 K HN 0.010 nan 8.250 nan 0.000 0.439 1061 V N 0.423 120.318 119.914 -0.031 0.000 3.040 1061 V HA 0.764 4.882 4.120 -0.002 0.000 0.312 1061 V C -0.934 175.224 176.094 0.107 0.000 1.115 1061 V CA -0.814 61.495 62.300 0.014 0.000 0.998 1061 V CB 1.591 33.367 31.823 -0.078 0.000 1.042 1061 V HN 0.947 nan 8.190 nan 0.000 0.433 1062 I N 2.466 123.151 120.570 0.191 0.000 2.775 1062 I HA 0.607 4.776 4.170 -0.002 0.000 0.295 1062 I C -0.000 176.048 176.117 -0.115 0.000 1.287 1062 I CA -0.140 61.209 61.300 0.081 0.000 1.029 1062 I CB 2.589 40.545 38.000 -0.074 0.000 1.282 1062 I HN 1.161 nan 8.210 nan 0.000 0.426 1063 S N 4.832 120.303 115.700 -0.381 0.000 2.652 1063 S HA 0.311 4.780 4.470 -0.002 0.000 0.270 1063 S C 0.948 175.257 174.600 -0.484 0.000 1.243 1063 S CA -0.602 57.126 58.200 -0.786 0.000 0.999 1063 S CB 1.830 64.580 63.200 -0.751 0.000 0.973 1063 S HN 0.472 nan 8.310 nan 0.000 0.544 1064 V N 2.138 121.755 119.914 -0.494 0.000 2.407 1064 V HA -0.179 3.939 4.120 -0.002 0.000 0.248 1064 V C 2.730 178.503 176.094 -0.534 0.000 1.055 1064 V CA 2.111 64.101 62.300 -0.517 0.000 1.049 1064 V CB -1.381 30.170 31.823 -0.454 0.000 0.662 1064 V HN 0.851 nan 8.190 nan 0.000 0.455 1065 Q N 0.226 119.833 119.800 -0.321 0.000 2.061 1065 Q HA -0.223 4.115 4.340 -0.002 0.000 0.204 1065 Q C 2.227 178.180 176.000 -0.079 0.000 0.984 1065 Q CA 2.047 57.765 55.803 -0.142 0.000 0.846 1065 Q CB -0.334 28.339 28.738 -0.108 0.000 0.902 1065 Q HN 0.693 nan 8.270 nan 0.000 0.421 1066 E N -0.060 120.061 120.200 -0.132 0.000 2.051 1066 E HA -0.197 4.152 4.350 -0.002 0.000 0.192 1066 E C 1.984 178.552 176.600 -0.054 0.000 0.991 1066 E CA 1.335 57.688 56.400 -0.079 0.000 0.799 1066 E CB -0.146 29.495 29.700 -0.099 0.000 0.748 1066 E HN 0.345 nan 8.360 nan 0.000 0.449 1067 M N -0.240 119.266 119.600 -0.156 0.000 2.080 1067 M HA -0.217 4.261 4.480 -0.002 0.000 0.260 1067 M C 2.131 178.595 176.300 0.273 0.000 1.068 1067 M CA 1.672 56.902 55.300 -0.117 0.000 1.109 1067 M CB -0.450 31.924 32.600 -0.377 0.000 1.342 1067 M HN 0.255 nan 8.290 nan 0.000 0.405 1068 H N -0.842 118.249 119.070 0.035 0.000 2.387 1068 H HA -0.069 4.486 4.556 -0.002 0.000 0.299 1068 H C 2.193 177.549 175.328 0.046 0.000 1.090 1068 H CA 0.863 56.944 56.048 0.055 0.000 1.332 1068 H CB 0.062 29.832 29.762 0.013 0.000 1.386 1068 H HN 0.461 nan 8.280 nan 0.000 0.516 1069 A N 0.996 123.915 122.820 0.165 0.000 1.933 1069 A HA -0.180 4.138 4.320 -0.002 0.000 0.218 1069 A C 2.075 179.709 177.584 0.084 0.000 1.175 1069 A CA 1.148 53.238 52.037 0.090 0.000 0.628 1069 A CB -0.393 18.641 19.000 0.057 0.000 0.814 1069 A HN 0.438 nan 8.150 nan 0.000 0.444 1070 Q N -0.520 119.350 119.800 0.116 0.000 2.561 1070 Q HA 0.018 4.357 4.340 -0.002 0.000 0.217 1070 Q C -0.278 175.782 176.000 0.099 0.000 0.980 1070 Q CA 0.200 56.075 55.803 0.120 0.000 0.927 1070 Q CB -0.236 28.618 28.738 0.193 0.000 0.980 1070 Q HN 0.618 nan 8.270 nan 0.000 0.525 1071 I N 1.600 122.220 120.570 0.083 0.000 2.342 1071 I HA 0.109 4.278 4.170 -0.002 0.000 0.291 1071 I C 0.275 176.389 176.117 -0.004 0.000 1.010 1071 I CA -0.439 60.873 61.300 0.020 0.000 1.308 1071 I CB 1.103 39.108 38.000 0.009 0.000 1.400 1071 I HN -0.153 nan 8.210 nan 0.000 0.488 1072 K N 0.000 120.387 120.400 -0.021 0.000 2.780 1072 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 1072 K CA 0.000 56.275 56.287 -0.020 0.000 0.838 1072 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 1072 K HN 0.000 nan 8.250 nan 0.000 0.543