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 1kee_1_C DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVILVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPXXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.252 176.300 -0.079 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.022 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 P HA 0.209 nan 4.420 nan 0.000 0.323 2 P C -1.073 175.891 177.300 -0.560 0.000 1.319 2 P CA -0.183 62.742 63.100 -0.291 0.000 0.741 2 P CB -0.076 31.538 31.700 -0.143 0.000 1.545 3 K N 0.160 120.133 120.400 -0.712 0.000 2.350 3 K HA 0.200 4.520 4.320 0.001 0.000 0.279 3 K C 0.129 176.650 176.600 -0.132 0.000 1.027 3 K CA -0.345 55.637 56.287 -0.509 0.000 0.969 3 K CB 0.489 32.839 32.500 -0.251 0.000 0.954 3 K HN 0.156 nan 8.250 nan 0.000 0.474 4 R N 1.564 122.049 120.500 -0.025 0.000 2.583 4 R HA -0.070 4.270 4.340 0.001 0.000 0.274 4 R C 0.549 176.904 176.300 0.092 0.000 0.998 4 R CA 0.554 56.677 56.100 0.038 0.000 1.081 4 R CB 0.472 30.805 30.300 0.055 0.000 0.940 4 R HN 0.812 nan 8.270 nan 0.000 0.413 5 T N 0.480 115.060 114.554 0.044 0.000 3.015 5 T HA -0.046 4.305 4.350 0.001 0.000 0.250 5 T C 0.736 175.463 174.700 0.046 0.000 1.057 5 T CA 0.507 62.626 62.100 0.032 0.000 1.066 5 T CB 0.129 68.998 68.868 0.002 0.000 0.959 5 T HN 0.710 nan 8.240 nan 0.000 0.488 6 D N 0.515 120.946 120.400 0.050 0.000 2.349 6 D HA 0.069 4.709 4.640 0.001 0.000 0.224 6 D C 0.355 176.697 176.300 0.070 0.000 1.029 6 D CA 0.128 54.157 54.000 0.048 0.000 0.879 6 D CB -0.049 40.771 40.800 0.034 0.000 0.906 6 D HN 0.396 nan 8.370 nan 0.000 0.528 7 I N -0.212 120.426 120.570 0.113 0.000 2.466 7 I HA 0.266 4.436 4.170 0.001 0.000 0.289 7 I C 0.756 177.021 176.117 0.247 0.000 1.026 7 I CA -0.669 60.723 61.300 0.152 0.000 1.078 7 I CB 2.399 40.479 38.000 0.133 0.000 1.249 7 I HN -0.350 nan 8.210 nan 0.000 0.429 8 K N 2.218 122.735 120.400 0.195 0.000 2.474 8 K HA 0.185 4.506 4.320 0.001 0.000 0.202 8 K C 0.087 176.824 176.600 0.227 0.000 1.248 8 K CA 0.156 56.554 56.287 0.184 0.000 0.946 8 K CB 0.905 33.452 32.500 0.079 0.000 1.102 8 K HN 0.651 nan 8.250 nan 0.000 0.541 9 S N 0.643 116.448 115.700 0.174 0.000 2.532 9 S HA 0.658 5.129 4.470 0.001 0.000 0.299 9 S C -0.646 174.010 174.600 0.094 0.000 1.105 9 S CA -0.882 57.397 58.200 0.131 0.000 1.018 9 S CB 1.249 64.503 63.200 0.089 0.000 1.021 9 S HN 0.060 nan 8.310 nan 0.000 0.483 10 I N 2.857 123.471 120.570 0.073 0.000 2.545 10 I HA 0.480 4.651 4.170 0.001 0.000 0.292 10 I C -1.060 175.075 176.117 0.031 0.000 1.040 10 I CA -0.900 60.415 61.300 0.025 0.000 1.068 10 I CB 2.060 40.039 38.000 -0.035 0.000 1.251 10 I HN 0.680 nan 8.210 nan 0.000 0.424 11 L N 7.548 128.784 121.223 0.021 0.000 2.265 11 L HA 0.612 4.953 4.340 0.001 0.000 0.289 11 L C -0.900 175.978 176.870 0.014 0.000 1.033 11 L CA 0.108 54.962 54.840 0.023 0.000 0.814 11 L CB 0.587 42.652 42.059 0.010 0.000 1.203 11 L HN 0.420 nan 8.230 nan 0.000 0.423 12 I N 6.237 126.821 120.570 0.022 0.000 2.321 12 I HA 0.252 4.423 4.170 0.001 0.000 0.291 12 I C -0.383 175.743 176.117 0.015 0.000 0.998 12 I CA -0.578 60.731 61.300 0.015 0.000 1.227 12 I CB 1.235 39.245 38.000 0.016 0.000 1.368 12 I HN 0.491 nan 8.210 nan 0.000 0.466 13 L N 6.430 127.654 121.223 0.003 0.000 2.315 13 L HA 0.330 4.671 4.340 0.001 0.000 0.283 13 L C 1.053 177.917 176.870 -0.010 0.000 1.089 13 L CA -0.201 54.636 54.840 -0.005 0.000 0.833 13 L CB 0.468 42.517 42.059 -0.016 0.000 1.170 13 L HN 0.701 nan 8.230 nan 0.000 0.442 14 G N 1.860 110.661 108.800 0.001 0.000 2.621 14 G HA2 0.381 4.341 3.960 0.001 0.000 0.271 14 G HA3 0.381 4.341 3.960 0.001 0.000 0.271 14 G C 0.722 175.605 174.900 -0.028 0.000 1.236 14 G CA 0.169 45.273 45.100 0.007 0.000 0.958 14 G HN 0.759 nan 8.290 nan 0.000 0.512 15 A N -1.331 121.479 122.820 -0.017 0.000 2.147 15 A HA 0.576 4.897 4.320 0.001 0.000 0.211 15 A C 1.544 179.113 177.584 -0.026 0.000 1.160 15 A CA 1.442 53.435 52.037 -0.072 0.000 0.781 15 A CB -0.781 18.172 19.000 -0.079 0.000 0.842 15 A HN 2.527 nan 8.150 nan 0.000 0.475 16 G N -0.511 108.292 108.800 0.006 0.000 2.660 16 G HA2 -0.093 3.868 3.960 0.001 0.000 0.215 16 G HA3 -0.093 3.868 3.960 0.001 0.000 0.215 16 G C -2.936 171.973 174.900 0.015 0.000 1.345 16 G CA -0.434 44.668 45.100 0.003 0.000 0.877 16 G HN 0.371 nan 8.290 nan 0.000 0.549 17 P HA 0.349 nan 4.420 nan 0.000 0.267 17 P C 0.357 177.663 177.300 0.011 0.000 1.200 17 P CA -0.172 62.925 63.100 -0.005 0.000 0.772 17 P CB 0.304 31.988 31.700 -0.026 0.000 0.855 18 I N 2.467 123.044 120.570 0.011 0.000 2.556 18 I HA 0.123 4.294 4.170 0.001 0.000 0.284 18 I C 0.920 177.037 176.117 -0.000 0.000 1.114 18 I CA -0.062 61.252 61.300 0.023 0.000 1.418 18 I CB 0.069 38.079 38.000 0.016 0.000 1.394 18 I HN 0.214 nan 8.210 nan 0.000 0.552 19 V N 4.587 124.503 119.914 0.004 0.000 3.181 19 V HA 0.561 4.682 4.120 0.001 0.000 0.308 19 V C -0.118 175.958 176.094 -0.031 0.000 1.214 19 V CA -1.200 61.085 62.300 -0.025 0.000 1.053 19 V CB 1.978 33.779 31.823 -0.036 0.000 1.069 19 V HN 0.443 nan 8.190 nan 0.000 0.441 20 I N 2.320 122.849 120.570 -0.068 0.000 2.668 20 I HA 0.441 4.612 4.170 0.001 0.000 0.285 20 I C 1.524 177.592 176.117 -0.081 0.000 1.168 20 I CA 2.001 63.250 61.300 -0.085 0.000 1.424 20 I CB 0.594 38.511 38.000 -0.140 0.000 1.377 20 I HN 1.275 nan 8.210 nan 0.000 0.560 21 G N 4.735 113.498 108.800 -0.062 0.000 2.258 21 G HA2 -0.270 3.690 3.960 0.001 0.000 0.233 21 G HA3 -0.270 3.690 3.960 0.001 0.000 0.233 21 G C 0.296 175.233 174.900 0.063 0.000 1.006 21 G CA -0.020 45.052 45.100 -0.046 0.000 0.620 21 G HN 0.582 nan 8.290 nan 0.000 0.511 22 Q N 0.305 120.165 119.800 0.100 0.000 3.021 22 Q HA 0.677 5.017 4.340 0.001 0.000 0.234 22 Q C 0.138 176.270 176.000 0.221 0.000 0.930 22 Q CA 0.375 56.340 55.803 0.269 0.000 0.714 22 Q CB 0.795 29.634 28.738 0.169 0.000 1.325 22 Q HN 0.865 nan 8.270 nan 0.000 0.473 23 A N 0.280 123.192 122.820 0.153 0.000 3.444 23 A HA 0.369 4.689 4.320 0.001 0.000 0.189 23 A C 1.123 178.728 177.584 0.035 0.000 1.542 23 A CA -0.224 51.850 52.037 0.061 0.000 0.867 23 A CB -0.279 18.716 19.000 -0.009 0.000 1.712 23 A HN 0.836 nan 8.150 nan 0.000 0.556 24 C N 1.023 120.318 119.300 -0.007 0.000 2.403 24 C HA -0.113 4.347 4.460 0.001 0.000 0.282 24 C C 2.499 177.469 174.990 -0.033 0.000 1.297 24 C CA 1.082 60.104 59.018 0.006 0.000 1.785 24 C CB -1.521 26.224 27.740 0.008 0.000 1.963 24 C HN 0.866 nan 8.230 nan 0.000 0.507 25 E N 1.529 121.609 120.200 -0.201 0.000 2.233 25 E HA -0.246 4.105 4.350 0.001 0.000 0.199 25 E C 1.448 177.862 176.600 -0.310 0.000 1.004 25 E CA 1.681 57.899 56.400 -0.303 0.000 0.819 25 E CB -0.750 28.628 29.700 -0.536 0.000 0.738 25 E HN 0.650 nan 8.360 nan 0.000 0.478 26 F N 1.558 121.571 119.950 0.105 0.000 2.456 26 F HA 0.053 4.580 4.527 0.001 0.000 0.298 26 F C 2.110 177.951 175.800 0.068 0.000 1.104 26 F CA 0.996 59.041 58.000 0.075 0.000 1.435 26 F CB -0.353 38.674 39.000 0.045 0.000 1.078 26 F HN 0.065 nan 8.300 nan 0.000 0.546 27 D N -1.071 119.445 120.400 0.194 0.000 2.213 27 D HA -0.198 4.443 4.640 0.001 0.000 0.205 27 D C 2.134 178.517 176.300 0.137 0.000 0.961 27 D CA 0.726 54.817 54.000 0.151 0.000 0.853 27 D CB -0.283 40.599 40.800 0.137 0.000 0.967 27 D HN 0.259 nan 8.370 nan 0.000 0.496 28 Y N 0.913 121.225 120.300 0.020 0.000 2.145 28 Y HA -0.126 4.425 4.550 0.001 0.000 0.286 28 Y C 2.255 178.165 175.900 0.017 0.000 1.145 28 Y CA 2.002 60.101 58.100 -0.001 0.000 1.148 28 Y CB -0.610 37.833 38.460 -0.029 0.000 0.981 28 Y HN -0.082 nan 8.280 nan 0.000 0.507 29 S N 0.208 115.841 115.700 -0.111 0.000 2.348 29 S HA -0.118 4.353 4.470 0.001 0.000 0.221 29 S C 2.236 176.791 174.600 -0.074 0.000 1.033 29 S CA 1.289 59.397 58.200 -0.153 0.000 1.010 29 S CB -1.207 62.044 63.200 0.085 0.000 0.891 29 S HN 0.724 nan 8.310 nan 0.000 0.442 30 G N 1.102 109.923 108.800 0.036 0.000 2.432 30 G HA2 -0.033 3.928 3.960 0.001 0.000 0.219 30 G HA3 -0.033 3.928 3.960 0.001 0.000 0.219 30 G C 1.487 176.385 174.900 -0.004 0.000 1.135 30 G CA 0.915 46.035 45.100 0.035 0.000 0.767 30 G HN 0.567 nan 8.290 nan 0.000 0.550 31 A N 0.115 122.922 122.820 -0.021 0.000 1.929 31 A HA 0.002 4.323 4.320 0.001 0.000 0.216 31 A C 2.295 179.832 177.584 -0.078 0.000 1.176 31 A CA 1.674 53.694 52.037 -0.028 0.000 0.628 31 A CB -0.315 18.682 19.000 -0.006 0.000 0.816 31 A HN 0.423 nan 8.150 nan 0.000 0.444 32 Q N -0.677 119.023 119.800 -0.165 0.000 2.046 32 Q HA -0.121 4.219 4.340 0.001 0.000 0.200 32 Q C 2.471 178.412 176.000 -0.098 0.000 0.975 32 Q CA 1.331 57.024 55.803 -0.183 0.000 0.836 32 Q CB -0.358 28.183 28.738 -0.329 0.000 0.896 32 Q HN 0.678 nan 8.270 nan 0.000 0.428 33 A N 0.286 123.061 122.820 -0.075 0.000 1.908 33 A HA -0.217 4.104 4.320 0.001 0.000 0.218 33 A C 2.351 179.924 177.584 -0.018 0.000 1.181 33 A CA 1.431 53.447 52.037 -0.035 0.000 0.627 33 A CB -0.983 18.006 19.000 -0.018 0.000 0.818 33 A HN 0.493 nan 8.150 nan 0.000 0.445 34 C N -0.887 118.405 119.300 -0.012 0.000 2.432 34 C HA -0.070 4.390 4.460 0.001 0.000 0.277 34 C C 2.716 177.713 174.990 0.010 0.000 1.249 34 C CA 1.370 60.392 59.018 0.006 0.000 1.725 34 C CB -0.955 26.791 27.740 0.010 0.000 2.028 34 C HN 0.738 nan 8.230 nan 0.000 0.477 35 K N 1.043 121.439 120.400 -0.007 0.000 2.032 35 K HA -0.158 4.162 4.320 0.001 0.000 0.209 35 K C 2.117 178.721 176.600 0.007 0.000 1.048 35 K CA 1.712 57.996 56.287 -0.005 0.000 0.927 35 K CB -0.323 32.160 32.500 -0.028 0.000 0.712 35 K HN 0.411 nan 8.250 nan 0.000 0.441 36 A N 1.217 124.035 122.820 -0.004 0.000 1.902 36 A HA -0.123 4.198 4.320 0.001 0.000 0.217 36 A C 2.116 179.733 177.584 0.054 0.000 1.181 36 A CA 1.365 53.404 52.037 0.004 0.000 0.623 36 A CB -0.554 18.435 19.000 -0.018 0.000 0.818 36 A HN 0.324 nan 8.150 nan 0.000 0.443 37 L N -1.111 120.148 121.223 0.061 0.000 2.109 37 L HA -0.106 4.234 4.340 0.001 0.000 0.207 37 L C 2.774 179.780 176.870 0.226 0.000 1.086 37 L CA 1.537 56.452 54.840 0.126 0.000 0.760 37 L CB -0.505 41.567 42.059 0.023 0.000 0.910 37 L HN 0.518 nan 8.230 nan 0.000 0.437 38 R N 0.886 121.462 120.500 0.128 0.000 2.075 38 R HA -0.181 4.159 4.340 0.001 0.000 0.232 38 R C 2.001 178.354 176.300 0.088 0.000 1.126 38 R CA 1.557 57.719 56.100 0.103 0.000 0.963 38 R CB -0.171 30.164 30.300 0.059 0.000 0.858 38 R HN 0.330 nan 8.270 nan 0.000 0.435 39 E N 0.235 120.478 120.200 0.072 0.000 2.097 39 E HA -0.183 4.167 4.350 0.001 0.000 0.196 39 E C 1.189 177.831 176.600 0.070 0.000 1.000 39 E CA 1.411 57.841 56.400 0.051 0.000 0.804 39 E CB 0.079 29.796 29.700 0.029 0.000 0.740 39 E HN 0.388 nan 8.360 nan 0.000 0.454 40 E N -0.499 119.786 120.200 0.143 0.000 2.463 40 E HA 0.037 4.388 4.350 0.001 0.000 0.191 40 E C 0.690 177.307 176.600 0.028 0.000 1.083 40 E CA 0.561 57.076 56.400 0.191 0.000 0.872 40 E CB 0.320 30.276 29.700 0.428 0.000 0.966 40 E HN 0.372 nan 8.360 nan 0.000 0.491 41 G N 1.388 110.197 108.800 0.014 0.000 2.295 41 G HA2 -0.309 3.652 3.960 0.001 0.000 0.287 41 G HA3 -0.309 3.652 3.960 0.001 0.000 0.287 41 G C -0.348 174.431 174.900 -0.201 0.000 1.055 41 G CA 0.319 45.365 45.100 -0.090 0.000 0.922 41 G HN 0.244 nan 8.290 nan 0.000 0.503 42 Y N -1.165 119.160 120.300 0.041 0.000 2.488 42 Y HA 0.638 5.189 4.550 0.001 0.000 0.325 42 Y C 1.056 176.973 175.900 0.030 0.000 1.204 42 Y CA -1.070 57.053 58.100 0.038 0.000 1.229 42 Y CB 1.039 39.527 38.460 0.046 0.000 1.274 42 Y HN 0.144 nan 8.280 nan 0.000 0.493 43 R N 1.455 122.083 120.500 0.212 0.000 2.221 43 R HA 0.499 4.839 4.340 0.001 0.000 0.327 43 R C -1.716 174.656 176.300 0.120 0.000 1.033 43 R CA -0.423 55.752 56.100 0.124 0.000 0.887 43 R CB 0.411 30.765 30.300 0.090 0.000 1.057 43 R HN 0.514 nan 8.270 nan 0.000 0.455 44 V N 6.777 126.745 119.914 0.089 0.000 2.350 44 V HA 0.391 4.512 4.120 0.001 0.000 0.276 44 V C 0.116 176.243 176.094 0.056 0.000 1.028 44 V CA -0.652 61.690 62.300 0.069 0.000 0.860 44 V CB 1.204 33.063 31.823 0.059 0.000 0.990 44 V HN 0.624 nan 8.190 nan 0.000 0.453 45 I N 6.701 127.309 120.570 0.064 0.000 2.406 45 I HA 0.667 4.838 4.170 0.001 0.000 0.290 45 I C -0.674 175.494 176.117 0.084 0.000 0.999 45 I CA -0.666 60.688 61.300 0.089 0.000 1.124 45 I CB 1.748 39.811 38.000 0.106 0.000 1.289 45 I HN 0.601 nan 8.210 nan 0.000 0.441 46 L N 5.929 127.215 121.223 0.105 0.000 2.409 46 L HA 0.872 5.213 4.340 0.001 0.000 0.262 46 L C -1.345 175.605 176.870 0.134 0.000 0.992 46 L CA -0.856 54.037 54.840 0.088 0.000 0.817 46 L CB 1.907 43.998 42.059 0.053 0.000 1.350 46 L HN 0.366 nan 8.230 nan 0.000 0.411 47 V N 3.093 123.062 119.914 0.093 0.000 2.540 47 V HA 0.773 4.894 4.120 0.001 0.000 0.302 47 V C -1.394 174.732 176.094 0.053 0.000 1.035 47 V CA 0.033 62.389 62.300 0.094 0.000 0.873 47 V CB 1.535 33.385 31.823 0.044 0.000 0.992 47 V HN 1.034 nan 8.190 nan 0.000 0.428 48 N N 3.213 121.944 118.700 0.052 0.000 2.578 48 N HA 0.210 4.951 4.740 0.001 0.000 0.282 48 N C 0.408 175.933 175.510 0.026 0.000 1.119 48 N CA 0.277 53.347 53.050 0.034 0.000 0.948 48 N CB 2.310 40.822 38.487 0.040 0.000 1.546 48 N HN 0.672 nan 8.380 nan 0.000 0.525 49 S N 1.653 117.361 115.700 0.012 0.000 2.515 49 S HA -0.010 4.461 4.470 0.001 0.000 0.231 49 S C 0.705 175.305 174.600 -0.000 0.000 0.987 49 S CA 0.142 58.343 58.200 0.000 0.000 0.936 49 S CB -0.214 62.977 63.200 -0.015 0.000 0.766 49 S HN 0.559 nan 8.310 nan 0.000 0.528 50 N N 3.106 121.810 118.700 0.006 0.000 2.422 50 N HA 0.284 5.025 4.740 0.001 0.000 0.264 50 N C -1.852 173.659 175.510 0.002 0.000 1.063 50 N CA -2.337 50.713 53.050 0.000 0.000 0.959 50 N CB 1.544 40.037 38.487 0.010 0.000 1.087 50 N HN 0.022 nan 8.380 nan 0.000 0.483 51 P HA 0.076 nan 4.420 nan 0.000 0.235 51 P C 0.108 177.330 177.300 -0.129 0.000 1.177 51 P CA 0.398 63.487 63.100 -0.019 0.000 0.785 51 P CB 0.207 31.940 31.700 0.055 0.000 0.885 52 A N 0.470 123.183 122.820 -0.179 0.000 2.416 52 A HA 0.274 4.594 4.320 0.001 0.000 0.252 52 A C 0.569 178.090 177.584 -0.105 0.000 1.353 52 A CA 0.125 51.942 52.037 -0.366 0.000 0.996 52 A CB -1.422 17.404 19.000 -0.289 0.000 0.961 52 A HN 0.276 nan 8.150 nan 0.000 0.523 53 T N -3.107 111.476 114.554 0.048 0.000 2.829 53 T HA 0.520 4.871 4.350 0.001 0.000 0.280 53 T C 0.899 175.784 174.700 0.309 0.000 0.999 53 T CA -0.720 61.490 62.100 0.183 0.000 0.983 53 T CB 1.025 69.960 68.868 0.112 0.000 0.968 53 T HN -0.047 nan 8.240 nan 0.000 0.446 54 I N 2.579 123.305 120.570 0.259 0.000 2.286 54 I HA -0.139 4.032 4.170 0.001 0.000 0.248 54 I C 2.518 178.719 176.117 0.140 0.000 1.115 54 I CA 1.542 62.946 61.300 0.173 0.000 1.392 54 I CB -1.043 37.001 38.000 0.074 0.000 1.065 54 I HN 0.884 nan 8.210 nan 0.000 0.418 55 M N 0.463 120.131 119.600 0.113 0.000 2.446 55 M HA -0.136 4.344 4.480 0.001 0.000 0.263 55 M C 1.472 177.815 176.300 0.071 0.000 1.066 55 M CA 2.042 57.389 55.300 0.077 0.000 1.087 55 M CB -0.786 31.853 32.600 0.065 0.000 1.406 55 M HN 0.290 nan 8.290 nan 0.000 0.459 56 T N -2.909 111.702 114.554 0.095 0.000 3.145 56 T HA 0.203 4.554 4.350 0.001 0.000 0.255 56 T C -0.123 174.628 174.700 0.084 0.000 1.039 56 T CA -0.588 61.551 62.100 0.066 0.000 0.928 56 T CB -0.361 68.538 68.868 0.051 0.000 1.029 56 T HN 0.224 nan 8.240 nan 0.000 0.554 57 D N 3.647 124.122 120.400 0.125 0.000 2.424 57 D HA 0.187 4.828 4.640 0.001 0.000 0.244 57 D C -1.256 175.085 176.300 0.068 0.000 1.134 57 D CA -2.066 52.020 54.000 0.144 0.000 0.881 57 D CB 1.671 42.566 40.800 0.159 0.000 1.191 57 D HN 0.080 nan 8.370 nan 0.000 0.445 58 P HA -0.172 nan 4.420 nan 0.000 0.216 58 P C 1.029 178.336 177.300 0.012 0.000 1.150 58 P CA 1.174 64.282 63.100 0.014 0.000 0.837 58 P CB 0.135 31.870 31.700 0.059 0.000 0.786 59 E N -0.954 119.263 120.200 0.027 0.000 2.478 59 E HA -0.072 4.279 4.350 0.001 0.000 0.198 59 E C 1.308 177.912 176.600 0.008 0.000 1.046 59 E CA 0.729 57.136 56.400 0.012 0.000 0.870 59 E CB -0.542 29.160 29.700 0.002 0.000 0.818 59 E HN 0.158 nan 8.360 nan 0.000 0.527 60 M N 0.753 120.362 119.600 0.014 0.000 2.541 60 M HA 0.308 4.789 4.480 0.001 0.000 0.252 60 M C 0.834 177.142 176.300 0.013 0.000 1.125 60 M CA 0.152 55.461 55.300 0.015 0.000 1.091 60 M CB 0.054 32.669 32.600 0.025 0.000 1.420 60 M HN 0.207 nan 8.290 nan 0.000 0.486 61 A N -0.858 121.965 122.820 0.005 0.000 2.557 61 A HA 0.505 4.825 4.320 0.001 0.000 0.292 61 A C -0.056 177.523 177.584 -0.008 0.000 1.139 61 A CA -0.625 51.414 52.037 0.005 0.000 0.665 61 A CB 0.530 19.533 19.000 0.005 0.000 1.285 61 A HN 0.147 nan 8.150 nan 0.000 0.433 62 D N 0.018 120.417 120.400 -0.001 0.000 2.144 62 D HA 0.254 4.895 4.640 0.001 0.000 0.207 62 D C 0.800 177.071 176.300 -0.048 0.000 0.970 62 D CA 1.808 55.802 54.000 -0.009 0.000 0.853 62 D CB 0.171 40.981 40.800 0.016 0.000 1.007 62 D HN 0.721 nan 8.370 nan 0.000 0.469 63 A N 1.163 123.950 122.820 -0.055 0.000 2.409 63 A HA 0.473 4.794 4.320 0.001 0.000 0.300 63 A C -0.544 176.901 177.584 -0.231 0.000 1.273 63 A CA -0.501 51.443 52.037 -0.156 0.000 0.774 63 A CB 0.891 19.866 19.000 -0.041 0.000 1.144 63 A HN -0.131 nan 8.150 nan 0.000 0.472 64 T N 2.584 116.935 114.554 -0.338 0.000 2.749 64 T HA 0.465 4.816 4.350 0.001 0.000 0.287 64 T C -1.059 173.369 174.700 -0.454 0.000 0.970 64 T CA 0.330 62.270 62.100 -0.268 0.000 0.980 64 T CB 0.035 68.807 68.868 -0.159 0.000 0.924 64 T HN 0.390 nan 8.240 nan 0.000 0.456 65 Y N 2.575 122.840 120.300 -0.058 0.000 2.402 65 Y HA 0.438 4.988 4.550 0.001 0.000 0.332 65 Y C 0.443 176.306 175.900 -0.062 0.000 0.960 65 Y CA -1.110 56.948 58.100 -0.069 0.000 1.228 65 Y CB 0.530 38.952 38.460 -0.063 0.000 1.120 65 Y HN 0.579 nan 8.280 nan 0.000 0.491 66 I N 4.853 125.448 120.570 0.041 0.000 2.206 66 I HA 0.157 4.327 4.170 0.001 0.000 0.292 66 I C -0.165 175.966 176.117 0.022 0.000 1.156 66 I CA 0.219 61.528 61.300 0.016 0.000 1.356 66 I CB -0.270 37.716 38.000 -0.023 0.000 1.494 66 I HN 0.523 nan 8.210 nan 0.000 0.601 67 E N 5.523 125.745 120.200 0.037 0.000 2.392 67 E HA 0.468 4.818 4.350 0.001 0.000 0.269 67 E C -2.585 174.004 176.600 -0.018 0.000 0.924 67 E CA -2.137 54.263 56.400 0.001 0.000 0.784 67 E CB 1.763 31.463 29.700 -0.001 0.000 1.292 67 E HN -0.026 nan 8.360 nan 0.000 0.447 68 P HA 0.109 nan 4.420 nan 0.000 0.263 68 P C 0.094 177.389 177.300 -0.008 0.000 1.195 68 P CA 0.395 63.473 63.100 -0.038 0.000 0.762 68 P CB 0.082 31.742 31.700 -0.066 0.000 0.799 69 I N 3.819 124.391 120.570 0.004 0.000 2.382 69 I HA 0.039 4.210 4.170 0.001 0.000 0.297 69 I C 1.100 177.240 176.117 0.039 0.000 1.172 69 I CA 0.281 61.587 61.300 0.010 0.000 1.825 69 I CB -0.993 37.005 38.000 -0.003 0.000 1.509 69 I HN 0.377 nan 8.210 nan 0.000 0.842 70 H N 5.248 124.278 119.070 -0.067 0.000 2.495 70 H HA 0.047 4.604 4.556 0.001 0.000 0.348 70 H C 0.640 175.906 175.328 -0.103 0.000 1.113 70 H CA -0.858 55.140 56.048 -0.083 0.000 1.195 70 H CB 1.476 31.138 29.762 -0.167 0.000 1.521 70 H HN 0.582 nan 8.280 nan 0.000 0.509 71 W N 5.296 126.384 121.300 -0.352 0.000 2.305 71 W HA -0.197 4.463 4.660 0.001 0.000 0.308 71 W C 0.506 177.045 176.519 0.034 0.000 1.226 71 W CA 1.351 58.605 57.345 -0.152 0.000 1.253 71 W CB -0.504 28.840 29.460 -0.193 0.000 1.146 71 W HN 0.655 nan 8.180 nan 0.000 0.507 72 E N 0.777 120.511 120.200 -0.777 0.000 2.110 72 E HA -0.166 4.185 4.350 0.001 0.000 0.193 72 E C 2.400 178.820 176.600 -0.300 0.000 0.988 72 E CA 1.825 57.780 56.400 -0.741 0.000 0.804 72 E CB -0.316 28.907 29.700 -0.796 0.000 0.745 72 E HN 0.156 nan 8.360 nan 0.000 0.458 73 V N 0.780 120.591 119.914 -0.172 0.000 2.379 73 V HA -0.181 3.939 4.120 0.001 0.000 0.245 73 V C 2.264 178.258 176.094 -0.167 0.000 1.044 73 V CA 1.086 63.288 62.300 -0.163 0.000 1.036 73 V CB -0.083 31.667 31.823 -0.122 0.000 0.664 73 V HN 0.126 nan 8.190 nan 0.000 0.453 74 V N 0.006 119.856 119.914 -0.106 0.000 2.515 74 V HA -0.239 3.882 4.120 0.001 0.000 0.250 74 V C 2.529 178.545 176.094 -0.131 0.000 1.058 74 V CA 2.114 64.349 62.300 -0.109 0.000 1.064 74 V CB -0.830 30.975 31.823 -0.029 0.000 0.675 74 V HN 0.475 nan 8.190 nan 0.000 0.461 75 R N 0.132 120.588 120.500 -0.074 0.000 2.091 75 R HA -0.177 4.163 4.340 0.001 0.000 0.238 75 R C 2.413 178.580 176.300 -0.223 0.000 1.136 75 R CA 1.305 57.357 56.100 -0.079 0.000 0.959 75 R CB -0.068 30.267 30.300 0.059 0.000 0.856 75 R HN 0.320 nan 8.270 nan 0.000 0.437 76 K N 0.635 120.909 120.400 -0.211 0.000 2.057 76 K HA -0.108 4.212 4.320 0.001 0.000 0.207 76 K C 2.066 178.481 176.600 -0.308 0.000 1.049 76 K CA 1.213 57.362 56.287 -0.229 0.000 0.931 76 K CB -0.381 32.000 32.500 -0.199 0.000 0.714 76 K HN 0.311 nan 8.250 nan 0.000 0.440 77 I N 0.761 121.108 120.570 -0.371 0.000 2.163 77 I HA -0.280 3.890 4.170 0.001 0.000 0.243 77 I C 2.340 178.239 176.117 -0.362 0.000 1.085 77 I CA 1.179 62.183 61.300 -0.494 0.000 1.347 77 I CB -0.297 37.327 38.000 -0.626 0.000 1.044 77 I HN 0.040 nan 8.210 nan 0.000 0.408 78 I N 0.469 120.824 120.570 -0.359 0.000 2.226 78 I HA -0.308 3.863 4.170 0.001 0.000 0.245 78 I C 2.691 178.439 176.117 -0.614 0.000 1.100 78 I CA 1.470 62.532 61.300 -0.398 0.000 1.374 78 I CB -0.382 37.374 38.000 -0.406 0.000 1.057 78 I HN 0.337 nan 8.210 nan 0.000 0.413 79 E N 1.497 121.208 120.200 -0.815 0.000 2.051 79 E HA -0.312 4.039 4.350 0.001 0.000 0.192 79 E C 2.241 178.669 176.600 -0.285 0.000 0.991 79 E CA 1.568 57.467 56.400 -0.836 0.000 0.799 79 E CB -0.031 29.368 29.700 -0.502 0.000 0.748 79 E HN 0.344 nan 8.360 nan 0.000 0.449 80 K N -0.139 120.131 120.400 -0.216 0.000 2.155 80 K HA -0.121 4.200 4.320 0.001 0.000 0.203 80 K C 1.704 178.276 176.600 -0.046 0.000 1.052 80 K CA 1.257 57.488 56.287 -0.094 0.000 0.948 80 K CB 0.208 32.657 32.500 -0.085 0.000 0.728 80 K HN 0.066 nan 8.250 nan 0.000 0.448 81 E N 0.245 120.398 120.200 -0.078 0.000 2.340 81 E HA 0.033 4.384 4.350 0.001 0.000 0.198 81 E C -0.219 176.381 176.600 0.001 0.000 0.961 81 E CA 0.038 56.435 56.400 -0.004 0.000 0.905 81 E CB 0.498 30.217 29.700 0.032 0.000 0.884 81 E HN 0.160 nan 8.360 nan 0.000 0.491 82 R N 0.778 121.255 120.500 -0.037 0.000 3.209 82 R HA -0.114 4.227 4.340 0.001 0.000 0.252 82 R C -2.427 173.899 176.300 0.044 0.000 0.958 82 R CA 0.295 56.412 56.100 0.028 0.000 0.651 82 R CB -2.689 27.660 30.300 0.081 0.000 1.142 82 R HN 0.257 nan 8.270 nan 0.000 0.441 83 P HA 0.096 nan 4.420 nan 0.000 0.271 83 P C 0.457 177.791 177.300 0.056 0.000 1.216 83 P CA -0.198 62.925 63.100 0.039 0.000 0.771 83 P CB 0.732 32.444 31.700 0.021 0.000 0.864 84 D N 1.032 121.468 120.400 0.060 0.000 2.144 84 D HA 0.015 4.655 4.640 0.001 0.000 0.200 84 D C 0.864 177.193 176.300 0.048 0.000 0.978 84 D CA 1.377 55.414 54.000 0.061 0.000 0.833 84 D CB 0.305 41.147 40.800 0.069 0.000 0.961 84 D HN 0.500 nan 8.370 nan 0.000 0.470 85 A N -0.447 122.395 122.820 0.036 0.000 2.569 85 A HA 0.599 4.919 4.320 0.001 0.000 0.290 85 A C -1.493 176.098 177.584 0.011 0.000 1.136 85 A CA -0.540 51.509 52.037 0.020 0.000 0.710 85 A CB 2.356 21.358 19.000 0.004 0.000 1.303 85 A HN -0.071 nan 8.150 nan 0.000 0.413 86 V N 1.027 120.945 119.914 0.006 0.000 2.525 86 V HA 0.592 4.713 4.120 0.001 0.000 0.299 86 V C -1.655 174.437 176.094 -0.004 0.000 1.034 86 V CA -0.582 61.720 62.300 0.003 0.000 0.863 86 V CB 1.372 33.200 31.823 0.008 0.000 0.999 86 V HN 0.958 nan 8.190 nan 0.000 0.423 87 L N 10.409 131.627 121.223 -0.008 0.000 2.257 87 L HA 0.757 5.097 4.340 0.001 0.000 0.290 87 L C -2.084 174.782 176.870 -0.005 0.000 1.044 87 L CA -1.218 53.616 54.840 -0.010 0.000 0.810 87 L CB 1.824 43.873 42.059 -0.018 0.000 1.193 87 L HN 0.507 nan 8.230 nan 0.000 0.425 88 P HA 0.160 nan 4.420 nan 0.000 0.302 88 P C 0.334 177.624 177.300 -0.017 0.000 1.455 88 P CA 0.057 63.151 63.100 -0.010 0.000 1.200 88 P CB 0.468 32.166 31.700 -0.003 0.000 1.586 89 T N -4.297 110.253 114.554 -0.006 0.000 3.122 89 T HA 0.238 4.589 4.350 0.001 0.000 0.250 89 T C 1.120 175.830 174.700 0.017 0.000 1.067 89 T CA 0.061 62.162 62.100 0.001 0.000 0.966 89 T CB -0.401 68.477 68.868 0.017 0.000 1.002 89 T HN -0.135 nan 8.240 nan 0.000 0.542 90 M N 1.254 120.860 119.600 0.010 0.000 2.484 90 M HA 0.400 4.880 4.480 0.001 0.000 0.307 90 M C 1.041 177.358 176.300 0.027 0.000 1.149 90 M CA -0.027 55.309 55.300 0.061 0.000 0.972 90 M CB 0.736 33.368 32.600 0.053 0.000 1.400 90 M HN 0.418 nan 8.290 nan 0.000 0.508 91 G N 0.025 108.736 108.800 -0.148 0.000 4.716 91 G HA2 0.490 4.451 3.960 0.001 0.000 0.282 91 G HA3 0.490 4.451 3.960 0.001 0.000 0.282 91 G C 0.720 175.203 174.900 -0.695 0.000 1.173 91 G CA 0.087 45.003 45.100 -0.307 0.000 0.913 91 G HN 0.569 nan 8.290 nan 0.000 0.566 92 G N 0.875 108.915 108.800 -1.266 0.000 2.574 92 G HA2 -0.383 3.578 3.960 0.001 0.000 0.282 92 G HA3 -0.383 3.578 3.960 0.001 0.000 0.282 92 G C 0.986 175.615 174.900 -0.452 0.000 1.257 92 G CA 0.871 45.241 45.100 -1.215 0.000 0.956 92 G HN 0.652 nan 8.290 nan 0.000 0.560 93 Q N -1.226 118.396 119.800 -0.296 0.000 2.172 93 Q HA 0.077 4.417 4.340 0.001 0.000 0.200 93 Q C 2.906 178.849 176.000 -0.095 0.000 0.964 93 Q CA 2.515 58.238 55.803 -0.134 0.000 0.855 93 Q CB -0.563 28.132 28.738 -0.072 0.000 0.918 93 Q HN 0.694 nan 8.270 nan 0.000 0.444 94 T N 0.149 114.626 114.554 -0.128 0.000 2.665 94 T HA -0.249 4.102 4.350 0.001 0.000 0.268 94 T C 1.650 176.308 174.700 -0.071 0.000 1.035 94 T CA 1.558 63.608 62.100 -0.084 0.000 1.151 94 T CB -0.546 68.267 68.868 -0.093 0.000 0.862 94 T HN 0.486 nan 8.240 nan 0.000 0.438 95 A N 0.844 123.598 122.820 -0.110 0.000 1.898 95 A HA 0.062 4.383 4.320 0.001 0.000 0.216 95 A C 2.335 179.895 177.584 -0.039 0.000 1.181 95 A CA 1.052 53.044 52.037 -0.075 0.000 0.620 95 A CB -0.742 18.200 19.000 -0.097 0.000 0.819 95 A HN 0.468 nan 8.150 nan 0.000 0.442 96 L N -0.352 120.848 121.223 -0.038 0.000 1.994 96 L HA -0.238 4.102 4.340 0.001 0.000 0.208 96 L C 2.455 179.371 176.870 0.076 0.000 1.071 96 L CA 1.549 56.402 54.840 0.022 0.000 0.745 96 L CB -0.850 41.222 42.059 0.022 0.000 0.892 96 L HN 0.366 nan 8.230 nan 0.000 0.431 97 N N -0.261 118.484 118.700 0.075 0.000 2.018 97 N HA -0.243 4.498 4.740 0.001 0.000 0.196 97 N C 1.900 177.404 175.510 -0.009 0.000 1.043 97 N CA 1.763 54.847 53.050 0.056 0.000 0.856 97 N CB -1.043 37.466 38.487 0.036 0.000 1.042 97 N HN 0.369 nan 8.380 nan 0.000 0.423 98 C N 0.945 120.239 119.300 -0.011 0.000 2.413 98 C HA -0.014 4.446 4.460 0.001 0.000 0.277 98 C C 2.734 177.719 174.990 -0.008 0.000 1.265 98 C CA 1.204 60.217 59.018 -0.009 0.000 1.752 98 C CB -1.335 26.404 27.740 -0.002 0.000 1.998 98 C HN 0.483 nan 8.230 nan 0.000 0.489 99 A N -0.448 122.370 122.820 -0.004 0.000 1.930 99 A HA -0.022 4.298 4.320 0.001 0.000 0.217 99 A C 1.933 179.505 177.584 -0.021 0.000 1.175 99 A CA 1.446 53.482 52.037 -0.003 0.000 0.627 99 A CB -0.597 18.407 19.000 0.006 0.000 0.815 99 A HN 0.533 nan 8.150 nan 0.000 0.443 100 L N -0.631 120.578 121.223 -0.024 0.000 2.291 100 L HA -0.043 4.298 4.340 0.001 0.000 0.214 100 L C 2.263 179.051 176.870 -0.136 0.000 1.120 100 L CA 1.889 56.693 54.840 -0.060 0.000 0.799 100 L CB -0.305 41.732 42.059 -0.036 0.000 0.925 100 L HN 0.547 nan 8.230 nan 0.000 0.446 101 E N -0.615 119.491 120.200 -0.157 0.000 2.122 101 E HA -0.092 4.259 4.350 0.001 0.000 0.190 101 E C 2.154 178.563 176.600 -0.318 0.000 0.977 101 E CA 0.830 57.066 56.400 -0.273 0.000 0.820 101 E CB -0.112 29.425 29.700 -0.271 0.000 0.770 101 E HN 0.388 nan 8.360 nan 0.000 0.462 102 L N 0.634 121.769 121.223 -0.147 0.000 2.083 102 L HA -0.139 4.201 4.340 0.001 0.000 0.209 102 L C 2.483 179.296 176.870 -0.096 0.000 1.083 102 L CA 1.644 56.442 54.840 -0.070 0.000 0.752 102 L CB -0.381 41.696 42.059 0.029 0.000 0.899 102 L HN 0.251 nan 8.230 nan 0.000 0.433 103 E N 0.506 120.650 120.200 -0.093 0.000 2.028 103 E HA -0.240 4.111 4.350 0.001 0.000 0.191 103 E C 2.327 178.856 176.600 -0.118 0.000 0.988 103 E CA 1.203 57.557 56.400 -0.076 0.000 0.799 103 E CB -0.190 29.478 29.700 -0.053 0.000 0.755 103 E HN 0.138 nan 8.360 nan 0.000 0.447 104 R N -0.413 119.984 120.500 -0.170 0.000 2.096 104 R HA -0.099 4.242 4.340 0.001 0.000 0.235 104 R C 1.932 178.088 176.300 -0.240 0.000 1.127 104 R CA 1.528 57.511 56.100 -0.197 0.000 0.968 104 R CB -0.039 30.117 30.300 -0.240 0.000 0.861 104 R HN 0.296 nan 8.270 nan 0.000 0.440 105 Q N -0.719 118.872 119.800 -0.349 0.000 2.515 105 Q HA 0.017 4.357 4.340 0.001 0.000 0.212 105 Q C 0.885 176.772 176.000 -0.190 0.000 0.970 105 Q CA 0.938 56.495 55.803 -0.410 0.000 0.941 105 Q CB 0.419 28.642 28.738 -0.859 0.000 0.998 105 Q HN 0.629 nan 8.270 nan 0.000 0.518 106 G N 0.258 108.987 108.800 -0.119 0.000 2.179 106 G HA2 -0.275 3.686 3.960 0.001 0.000 0.257 106 G HA3 -0.275 3.686 3.960 0.001 0.000 0.257 106 G C 0.846 175.758 174.900 0.019 0.000 1.010 106 G CA 0.482 45.554 45.100 -0.046 0.000 0.736 106 G HN 0.322 nan 8.290 nan 0.000 0.513 107 V N 0.134 120.083 119.914 0.059 0.000 2.591 107 V HA 0.006 4.127 4.120 0.001 0.000 0.249 107 V C 2.825 179.050 176.094 0.218 0.000 1.053 107 V CA 1.863 64.282 62.300 0.199 0.000 1.068 107 V CB -0.302 31.666 31.823 0.241 0.000 0.689 107 V HN 0.500 nan 8.190 nan 0.000 0.462 108 L N -0.041 121.249 121.223 0.110 0.000 2.093 108 L HA -0.153 4.188 4.340 0.001 0.000 0.208 108 L C 2.540 179.461 176.870 0.084 0.000 1.085 108 L CA 1.821 56.719 54.840 0.097 0.000 0.755 108 L CB -0.520 41.567 42.059 0.047 0.000 0.904 108 L HN 0.388 nan 8.230 nan 0.000 0.435 109 E N 0.559 120.785 120.200 0.044 0.000 2.047 109 E HA -0.267 4.084 4.350 0.001 0.000 0.191 109 E C 2.124 178.713 176.600 -0.018 0.000 0.987 109 E CA 1.094 57.500 56.400 0.009 0.000 0.799 109 E CB 0.060 29.752 29.700 -0.014 0.000 0.752 109 E HN 0.355 nan 8.360 nan 0.000 0.449 110 E N -0.858 119.322 120.200 -0.033 0.000 2.130 110 E HA -0.197 4.154 4.350 0.001 0.000 0.196 110 E C 0.629 176.961 176.600 -0.447 0.000 0.998 110 E CA 1.109 57.377 56.400 -0.221 0.000 0.806 110 E CB 0.020 29.613 29.700 -0.179 0.000 0.738 110 E HN 0.291 nan 8.360 nan 0.000 0.459 111 F N -0.839 119.119 119.950 0.012 0.000 2.698 111 F HA 0.317 4.845 4.527 0.001 0.000 0.304 111 F C 0.826 176.632 175.800 0.012 0.000 1.108 111 F CA 0.213 58.221 58.000 0.013 0.000 1.263 111 F CB 1.274 40.283 39.000 0.015 0.000 1.013 111 F HN -0.010 nan 8.300 nan 0.000 0.532 112 G N 1.938 110.802 108.800 0.106 0.000 2.386 112 G HA2 -0.219 3.742 3.960 0.001 0.000 0.295 112 G HA3 -0.219 3.742 3.960 0.001 0.000 0.295 112 G C -0.405 174.549 174.900 0.090 0.000 0.979 112 G CA 0.093 45.236 45.100 0.071 0.000 1.193 112 G HN 0.181 nan 8.290 nan 0.000 0.508 113 V N 0.917 120.889 119.914 0.097 0.000 2.398 113 V HA 0.560 4.680 4.120 0.001 0.000 0.286 113 V C 0.751 176.874 176.094 0.050 0.000 1.026 113 V CA -0.402 61.944 62.300 0.077 0.000 0.868 113 V CB 1.808 33.680 31.823 0.082 0.000 0.982 113 V HN 0.428 nan 8.190 nan 0.000 0.443 114 T N 6.271 120.847 114.554 0.038 0.000 2.806 114 T HA 0.410 4.760 4.350 0.001 0.000 0.290 114 T C -0.043 174.667 174.700 0.017 0.000 0.966 114 T CA -0.227 61.889 62.100 0.025 0.000 1.060 114 T CB 0.876 69.758 68.868 0.022 0.000 0.927 114 T HN 0.560 nan 8.240 nan 0.000 0.485 115 M N 5.258 124.867 119.600 0.014 0.000 2.108 115 M HA 0.416 4.897 4.480 0.001 0.000 0.347 115 M C -0.349 175.955 176.300 0.006 0.000 1.326 115 M CA -0.482 54.824 55.300 0.010 0.000 1.126 115 M CB -0.076 32.531 32.600 0.012 0.000 1.606 115 M HN 0.618 nan 8.290 nan 0.000 0.462 116 I N 0.173 120.743 120.570 -0.001 0.000 2.982 116 I HA 0.917 5.088 4.170 0.001 0.000 0.312 116 I C 0.818 176.935 176.117 -0.001 0.000 1.041 116 I CA -0.274 61.023 61.300 -0.004 0.000 1.053 116 I CB 1.689 39.677 38.000 -0.020 0.000 1.248 116 I HN 0.811 nan 8.210 nan 0.000 0.471 117 G N 2.627 111.430 108.800 0.004 0.000 3.329 117 G HA2 -0.105 3.855 3.960 0.001 0.000 0.220 117 G HA3 -0.105 3.855 3.960 0.001 0.000 0.220 117 G C 0.154 175.065 174.900 0.017 0.000 1.358 117 G CA 0.344 45.452 45.100 0.012 0.000 0.856 117 G HN 1.762 nan 8.290 nan 0.000 0.551 118 A N -0.267 122.562 122.820 0.015 0.000 2.547 118 A HA 0.868 5.188 4.320 0.001 0.000 0.297 118 A C 0.027 177.622 177.584 0.018 0.000 1.056 118 A CA 0.960 53.008 52.037 0.018 0.000 0.688 118 A CB 1.066 20.077 19.000 0.017 0.000 1.282 118 A HN 1.950 nan 8.150 nan 0.000 0.400 119 T N -0.373 114.193 114.554 0.020 0.000 2.882 119 T HA 0.545 4.895 4.350 0.001 0.000 0.287 119 T C 1.401 176.118 174.700 0.028 0.000 1.014 119 T CA 0.221 62.334 62.100 0.021 0.000 1.049 119 T CB 1.378 70.258 68.868 0.019 0.000 1.001 119 T HN 1.716 nan 8.240 nan 0.000 0.525 120 A N 1.167 124.003 122.820 0.027 0.000 1.940 120 A HA -0.095 4.226 4.320 0.001 0.000 0.219 120 A C 2.004 179.618 177.584 0.051 0.000 1.176 120 A CA 2.147 54.207 52.037 0.038 0.000 0.631 120 A CB -1.285 17.727 19.000 0.020 0.000 0.814 120 A HN 1.037 nan 8.150 nan 0.000 0.446 121 D N -0.467 119.956 120.400 0.038 0.000 2.097 121 D HA -0.008 4.633 4.640 0.001 0.000 0.197 121 D C 2.044 178.374 176.300 0.050 0.000 0.984 121 D CA 1.606 55.631 54.000 0.042 0.000 0.826 121 D CB -0.213 40.603 40.800 0.028 0.000 0.973 121 D HN 0.332 nan 8.370 nan 0.000 0.460 122 A N 0.023 122.866 122.820 0.039 0.000 1.972 122 A HA -0.108 4.212 4.320 0.001 0.000 0.219 122 A C 2.370 179.978 177.584 0.040 0.000 1.169 122 A CA 1.059 53.119 52.037 0.039 0.000 0.635 122 A CB -0.789 18.229 19.000 0.031 0.000 0.810 122 A HN 0.398 nan 8.150 nan 0.000 0.446 123 I N -0.470 120.125 120.570 0.043 0.000 2.226 123 I HA -0.241 3.930 4.170 0.001 0.000 0.245 123 I C 2.224 178.365 176.117 0.042 0.000 1.100 123 I CA 1.932 63.250 61.300 0.030 0.000 1.374 123 I CB -0.275 37.761 38.000 0.061 0.000 1.057 123 I HN 0.438 nan 8.210 nan 0.000 0.413 124 D N 0.723 121.204 120.400 0.136 0.000 2.183 124 D HA -0.205 4.435 4.640 0.001 0.000 0.203 124 D C 2.190 178.565 176.300 0.124 0.000 0.969 124 D CA 1.072 55.211 54.000 0.232 0.000 0.842 124 D CB 0.060 40.996 40.800 0.226 0.000 0.957 124 D HN 0.034 nan 8.370 nan 0.000 0.484 125 K N -0.625 119.828 120.400 0.090 0.000 2.209 125 K HA -0.065 4.256 4.320 0.001 0.000 0.204 125 K C 1.751 178.431 176.600 0.134 0.000 1.048 125 K CA 1.107 57.448 56.287 0.091 0.000 0.940 125 K CB -0.004 32.535 32.500 0.065 0.000 0.729 125 K HN 0.196 nan 8.250 nan 0.000 0.451 126 A N 0.324 123.188 122.820 0.074 0.000 1.956 126 A HA 0.009 4.329 4.320 0.001 0.000 0.212 126 A C 1.707 179.195 177.584 -0.160 0.000 1.188 126 A CA 0.544 52.618 52.037 0.063 0.000 0.675 126 A CB -0.033 18.959 19.000 -0.014 0.000 0.845 126 A HN 0.127 nan 8.150 nan 0.000 0.455 127 E N 0.820 120.823 120.200 -0.327 0.000 2.158 127 E HA -0.070 4.280 4.350 0.001 0.000 0.191 127 E C -0.022 176.283 176.600 -0.493 0.000 0.982 127 E CA 0.372 56.340 56.400 -0.722 0.000 0.823 127 E CB -0.211 28.473 29.700 -1.694 0.000 0.766 127 E HN 0.544 nan 8.360 nan 0.000 0.468 128 D N 1.099 121.434 120.400 -0.110 0.000 2.336 128 D HA 0.010 4.650 4.640 0.001 0.000 0.249 128 D C 0.870 177.226 176.300 0.092 0.000 1.213 128 D CA -0.074 54.006 54.000 0.133 0.000 0.870 128 D CB 0.502 41.442 40.800 0.233 0.000 1.076 128 D HN -0.085 nan 8.370 nan 0.000 0.483 129 R N 3.248 123.789 120.500 0.069 0.000 2.152 129 R HA -0.128 4.213 4.340 0.001 0.000 0.232 129 R C 2.038 178.410 176.300 0.120 0.000 1.117 129 R CA 0.540 56.685 56.100 0.076 0.000 0.981 129 R CB 0.028 30.342 30.300 0.024 0.000 0.870 129 R HN 0.473 nan 8.270 nan 0.000 0.451 130 R N 1.373 121.939 120.500 0.111 0.000 2.062 130 R HA -0.040 4.300 4.340 0.001 0.000 0.229 130 R C 2.155 178.508 176.300 0.088 0.000 1.128 130 R CA 1.044 57.201 56.100 0.095 0.000 0.960 130 R CB 0.007 30.372 30.300 0.108 0.000 0.855 130 R HN 0.124 nan 8.270 nan 0.000 0.432 131 R N -0.500 120.061 120.500 0.101 0.000 2.096 131 R HA -0.157 4.184 4.340 0.001 0.000 0.235 131 R C 2.212 178.546 176.300 0.057 0.000 1.127 131 R CA 1.609 57.753 56.100 0.073 0.000 0.968 131 R CB -0.458 29.895 30.300 0.090 0.000 0.861 131 R HN 0.221 nan 8.270 nan 0.000 0.440 132 F N 2.236 122.176 119.950 -0.017 0.000 2.095 132 F HA -0.263 4.264 4.527 0.001 0.000 0.298 132 F C 2.239 178.021 175.800 -0.031 0.000 1.104 132 F CA 1.788 59.766 58.000 -0.036 0.000 1.232 132 F CB -0.291 38.673 39.000 -0.059 0.000 0.987 132 F HN 0.011 nan 8.300 nan 0.000 0.475 133 D N -0.203 120.226 120.400 0.048 0.000 2.144 133 D HA -0.159 4.481 4.640 0.001 0.000 0.199 133 D C 2.303 178.535 176.300 -0.113 0.000 0.984 133 D CA 1.458 55.440 54.000 -0.030 0.000 0.834 133 D CB -0.037 40.793 40.800 0.050 0.000 0.955 133 D HN 0.265 nan 8.370 nan 0.000 0.465 134 V N 1.407 121.272 119.914 -0.082 0.000 2.343 134 V HA -0.229 3.891 4.120 0.001 0.000 0.247 134 V C 2.751 178.767 176.094 -0.130 0.000 1.051 134 V CA 1.688 63.942 62.300 -0.078 0.000 1.036 134 V CB -0.750 31.051 31.823 -0.037 0.000 0.654 134 V HN 0.260 nan 8.190 nan 0.000 0.451 135 A N -0.370 122.330 122.820 -0.200 0.000 1.892 135 A HA -0.270 4.050 4.320 0.001 0.000 0.218 135 A C 2.216 179.634 177.584 -0.276 0.000 1.188 135 A CA 2.257 54.145 52.037 -0.247 0.000 0.631 135 A CB -0.507 18.271 19.000 -0.369 0.000 0.822 135 A HN 0.415 nan 8.150 nan 0.000 0.447 136 M N -0.422 118.946 119.600 -0.386 0.000 2.117 136 M HA -0.125 4.356 4.480 0.001 0.000 0.262 136 M C 2.070 178.284 176.300 -0.143 0.000 1.065 136 M CA 1.802 56.931 55.300 -0.286 0.000 1.114 136 M CB -1.222 31.207 32.600 -0.284 0.000 1.361 136 M HN 0.518 nan 8.290 nan 0.000 0.408 137 K N 0.421 120.750 120.400 -0.118 0.000 2.057 137 K HA -0.196 4.124 4.320 0.001 0.000 0.207 137 K C 2.154 178.719 176.600 -0.058 0.000 1.049 137 K CA 1.379 57.626 56.287 -0.068 0.000 0.931 137 K CB -0.051 32.416 32.500 -0.054 0.000 0.714 137 K HN 0.216 nan 8.250 nan 0.000 0.440 138 K N 1.208 121.565 120.400 -0.070 0.000 2.001 138 K HA -0.155 4.165 4.320 0.001 0.000 0.214 138 K C 1.959 178.530 176.600 -0.049 0.000 1.050 138 K CA 1.952 58.205 56.287 -0.056 0.000 0.934 138 K CB -0.294 32.168 32.500 -0.063 0.000 0.718 138 K HN 0.384 nan 8.250 nan 0.000 0.443 139 I N -2.092 118.440 120.570 -0.063 0.000 3.605 139 I HA 0.163 4.333 4.170 0.001 0.000 0.301 139 I C 0.655 176.755 176.117 -0.030 0.000 1.267 139 I CA 0.738 62.012 61.300 -0.045 0.000 1.236 139 I CB -0.658 37.314 38.000 -0.046 0.000 1.010 139 I HN 0.394 nan 8.210 nan 0.000 0.491 140 G N 1.993 110.776 108.800 -0.029 0.000 2.168 140 G HA2 -0.264 3.696 3.960 0.001 0.000 0.257 140 G HA3 -0.264 3.696 3.960 0.001 0.000 0.257 140 G C 0.018 174.917 174.900 -0.002 0.000 0.997 140 G CA 0.327 45.419 45.100 -0.014 0.000 0.708 140 G HN 0.493 nan 8.290 nan 0.000 0.520 141 L N 0.093 121.312 121.223 -0.008 0.000 2.325 141 L HA 0.488 4.828 4.340 0.001 0.000 0.279 141 L C 0.815 177.700 176.870 0.025 0.000 1.054 141 L CA -0.721 54.133 54.840 0.023 0.000 0.804 141 L CB 1.466 43.547 42.059 0.036 0.000 1.200 141 L HN 0.304 nan 8.230 nan 0.000 0.436 142 E N 1.607 121.842 120.200 0.060 0.000 2.331 142 E HA 0.264 4.614 4.350 0.001 0.000 0.272 142 E C -0.702 175.939 176.600 0.069 0.000 1.036 142 E CA -0.375 56.061 56.400 0.061 0.000 0.864 142 E CB 1.159 30.909 29.700 0.083 0.000 1.035 142 E HN 0.650 nan 8.360 nan 0.000 0.408 143 T N 0.163 114.742 114.554 0.041 0.000 2.916 143 T HA 0.726 5.077 4.350 0.001 0.000 0.292 143 T C -0.216 174.486 174.700 0.004 0.000 1.064 143 T CA -0.813 61.307 62.100 0.035 0.000 1.011 143 T CB 1.567 70.458 68.868 0.040 0.000 1.152 143 T HN 0.489 nan 8.240 nan 0.000 0.510 144 A N 1.330 124.134 122.820 -0.026 0.000 2.332 144 A HA 0.568 4.889 4.320 0.001 0.000 0.258 144 A C 0.611 178.166 177.584 -0.049 0.000 1.087 144 A CA -0.707 51.286 52.037 -0.072 0.000 0.802 144 A CB 0.030 18.955 19.000 -0.124 0.000 1.042 144 A HN 0.915 nan 8.150 nan 0.000 0.489 145 R N 0.548 121.012 120.500 -0.059 0.000 2.480 145 R HA 0.247 4.587 4.340 0.001 0.000 0.303 145 R C -0.147 176.124 176.300 -0.047 0.000 0.985 145 R CA 1.003 57.075 56.100 -0.046 0.000 1.051 145 R CB 0.020 30.288 30.300 -0.053 0.000 0.935 145 R HN 0.925 nan 8.270 nan 0.000 0.410 146 S N 1.401 117.082 115.700 -0.033 0.000 2.671 146 S HA 0.807 5.278 4.470 0.001 0.000 0.277 146 S C -0.547 174.039 174.600 -0.022 0.000 1.165 146 S CA -0.845 57.339 58.200 -0.027 0.000 0.822 146 S CB 2.233 65.424 63.200 -0.015 0.000 1.150 146 S HN 0.612 nan 8.310 nan 0.000 0.479 147 G N 0.093 108.881 108.800 -0.019 0.000 2.682 147 G HA2 0.611 4.571 3.960 0.001 0.000 0.300 147 G HA3 0.611 4.571 3.960 0.001 0.000 0.300 147 G C -1.128 173.752 174.900 -0.033 0.000 1.391 147 G CA -0.742 44.345 45.100 -0.022 0.000 0.990 147 G HN 0.641 nan 8.290 nan 0.000 0.501 148 I N 0.836 121.373 120.570 -0.055 0.000 2.612 148 I HA 0.611 4.781 4.170 0.001 0.000 0.295 148 I C 0.499 176.482 176.117 -0.222 0.000 1.011 148 I CA -0.443 60.779 61.300 -0.129 0.000 1.326 148 I CB 1.623 39.558 38.000 -0.109 0.000 1.427 148 I HN 0.624 nan 8.210 nan 0.000 0.537 149 A N 4.439 127.041 122.820 -0.363 0.000 2.488 149 A HA 0.605 4.925 4.320 0.001 0.000 0.298 149 A C -0.774 176.529 177.584 -0.469 0.000 1.044 149 A CA -0.463 51.380 52.037 -0.323 0.000 0.693 149 A CB 0.807 19.748 19.000 -0.099 0.000 1.272 149 A HN 0.868 nan 8.150 nan 0.000 0.402 150 H N 0.414 119.499 119.070 0.024 0.000 3.241 150 H HA 0.280 4.837 4.556 0.001 0.000 0.260 150 H C 0.718 176.056 175.328 0.016 0.000 1.084 150 H CA 0.877 56.935 56.048 0.017 0.000 1.203 150 H CB 1.162 30.933 29.762 0.015 0.000 1.524 150 H HN 0.769 nan 8.280 nan 0.000 0.521 151 T N -3.095 111.514 114.554 0.091 0.000 2.883 151 T HA 0.208 4.558 4.350 0.001 0.000 0.296 151 T C 0.874 175.603 174.700 0.048 0.000 1.117 151 T CA -0.953 61.188 62.100 0.068 0.000 1.006 151 T CB 1.924 70.836 68.868 0.073 0.000 1.191 151 T HN 0.014 nan 8.240 nan 0.000 0.508 152 M N 0.891 120.520 119.600 0.048 0.000 2.213 152 M HA 0.051 4.532 4.480 0.001 0.000 0.263 152 M C 2.080 178.438 176.300 0.096 0.000 1.062 152 M CA 2.127 57.463 55.300 0.060 0.000 1.105 152 M CB -0.714 31.919 32.600 0.055 0.000 1.385 152 M HN 0.886 nan 8.290 nan 0.000 0.417 153 E N -0.183 120.063 120.200 0.077 0.000 2.047 153 E HA -0.237 4.113 4.350 0.001 0.000 0.191 153 E C 1.862 178.506 176.600 0.074 0.000 0.987 153 E CA 1.545 57.989 56.400 0.074 0.000 0.799 153 E CB -0.339 29.394 29.700 0.056 0.000 0.752 153 E HN 0.688 nan 8.360 nan 0.000 0.449 154 E N 0.255 120.494 120.200 0.064 0.000 2.049 154 E HA -0.262 4.089 4.350 0.001 0.000 0.198 154 E C 2.084 178.722 176.600 0.063 0.000 1.007 154 E CA 1.196 57.625 56.400 0.049 0.000 0.809 154 E CB -0.216 29.507 29.700 0.038 0.000 0.749 154 E HN 0.426 nan 8.360 nan 0.000 0.450 155 A N 1.101 123.977 122.820 0.094 0.000 1.865 155 A HA -0.198 4.122 4.320 0.001 0.000 0.217 155 A C 2.212 179.992 177.584 0.328 0.000 1.191 155 A CA 1.302 53.460 52.037 0.201 0.000 0.623 155 A CB -0.832 18.263 19.000 0.158 0.000 0.826 155 A HN 0.190 nan 8.150 nan 0.000 0.444 156 L N -0.804 120.599 121.223 0.300 0.000 2.187 156 L HA -0.245 4.096 4.340 0.001 0.000 0.213 156 L C 3.000 179.870 176.870 0.001 0.000 1.100 156 L CA 1.000 55.952 54.840 0.186 0.000 0.765 156 L CB -0.427 41.732 42.059 0.168 0.000 0.904 156 L HN 0.479 nan 8.230 nan 0.000 0.437 157 A N -0.637 122.196 122.820 0.021 0.000 1.897 157 A HA -0.108 4.213 4.320 0.001 0.000 0.215 157 A C 2.308 179.854 177.584 -0.064 0.000 1.181 157 A CA 1.393 53.414 52.037 -0.026 0.000 0.620 157 A CB -0.710 18.288 19.000 -0.003 0.000 0.821 157 A HN 0.154 nan 8.150 nan 0.000 0.443 158 V N 0.156 120.051 119.914 -0.031 0.000 2.332 158 V HA -0.288 3.832 4.120 0.001 0.000 0.248 158 V C 3.044 179.052 176.094 -0.144 0.000 1.055 158 V CA 1.968 64.238 62.300 -0.051 0.000 1.038 158 V CB -1.253 30.573 31.823 0.006 0.000 0.651 158 V HN 0.609 nan 8.190 nan 0.000 0.450 159 A N -0.002 122.675 122.820 -0.238 0.000 1.933 159 A HA -0.129 4.191 4.320 0.001 0.000 0.218 159 A C 2.425 179.670 177.584 -0.565 0.000 1.175 159 A CA 2.041 53.733 52.037 -0.574 0.000 0.628 159 A CB -0.741 17.545 19.000 -1.190 0.000 0.814 159 A HN 0.593 nan 8.150 nan 0.000 0.444 160 A N -0.352 122.244 122.820 -0.374 0.000 1.972 160 A HA -0.174 4.147 4.320 0.001 0.000 0.219 160 A C 1.845 179.286 177.584 -0.238 0.000 1.169 160 A CA 2.164 54.026 52.037 -0.291 0.000 0.635 160 A CB -0.512 18.385 19.000 -0.172 0.000 0.810 160 A HN 0.550 nan 8.150 nan 0.000 0.446 161 D N -0.465 119.814 120.400 -0.202 0.000 2.110 161 D HA -0.105 4.535 4.640 0.001 0.000 0.202 161 D C 1.947 178.151 176.300 -0.161 0.000 0.975 161 D CA 1.984 55.895 54.000 -0.148 0.000 0.839 161 D CB -0.097 40.640 40.800 -0.104 0.000 0.996 161 D HN 0.356 nan 8.370 nan 0.000 0.464 162 V N -2.542 117.256 119.914 -0.193 0.000 3.129 162 V HA 0.382 4.503 4.120 0.001 0.000 0.259 162 V C 1.216 177.182 176.094 -0.215 0.000 1.116 162 V CA 0.681 62.877 62.300 -0.172 0.000 1.127 162 V CB -0.953 30.787 31.823 -0.138 0.000 0.742 162 V HN 0.354 nan 8.190 nan 0.000 0.474 163 G N -0.025 108.568 108.800 -0.345 0.000 2.829 163 G HA2 -0.191 3.770 3.960 0.001 0.000 0.628 163 G HA3 -0.191 3.770 3.960 0.001 0.000 0.628 163 G C -0.734 173.892 174.900 -0.457 0.000 1.412 163 G CA -0.142 44.719 45.100 -0.398 0.000 0.864 163 G HN 0.547 nan 8.290 nan 0.000 0.544 164 F N 1.328 121.227 119.950 -0.084 0.000 2.425 164 F HA 0.579 5.107 4.527 0.001 0.000 0.331 164 F C -0.977 174.804 175.800 -0.032 0.000 1.085 164 F CA -1.560 56.397 58.000 -0.072 0.000 1.028 164 F CB 1.771 40.746 39.000 -0.041 0.000 1.177 164 F HN 0.428 nan 8.300 nan 0.000 0.487 165 P HA 0.336 nan 4.420 nan 0.000 0.276 165 P C -1.218 176.100 177.300 0.030 0.000 1.244 165 P CA -0.506 62.626 63.100 0.053 0.000 0.801 165 P CB 0.906 32.453 31.700 -0.255 0.000 1.006 166 C N -0.244 119.091 119.300 0.059 0.000 2.994 166 C HA 0.751 5.212 4.460 0.001 0.000 0.305 166 C C -0.712 174.294 174.990 0.025 0.000 1.251 166 C CA -0.930 58.108 59.018 0.033 0.000 1.478 166 C CB 0.201 27.965 27.740 0.040 0.000 1.922 166 C HN 0.361 nan 8.230 nan 0.000 0.472 167 I N 2.256 122.826 120.570 0.000 0.000 2.359 167 I HA 0.534 4.704 4.170 0.001 0.000 0.294 167 I C -0.016 176.112 176.117 0.019 0.000 0.987 167 I CA -0.772 60.522 61.300 -0.009 0.000 1.225 167 I CB 1.279 39.256 38.000 -0.039 0.000 1.366 167 I HN 0.587 nan 8.210 nan 0.000 0.466 168 I N 6.754 127.331 120.570 0.011 0.000 2.339 168 I HA 0.488 4.659 4.170 0.001 0.000 0.290 168 I C -0.077 176.024 176.117 -0.026 0.000 0.994 168 I CA -0.398 60.896 61.300 -0.009 0.000 1.191 168 I CB 0.642 38.609 38.000 -0.055 0.000 1.343 168 I HN 0.387 nan 8.210 nan 0.000 0.458 169 R N 6.776 127.260 120.500 -0.027 0.000 2.483 169 R HA 0.468 4.808 4.340 0.001 0.000 0.303 169 R C -2.755 173.528 176.300 -0.028 0.000 0.987 169 R CA -1.774 54.309 56.100 -0.029 0.000 0.881 169 R CB 1.945 32.224 30.300 -0.036 0.000 1.177 169 R HN 0.223 nan 8.270 nan 0.000 0.451 170 P HA 0.154 nan 4.420 nan 0.000 0.277 170 P C -0.582 176.725 177.300 0.011 0.000 1.240 170 P CA -0.354 62.744 63.100 -0.003 0.000 0.798 170 P CB 1.036 32.737 31.700 0.002 0.000 0.979 171 S N 1.339 117.075 115.700 0.059 0.000 2.584 171 S HA 0.381 4.852 4.470 0.001 0.000 0.273 171 S C -0.075 174.647 174.600 0.203 0.000 1.311 171 S CA -0.096 58.164 58.200 0.100 0.000 1.034 171 S CB -0.621 62.700 63.200 0.201 0.000 0.939 171 S HN 0.440 nan 8.310 nan 0.000 0.513 172 F N -0.126 119.809 119.950 -0.025 0.000 2.965 172 F HA -0.224 4.303 4.527 0.001 0.000 0.287 172 F C 0.868 176.647 175.800 -0.035 0.000 0.790 172 F CA 0.890 58.872 58.000 -0.029 0.000 1.279 172 F CB -2.157 36.828 39.000 -0.025 0.000 1.409 172 F HN 0.695 nan 8.300 nan 0.000 0.446 173 T N -1.819 112.744 114.554 0.015 0.000 2.865 173 T HA 0.888 5.238 4.350 0.001 0.000 0.294 173 T C -0.296 174.380 174.700 -0.039 0.000 1.119 173 T CA -0.188 61.911 62.100 -0.002 0.000 1.007 173 T CB 2.940 71.811 68.868 0.004 0.000 1.225 173 T HN 0.531 nan 8.240 nan 0.000 0.515 174 M N -0.521 119.064 119.600 -0.025 0.000 2.755 174 M HA 0.830 5.311 4.480 0.001 0.000 0.273 174 M C 0.754 177.045 176.300 -0.014 0.000 1.278 174 M CA 0.347 55.646 55.300 -0.002 0.000 0.819 174 M CB 0.526 33.127 32.600 0.002 0.000 1.694 174 M HN 1.640 nan 8.290 nan 0.000 0.460 175 G N -0.646 108.156 108.800 0.003 0.000 2.166 175 G HA2 0.176 4.136 3.960 0.001 0.000 0.260 175 G HA3 0.176 4.136 3.960 0.001 0.000 0.260 175 G C 1.206 175.868 174.900 -0.398 0.000 0.986 175 G CA 0.967 45.906 45.100 -0.268 0.000 0.683 175 G HN 2.628 nan 8.290 nan 0.000 0.527 176 G N -1.607 107.121 108.800 -0.120 0.000 2.155 176 G HA2 -0.072 3.888 3.960 0.001 0.000 0.257 176 G HA3 -0.072 3.888 3.960 0.001 0.000 0.257 176 G C 0.507 175.364 174.900 -0.070 0.000 0.983 176 G CA 0.796 45.873 45.100 -0.039 0.000 0.676 176 G HN 1.833 nan 8.290 nan 0.000 0.528 177 S N 0.163 115.813 115.700 -0.082 0.000 2.515 177 S HA 0.434 4.904 4.470 0.001 0.000 0.285 177 S C 1.654 176.220 174.600 -0.057 0.000 1.265 177 S CA 1.152 59.304 58.200 -0.080 0.000 1.079 177 S CB 0.952 64.109 63.200 -0.072 0.000 0.877 177 S HN 2.095 nan 8.310 nan 0.000 0.493 178 G N 2.468 111.229 108.800 -0.066 0.000 2.179 178 G HA2 -0.171 3.790 3.960 0.001 0.000 0.260 178 G HA3 -0.171 3.790 3.960 0.001 0.000 0.260 178 G C 0.342 175.207 174.900 -0.058 0.000 0.977 178 G CA -0.088 44.977 45.100 -0.059 0.000 0.641 178 G HN 1.092 nan 8.290 nan 0.000 0.533 179 G N -1.319 107.452 108.800 -0.049 0.000 2.938 179 G HA2 1.021 4.982 3.960 0.001 0.000 0.258 179 G HA3 1.021 4.982 3.960 0.001 0.000 0.258 179 G C 0.303 175.184 174.900 -0.031 0.000 1.356 179 G CA 0.290 45.366 45.100 -0.040 0.000 1.052 179 G HN 1.775 nan 8.290 nan 0.000 0.550 180 G N -1.833 106.955 108.800 -0.019 0.000 2.341 180 G HA2 0.373 4.333 3.960 0.001 0.000 0.293 180 G HA3 0.373 4.333 3.960 0.001 0.000 0.293 180 G C -1.650 173.238 174.900 -0.021 0.000 1.298 180 G CA -0.856 44.239 45.100 -0.007 0.000 0.868 180 G HN 0.669 nan 8.290 nan 0.000 0.540 181 I N 1.053 121.600 120.570 -0.038 0.000 2.377 181 I HA 0.613 4.783 4.170 0.001 0.000 0.293 181 I C 0.583 176.588 176.117 -0.186 0.000 0.987 181 I CA -0.797 60.417 61.300 -0.143 0.000 1.185 181 I CB 1.949 39.803 38.000 -0.242 0.000 1.341 181 I HN 0.768 nan 8.210 nan 0.000 0.455 182 A N 5.445 128.182 122.820 -0.138 0.000 2.271 182 A HA 0.500 4.821 4.320 0.001 0.000 0.317 182 A C -0.570 176.852 177.584 -0.269 0.000 1.245 182 A CA -0.298 51.697 52.037 -0.069 0.000 0.857 182 A CB 0.184 19.344 19.000 0.266 0.000 1.175 182 A HN 0.743 nan 8.150 nan 0.000 0.512 183 Y N 1.570 121.778 120.300 -0.155 0.000 2.462 183 Y HA 0.127 4.678 4.550 0.002 0.000 0.261 183 Y C 0.803 176.380 175.900 -0.540 0.000 1.146 183 Y CA 0.611 58.590 58.100 -0.202 0.000 1.283 183 Y CB 0.248 38.648 38.460 -0.099 0.000 1.090 183 Y HN 0.912 nan 8.280 nan 0.000 0.526 184 N N -2.596 115.656 118.700 -0.745 0.000 3.116 184 N HA 0.161 4.901 4.740 0.001 0.000 0.244 184 N C 0.235 175.244 175.510 -0.834 0.000 1.485 184 N CA -1.018 51.467 53.050 -0.943 0.000 0.884 184 N CB 0.564 38.859 38.487 -0.319 0.000 1.415 184 N HN -0.189 nan 8.380 nan 0.000 0.524 185 R N -0.112 120.146 120.500 -0.405 0.000 2.096 185 R HA -0.139 4.202 4.340 0.001 0.000 0.235 185 R C 1.336 177.695 176.300 0.097 0.000 1.127 185 R CA 1.868 57.980 56.100 0.020 0.000 0.968 185 R CB -0.175 30.204 30.300 0.131 0.000 0.861 185 R HN 0.828 nan 8.270 nan 0.000 0.440 186 E N 0.492 120.697 120.200 0.009 0.000 2.031 186 E HA -0.235 4.115 4.350 0.001 0.000 0.193 186 E C 1.703 178.321 176.600 0.031 0.000 0.994 186 E CA 1.581 57.997 56.400 0.027 0.000 0.800 186 E CB 0.007 29.709 29.700 0.002 0.000 0.752 186 E HN 0.427 nan 8.360 nan 0.000 0.447 187 E N -0.278 119.921 120.200 -0.001 0.000 2.058 187 E HA -0.201 4.150 4.350 0.001 0.000 0.194 187 E C 1.875 178.501 176.600 0.043 0.000 0.997 187 E CA 1.249 57.654 56.400 0.009 0.000 0.801 187 E CB -0.273 29.426 29.700 -0.002 0.000 0.746 187 E HN 0.303 nan 8.360 nan 0.000 0.450 188 F N 1.927 121.827 119.950 -0.082 0.000 2.091 188 F HA -0.278 4.249 4.527 0.001 0.000 0.299 188 F C 2.191 178.009 175.800 0.030 0.000 1.103 188 F CA 1.760 59.769 58.000 0.015 0.000 1.228 188 F CB 0.078 39.154 39.000 0.128 0.000 0.984 188 F HN -0.006 nan 8.300 nan 0.000 0.477 189 E N -0.257 120.004 120.200 0.101 0.000 2.077 189 E HA -0.272 4.079 4.350 0.001 0.000 0.193 189 E C 2.236 178.792 176.600 -0.074 0.000 0.989 189 E CA 1.298 57.701 56.400 0.005 0.000 0.800 189 E CB -0.354 29.404 29.700 0.097 0.000 0.746 189 E HN 0.558 nan 8.360 nan 0.000 0.452 190 E N 0.851 121.024 120.200 -0.045 0.000 2.051 190 E HA -0.212 4.139 4.350 0.001 0.000 0.192 190 E C 2.141 178.685 176.600 -0.094 0.000 0.991 190 E CA 1.052 57.419 56.400 -0.053 0.000 0.799 190 E CB -0.070 29.613 29.700 -0.027 0.000 0.748 190 E HN 0.225 nan 8.360 nan 0.000 0.449 191 I N 0.587 121.083 120.570 -0.124 0.000 2.252 191 I HA -0.318 3.852 4.170 0.001 0.000 0.245 191 I C 2.774 178.777 176.117 -0.191 0.000 1.102 191 I CA 0.733 61.947 61.300 -0.142 0.000 1.385 191 I CB -0.324 37.597 38.000 -0.131 0.000 1.064 191 I HN 0.273 nan 8.210 nan 0.000 0.414 192 C N 0.807 119.920 119.300 -0.312 0.000 2.413 192 C HA -0.171 4.290 4.460 0.001 0.000 0.276 192 C C 3.230 178.121 174.990 -0.165 0.000 1.236 192 C CA 0.975 59.806 59.018 -0.312 0.000 1.735 192 C CB -1.285 26.146 27.740 -0.514 0.000 2.031 192 C HN 0.609 nan 8.230 nan 0.000 0.474 193 A N 0.421 123.164 122.820 -0.129 0.000 1.883 193 A HA -0.246 4.074 4.320 0.001 0.000 0.217 193 A C 2.246 179.791 177.584 -0.065 0.000 1.186 193 A CA 2.033 54.030 52.037 -0.066 0.000 0.624 193 A CB -0.654 18.323 19.000 -0.039 0.000 0.822 193 A HN 0.672 nan 8.150 nan 0.000 0.444 194 R N -0.712 119.737 120.500 -0.086 0.000 2.070 194 R HA -0.087 4.254 4.340 0.001 0.000 0.233 194 R C 2.313 178.573 176.300 -0.066 0.000 1.137 194 R CA 1.696 57.747 56.100 -0.083 0.000 0.945 194 R CB -0.809 29.437 30.300 -0.090 0.000 0.845 194 R HN 0.430 nan 8.270 nan 0.000 0.430 195 G N 1.164 109.918 108.800 -0.076 0.000 2.440 195 G HA2 -0.253 3.708 3.960 0.001 0.000 0.218 195 G HA3 -0.253 3.708 3.960 0.001 0.000 0.218 195 G C 1.502 176.381 174.900 -0.036 0.000 1.154 195 G CA 0.796 45.861 45.100 -0.059 0.000 0.767 195 G HN 0.254 nan 8.290 nan 0.000 0.552 196 L N 0.060 121.260 121.223 -0.039 0.000 2.012 196 L HA -0.119 4.221 4.340 0.001 0.000 0.210 196 L C 2.528 179.403 176.870 0.008 0.000 1.073 196 L CA 1.754 56.588 54.840 -0.009 0.000 0.748 196 L CB -0.307 41.747 42.059 -0.008 0.000 0.891 196 L HN 0.220 nan 8.230 nan 0.000 0.431 197 D N -0.766 119.635 120.400 0.002 0.000 2.277 197 D HA -0.151 4.490 4.640 0.001 0.000 0.208 197 D C 1.925 178.232 176.300 0.011 0.000 0.962 197 D CA 0.386 54.395 54.000 0.014 0.000 0.865 197 D CB 0.302 41.111 40.800 0.015 0.000 0.939 197 D HN 0.100 nan 8.370 nan 0.000 0.510 198 L N -0.226 120.997 121.223 -0.001 0.000 2.249 198 L HA 0.216 4.556 4.340 0.001 0.000 0.207 198 L C 0.710 177.589 176.870 0.015 0.000 1.090 198 L CA 0.437 55.278 54.840 0.001 0.000 0.802 198 L CB -0.374 41.675 42.059 -0.017 0.000 0.947 198 L HN -0.152 nan 8.230 nan 0.000 0.453 199 S N 0.458 116.172 115.700 0.022 0.000 2.544 199 S HA 0.077 4.547 4.470 0.001 0.000 0.290 199 S C -1.432 173.191 174.600 0.037 0.000 1.276 199 S CA -0.866 57.364 58.200 0.049 0.000 1.075 199 S CB 0.458 63.694 63.200 0.060 0.000 0.849 199 S HN 0.160 nan 8.310 nan 0.000 0.494 200 P HA -0.008 nan 4.420 nan 0.000 0.222 200 P C 1.070 178.313 177.300 -0.094 0.000 1.147 200 P CA 0.990 64.067 63.100 -0.039 0.000 0.790 200 P CB -0.119 31.530 31.700 -0.084 0.000 0.780 201 T N -5.431 109.095 114.554 -0.047 0.000 3.092 201 T HA 0.191 4.541 4.350 0.001 0.000 0.258 201 T C 0.814 175.533 174.700 0.030 0.000 1.031 201 T CA -0.449 61.620 62.100 -0.052 0.000 0.925 201 T CB -0.500 68.345 68.868 -0.039 0.000 1.036 201 T HN -0.106 nan 8.240 nan 0.000 0.544 202 K N 0.966 121.392 120.400 0.045 0.000 3.150 202 K HA -0.183 4.138 4.320 0.001 0.000 0.267 202 K C -0.524 176.161 176.600 0.142 0.000 1.028 202 K CA 0.681 57.010 56.287 0.071 0.000 0.753 202 K CB -1.202 31.329 32.500 0.051 0.000 1.288 202 K HN 0.865 nan 8.250 nan 0.000 0.473 203 E N 0.383 120.661 120.200 0.130 0.000 2.340 203 E HA 0.596 4.947 4.350 0.001 0.000 0.273 203 E C -1.019 175.599 176.600 0.029 0.000 0.891 203 E CA -0.886 55.593 56.400 0.132 0.000 0.757 203 E CB 1.260 31.084 29.700 0.207 0.000 1.231 203 E HN 0.232 nan 8.360 nan 0.000 0.439 204 L N 3.285 124.476 121.223 -0.052 0.000 2.401 204 L HA 0.539 4.880 4.340 0.001 0.000 0.266 204 L C -1.073 175.758 176.870 -0.064 0.000 0.991 204 L CA -1.148 53.660 54.840 -0.053 0.000 0.818 204 L CB 1.850 43.867 42.059 -0.070 0.000 1.321 204 L HN 0.479 nan 8.230 nan 0.000 0.413 205 L N 3.170 124.372 121.223 -0.034 0.000 2.313 205 L HA 0.649 4.990 4.340 0.001 0.000 0.283 205 L C -1.020 175.844 176.870 -0.010 0.000 1.013 205 L CA 0.071 54.897 54.840 -0.024 0.000 0.816 205 L CB 1.404 43.457 42.059 -0.009 0.000 1.236 205 L HN 0.406 nan 8.230 nan 0.000 0.419 206 I N 4.259 124.833 120.570 0.005 0.000 2.406 206 I HA 0.438 4.609 4.170 0.001 0.000 0.290 206 I C -0.960 175.163 176.117 0.009 0.000 0.999 206 I CA -0.203 61.121 61.300 0.039 0.000 1.124 206 I CB 1.683 39.755 38.000 0.121 0.000 1.289 206 I HN 0.609 nan 8.210 nan 0.000 0.441 207 D N 4.175 124.573 120.400 -0.003 0.000 2.433 207 D HA 0.331 4.971 4.640 0.001 0.000 0.236 207 D C -0.649 175.616 176.300 -0.057 0.000 1.026 207 D CA -0.792 53.185 54.000 -0.037 0.000 0.884 207 D CB 1.177 41.947 40.800 -0.051 0.000 1.384 207 D HN 0.566 nan 8.370 nan 0.000 0.477 208 E N -0.100 120.051 120.200 -0.082 0.000 2.422 208 E HA 0.164 4.514 4.350 0.001 0.000 0.260 208 E C -0.314 176.213 176.600 -0.123 0.000 1.108 208 E CA -0.556 55.784 56.400 -0.100 0.000 0.943 208 E CB 0.700 30.337 29.700 -0.105 0.000 0.961 208 E HN 0.165 nan 8.360 nan 0.000 0.443 209 S N 1.429 117.059 115.700 -0.118 0.000 2.531 209 S HA 0.133 4.603 4.470 0.001 0.000 0.279 209 S C 0.324 174.782 174.600 -0.236 0.000 1.305 209 S CA -0.572 57.547 58.200 -0.135 0.000 1.058 209 S CB -0.015 63.141 63.200 -0.074 0.000 0.899 209 S HN 0.541 nan 8.310 nan 0.000 0.493 210 L N 5.491 126.532 121.223 -0.304 0.000 3.168 210 L HA 0.395 4.736 4.340 0.001 0.000 0.277 210 L C -0.160 176.558 176.870 -0.252 0.000 1.245 210 L CA -0.259 54.228 54.840 -0.589 0.000 1.035 210 L CB 0.097 41.717 42.059 -0.732 0.000 1.399 210 L HN 0.603 nan 8.230 nan 0.000 0.580 211 I N 1.377 121.891 120.570 -0.092 0.000 2.821 211 I HA -0.029 4.142 4.170 0.001 0.000 0.294 211 I C 1.468 177.650 176.117 0.108 0.000 1.210 211 I CA 1.397 62.709 61.300 0.019 0.000 1.430 211 I CB 0.347 38.368 38.000 0.035 0.000 1.356 211 I HN 0.469 nan 8.210 nan 0.000 0.563 212 G N 4.440 113.323 108.800 0.138 0.000 2.213 212 G HA2 -0.220 3.740 3.960 0.001 0.000 0.226 212 G HA3 -0.220 3.740 3.960 0.001 0.000 0.226 212 G C -0.144 174.939 174.900 0.304 0.000 0.992 212 G CA -0.681 44.518 45.100 0.166 0.000 0.632 212 G HN 0.490 nan 8.290 nan 0.000 0.511 213 W N 2.171 123.500 121.300 0.049 0.000 2.093 213 W HA 0.632 5.292 4.660 0.001 0.000 0.352 213 W C 1.096 177.661 176.519 0.076 0.000 1.294 213 W CA -0.528 56.865 57.345 0.081 0.000 1.290 213 W CB 0.464 29.975 29.460 0.084 0.000 1.149 213 W HN 0.010 nan 8.180 nan 0.000 0.606 214 K N 1.503 122.061 120.400 0.262 0.000 2.258 214 K HA 0.122 4.443 4.320 0.001 0.000 0.264 214 K C -0.370 176.318 176.600 0.146 0.000 1.007 214 K CA -0.326 56.052 56.287 0.151 0.000 0.941 214 K CB 0.811 33.406 32.500 0.157 0.000 0.966 214 K HN 0.390 nan 8.250 nan 0.000 0.480 215 E N 2.100 122.265 120.200 -0.059 0.000 2.176 215 E HA 0.259 4.609 4.350 0.001 0.000 0.267 215 E C -1.575 174.889 176.600 -0.227 0.000 0.893 215 E CA -0.534 55.861 56.400 -0.008 0.000 0.761 215 E CB 0.771 30.474 29.700 0.006 0.000 1.133 215 E HN 0.359 nan 8.360 nan 0.000 0.409 216 Y N 1.547 121.949 120.300 0.170 0.000 2.602 216 Y HA 0.465 5.016 4.550 0.001 0.000 0.342 216 Y C -0.274 175.745 175.900 0.199 0.000 1.029 216 Y CA -0.778 57.422 58.100 0.167 0.000 1.080 216 Y CB 2.265 40.810 38.460 0.142 0.000 1.284 216 Y HN 0.443 nan 8.280 nan 0.000 0.485 217 E N 1.799 122.212 120.200 0.354 0.000 2.331 217 E HA 0.577 4.928 4.350 0.001 0.000 0.275 217 E C -1.521 175.211 176.600 0.219 0.000 0.895 217 E CA -0.922 55.627 56.400 0.248 0.000 0.753 217 E CB 3.108 32.883 29.700 0.126 0.000 1.216 217 E HN 0.467 nan 8.360 nan 0.000 0.434 218 M N 1.637 121.356 119.600 0.197 0.000 2.395 218 M HA 0.306 4.786 4.480 0.001 0.000 0.307 218 M C -1.077 175.266 176.300 0.071 0.000 1.091 218 M CA -0.833 54.540 55.300 0.121 0.000 0.919 218 M CB 2.256 34.924 32.600 0.114 0.000 1.662 218 M HN 0.319 nan 8.290 nan 0.000 0.440 219 E N 3.065 123.281 120.200 0.026 0.000 2.134 219 E HA 0.508 4.858 4.350 0.001 0.000 0.278 219 E C -1.161 175.412 176.600 -0.045 0.000 0.959 219 E CA -0.327 56.070 56.400 -0.004 0.000 0.783 219 E CB 1.925 31.615 29.700 -0.016 0.000 1.095 219 E HN 0.370 nan 8.360 nan 0.000 0.399 220 V N 2.040 121.937 119.914 -0.029 0.000 2.815 220 V HA 0.582 4.703 4.120 0.001 0.000 0.314 220 V C -0.009 176.060 176.094 -0.041 0.000 1.064 220 V CA -0.973 61.302 62.300 -0.041 0.000 0.952 220 V CB 2.247 34.069 31.823 -0.002 0.000 1.020 220 V HN 0.339 nan 8.190 nan 0.000 0.439 221 V N 3.109 122.992 119.914 -0.050 0.000 2.686 221 V HA 0.639 4.760 4.120 0.001 0.000 0.306 221 V C -0.377 175.724 176.094 0.013 0.000 1.065 221 V CA -0.637 61.655 62.300 -0.013 0.000 0.894 221 V CB 1.981 33.788 31.823 -0.028 0.000 1.004 221 V HN 0.941 nan 8.190 nan 0.000 0.424 222 R N 2.574 123.095 120.500 0.035 0.000 2.744 222 R HA 0.703 5.044 4.340 0.001 0.000 0.279 222 R C -1.634 174.698 176.300 0.054 0.000 0.977 222 R CA -0.493 55.631 56.100 0.040 0.000 0.906 222 R CB 2.147 32.466 30.300 0.033 0.000 1.197 222 R HN 0.936 nan 8.270 nan 0.000 0.463 223 D N 1.276 121.711 120.400 0.057 0.000 2.414 223 D HA 0.137 4.777 4.640 0.001 0.000 0.241 223 D C 0.253 176.584 176.300 0.051 0.000 1.008 223 D CA -0.888 53.151 54.000 0.065 0.000 1.001 223 D CB 1.211 42.061 40.800 0.083 0.000 1.277 223 D HN 0.598 nan 8.370 nan 0.000 0.538 224 K N -0.196 120.234 120.400 0.050 0.000 2.360 224 K HA -0.114 4.207 4.320 0.001 0.000 0.201 224 K C 0.395 177.016 176.600 0.035 0.000 1.046 224 K CA 1.032 57.341 56.287 0.038 0.000 0.940 224 K CB -0.362 32.157 32.500 0.032 0.000 0.748 224 K HN 0.121 nan 8.250 nan 0.000 0.465 225 N N 1.075 119.800 118.700 0.042 0.000 2.383 225 N HA -0.042 4.698 4.740 0.001 0.000 0.192 225 N C -0.532 174.999 175.510 0.035 0.000 1.141 225 N CA 0.755 53.828 53.050 0.037 0.000 0.851 225 N CB 0.218 38.730 38.487 0.042 0.000 0.976 225 N HN 0.347 nan 8.380 nan 0.000 0.465 226 D N -0.726 119.696 120.400 0.036 0.000 3.070 226 D HA -0.164 4.476 4.640 0.001 0.000 0.210 226 D C -0.947 175.374 176.300 0.035 0.000 1.103 226 D CA 0.458 54.477 54.000 0.032 0.000 0.980 226 D CB -1.421 39.395 40.800 0.026 0.000 1.100 226 D HN 0.166 nan 8.370 nan 0.000 0.423 227 N N 0.479 119.206 118.700 0.044 0.000 2.520 227 N HA 0.317 5.058 4.740 0.001 0.000 0.273 227 N C -0.343 175.194 175.510 0.045 0.000 1.155 227 N CA 0.176 53.256 53.050 0.049 0.000 0.967 227 N CB 1.352 39.877 38.487 0.065 0.000 1.092 227 N HN 0.302 nan 8.380 nan 0.000 0.457 228 C N 3.693 123.014 119.300 0.036 0.000 2.686 228 C HA 0.743 5.204 4.460 0.001 0.000 0.318 228 C C -0.651 174.342 174.990 0.005 0.000 1.160 228 C CA -0.694 58.336 59.018 0.021 0.000 1.396 228 C CB -0.280 27.470 27.740 0.017 0.000 1.924 228 C HN 0.754 nan 8.230 nan 0.000 0.471 229 I N 3.086 123.641 120.570 -0.025 0.000 2.969 229 I HA 0.667 4.838 4.170 0.001 0.000 0.307 229 I C -1.175 174.875 176.117 -0.111 0.000 1.149 229 I CA -0.884 60.375 61.300 -0.068 0.000 1.008 229 I CB 1.669 39.602 38.000 -0.112 0.000 1.232 229 I HN 0.244 nan 8.210 nan 0.000 0.435 230 I N 4.310 124.813 120.570 -0.112 0.000 2.297 230 I HA 0.181 4.351 4.170 0.001 0.000 0.291 230 I C 1.014 177.009 176.117 -0.203 0.000 1.033 230 I CA -0.361 60.874 61.300 -0.109 0.000 1.253 230 I CB 1.357 39.335 38.000 -0.036 0.000 1.396 230 I HN 0.566 nan 8.210 nan 0.000 0.476 231 V N 5.257 125.001 119.914 -0.283 0.000 2.649 231 V HA -0.038 4.082 4.120 0.001 0.000 0.248 231 V C 0.729 176.693 176.094 -0.217 0.000 1.054 231 V CA 1.021 63.059 62.300 -0.437 0.000 1.073 231 V CB 0.350 31.802 31.823 -0.618 0.000 0.699 231 V HN 0.875 nan 8.190 nan 0.000 0.463 232 C N -0.362 118.878 119.300 -0.101 0.000 3.241 232 C HA 0.576 5.036 4.460 0.001 0.000 0.348 232 C C -0.307 174.709 174.990 0.043 0.000 1.180 232 C CA -0.468 58.541 59.018 -0.015 0.000 1.273 232 C CB 1.282 29.021 27.740 -0.001 0.000 1.620 232 C HN 0.472 nan 8.230 nan 0.000 0.510 233 S N 3.925 119.684 115.700 0.099 0.000 2.537 233 S HA 0.907 5.378 4.470 0.001 0.000 0.301 233 S C -1.052 173.644 174.600 0.159 0.000 1.092 233 S CA -0.571 57.721 58.200 0.152 0.000 1.048 233 S CB 1.261 64.621 63.200 0.267 0.000 1.053 233 S HN 0.714 nan 8.310 nan 0.000 0.501 234 I N 1.247 121.934 120.570 0.195 0.000 2.569 234 I HA 0.434 4.605 4.170 0.001 0.000 0.290 234 I C -0.608 175.635 176.117 0.211 0.000 1.088 234 I CA -0.425 60.979 61.300 0.174 0.000 1.047 234 I CB 2.286 40.358 38.000 0.120 0.000 1.237 234 I HN 0.823 nan 8.210 nan 0.000 0.421 235 E N 6.356 126.651 120.200 0.157 0.000 2.158 235 E HA 0.341 4.692 4.350 0.001 0.000 0.271 235 E C -0.918 175.676 176.600 -0.009 0.000 0.911 235 E CA -0.623 55.764 56.400 -0.022 0.000 0.767 235 E CB 1.189 30.965 29.700 0.127 0.000 1.120 235 E HN 0.550 nan 8.360 nan 0.000 0.405 236 N N 3.986 122.609 118.700 -0.130 0.000 2.518 236 N HA 0.033 4.773 4.740 0.001 0.000 0.266 236 N C 0.195 175.674 175.510 -0.052 0.000 1.196 236 N CA -0.041 52.983 53.050 -0.043 0.000 0.947 236 N CB 0.635 39.092 38.487 -0.050 0.000 1.098 236 N HN 0.536 nan 8.380 nan 0.000 0.450 237 F N 1.952 121.737 119.950 -0.276 0.000 2.149 237 F HA 0.023 4.550 4.527 0.001 0.000 0.294 237 F C 0.543 176.184 175.800 -0.264 0.000 1.095 237 F CA 0.767 58.422 58.000 -0.575 0.000 1.276 237 F CB 0.279 38.956 39.000 -0.539 0.000 1.023 237 F HN 0.380 nan 8.300 nan 0.000 0.480 238 D N 1.930 122.356 120.400 0.043 0.000 2.312 238 D HA 0.290 4.931 4.640 0.001 0.000 0.252 238 D C 0.427 176.718 176.300 -0.015 0.000 1.150 238 D CA 0.314 54.323 54.000 0.014 0.000 0.870 238 D CB 1.383 42.269 40.800 0.143 0.000 1.153 238 D HN 0.325 nan 8.370 nan 0.000 0.457 239 A N 3.355 126.157 122.820 -0.030 0.000 2.307 239 A HA 0.121 4.442 4.320 0.001 0.000 0.271 239 A C 0.814 178.423 177.584 0.043 0.000 1.188 239 A CA -0.356 51.689 52.037 0.013 0.000 0.810 239 A CB 0.183 19.193 19.000 0.017 0.000 1.123 239 A HN 0.529 nan 8.150 nan 0.000 0.509 240 M N -0.019 119.629 119.600 0.079 0.000 2.251 240 M HA 0.266 4.746 4.480 0.001 0.000 0.343 240 M C 1.382 177.712 176.300 0.049 0.000 1.245 240 M CA 1.871 57.212 55.300 0.068 0.000 1.061 240 M CB -0.293 32.368 32.600 0.102 0.000 1.723 240 M HN 1.422 nan 8.290 nan 0.000 0.449 241 G N 3.669 112.490 108.800 0.035 0.000 2.428 241 G HA2 -0.145 3.815 3.960 0.001 0.000 0.199 241 G HA3 -0.145 3.815 3.960 0.001 0.000 0.199 241 G C 0.040 174.984 174.900 0.073 0.000 1.005 241 G CA -0.625 44.502 45.100 0.045 0.000 0.671 241 G HN 0.559 nan 8.290 nan 0.000 0.485 242 I N 2.505 123.123 120.570 0.081 0.000 2.362 242 I HA 0.344 4.514 4.170 0.001 0.000 0.289 242 I C 0.679 176.877 176.117 0.135 0.000 0.994 242 I CA -1.055 60.319 61.300 0.123 0.000 1.158 242 I CB 1.330 39.405 38.000 0.126 0.000 1.315 242 I HN 0.148 nan 8.210 nan 0.000 0.451 243 H N 4.980 124.099 119.070 0.081 0.000 3.038 243 H HA -0.065 4.491 4.556 0.001 0.000 0.338 243 H C 1.143 176.512 175.328 0.068 0.000 1.041 243 H CA 1.183 57.268 56.048 0.063 0.000 1.394 243 H CB 1.275 31.073 29.762 0.060 0.000 1.357 243 H HN 0.858 nan 8.280 nan 0.000 0.600 244 T N 0.695 115.138 114.554 -0.185 0.000 2.778 244 T HA -0.161 4.190 4.350 0.001 0.000 0.269 244 T C 2.077 176.870 174.700 0.155 0.000 1.050 244 T CA 1.182 63.267 62.100 -0.025 0.000 1.137 244 T CB -0.586 68.208 68.868 -0.123 0.000 0.860 244 T HN 0.637 nan 8.240 nan 0.000 0.468 245 G N 0.730 109.791 108.800 0.434 0.000 2.484 245 G HA2 -0.017 3.943 3.960 0.001 0.000 0.218 245 G HA3 -0.017 3.943 3.960 0.001 0.000 0.218 245 G C 1.017 176.009 174.900 0.153 0.000 1.130 245 G CA 0.526 45.783 45.100 0.262 0.000 0.784 245 G HN 0.484 nan 8.290 nan 0.000 0.543 246 D N -0.178 120.369 120.400 0.245 0.000 2.363 246 D HA 0.243 4.883 4.640 0.001 0.000 0.214 246 D C 0.627 177.122 176.300 0.325 0.000 1.093 246 D CA 0.034 54.221 54.000 0.311 0.000 0.837 246 D CB 0.685 41.742 40.800 0.428 0.000 0.948 246 D HN 0.069 nan 8.370 nan 0.000 0.507 247 S N -0.193 115.631 115.700 0.206 0.000 2.651 247 S HA 0.481 4.952 4.470 0.001 0.000 0.291 247 S C 0.332 174.998 174.600 0.110 0.000 1.141 247 S CA -0.651 57.651 58.200 0.170 0.000 1.027 247 S CB 1.672 64.946 63.200 0.123 0.000 1.043 247 S HN 0.032 nan 8.310 nan 0.000 0.530 248 I N 2.639 123.267 120.570 0.098 0.000 2.371 248 I HA 0.266 4.437 4.170 0.001 0.000 0.290 248 I C 0.590 176.726 176.117 0.031 0.000 1.028 248 I CA 0.023 61.308 61.300 -0.025 0.000 1.345 248 I CB 0.973 38.798 38.000 -0.292 0.000 1.407 248 I HN 0.656 nan 8.210 nan 0.000 0.501 249 T N 3.825 118.388 114.554 0.015 0.000 2.916 249 T HA 0.789 5.140 4.350 0.001 0.000 0.292 249 T C -0.539 174.201 174.700 0.067 0.000 1.055 249 T CA -0.764 61.365 62.100 0.049 0.000 1.009 249 T CB 1.982 70.880 68.868 0.050 0.000 1.118 249 T HN 0.436 nan 8.240 nan 0.000 0.497 250 V N -1.504 118.485 119.914 0.125 0.000 3.007 250 V HA 1.009 5.129 4.120 0.001 0.000 0.311 250 V C -0.630 175.554 176.094 0.151 0.000 1.120 250 V CA -1.169 61.229 62.300 0.163 0.000 0.980 250 V CB 1.248 33.246 31.823 0.291 0.000 1.033 250 V HN 1.557 nan 8.190 nan 0.000 0.429 251 A N 4.910 127.803 122.820 0.123 0.000 2.355 251 A HA 1.053 5.374 4.320 0.001 0.000 0.317 251 A C -2.783 174.844 177.584 0.072 0.000 1.094 251 A CA -1.783 50.312 52.037 0.096 0.000 0.764 251 A CB 1.832 20.876 19.000 0.072 0.000 1.230 251 A HN 0.808 nan 8.150 nan 0.000 0.448 252 P HA 0.508 nan 4.420 nan 0.000 0.321 252 P C 0.060 177.417 177.300 0.096 0.000 1.304 252 P CA -0.293 62.841 63.100 0.057 0.000 0.759 252 P CB 0.650 32.344 31.700 -0.010 0.000 1.385 253 A N 0.155 123.066 122.820 0.153 0.000 2.483 253 A HA 0.083 4.404 4.320 0.001 0.000 0.238 253 A C 1.125 178.716 177.584 0.012 0.000 1.070 253 A CA 0.298 52.462 52.037 0.210 0.000 0.770 253 A CB -0.331 18.866 19.000 0.329 0.000 1.008 253 A HN 0.461 nan 8.150 nan 0.000 0.497 254 Q N 0.137 119.884 119.800 -0.088 0.000 2.477 254 Q HA 0.008 4.348 4.340 0.001 0.000 0.252 254 Q C 1.464 177.144 176.000 -0.532 0.000 0.869 254 Q CA 1.636 57.159 55.803 -0.467 0.000 0.969 254 Q CB -0.050 28.111 28.738 -0.960 0.000 1.144 254 Q HN 0.997 nan 8.270 nan 0.000 0.577 255 T N -1.824 112.542 114.554 -0.313 0.000 3.176 255 T HA 0.414 4.765 4.350 0.001 0.000 0.263 255 T C 0.604 175.244 174.700 -0.101 0.000 1.021 255 T CA -0.152 61.799 62.100 -0.248 0.000 0.905 255 T CB -0.154 68.606 68.868 -0.180 0.000 1.057 255 T HN -0.090 nan 8.240 nan 0.000 0.558 256 L N 3.168 124.341 121.223 -0.085 0.000 2.307 256 L HA 0.450 4.790 4.340 0.001 0.000 0.282 256 L C 0.931 177.746 176.870 -0.092 0.000 1.051 256 L CA -0.928 53.850 54.840 -0.103 0.000 0.804 256 L CB 1.504 43.487 42.059 -0.127 0.000 1.197 256 L HN 0.338 nan 8.230 nan 0.000 0.431 257 T N -2.318 112.184 114.554 -0.086 0.000 2.868 257 T HA 0.011 4.361 4.350 0.001 0.000 0.292 257 T C 0.768 175.439 174.700 -0.049 0.000 1.028 257 T CA -0.600 61.454 62.100 -0.075 0.000 1.059 257 T CB 1.311 70.139 68.868 -0.067 0.000 0.991 257 T HN 0.657 nan 8.240 nan 0.000 0.531 258 D N 0.698 121.064 120.400 -0.058 0.000 2.158 258 D HA -0.140 4.500 4.640 0.001 0.000 0.197 258 D C 1.971 178.275 176.300 0.007 0.000 0.995 258 D CA 1.540 55.519 54.000 -0.035 0.000 0.846 258 D CB -0.061 40.700 40.800 -0.064 0.000 0.941 258 D HN 0.679 nan 8.370 nan 0.000 0.456 259 K N -0.110 120.275 120.400 -0.024 0.000 2.009 259 K HA -0.167 4.154 4.320 0.001 0.000 0.210 259 K C 2.191 178.763 176.600 -0.047 0.000 1.049 259 K CA 1.586 57.854 56.287 -0.031 0.000 0.929 259 K CB -0.064 32.411 32.500 -0.040 0.000 0.714 259 K HN 0.282 nan 8.250 nan 0.000 0.440 260 E N -0.622 119.539 120.200 -0.065 0.000 2.150 260 E HA -0.206 4.144 4.350 0.001 0.000 0.193 260 E C 1.806 178.310 176.600 -0.160 0.000 0.985 260 E CA 0.943 57.270 56.400 -0.121 0.000 0.814 260 E CB -0.127 29.485 29.700 -0.147 0.000 0.752 260 E HN 0.326 nan 8.360 nan 0.000 0.466 261 Y N 1.854 122.028 120.300 -0.210 0.000 2.181 261 Y HA -0.256 4.295 4.550 0.001 0.000 0.288 261 Y C 2.260 178.044 175.900 -0.193 0.000 1.146 261 Y CA 1.493 59.458 58.100 -0.224 0.000 1.164 261 Y CB 0.192 38.545 38.460 -0.178 0.000 0.982 261 Y HN -0.042 nan 8.280 nan 0.000 0.515 262 Q N 0.219 120.017 119.800 -0.002 0.000 2.119 262 Q HA -0.143 4.198 4.340 0.001 0.000 0.201 262 Q C 2.453 178.373 176.000 -0.134 0.000 0.972 262 Q CA 1.755 57.535 55.803 -0.038 0.000 0.847 262 Q CB -0.513 28.230 28.738 0.008 0.000 0.903 262 Q HN 0.607 nan 8.270 nan 0.000 0.433 263 I N 0.460 120.938 120.570 -0.152 0.000 2.163 263 I HA -0.301 3.870 4.170 0.001 0.000 0.243 263 I C 2.541 178.505 176.117 -0.254 0.000 1.085 263 I CA 1.236 62.438 61.300 -0.163 0.000 1.347 263 I CB -0.253 37.658 38.000 -0.148 0.000 1.044 263 I HN 0.211 nan 8.210 nan 0.000 0.408 264 M N 0.351 119.698 119.600 -0.422 0.000 2.159 264 M HA -0.240 4.241 4.480 0.001 0.000 0.263 264 M C 2.493 178.459 176.300 -0.556 0.000 1.063 264 M CA 1.664 56.544 55.300 -0.699 0.000 1.110 264 M CB -0.133 31.921 32.600 -0.911 0.000 1.374 264 M HN 0.076 nan 8.290 nan 0.000 0.411 265 R N 0.145 120.364 120.500 -0.469 0.000 2.066 265 R HA -0.137 4.204 4.340 0.001 0.000 0.232 265 R C 1.631 177.843 176.300 -0.146 0.000 1.131 265 R CA 2.331 58.244 56.100 -0.311 0.000 0.955 265 R CB -0.423 29.728 30.300 -0.248 0.000 0.851 265 R HN 0.554 nan 8.270 nan 0.000 0.432 266 N N -0.038 118.588 118.700 -0.122 0.000 2.120 266 N HA -0.169 4.571 4.740 0.001 0.000 0.188 266 N C 1.801 177.299 175.510 -0.020 0.000 1.024 266 N CA 1.062 54.078 53.050 -0.056 0.000 0.852 266 N CB -0.159 38.298 38.487 -0.050 0.000 1.003 266 N HN 0.306 nan 8.380 nan 0.000 0.424 267 A N 0.789 123.595 122.820 -0.024 0.000 1.933 267 A HA -0.120 4.201 4.320 0.001 0.000 0.218 267 A C 2.323 180.020 177.584 0.189 0.000 1.175 267 A CA 1.457 53.547 52.037 0.088 0.000 0.628 267 A CB -0.506 18.580 19.000 0.144 0.000 0.814 267 A HN 0.201 nan 8.150 nan 0.000 0.444 268 S N -0.071 115.747 115.700 0.198 0.000 2.368 268 S HA -0.165 4.305 4.470 0.001 0.000 0.225 268 S C 1.992 176.654 174.600 0.104 0.000 1.030 268 S CA 1.797 60.135 58.200 0.230 0.000 0.999 268 S CB -0.427 62.881 63.200 0.181 0.000 0.844 268 S HN 0.597 nan 8.310 nan 0.000 0.459 269 M N 1.108 120.739 119.600 0.052 0.000 2.229 269 M HA -0.029 4.451 4.480 0.001 0.000 0.264 269 M C 2.472 178.791 176.300 0.032 0.000 1.063 269 M CA 1.267 56.586 55.300 0.032 0.000 1.114 269 M CB -0.588 32.020 32.600 0.013 0.000 1.387 269 M HN 0.401 nan 8.290 nan 0.000 0.420 270 A N -0.148 122.694 122.820 0.036 0.000 1.968 270 A HA -0.035 4.285 4.320 0.001 0.000 0.217 270 A C 2.240 179.836 177.584 0.021 0.000 1.169 270 A CA 1.050 53.101 52.037 0.023 0.000 0.638 270 A CB -0.709 18.302 19.000 0.020 0.000 0.812 270 A HN 0.281 nan 8.150 nan 0.000 0.446 271 V N -0.388 119.554 119.914 0.046 0.000 2.307 271 V HA -0.217 3.903 4.120 0.001 0.000 0.245 271 V C 2.490 178.610 176.094 0.045 0.000 1.045 271 V CA 1.887 64.212 62.300 0.042 0.000 1.024 271 V CB -0.688 31.189 31.823 0.089 0.000 0.651 271 V HN 0.496 nan 8.190 nan 0.000 0.449 272 L N -0.455 120.798 121.223 0.049 0.000 2.046 272 L HA -0.117 4.224 4.340 0.001 0.000 0.208 272 L C 2.564 179.451 176.870 0.029 0.000 1.077 272 L CA 1.844 56.710 54.840 0.042 0.000 0.747 272 L CB -0.665 41.416 42.059 0.038 0.000 0.896 272 L HN 0.187 nan 8.230 nan 0.000 0.432 273 R N -0.942 119.571 120.500 0.021 0.000 2.115 273 R HA -0.182 4.158 4.340 0.001 0.000 0.230 273 R C 2.186 178.489 176.300 0.005 0.000 1.111 273 R CA 1.117 57.225 56.100 0.013 0.000 0.976 273 R CB -0.150 30.157 30.300 0.011 0.000 0.870 273 R HN 0.252 nan 8.270 nan 0.000 0.445 274 E N 0.759 120.957 120.200 -0.004 0.000 2.076 274 E HA -0.106 4.245 4.350 0.001 0.000 0.190 274 E C 1.508 178.099 176.600 -0.016 0.000 0.979 274 E CA 1.067 57.453 56.400 -0.023 0.000 0.807 274 E CB -0.051 29.615 29.700 -0.056 0.000 0.761 274 E HN 0.082 nan 8.360 nan 0.000 0.454 275 I N 0.078 120.650 120.570 0.004 0.000 2.315 275 I HA 0.046 4.217 4.170 0.001 0.000 0.248 275 I C 1.646 177.778 176.117 0.026 0.000 1.117 275 I CA 1.662 62.979 61.300 0.029 0.000 1.404 275 I CB -0.285 37.763 38.000 0.079 0.000 1.071 275 I HN 0.398 nan 8.210 nan 0.000 0.419 276 G N -0.121 108.692 108.800 0.022 0.000 2.145 276 G HA2 -0.149 3.811 3.960 0.001 0.000 0.176 276 G HA3 -0.149 3.811 3.960 0.001 0.000 0.176 276 G C 0.002 174.916 174.900 0.024 0.000 1.013 276 G CA -0.115 44.998 45.100 0.020 0.000 0.689 276 G HN 0.120 nan 8.290 nan 0.000 0.506 277 V N 0.355 120.285 119.914 0.027 0.000 2.408 277 V HA 0.443 4.564 4.120 0.001 0.000 0.267 277 V C 1.067 177.178 176.094 0.028 0.000 1.047 277 V CA 0.496 62.812 62.300 0.028 0.000 0.937 277 V CB 1.393 33.233 31.823 0.030 0.000 0.999 277 V HN 0.476 nan 8.190 nan 0.000 0.472 278 E N 2.136 122.353 120.200 0.028 0.000 2.514 278 E HA 0.074 4.425 4.350 0.001 0.000 0.215 278 E C 0.589 177.210 176.600 0.036 0.000 0.946 278 E CA 0.424 56.842 56.400 0.029 0.000 1.038 278 E CB 0.922 30.637 29.700 0.025 0.000 1.069 278 E HN 0.832 nan 8.360 nan 0.000 0.503 279 T N -1.722 112.853 114.554 0.036 0.000 3.658 279 T HA 0.663 5.014 4.350 0.001 0.000 0.245 279 T C 0.062 174.790 174.700 0.047 0.000 1.292 279 T CA -0.239 61.887 62.100 0.044 0.000 1.598 279 T CB 0.900 69.790 68.868 0.038 0.000 0.861 279 T HN 0.144 nan 8.240 nan 0.000 0.663 280 G N -0.017 108.814 108.800 0.052 0.000 2.360 280 G HA2 0.587 4.548 3.960 0.001 0.000 0.276 280 G HA3 0.587 4.548 3.960 0.001 0.000 0.276 280 G C -0.547 174.384 174.900 0.052 0.000 1.256 280 G CA -0.197 44.936 45.100 0.055 0.000 0.890 280 G HN 0.718 nan 8.290 nan 0.000 0.486 281 G N -1.085 107.746 108.800 0.051 0.000 2.471 281 G HA2 0.703 4.663 3.960 0.001 0.000 0.332 281 G HA3 0.703 4.663 3.960 0.001 0.000 0.332 281 G C -0.690 174.231 174.900 0.035 0.000 1.176 281 G CA 0.230 45.354 45.100 0.040 0.000 0.949 281 G HN 1.288 nan 8.290 nan 0.000 0.488 282 S N -0.688 115.028 115.700 0.026 0.000 2.543 282 S HA 0.335 4.806 4.470 0.001 0.000 0.274 282 S C -1.009 173.602 174.600 0.018 0.000 1.149 282 S CA -0.887 57.326 58.200 0.022 0.000 0.866 282 S CB 1.833 65.045 63.200 0.019 0.000 1.111 282 S HN 0.792 nan 8.310 nan 0.000 0.457 283 N N 1.459 120.164 118.700 0.009 0.000 2.443 283 N HA 0.605 5.345 4.740 0.001 0.000 0.295 283 N C -1.522 173.972 175.510 -0.027 0.000 1.076 283 N CA -0.222 52.831 53.050 0.005 0.000 0.919 283 N CB 1.310 39.803 38.487 0.010 0.000 1.176 283 N HN 0.368 nan 8.380 nan 0.000 0.487 284 V N 2.905 122.809 119.914 -0.016 0.000 2.525 284 V HA 0.313 4.434 4.120 0.001 0.000 0.299 284 V C -0.507 175.480 176.094 -0.178 0.000 1.034 284 V CA -0.776 61.455 62.300 -0.114 0.000 0.863 284 V CB 1.636 33.432 31.823 -0.044 0.000 0.999 284 V HN 0.656 nan 8.190 nan 0.000 0.423 285 Q N 3.511 123.095 119.800 -0.361 0.000 2.274 285 Q HA 0.772 5.112 4.340 0.001 0.000 0.260 285 Q C -1.592 174.100 176.000 -0.513 0.000 0.974 285 Q CA -0.354 55.298 55.803 -0.252 0.000 0.876 285 Q CB 2.626 31.264 28.738 -0.166 0.000 1.297 285 Q HN 0.652 nan 8.270 nan 0.000 0.446 286 F N -0.047 119.964 119.950 0.101 0.000 2.629 286 F HA 0.750 5.277 4.527 0.001 0.000 0.316 286 F C -0.435 175.490 175.800 0.208 0.000 1.081 286 F CA -1.091 56.994 58.000 0.143 0.000 0.954 286 F CB 1.754 40.836 39.000 0.137 0.000 1.337 286 F HN 0.514 nan 8.300 nan 0.000 0.474 287 A N 1.104 124.201 122.820 0.460 0.000 2.355 287 A HA 0.860 5.181 4.320 0.001 0.000 0.317 287 A C -1.682 176.252 177.584 0.583 0.000 1.094 287 A CA -0.717 51.612 52.037 0.487 0.000 0.764 287 A CB 1.445 20.693 19.000 0.413 0.000 1.230 287 A HN 0.531 nan 8.150 nan 0.000 0.448 288 V N 2.771 122.993 119.914 0.513 0.000 2.531 288 V HA 0.308 4.428 4.120 0.001 0.000 0.301 288 V C -0.388 175.580 176.094 -0.211 0.000 1.034 288 V CA -0.944 61.484 62.300 0.214 0.000 0.865 288 V CB 1.934 33.879 31.823 0.204 0.000 0.995 288 V HN 0.910 nan 8.190 nan 0.000 0.424 289 N N 7.166 125.379 118.700 -0.811 0.000 2.401 289 N HA 0.248 4.989 4.740 0.001 0.000 0.255 289 N C -1.425 173.764 175.510 -0.536 0.000 1.110 289 N CA -1.956 50.288 53.050 -1.343 0.000 0.949 289 N CB 1.823 39.339 38.487 -1.620 0.000 1.110 289 N HN 0.298 nan 8.380 nan 0.000 0.490 290 P HA -0.120 nan 4.420 nan 0.000 0.223 290 P C 0.462 177.680 177.300 -0.135 0.000 1.144 290 P CA 1.274 64.293 63.100 -0.135 0.000 0.783 290 P CB 0.460 32.147 31.700 -0.020 0.000 0.771 291 K N -0.377 119.915 120.400 -0.180 0.000 2.305 291 K HA -0.014 4.306 4.320 0.001 0.000 0.199 291 K C 0.966 177.498 176.600 -0.113 0.000 1.047 291 K CA 1.090 57.306 56.287 -0.117 0.000 0.976 291 K CB -0.032 32.418 32.500 -0.084 0.000 0.765 291 K HN 0.247 nan 8.250 nan 0.000 0.474 292 N N -2.532 116.076 118.700 -0.154 0.000 2.039 292 N HA 0.074 4.815 4.740 0.001 0.000 0.228 292 N C 0.615 176.055 175.510 -0.116 0.000 1.369 292 N CA 0.359 53.342 53.050 -0.112 0.000 0.806 292 N CB 0.643 39.077 38.487 -0.088 0.000 1.190 292 N HN 0.034 nan 8.380 nan 0.000 0.506 293 G N 1.026 109.734 108.800 -0.153 0.000 2.189 293 G HA2 -0.408 3.553 3.960 0.001 0.000 0.267 293 G HA3 -0.408 3.553 3.960 0.001 0.000 0.267 293 G C 0.036 174.867 174.900 -0.116 0.000 0.975 293 G CA 0.306 45.328 45.100 -0.130 0.000 0.644 293 G HN 0.660 nan 8.290 nan 0.000 0.537 294 R N -0.051 120.369 120.500 -0.135 0.000 2.486 294 R HA 0.279 4.619 4.340 0.001 0.000 0.303 294 R C 0.077 176.413 176.300 0.059 0.000 0.958 294 R CA -0.175 55.907 56.100 -0.031 0.000 1.077 294 R CB -0.009 30.294 30.300 0.006 0.000 0.921 294 R HN 0.340 nan 8.270 nan 0.000 0.406 295 L N 6.558 127.849 121.223 0.112 0.000 2.295 295 L HA 0.484 4.824 4.340 0.001 0.000 0.285 295 L C -0.865 176.171 176.870 0.277 0.000 1.035 295 L CA -0.135 54.810 54.840 0.176 0.000 0.806 295 L CB 1.302 43.395 42.059 0.055 0.000 1.214 295 L HN 0.597 nan 8.230 nan 0.000 0.426 296 I N 5.135 125.927 120.570 0.370 0.000 2.533 296 I HA 0.365 4.535 4.170 0.001 0.000 0.290 296 I C -0.782 175.508 176.117 0.288 0.000 1.056 296 I CA -0.957 60.520 61.300 0.296 0.000 1.057 296 I CB 2.260 40.407 38.000 0.244 0.000 1.240 296 I HN 0.244 nan 8.210 nan 0.000 0.423 297 V N 6.379 126.404 119.914 0.184 0.000 2.546 297 V HA 0.208 4.328 4.120 0.001 0.000 0.284 297 V C 0.843 176.952 176.094 0.025 0.000 1.050 297 V CA -0.218 62.101 62.300 0.032 0.000 0.981 297 V CB 1.523 33.361 31.823 0.025 0.000 0.990 297 V HN 0.568 nan 8.190 nan 0.000 0.474 298 I N 2.407 122.918 120.570 -0.098 0.000 2.962 298 I HA 0.251 4.422 4.170 0.001 0.000 0.246 298 I C 0.903 176.903 176.117 -0.194 0.000 1.091 298 I CA 0.917 62.159 61.300 -0.097 0.000 1.469 298 I CB -0.224 37.707 38.000 -0.115 0.000 1.324 298 I HN 0.999 nan 8.210 nan 0.000 0.461 299 E N 0.795 120.781 120.200 -0.357 0.000 2.432 299 E HA 0.507 4.858 4.350 0.001 0.000 0.279 299 E C -0.942 175.290 176.600 -0.613 0.000 1.099 299 E CA -0.896 55.075 56.400 -0.715 0.000 0.859 299 E CB 1.825 31.222 29.700 -0.505 0.000 1.402 299 E HN 0.043 nan 8.360 nan 0.000 0.451 300 M N 0.834 120.005 119.600 -0.714 0.000 2.378 300 M HA 0.581 5.061 4.480 0.001 0.000 0.289 300 M C -2.107 174.037 176.300 -0.260 0.000 1.136 300 M CA -0.464 54.640 55.300 -0.327 0.000 0.917 300 M CB 2.364 34.916 32.600 -0.080 0.000 1.669 300 M HN 0.373 nan 8.290 nan 0.000 0.461 301 N N 4.347 122.960 118.700 -0.145 0.000 2.446 301 N HA 0.398 5.138 4.740 0.001 0.000 0.265 301 N C -2.517 172.962 175.510 -0.051 0.000 0.975 301 N CA -1.269 51.718 53.050 -0.105 0.000 0.928 301 N CB 1.748 40.197 38.487 -0.062 0.000 1.160 301 N HN 0.566 nan 8.380 nan 0.000 0.495 302 P HA 0.015 nan 4.420 nan 0.000 0.269 302 P C -0.432 176.868 177.300 -0.000 0.000 1.601 302 P CA 0.454 63.542 63.100 -0.020 0.000 0.831 302 P CB -0.078 31.605 31.700 -0.028 0.000 1.688 303 R N -2.590 117.921 120.500 0.017 0.000 2.826 303 R HA 0.508 4.848 4.340 0.001 0.000 0.269 303 R C -0.621 175.735 176.300 0.093 0.000 1.031 303 R CA -1.137 54.991 56.100 0.047 0.000 0.900 303 R CB 0.154 30.472 30.300 0.030 0.000 1.318 303 R HN -0.189 nan 8.270 nan 0.000 0.447 304 V N -0.188 119.811 119.914 0.141 0.000 2.924 304 V HA 0.616 4.737 4.120 0.001 0.000 0.305 304 V C 0.156 176.430 176.094 0.300 0.000 1.073 304 V CA 0.218 62.632 62.300 0.190 0.000 1.098 304 V CB 1.017 32.959 31.823 0.198 0.000 1.000 304 V HN 0.970 nan 8.190 nan 0.000 0.484 305 S N 2.932 118.760 115.700 0.213 0.000 2.903 305 S HA 0.512 4.983 4.470 0.001 0.000 0.314 305 S C 0.730 175.316 174.600 -0.024 0.000 1.177 305 S CA -0.527 57.789 58.200 0.195 0.000 0.859 305 S CB 1.578 64.861 63.200 0.138 0.000 1.265 305 S HN 1.017 nan 8.310 nan 0.000 0.584 306 R N 0.182 120.658 120.500 -0.039 0.000 2.153 306 R HA 0.171 4.512 4.340 0.001 0.000 0.218 306 R C 1.609 177.893 176.300 -0.027 0.000 1.072 306 R CA 1.477 57.513 56.100 -0.106 0.000 0.990 306 R CB -0.783 29.471 30.300 -0.077 0.000 0.889 306 R HN 0.405 nan 8.270 nan 0.000 0.452 307 S N 1.033 116.746 115.700 0.021 0.000 2.414 307 S HA -0.087 4.383 4.470 0.001 0.000 0.227 307 S C 1.962 176.592 174.600 0.050 0.000 1.022 307 S CA 1.173 59.395 58.200 0.037 0.000 0.958 307 S CB 0.046 63.273 63.200 0.045 0.000 0.797 307 S HN 0.646 nan 8.310 nan 0.000 0.493 308 S N 1.892 117.630 115.700 0.063 0.000 2.406 308 S HA 0.100 4.570 4.470 0.001 0.000 0.228 308 S C 2.015 176.696 174.600 0.135 0.000 1.020 308 S CA 0.815 59.071 58.200 0.092 0.000 0.965 308 S CB -0.432 62.829 63.200 0.102 0.000 0.798 308 S HN 0.446 nan 8.310 nan 0.000 0.488 309 A N 1.912 124.803 122.820 0.118 0.000 1.898 309 A HA 0.125 4.446 4.320 0.001 0.000 0.216 309 A C 2.230 179.830 177.584 0.027 0.000 1.181 309 A CA 1.490 53.606 52.037 0.132 0.000 0.620 309 A CB -0.924 18.095 19.000 0.032 0.000 0.819 309 A HN 0.555 nan 8.150 nan 0.000 0.442 310 L N -0.092 121.142 121.223 0.017 0.000 2.017 310 L HA -0.069 4.272 4.340 0.001 0.000 0.208 310 L C 2.635 179.532 176.870 0.045 0.000 1.073 310 L CA 2.303 57.154 54.840 0.017 0.000 0.745 310 L CB -0.843 41.227 42.059 0.019 0.000 0.894 310 L HN 0.333 nan 8.230 nan 0.000 0.432 311 A N -1.250 121.611 122.820 0.068 0.000 1.908 311 A HA -0.204 4.117 4.320 0.001 0.000 0.218 311 A C 2.363 180.028 177.584 0.135 0.000 1.181 311 A CA 2.108 54.193 52.037 0.081 0.000 0.627 311 A CB -1.038 17.999 19.000 0.061 0.000 0.818 311 A HN 0.569 nan 8.150 nan 0.000 0.445 312 S N -0.129 115.685 115.700 0.191 0.000 2.348 312 S HA -0.144 4.327 4.470 0.001 0.000 0.221 312 S C 2.053 176.829 174.600 0.294 0.000 1.033 312 S CA 1.610 59.990 58.200 0.299 0.000 1.010 312 S CB -0.252 63.191 63.200 0.406 0.000 0.891 312 S HN 0.448 nan 8.310 nan 0.000 0.442 313 K N 2.037 122.546 120.400 0.182 0.000 2.057 313 K HA 0.143 4.464 4.320 0.001 0.000 0.207 313 K C 2.207 178.892 176.600 0.142 0.000 1.049 313 K CA 1.356 57.747 56.287 0.173 0.000 0.931 313 K CB -1.130 31.380 32.500 0.017 0.000 0.714 313 K HN 0.342 nan 8.250 nan 0.000 0.440 314 A N 0.312 123.172 122.820 0.067 0.000 1.933 314 A HA -0.155 4.166 4.320 0.001 0.000 0.218 314 A C 2.178 179.856 177.584 0.157 0.000 1.175 314 A CA 2.536 54.606 52.037 0.056 0.000 0.628 314 A CB -0.761 18.276 19.000 0.062 0.000 0.814 314 A HN 0.510 nan 8.150 nan 0.000 0.444 315 T N -5.860 108.807 114.554 0.187 0.000 3.023 315 T HA 0.425 4.776 4.350 0.001 0.000 0.249 315 T C 1.457 176.331 174.700 0.289 0.000 1.050 315 T CA 1.126 63.353 62.100 0.212 0.000 1.088 315 T CB 0.335 69.310 68.868 0.179 0.000 0.946 315 T HN 1.715 nan 8.240 nan 0.000 0.480 316 G N 1.109 110.134 108.800 0.376 0.000 2.157 316 G HA2 -0.196 3.765 3.960 0.001 0.000 0.239 316 G HA3 -0.196 3.765 3.960 0.001 0.000 0.239 316 G C -0.228 174.950 174.900 0.464 0.000 0.982 316 G CA -0.062 45.311 45.100 0.454 0.000 0.650 316 G HN 0.614 nan 8.290 nan 0.000 0.527 317 F N 3.559 123.676 119.950 0.278 0.000 2.391 317 F HA 0.595 5.122 4.527 0.001 0.000 0.359 317 F C -1.886 174.063 175.800 0.248 0.000 1.122 317 F CA -3.186 54.955 58.000 0.234 0.000 1.120 317 F CB 1.591 40.657 39.000 0.109 0.000 1.142 317 F HN -0.067 nan 8.300 nan 0.000 0.483 318 P HA 0.135 nan 4.420 nan 0.000 0.231 318 P C 1.265 178.737 177.300 0.286 0.000 1.811 318 P CA 0.287 63.557 63.100 0.284 0.000 1.051 318 P CB -0.212 31.580 31.700 0.154 0.000 1.951 319 I N 1.479 122.315 120.570 0.442 0.000 2.091 319 I HA -0.377 3.794 4.170 0.001 0.000 0.240 319 I C 2.335 178.565 176.117 0.187 0.000 1.046 319 I CA 2.157 63.670 61.300 0.355 0.000 1.306 319 I CB -1.031 37.107 38.000 0.230 0.000 1.018 319 I HN 0.172 nan 8.210 nan 0.000 0.404 320 A N 0.250 123.122 122.820 0.087 0.000 1.933 320 A HA -0.239 4.082 4.320 0.001 0.000 0.218 320 A C 2.366 179.946 177.584 -0.007 0.000 1.175 320 A CA 1.846 53.889 52.037 0.010 0.000 0.628 320 A CB -0.499 18.445 19.000 -0.094 0.000 0.814 320 A HN 0.360 nan 8.150 nan 0.000 0.444 321 K N -0.665 119.721 120.400 -0.025 0.000 2.025 321 K HA -0.059 4.261 4.320 0.001 0.000 0.207 321 K C 1.906 178.507 176.600 0.002 0.000 1.049 321 K CA 1.424 57.691 56.287 -0.032 0.000 0.933 321 K CB -0.295 32.179 32.500 -0.044 0.000 0.714 321 K HN 0.260 nan 8.250 nan 0.000 0.438 322 V N 1.045 120.985 119.914 0.044 0.000 2.343 322 V HA -0.255 3.865 4.120 0.001 0.000 0.247 322 V C 2.224 178.372 176.094 0.090 0.000 1.051 322 V CA 2.074 64.416 62.300 0.070 0.000 1.036 322 V CB -0.514 31.418 31.823 0.181 0.000 0.654 322 V HN 0.409 nan 8.190 nan 0.000 0.451 323 A N -0.365 122.515 122.820 0.101 0.000 2.015 323 A HA -0.022 4.298 4.320 0.001 0.000 0.219 323 A C 2.379 179.995 177.584 0.054 0.000 1.163 323 A CA 1.759 53.846 52.037 0.084 0.000 0.646 323 A CB -0.566 18.482 19.000 0.081 0.000 0.806 323 A HN 0.557 nan 8.150 nan 0.000 0.448 324 A N 0.058 122.897 122.820 0.031 0.000 1.898 324 A HA -0.129 4.192 4.320 0.001 0.000 0.216 324 A C 2.101 179.698 177.584 0.022 0.000 1.181 324 A CA 1.650 53.692 52.037 0.009 0.000 0.620 324 A CB -0.369 18.625 19.000 -0.010 0.000 0.819 324 A HN 0.504 nan 8.150 nan 0.000 0.442 325 K N -0.915 119.512 120.400 0.045 0.000 2.148 325 K HA -0.045 4.276 4.320 0.001 0.000 0.204 325 K C 1.649 178.386 176.600 0.229 0.000 1.050 325 K CA 0.966 57.325 56.287 0.119 0.000 0.942 325 K CB -0.270 32.198 32.500 -0.053 0.000 0.724 325 K HN 0.298 nan 8.250 nan 0.000 0.446 326 L N 0.707 122.016 121.223 0.144 0.000 2.141 326 L HA -0.064 4.276 4.340 0.001 0.000 0.209 326 L C 2.203 179.130 176.870 0.096 0.000 1.094 326 L CA 1.336 56.264 54.840 0.146 0.000 0.763 326 L CB -0.722 41.405 42.059 0.113 0.000 0.908 326 L HN 0.094 nan 8.230 nan 0.000 0.437 327 A N -0.830 122.025 122.820 0.058 0.000 2.121 327 A HA -0.043 4.278 4.320 0.001 0.000 0.218 327 A C 1.535 179.112 177.584 -0.011 0.000 1.154 327 A CA 1.312 53.359 52.037 0.016 0.000 0.679 327 A CB -0.625 18.370 19.000 -0.007 0.000 0.795 327 A HN 0.288 nan 8.150 nan 0.000 0.458 328 V N -4.659 115.259 119.914 0.006 0.000 2.982 328 V HA 0.646 4.766 4.120 0.001 0.000 0.368 328 V C 0.974 177.056 176.094 -0.020 0.000 1.350 328 V CA 0.376 62.650 62.300 -0.043 0.000 1.251 328 V CB -0.869 30.820 31.823 -0.224 0.000 1.284 328 V HN 1.177 nan 8.190 nan 0.000 0.533 329 G N -0.193 108.601 108.800 -0.011 0.000 2.308 329 G HA2 -0.285 3.676 3.960 0.001 0.000 0.221 329 G HA3 -0.285 3.676 3.960 0.001 0.000 0.221 329 G C -0.003 174.848 174.900 -0.082 0.000 1.032 329 G CA 0.049 45.103 45.100 -0.077 0.000 0.623 329 G HN 0.563 nan 8.290 nan 0.000 0.506 330 Y N 2.807 123.140 120.300 0.054 0.000 2.652 330 Y HA 0.379 4.930 4.550 0.001 0.000 0.344 330 Y C 1.584 177.515 175.900 0.051 0.000 1.254 330 Y CA 1.068 59.200 58.100 0.055 0.000 1.480 330 Y CB 0.653 39.148 38.460 0.058 0.000 1.345 330 Y HN 0.341 nan 8.280 nan 0.000 0.617 331 T N -0.575 114.131 114.554 0.253 0.000 2.940 331 T HA 0.387 4.737 4.350 0.001 0.000 0.288 331 T C 0.884 175.682 174.700 0.162 0.000 1.033 331 T CA -0.978 61.221 62.100 0.164 0.000 1.033 331 T CB 1.171 70.106 68.868 0.111 0.000 1.079 331 T HN 0.634 nan 8.240 nan 0.000 0.496 332 L N 0.970 122.276 121.223 0.138 0.000 2.013 332 L HA -0.141 4.200 4.340 0.001 0.000 0.212 332 L C 2.681 179.628 176.870 0.128 0.000 1.073 332 L CA 1.979 56.905 54.840 0.145 0.000 0.753 332 L CB -0.686 41.468 42.059 0.159 0.000 0.890 332 L HN 0.846 nan 8.230 nan 0.000 0.432 333 D N -0.134 120.334 120.400 0.113 0.000 2.218 333 D HA -0.229 4.412 4.640 0.001 0.000 0.204 333 D C 1.572 177.920 176.300 0.079 0.000 0.976 333 D CA 1.291 55.345 54.000 0.090 0.000 0.853 333 D CB -0.342 40.504 40.800 0.077 0.000 0.939 333 D HN 0.475 nan 8.370 nan 0.000 0.481 334 E N -0.233 120.030 120.200 0.104 0.000 2.371 334 E HA 0.142 4.492 4.350 0.001 0.000 0.194 334 E C 0.532 177.173 176.600 0.068 0.000 1.012 334 E CA -0.027 56.441 56.400 0.114 0.000 0.860 334 E CB 0.323 30.150 29.700 0.212 0.000 0.811 334 E HN 0.336 nan 8.360 nan 0.000 0.502 335 L N 1.234 122.479 121.223 0.036 0.000 2.379 335 L HA 0.305 4.645 4.340 0.001 0.000 0.269 335 L C 0.218 177.066 176.870 -0.036 0.000 1.084 335 L CA -0.690 54.124 54.840 -0.042 0.000 0.802 335 L CB 0.799 42.826 42.059 -0.055 0.000 1.175 335 L HN -0.017 nan 8.230 nan 0.000 0.448 336 M N 1.552 121.110 119.600 -0.069 0.000 2.423 336 M HA 0.234 4.715 4.480 0.001 0.000 0.335 336 M C -0.349 175.892 176.300 -0.099 0.000 1.177 336 M CA -0.745 54.508 55.300 -0.079 0.000 1.038 336 M CB 1.075 33.627 32.600 -0.079 0.000 1.641 336 M HN 0.394 nan 8.290 nan 0.000 0.455 337 N N 2.081 120.707 118.700 -0.123 0.000 2.399 337 N HA 0.010 4.751 4.740 0.001 0.000 0.259 337 N C 0.371 175.809 175.510 -0.120 0.000 1.160 337 N CA 0.389 53.360 53.050 -0.130 0.000 0.946 337 N CB 0.317 38.692 38.487 -0.187 0.000 1.156 337 N HN 0.412 nan 8.380 nan 0.000 0.489 338 D N 2.599 122.941 120.400 -0.095 0.000 2.321 338 D HA -0.278 4.363 4.640 0.001 0.000 0.194 338 D C 1.729 177.960 176.300 -0.115 0.000 1.013 338 D CA 2.084 56.049 54.000 -0.057 0.000 0.863 338 D CB -0.261 40.574 40.800 0.058 0.000 1.011 338 D HN 0.803 nan 8.370 nan 0.000 0.457 339 I N -0.859 119.601 120.570 -0.184 0.000 2.916 339 I HA -0.090 4.080 4.170 0.001 0.000 0.267 339 I C 0.800 176.859 176.117 -0.098 0.000 1.263 339 I CA 1.387 62.567 61.300 -0.200 0.000 1.471 339 I CB -0.460 37.367 38.000 -0.290 0.000 1.089 339 I HN -0.057 nan 8.210 nan 0.000 0.468 340 T N -1.816 112.680 114.554 -0.096 0.000 3.264 340 T HA 0.516 4.866 4.350 0.001 0.000 0.257 340 T C 1.329 175.976 174.700 -0.088 0.000 0.976 340 T CA 0.038 62.088 62.100 -0.083 0.000 0.908 340 T CB -0.011 68.761 68.868 -0.160 0.000 1.082 340 T HN 0.639 nan 8.240 nan 0.000 0.567 341 G N 1.043 109.799 108.800 -0.073 0.000 2.166 341 G HA2 -0.034 3.926 3.960 0.001 0.000 0.260 341 G HA3 -0.034 3.926 3.960 0.001 0.000 0.260 341 G C 1.072 175.930 174.900 -0.070 0.000 0.986 341 G CA 0.184 45.249 45.100 -0.058 0.000 0.683 341 G HN 1.842 nan 8.290 nan 0.000 0.527 342 G N -1.291 107.451 108.800 -0.098 0.000 2.198 342 G HA2 -0.299 3.662 3.960 0.001 0.000 0.260 342 G HA3 -0.299 3.662 3.960 0.001 0.000 0.260 342 G C 0.903 175.735 174.900 -0.115 0.000 1.025 342 G CA 1.276 46.316 45.100 -0.101 0.000 0.769 342 G HN 0.949 nan 8.290 nan 0.000 0.507 343 R N -0.134 120.278 120.500 -0.147 0.000 2.127 343 R HA 0.214 4.554 4.340 0.001 0.000 0.217 343 R C 1.982 178.140 176.300 -0.238 0.000 1.074 343 R CA 1.573 57.580 56.100 -0.155 0.000 0.991 343 R CB 0.065 30.288 30.300 -0.128 0.000 0.895 343 R HN 0.650 nan 8.270 nan 0.000 0.450 344 T N -1.307 113.042 114.554 -0.342 0.000 2.945 344 T HA 0.558 4.909 4.350 0.001 0.000 0.286 344 T C -2.701 171.823 174.700 -0.293 0.000 1.025 344 T CA -2.526 59.310 62.100 -0.438 0.000 1.039 344 T CB 2.400 70.780 68.868 -0.813 0.000 1.068 344 T HN -0.206 nan 8.240 nan 0.000 0.497 345 P HA 0.368 nan 4.420 nan 0.000 0.278 345 P C 0.358 177.692 177.300 0.057 0.000 1.258 345 P CA -0.647 62.414 63.100 -0.065 0.000 0.811 345 P CB 0.674 32.373 31.700 -0.001 0.000 1.063 346 A N 0.946 123.845 122.820 0.131 0.000 2.209 346 A HA -0.012 4.309 4.320 0.001 0.000 0.212 346 A C 1.124 178.988 177.584 0.466 0.000 1.158 346 A CA 0.716 52.911 52.037 0.264 0.000 0.742 346 A CB -1.242 17.808 19.000 0.083 0.000 0.790 346 A HN 0.568 nan 8.150 nan 0.000 0.472 347 S N 0.572 116.484 115.700 0.352 0.000 4.087 347 S HA 0.543 5.013 4.470 0.001 0.000 0.213 347 S C -0.342 174.494 174.600 0.393 0.000 1.415 347 S CA -0.571 57.807 58.200 0.296 0.000 0.893 347 S CB -1.360 61.948 63.200 0.180 0.000 1.529 347 S HN 0.764 nan 8.310 nan 0.000 0.457 348 F N -1.736 118.310 119.950 0.160 0.000 2.773 348 F HA 0.653 5.181 4.527 0.001 0.000 0.314 348 F C -1.305 174.573 175.800 0.129 0.000 1.160 348 F CA -1.254 56.821 58.000 0.126 0.000 0.920 348 F CB 0.861 39.928 39.000 0.111 0.000 1.323 348 F HN 0.107 nan 8.300 nan 0.000 0.457 349 E N 2.486 122.594 120.200 -0.153 0.000 2.156 349 E HA 0.403 4.754 4.350 0.001 0.000 0.279 349 E C -2.589 173.881 176.600 -0.216 0.000 0.965 349 E CA -1.970 54.257 56.400 -0.289 0.000 0.789 349 E CB 1.653 31.311 29.700 -0.071 0.000 1.098 349 E HN 0.304 nan 8.360 nan 0.000 0.397 350 P HA 0.014 nan 4.420 nan 0.000 0.272 350 P C -0.844 176.487 177.300 0.052 0.000 1.223 350 P CA -0.090 63.013 63.100 0.005 0.000 0.784 350 P CB 0.796 32.490 31.700 -0.010 0.000 0.923 351 S N 1.618 117.384 115.700 0.110 0.000 2.561 351 S HA 0.704 5.174 4.470 0.001 0.000 0.303 351 S C -0.528 174.029 174.600 -0.070 0.000 1.110 351 S CA -0.769 57.436 58.200 0.009 0.000 1.034 351 S CB -0.098 63.120 63.200 0.030 0.000 1.010 351 S HN 0.348 nan 8.310 nan 0.000 0.482 352 I N 1.865 122.312 120.570 -0.205 0.000 2.603 352 I HA 0.679 4.850 4.170 0.001 0.000 0.300 352 I C -0.711 175.135 176.117 -0.452 0.000 1.017 352 I CA -0.891 60.126 61.300 -0.472 0.000 1.098 352 I CB 2.199 39.699 38.000 -0.833 0.000 1.279 352 I HN 0.529 nan 8.210 nan 0.000 0.437 353 D N 4.857 124.955 120.400 -0.503 0.000 2.894 353 D HA 0.272 4.912 4.640 0.001 0.000 0.273 353 D C -0.598 175.679 176.300 -0.038 0.000 1.328 353 D CA -0.154 53.738 54.000 -0.179 0.000 0.845 353 D CB -0.311 40.485 40.800 -0.005 0.000 1.072 353 D HN 0.762 nan 8.370 nan 0.000 0.484 354 Y N -3.631 116.663 120.300 -0.011 0.000 2.818 354 Y HA 0.625 5.176 4.550 0.001 0.000 0.341 354 Y C -1.750 174.115 175.900 -0.057 0.000 1.283 354 Y CA -1.677 56.391 58.100 -0.052 0.000 1.075 354 Y CB 0.799 39.129 38.460 -0.216 0.000 1.370 354 Y HN -0.218 nan 8.280 nan 0.000 0.448 355 V N 2.241 122.295 119.914 0.232 0.000 2.444 355 V HA 0.550 4.671 4.120 0.001 0.000 0.294 355 V C -0.648 175.530 176.094 0.139 0.000 1.022 355 V CA -0.855 61.546 62.300 0.168 0.000 0.850 355 V CB 1.376 33.303 31.823 0.173 0.000 0.992 355 V HN 0.650 nan 8.190 nan 0.000 0.426 356 V N 3.979 123.969 119.914 0.127 0.000 2.439 356 V HA 0.544 4.665 4.120 0.001 0.000 0.282 356 V C 0.329 176.457 176.094 0.056 0.000 1.039 356 V CA -0.106 62.223 62.300 0.049 0.000 0.913 356 V CB 1.653 33.499 31.823 0.039 0.000 0.983 356 V HN 0.949 nan 8.190 nan 0.000 0.460 357 T N 5.135 119.704 114.554 0.026 0.000 2.861 357 T HA 0.446 4.796 4.350 0.001 0.000 0.287 357 T C -0.559 174.144 174.700 0.005 0.000 1.003 357 T CA -0.692 61.423 62.100 0.025 0.000 0.977 357 T CB 1.641 70.514 68.868 0.009 0.000 0.996 357 T HN 0.669 nan 8.240 nan 0.000 0.448 358 K N 3.712 124.109 120.400 -0.005 0.000 2.345 358 K HA 0.621 4.942 4.320 0.001 0.000 0.255 358 K C -1.403 175.170 176.600 -0.044 0.000 0.934 358 K CA -0.685 55.597 56.287 -0.007 0.000 0.801 358 K CB 1.065 33.570 32.500 0.009 0.000 1.137 358 K HN 0.594 nan 8.250 nan 0.000 0.424 359 I N 6.058 126.599 120.570 -0.048 0.000 2.466 359 I HA 0.329 4.500 4.170 0.001 0.000 0.289 359 I C -2.249 173.832 176.117 -0.061 0.000 1.026 359 I CA -2.559 58.700 61.300 -0.068 0.000 1.078 359 I CB 2.133 40.077 38.000 -0.093 0.000 1.249 359 I HN 0.481 nan 8.210 nan 0.000 0.429 360 P HA 0.225 nan 4.420 nan 0.000 0.274 360 P C -0.962 176.134 177.300 -0.340 0.000 1.237 360 P CA -0.574 62.376 63.100 -0.250 0.000 0.793 360 P CB 1.040 32.524 31.700 -0.359 0.000 0.977 361 R N 1.536 121.771 120.500 -0.443 0.000 2.387 361 R HA 0.597 4.937 4.340 0.001 0.000 0.314 361 R C -1.110 174.893 176.300 -0.495 0.000 0.958 361 R CA -0.536 55.390 56.100 -0.291 0.000 0.846 361 R CB -0.236 29.983 30.300 -0.135 0.000 1.147 361 R HN 0.296 nan 8.270 nan 0.000 0.447 362 F N 1.580 121.534 119.950 0.007 0.000 2.585 362 F HA 0.474 5.002 4.527 0.002 0.000 0.350 362 F C 0.862 176.598 175.800 -0.107 0.000 1.074 362 F CA -0.700 57.233 58.000 -0.112 0.000 1.032 362 F CB 1.638 40.559 39.000 -0.132 0.000 1.330 362 F HN 0.555 nan 8.300 nan 0.000 0.495 363 N N -0.576 118.123 118.700 -0.002 0.000 2.545 363 N HA 0.181 4.922 4.740 0.001 0.000 0.283 363 N C 0.384 175.931 175.510 0.062 0.000 1.596 363 N CA 0.016 53.089 53.050 0.038 0.000 0.862 363 N CB 0.199 38.736 38.487 0.082 0.000 1.422 363 N HN 0.349 nan 8.380 nan 0.000 0.489 364 F N 2.026 122.078 119.950 0.169 0.000 2.154 364 F HA -0.252 4.276 4.527 0.002 0.000 0.301 364 F C 2.780 178.582 175.800 0.003 0.000 1.087 364 F CA 1.256 59.310 58.000 0.091 0.000 1.274 364 F CB -0.181 38.842 39.000 0.039 0.000 1.009 364 F HN 0.325 nan 8.300 nan 0.000 0.485 365 E N 1.353 121.637 120.200 0.141 0.000 2.219 365 E HA -0.263 4.088 4.350 0.001 0.000 0.198 365 E C 1.419 177.943 176.600 -0.126 0.000 0.998 365 E CA 1.580 57.988 56.400 0.012 0.000 0.818 365 E CB -0.766 28.933 29.700 -0.001 0.000 0.741 365 E HN 0.448 nan 8.360 nan 0.000 0.477 366 K N -0.293 119.923 120.400 -0.307 0.000 2.459 366 K HA 0.077 4.397 4.320 0.001 0.000 0.193 366 K C -0.032 175.960 176.600 -1.014 0.000 1.030 366 K CA 0.250 56.120 56.287 -0.694 0.000 1.026 366 K CB 0.136 32.053 32.500 -0.971 0.000 0.809 366 K HN 0.104 nan 8.250 nan 0.000 0.504 367 F N 0.139 120.030 119.950 -0.099 0.000 2.523 367 F HA 0.338 4.866 4.527 0.001 0.000 0.322 367 F C 1.186 176.957 175.800 -0.049 0.000 1.361 367 F CA -0.872 57.059 58.000 -0.114 0.000 1.151 367 F CB 0.371 39.123 39.000 -0.412 0.000 1.391 367 F HN -0.140 nan 8.300 nan 0.000 0.566 368 A N 1.288 124.144 122.820 0.061 0.000 1.906 368 A HA -0.287 4.033 4.320 0.001 0.000 0.222 368 A C 2.497 180.119 177.584 0.062 0.000 1.282 368 A CA 2.555 54.619 52.037 0.045 0.000 0.675 368 A CB -1.279 17.732 19.000 0.017 0.000 0.838 368 A HN 0.709 nan 8.150 nan 0.000 0.469 369 G N -1.123 107.728 108.800 0.084 0.000 2.598 369 G HA2 0.334 4.295 3.960 0.001 0.000 0.215 369 G HA3 0.334 4.295 3.960 0.001 0.000 0.215 369 G C 0.697 175.650 174.900 0.087 0.000 1.131 369 G CA 0.840 45.983 45.100 0.071 0.000 0.785 369 G HN 1.012 nan 8.290 nan 0.000 0.539 370 A N 0.476 123.373 122.820 0.128 0.000 2.445 370 A HA 0.323 4.644 4.320 0.001 0.000 0.242 370 A C 0.608 178.242 177.584 0.083 0.000 1.075 370 A CA -0.477 51.655 52.037 0.159 0.000 0.777 370 A CB 0.200 19.298 19.000 0.163 0.000 1.013 370 A HN 0.258 nan 8.150 nan 0.000 0.493 371 N N 1.357 120.118 118.700 0.103 0.000 2.452 371 N HA -0.012 4.728 4.740 0.001 0.000 0.266 371 N C -0.479 174.976 175.510 -0.092 0.000 1.209 371 N CA 0.215 53.270 53.050 0.008 0.000 0.929 371 N CB 0.727 39.244 38.487 0.050 0.000 1.063 371 N HN 0.603 nan 8.380 nan 0.000 0.472 372 D N 2.238 122.408 120.400 -0.382 0.000 2.427 372 D HA 0.095 4.736 4.640 0.001 0.000 0.224 372 D C -0.142 175.683 176.300 -0.792 0.000 1.157 372 D CA -0.212 53.130 54.000 -1.097 0.000 0.828 372 D CB 0.189 40.306 40.800 -1.139 0.000 0.974 372 D HN 0.170 nan 8.370 nan 0.000 0.498 373 R N 0.648 120.953 120.500 -0.325 0.000 2.428 373 R HA 0.460 4.801 4.340 0.001 0.000 0.294 373 R C 0.169 176.447 176.300 -0.036 0.000 1.000 373 R CA -0.748 55.248 56.100 -0.172 0.000 0.960 373 R CB 1.369 31.609 30.300 -0.100 0.000 1.076 373 R HN 0.171 nan 8.270 nan 0.000 0.475 374 L N 1.033 122.255 121.223 -0.002 0.000 2.349 374 L HA 0.374 4.715 4.340 0.001 0.000 0.275 374 L C 1.174 178.113 176.870 0.114 0.000 1.115 374 L CA 0.007 54.906 54.840 0.099 0.000 0.820 374 L CB 0.953 43.076 42.059 0.107 0.000 1.135 374 L HN 0.584 nan 8.230 nan 0.000 0.445 375 T N -1.173 113.468 114.554 0.145 0.000 2.572 375 T HA 0.200 4.550 4.350 0.001 0.000 0.274 375 T C 0.973 175.758 174.700 0.143 0.000 0.949 375 T CA 0.365 62.542 62.100 0.128 0.000 1.126 375 T CB 1.278 70.213 68.868 0.111 0.000 1.478 375 T HN 0.747 nan 8.240 nan 0.000 0.492 376 T N -0.517 114.106 114.554 0.115 0.000 3.088 376 T HA 0.157 4.508 4.350 0.001 0.000 0.259 376 T C 0.733 175.520 174.700 0.145 0.000 1.122 376 T CA 0.444 62.632 62.100 0.146 0.000 1.095 376 T CB -0.101 68.818 68.868 0.086 0.000 0.930 376 T HN 0.493 nan 8.240 nan 0.000 0.508 377 Q N 1.286 121.123 119.800 0.061 0.000 2.331 377 Q HA 0.380 4.721 4.340 0.001 0.000 0.257 377 Q C -0.576 175.391 176.000 -0.054 0.000 0.957 377 Q CA -0.534 55.250 55.803 -0.031 0.000 0.923 377 Q CB 0.839 29.548 28.738 -0.049 0.000 1.212 377 Q HN 0.421 nan 8.270 nan 0.000 0.443 378 M N 3.795 123.271 119.600 -0.207 0.000 2.248 378 M HA -0.075 4.406 4.480 0.001 0.000 0.343 378 M C 0.492 176.759 176.300 -0.056 0.000 1.243 378 M CA 1.278 56.492 55.300 -0.143 0.000 1.025 378 M CB 0.458 32.883 32.600 -0.292 0.000 1.759 378 M HN 0.597 nan 8.290 nan 0.000 0.452 379 K N 0.242 120.711 120.400 0.116 0.000 2.481 379 K HA 0.102 4.423 4.320 0.001 0.000 0.210 379 K C 0.148 176.850 176.600 0.170 0.000 1.161 379 K CA -0.103 56.291 56.287 0.178 0.000 1.023 379 K CB 0.806 33.582 32.500 0.460 0.000 0.971 379 K HN 0.775 nan 8.250 nan 0.000 0.577 380 S N 0.392 116.125 115.700 0.054 0.000 2.576 380 S HA 0.089 4.560 4.470 0.001 0.000 0.276 380 S C 1.199 175.684 174.600 -0.192 0.000 1.339 380 S CA -0.641 57.364 58.200 -0.324 0.000 1.039 380 S CB 1.525 64.248 63.200 -0.794 0.000 0.902 380 S HN 0.047 nan 8.310 nan 0.000 0.516 381 V N -0.697 119.098 119.914 -0.198 0.000 3.644 381 V HA 0.633 4.753 4.120 0.001 0.000 0.267 381 V C 0.847 176.876 176.094 -0.107 0.000 1.277 381 V CA 0.771 63.011 62.300 -0.100 0.000 1.096 381 V CB -0.860 30.943 31.823 -0.033 0.000 0.828 381 V HN 1.193 nan 8.190 nan 0.000 0.446 382 G N 0.370 109.071 108.800 -0.165 0.000 2.490 382 G HA2 0.633 4.593 3.960 0.001 0.000 0.308 382 G HA3 0.633 4.593 3.960 0.001 0.000 0.308 382 G C -1.702 173.105 174.900 -0.154 0.000 1.286 382 G CA -0.048 44.976 45.100 -0.125 0.000 0.825 382 G HN 0.704 nan 8.290 nan 0.000 0.479 383 E N -2.033 118.107 120.200 -0.099 0.000 2.401 383 E HA 0.580 4.931 4.350 0.001 0.000 0.280 383 E C -2.101 174.479 176.600 -0.033 0.000 1.039 383 E CA -0.922 55.431 56.400 -0.079 0.000 0.814 383 E CB 2.216 31.875 29.700 -0.068 0.000 1.275 383 E HN 0.826 nan 8.360 nan 0.000 0.448 384 V N 2.244 122.151 119.914 -0.012 0.000 2.815 384 V HA 0.710 4.831 4.120 0.001 0.000 0.314 384 V C -0.911 175.228 176.094 0.075 0.000 1.064 384 V CA -0.735 61.581 62.300 0.028 0.000 0.952 384 V CB 1.890 33.722 31.823 0.015 0.000 1.020 384 V HN 0.826 nan 8.190 nan 0.000 0.439 385 M N 5.157 124.871 119.600 0.190 0.000 2.530 385 M HA 0.873 5.354 4.480 0.001 0.000 0.307 385 M C -1.094 175.397 176.300 0.319 0.000 1.161 385 M CA -0.453 54.992 55.300 0.242 0.000 0.903 385 M CB 2.035 34.817 32.600 0.304 0.000 1.711 385 M HN 0.847 nan 8.290 nan 0.000 0.451 386 A N 4.156 127.061 122.820 0.142 0.000 2.556 386 A HA 0.871 5.191 4.320 0.001 0.000 0.294 386 A C -1.738 175.829 177.584 -0.029 0.000 1.091 386 A CA -0.722 51.392 52.037 0.129 0.000 0.704 386 A CB 1.575 20.630 19.000 0.092 0.000 1.300 386 A HN 0.847 nan 8.150 nan 0.000 0.406 387 I N 0.589 121.105 120.570 -0.089 0.000 2.545 387 I HA 0.692 4.863 4.170 0.001 0.000 0.292 387 I C 0.461 176.445 176.117 -0.221 0.000 1.040 387 I CA -0.495 60.596 61.300 -0.349 0.000 1.068 387 I CB 2.535 39.997 38.000 -0.897 0.000 1.251 387 I HN 0.848 nan 8.210 nan 0.000 0.424 388 G N 3.582 112.286 108.800 -0.160 0.000 2.690 388 G HA2 0.383 4.343 3.960 0.001 0.000 0.291 388 G HA3 0.383 4.343 3.960 0.001 0.000 0.291 388 G C 0.010 174.968 174.900 0.097 0.000 1.403 388 G CA -0.539 44.586 45.100 0.042 0.000 0.864 388 G HN 0.451 nan 8.290 nan 0.000 0.480 389 R N -0.770 119.854 120.500 0.206 0.000 2.235 389 R HA 0.052 4.392 4.340 0.001 0.000 0.213 389 R C 0.982 177.379 176.300 0.161 0.000 1.059 389 R CA 1.246 57.478 56.100 0.219 0.000 0.997 389 R CB -0.133 30.299 30.300 0.221 0.000 0.884 389 R HN 0.704 nan 8.270 nan 0.000 0.462 390 T N -4.069 110.567 114.554 0.137 0.000 2.901 390 T HA 0.208 4.558 4.350 0.001 0.000 0.293 390 T C 0.710 175.483 174.700 0.123 0.000 1.084 390 T CA -0.893 61.281 62.100 0.123 0.000 1.008 390 T CB 2.347 71.269 68.868 0.090 0.000 1.170 390 T HN -0.199 nan 8.240 nan 0.000 0.509 391 Q N 0.532 120.421 119.800 0.148 0.000 2.084 391 Q HA -0.126 4.215 4.340 0.001 0.000 0.202 391 Q C 2.225 178.283 176.000 0.096 0.000 0.978 391 Q CA 2.002 57.908 55.803 0.171 0.000 0.844 391 Q CB -0.494 28.390 28.738 0.243 0.000 0.898 391 Q HN 0.802 nan 8.270 nan 0.000 0.426 392 Q N -0.166 119.657 119.800 0.038 0.000 2.096 392 Q HA -0.231 4.110 4.340 0.001 0.000 0.204 392 Q C 2.013 178.007 176.000 -0.010 0.000 0.982 392 Q CA 1.743 57.548 55.803 0.004 0.000 0.850 392 Q CB -0.153 28.564 28.738 -0.035 0.000 0.901 392 Q HN 0.597 nan 8.270 nan 0.000 0.422 393 E N -0.184 120.025 120.200 0.016 0.000 2.072 393 E HA -0.182 4.169 4.350 0.001 0.000 0.191 393 E C 2.052 178.670 176.600 0.030 0.000 0.985 393 E CA 1.185 57.599 56.400 0.023 0.000 0.801 393 E CB -0.070 29.676 29.700 0.076 0.000 0.750 393 E HN 0.151 nan 8.360 nan 0.000 0.452 394 S N 0.051 115.780 115.700 0.048 0.000 2.356 394 S HA -0.170 4.301 4.470 0.001 0.000 0.223 394 S C 1.982 176.587 174.600 0.008 0.000 1.032 394 S CA 1.237 59.460 58.200 0.038 0.000 1.005 394 S CB -0.368 62.868 63.200 0.060 0.000 0.867 394 S HN 0.372 nan 8.310 nan 0.000 0.449 395 L N 1.878 123.103 121.223 0.003 0.000 2.017 395 L HA -0.038 4.303 4.340 0.001 0.000 0.208 395 L C 2.462 179.254 176.870 -0.130 0.000 1.073 395 L CA 1.939 56.743 54.840 -0.060 0.000 0.745 395 L CB -0.986 41.065 42.059 -0.013 0.000 0.894 395 L HN 0.365 nan 8.230 nan 0.000 0.432 396 Q N -0.479 119.254 119.800 -0.112 0.000 2.170 396 Q HA -0.225 4.116 4.340 0.001 0.000 0.203 396 Q C 2.205 178.143 176.000 -0.103 0.000 0.976 396 Q CA 1.626 57.327 55.803 -0.169 0.000 0.858 396 Q CB -0.107 28.517 28.738 -0.191 0.000 0.907 396 Q HN 0.580 nan 8.270 nan 0.000 0.433 397 K N 0.469 120.845 120.400 -0.040 0.000 2.097 397 K HA -0.086 4.234 4.320 0.001 0.000 0.205 397 K C 2.117 178.717 176.600 0.001 0.000 1.050 397 K CA 1.022 57.315 56.287 0.009 0.000 0.938 397 K CB -0.128 32.410 32.500 0.063 0.000 0.718 397 K HN 0.113 nan 8.250 nan 0.000 0.442 398 A N 1.546 124.351 122.820 -0.025 0.000 1.883 398 A HA -0.164 4.157 4.320 0.001 0.000 0.217 398 A C 2.127 179.681 177.584 -0.051 0.000 1.186 398 A CA 1.327 53.348 52.037 -0.028 0.000 0.624 398 A CB -0.736 18.230 19.000 -0.057 0.000 0.822 398 A HN 0.156 nan 8.150 nan 0.000 0.444 399 L N -0.330 120.820 121.223 -0.121 0.000 2.012 399 L HA -0.244 4.096 4.340 0.001 0.000 0.210 399 L C 2.794 179.664 176.870 0.000 0.000 1.073 399 L CA 2.030 56.806 54.840 -0.107 0.000 0.748 399 L CB -0.527 41.360 42.059 -0.288 0.000 0.891 399 L HN 0.617 nan 8.230 nan 0.000 0.431 400 R N 0.224 120.714 120.500 -0.016 0.000 2.316 400 R HA -0.021 4.320 4.340 0.001 0.000 0.202 400 R C 1.605 177.919 176.300 0.024 0.000 1.029 400 R CA 1.080 57.191 56.100 0.018 0.000 1.018 400 R CB -0.359 29.953 30.300 0.020 0.000 0.888 400 R HN 0.269 nan 8.270 nan 0.000 0.471 401 G N 0.689 109.502 108.800 0.021 0.000 3.159 401 G HA2 0.005 3.965 3.960 0.001 0.000 0.232 401 G HA3 0.005 3.965 3.960 0.001 0.000 0.232 401 G C 0.914 175.824 174.900 0.017 0.000 1.116 401 G CA -0.407 44.706 45.100 0.021 0.000 0.767 401 G HN 0.224 nan 8.290 nan 0.000 0.547 402 L N 0.332 121.574 121.223 0.032 0.000 2.465 402 L HA 0.177 4.517 4.340 0.001 0.000 0.224 402 L C 1.066 177.957 176.870 0.035 0.000 1.145 402 L CA 0.798 55.665 54.840 0.045 0.000 0.834 402 L CB -0.159 41.961 42.059 0.100 0.000 0.944 402 L HN 0.182 nan 8.230 nan 0.000 0.451 403 E N -1.032 119.180 120.200 0.019 0.000 2.637 403 E HA -0.189 4.162 4.350 0.001 0.000 0.265 403 E C 0.878 177.476 176.600 -0.002 0.000 1.073 403 E CA 0.957 57.356 56.400 -0.003 0.000 0.778 403 E CB -2.212 27.475 29.700 -0.022 0.000 1.362 403 E HN 0.497 nan 8.360 nan 0.000 0.413 404 V N -4.354 115.566 119.914 0.010 0.000 3.528 404 V HA 0.598 4.718 4.120 0.001 0.000 0.294 404 V C 1.369 177.418 176.094 -0.076 0.000 1.404 404 V CA 1.038 63.325 62.300 -0.022 0.000 1.065 404 V CB 0.808 32.632 31.823 0.002 0.000 0.904 404 V HN 0.545 nan 8.190 nan 0.000 0.435 405 G N 0.125 108.893 108.800 -0.053 0.000 2.176 405 G HA2 -0.051 3.910 3.960 0.001 0.000 0.232 405 G HA3 -0.051 3.910 3.960 0.001 0.000 0.232 405 G C 0.424 175.283 174.900 -0.068 0.000 0.986 405 G CA 0.105 45.165 45.100 -0.068 0.000 0.643 405 G HN 1.607 nan 8.290 nan 0.000 0.522 406 A N 0.406 123.196 122.820 -0.049 0.000 2.388 406 A HA 0.725 5.046 4.320 0.001 0.000 0.257 406 A C 1.362 178.971 177.584 0.042 0.000 1.095 406 A CA 1.390 53.430 52.037 0.006 0.000 0.791 406 A CB 0.524 19.625 19.000 0.169 0.000 1.029 406 A HN 1.522 nan 8.150 nan 0.000 0.489 407 T N -1.167 113.421 114.554 0.056 0.000 3.040 407 T HA 0.550 4.900 4.350 0.001 0.000 0.266 407 T C 0.787 175.526 174.700 0.065 0.000 1.005 407 T CA 0.921 63.055 62.100 0.056 0.000 0.906 407 T CB -0.200 68.703 68.868 0.059 0.000 1.082 407 T HN 2.288 nan 8.240 nan 0.000 0.531 408 G N 1.420 110.260 108.800 0.067 0.000 2.384 408 G HA2 0.191 4.152 3.960 0.001 0.000 0.150 408 G HA3 0.191 4.152 3.960 0.001 0.000 0.150 408 G C -1.247 173.672 174.900 0.033 0.000 1.269 408 G CA -0.807 44.273 45.100 -0.033 0.000 1.094 408 G HN 0.138 nan 8.290 nan 0.000 0.467 409 F N 3.632 123.702 119.950 0.199 0.000 2.668 409 F HA 0.250 4.777 4.527 0.001 0.000 0.365 409 F C 0.622 176.594 175.800 0.287 0.000 1.165 409 F CA -0.253 57.910 58.000 0.270 0.000 1.344 409 F CB -0.263 38.831 39.000 0.157 0.000 1.658 409 F HN 0.065 nan 8.300 nan 0.000 0.620 410 D N 3.270 123.887 120.400 0.362 0.000 2.414 410 D HA 0.071 4.711 4.640 0.001 0.000 0.242 410 D C -2.067 174.306 176.300 0.121 0.000 1.129 410 D CA -0.991 53.108 54.000 0.166 0.000 0.885 410 D CB 0.747 41.557 40.800 0.017 0.000 1.198 410 D HN 0.115 nan 8.370 nan 0.000 0.437 411 P HA 0.093 nan 4.420 nan 0.000 0.272 411 P C 0.111 177.356 177.300 -0.091 0.000 1.223 411 P CA -0.243 62.869 63.100 0.019 0.000 0.784 411 P CB 1.232 32.950 31.700 0.031 0.000 0.923 412 K N 0.793 121.092 120.400 -0.168 0.000 2.350 412 K HA 0.143 4.463 4.320 0.001 0.000 0.196 412 K C 0.381 176.915 176.600 -0.109 0.000 1.084 412 K CA 0.403 56.533 56.287 -0.262 0.000 0.967 412 K CB 0.320 32.400 32.500 -0.699 0.000 0.950 412 K HN 0.452 nan 8.250 nan 0.000 0.512 413 V N -0.939 118.947 119.914 -0.047 0.000 2.864 413 V HA 0.620 4.740 4.120 0.001 0.000 0.314 413 V C -0.291 175.820 176.094 0.029 0.000 1.073 413 V CA -1.055 61.267 62.300 0.038 0.000 0.956 413 V CB 1.667 33.560 31.823 0.116 0.000 1.023 413 V HN 0.098 nan 8.190 nan 0.000 0.435 414 S N 3.078 118.797 115.700 0.032 0.000 2.601 414 S HA 0.439 4.909 4.470 0.001 0.000 0.271 414 S C 0.889 175.511 174.600 0.035 0.000 1.305 414 S CA -0.530 57.687 58.200 0.028 0.000 1.022 414 S CB 0.975 64.188 63.200 0.021 0.000 0.940 414 S HN 0.837 nan 8.310 nan 0.000 0.525 415 L N 1.377 122.620 121.223 0.034 0.000 2.131 415 L HA -0.081 4.260 4.340 0.001 0.000 0.210 415 L C 1.442 178.331 176.870 0.031 0.000 1.092 415 L CA 1.737 56.599 54.840 0.036 0.000 0.759 415 L CB -0.605 41.475 42.059 0.035 0.000 0.903 415 L HN 0.827 nan 8.230 nan 0.000 0.435 416 D N -2.486 117.929 120.400 0.026 0.000 2.325 416 D HA -0.034 4.606 4.640 0.001 0.000 0.225 416 D C 0.312 176.625 176.300 0.021 0.000 1.096 416 D CA -0.213 53.800 54.000 0.022 0.000 0.844 416 D CB -0.259 40.552 40.800 0.018 0.000 0.925 416 D HN 0.048 nan 8.370 nan 0.000 0.513 417 D N 0.878 121.293 120.400 0.025 0.000 2.316 417 D HA 0.114 4.755 4.640 0.001 0.000 0.245 417 D C -1.462 174.852 176.300 0.024 0.000 1.171 417 D CA -2.369 51.645 54.000 0.024 0.000 0.856 417 D CB 1.691 42.508 40.800 0.030 0.000 1.090 417 D HN -0.157 nan 8.370 nan 0.000 0.476 418 P HA -0.078 nan 4.420 nan 0.000 0.220 418 P C 0.670 177.979 177.300 0.016 0.000 1.148 418 P CA 0.862 63.972 63.100 0.016 0.000 0.803 418 P CB 0.322 32.029 31.700 0.012 0.000 0.782 419 E N -0.983 119.226 120.200 0.016 0.000 2.489 419 E HA 0.075 4.426 4.350 0.001 0.000 0.193 419 E C 1.838 178.451 176.600 0.021 0.000 1.057 419 E CA 0.132 56.541 56.400 0.014 0.000 0.866 419 E CB -0.141 29.564 29.700 0.010 0.000 0.916 419 E HN 0.113 nan 8.360 nan 0.000 0.500 420 A N 1.525 124.365 122.820 0.033 0.000 1.869 420 A HA -0.228 4.092 4.320 0.001 0.000 0.218 420 A C 2.116 179.729 177.584 0.048 0.000 1.203 420 A CA 1.243 53.311 52.037 0.051 0.000 0.638 420 A CB -0.796 18.238 19.000 0.057 0.000 0.831 420 A HN 0.251 nan 8.150 nan 0.000 0.450 421 L N -0.925 120.319 121.223 0.034 0.000 2.187 421 L HA -0.179 4.162 4.340 0.001 0.000 0.213 421 L C 2.697 179.571 176.870 0.007 0.000 1.100 421 L CA 1.647 56.501 54.840 0.025 0.000 0.765 421 L CB -0.576 41.495 42.059 0.020 0.000 0.904 421 L HN 0.428 nan 8.230 nan 0.000 0.437 422 T N -0.555 113.999 114.554 0.001 0.000 2.851 422 T HA -0.111 4.239 4.350 0.001 0.000 0.262 422 T C 1.842 176.519 174.700 -0.040 0.000 1.043 422 T CA 1.065 63.154 62.100 -0.018 0.000 1.140 422 T CB 0.117 68.976 68.868 -0.015 0.000 0.872 422 T HN 0.358 nan 8.240 nan 0.000 0.446 423 K N 0.862 121.244 120.400 -0.030 0.000 2.025 423 K HA 0.081 4.402 4.320 0.001 0.000 0.207 423 K C 2.148 178.669 176.600 -0.132 0.000 1.049 423 K CA 1.072 57.316 56.287 -0.071 0.000 0.933 423 K CB -0.307 32.189 32.500 -0.006 0.000 0.714 423 K HN 0.263 nan 8.250 nan 0.000 0.438 424 I N 1.354 121.914 120.570 -0.016 0.000 2.163 424 I HA -0.305 3.865 4.170 0.001 0.000 0.243 424 I C 2.854 178.931 176.117 -0.067 0.000 1.085 424 I CA 1.252 62.565 61.300 0.021 0.000 1.347 424 I CB -0.237 37.824 38.000 0.101 0.000 1.044 424 I HN 0.189 nan 8.210 nan 0.000 0.408 425 R N 0.812 121.281 120.500 -0.053 0.000 2.103 425 R HA -0.238 4.102 4.340 0.001 0.000 0.242 425 R C 2.563 178.806 176.300 -0.095 0.000 1.142 425 R CA 1.534 57.597 56.100 -0.062 0.000 0.960 425 R CB -0.281 29.994 30.300 -0.043 0.000 0.858 425 R HN 0.212 nan 8.270 nan 0.000 0.439 426 R N 0.888 121.314 120.500 -0.123 0.000 2.075 426 R HA -0.108 4.232 4.340 0.001 0.000 0.232 426 R C 1.538 177.725 176.300 -0.187 0.000 1.126 426 R CA 1.630 57.643 56.100 -0.146 0.000 0.963 426 R CB -0.247 29.962 30.300 -0.151 0.000 0.858 426 R HN 0.306 nan 8.270 nan 0.000 0.435 427 E N 0.474 120.504 120.200 -0.284 0.000 2.268 427 E HA -0.126 4.224 4.350 0.001 0.000 0.195 427 E C 1.901 178.408 176.600 -0.156 0.000 0.995 427 E CA 0.544 56.741 56.400 -0.338 0.000 0.836 427 E CB 0.023 29.216 29.700 -0.844 0.000 0.763 427 E HN 0.187 nan 8.360 nan 0.000 0.491 428 L N 0.975 122.132 121.223 -0.110 0.000 2.102 428 L HA -0.015 4.326 4.340 0.001 0.000 0.202 428 L C 2.365 179.197 176.870 -0.064 0.000 1.076 428 L CA 1.417 56.224 54.840 -0.056 0.000 0.761 428 L CB -0.573 41.453 42.059 -0.055 0.000 0.921 428 L HN -0.054 nan 8.230 nan 0.000 0.444 429 K N -0.579 119.774 120.400 -0.079 0.000 2.057 429 K HA -0.108 4.213 4.320 0.001 0.000 0.207 429 K C -0.353 176.202 176.600 -0.074 0.000 1.049 429 K CA 1.338 57.579 56.287 -0.076 0.000 0.931 429 K CB 0.151 32.604 32.500 -0.078 0.000 0.714 429 K HN 0.283 nan 8.250 nan 0.000 0.440 430 D N 0.554 120.900 120.400 -0.089 0.000 2.378 430 D HA 0.159 4.799 4.640 0.001 0.000 0.265 430 D C -1.257 174.992 176.300 -0.085 0.000 1.229 430 D CA -0.157 53.792 54.000 -0.085 0.000 0.914 430 D CB 1.443 42.175 40.800 -0.112 0.000 1.140 430 D HN 0.225 nan 8.370 nan 0.000 0.516 431 A N 1.608 124.400 122.820 -0.047 0.000 2.567 431 A HA 0.474 4.795 4.320 0.001 0.000 0.240 431 A C 0.865 178.413 177.584 -0.061 0.000 1.053 431 A CA 0.455 52.475 52.037 -0.028 0.000 0.755 431 A CB 0.479 19.491 19.000 0.021 0.000 0.978 431 A HN 0.537 nan 8.150 nan 0.000 0.507 432 G N -0.299 108.458 108.800 -0.071 0.000 3.075 432 G HA2 0.564 4.525 3.960 0.001 0.000 0.253 432 G HA3 0.564 4.525 3.960 0.001 0.000 0.253 432 G C 0.887 175.730 174.900 -0.095 0.000 1.353 432 G CA 0.106 45.121 45.100 -0.142 0.000 1.051 432 G HN 1.300 nan 8.290 nan 0.000 0.553 433 A N -0.917 121.821 122.820 -0.135 0.000 2.121 433 A HA 0.093 4.414 4.320 0.001 0.000 0.218 433 A C 1.493 179.264 177.584 0.312 0.000 1.154 433 A CA 1.804 53.789 52.037 -0.086 0.000 0.679 433 A CB -0.140 18.872 19.000 0.020 0.000 0.795 433 A HN 0.382 nan 8.150 nan 0.000 0.458 434 D N -1.190 119.426 120.400 0.361 0.000 2.349 434 D HA 0.046 4.687 4.640 0.001 0.000 0.214 434 D C 1.727 178.436 176.300 0.682 0.000 1.063 434 D CA 0.062 54.457 54.000 0.658 0.000 0.847 434 D CB -0.173 40.985 40.800 0.597 0.000 0.933 434 D HN 0.480 nan 8.370 nan 0.000 0.513 435 R N 0.691 121.430 120.500 0.399 0.000 2.113 435 R HA -0.211 4.129 4.340 0.001 0.000 0.244 435 R C 2.021 178.482 176.300 0.269 0.000 1.142 435 R CA 1.171 57.464 56.100 0.321 0.000 0.953 435 R CB -0.375 30.030 30.300 0.176 0.000 0.860 435 R HN 0.108 nan 8.270 nan 0.000 0.438 436 I N 0.247 120.858 120.570 0.069 0.000 2.248 436 I HA -0.285 3.885 4.170 0.001 0.000 0.248 436 I C 1.563 177.667 176.117 -0.022 0.000 1.107 436 I CA 1.478 62.714 61.300 -0.107 0.000 1.373 436 I CB -0.258 37.402 38.000 -0.567 0.000 1.055 436 I HN 0.327 nan 8.210 nan 0.000 0.418 437 W N -0.847 120.564 121.300 0.184 0.000 2.476 437 W HA -0.133 4.527 4.660 0.001 0.000 0.281 437 W C 2.431 178.953 176.519 0.005 0.000 1.230 437 W CA 0.700 58.109 57.345 0.107 0.000 1.287 437 W CB -1.151 28.268 29.460 -0.068 0.000 1.108 437 W HN 0.208 nan 8.180 nan 0.000 0.567 438 Y N 0.330 120.807 120.300 0.295 0.000 2.439 438 Y HA -0.116 4.434 4.550 0.001 0.000 0.292 438 Y C 2.408 178.334 175.900 0.043 0.000 1.130 438 Y CA 0.966 59.156 58.100 0.150 0.000 1.254 438 Y CB -0.623 37.898 38.460 0.102 0.000 1.000 438 Y HN -0.197 nan 8.280 nan 0.000 0.554 439 I N -0.715 119.948 120.570 0.154 0.000 2.226 439 I HA -0.333 3.837 4.170 0.001 0.000 0.245 439 I C 2.524 178.522 176.117 -0.198 0.000 1.100 439 I CA 1.218 62.480 61.300 -0.064 0.000 1.374 439 I CB -0.462 37.565 38.000 0.044 0.000 1.057 439 I HN 0.197 nan 8.210 nan 0.000 0.413 440 A N 0.205 123.033 122.820 0.013 0.000 1.929 440 A HA -0.195 4.125 4.320 0.001 0.000 0.216 440 A C 1.947 179.579 177.584 0.080 0.000 1.176 440 A CA 1.643 53.710 52.037 0.051 0.000 0.628 440 A CB -0.465 18.555 19.000 0.032 0.000 0.816 440 A HN 0.304 nan 8.150 nan 0.000 0.444 441 D N 0.303 120.747 120.400 0.074 0.000 2.144 441 D HA -0.081 4.560 4.640 0.001 0.000 0.199 441 D C 2.211 178.536 176.300 0.042 0.000 0.984 441 D CA 1.451 55.493 54.000 0.071 0.000 0.834 441 D CB -0.360 40.480 40.800 0.067 0.000 0.955 441 D HN 0.415 nan 8.370 nan 0.000 0.465 442 A N 0.263 123.054 122.820 -0.049 0.000 1.933 442 A HA -0.175 4.146 4.320 0.001 0.000 0.218 442 A C 1.932 179.472 177.584 -0.073 0.000 1.175 442 A CA 1.039 53.003 52.037 -0.121 0.000 0.628 442 A CB -0.835 17.976 19.000 -0.315 0.000 0.814 442 A HN 0.134 nan 8.150 nan 0.000 0.444 443 F N -0.275 119.700 119.950 0.043 0.000 2.259 443 F HA 0.010 4.538 4.527 0.001 0.000 0.298 443 F C 2.441 178.256 175.800 0.025 0.000 1.088 443 F CA 1.040 59.053 58.000 0.023 0.000 1.358 443 F CB -0.492 38.505 39.000 -0.006 0.000 1.040 443 F HN 0.116 nan 8.300 nan 0.000 0.505 444 R N -0.128 120.490 120.500 0.196 0.000 2.115 444 R HA 0.001 4.342 4.340 0.001 0.000 0.230 444 R C 1.996 178.356 176.300 0.100 0.000 1.111 444 R CA 1.043 57.221 56.100 0.131 0.000 0.976 444 R CB -0.486 29.878 30.300 0.106 0.000 0.870 444 R HN 0.194 nan 8.270 nan 0.000 0.445 445 A N -0.289 122.585 122.820 0.091 0.000 2.278 445 A HA 0.284 4.604 4.320 0.001 0.000 0.212 445 A C 1.270 178.897 177.584 0.071 0.000 1.213 445 A CA 0.667 52.745 52.037 0.070 0.000 0.840 445 A CB 0.078 19.112 19.000 0.057 0.000 0.866 445 A HN 0.434 nan 8.150 nan 0.000 0.489 446 G N -1.343 107.514 108.800 0.096 0.000 2.176 446 G HA2 -0.180 3.780 3.960 0.001 0.000 0.232 446 G HA3 -0.180 3.780 3.960 0.001 0.000 0.232 446 G C 0.142 175.105 174.900 0.105 0.000 0.986 446 G CA 0.061 45.216 45.100 0.091 0.000 0.643 446 G HN 0.369 nan 8.290 nan 0.000 0.522 447 L N 2.100 123.391 121.223 0.112 0.000 2.426 447 L HA 0.484 4.824 4.340 0.001 0.000 0.271 447 L C 1.558 178.560 176.870 0.219 0.000 1.169 447 L CA 0.320 55.225 54.840 0.109 0.000 0.836 447 L CB 1.170 43.243 42.059 0.024 0.000 1.112 447 L HN 0.498 nan 8.230 nan 0.000 0.465 448 S N 1.693 117.503 115.700 0.183 0.000 2.681 448 S HA 0.200 4.670 4.470 0.001 0.000 0.270 448 S C 1.007 175.810 174.600 0.339 0.000 1.209 448 S CA -0.881 57.452 58.200 0.223 0.000 0.988 448 S CB 1.607 64.886 63.200 0.131 0.000 1.006 448 S HN 0.339 nan 8.310 nan 0.000 0.558 449 V N 1.272 121.377 119.914 0.318 0.000 2.343 449 V HA -0.138 3.983 4.120 0.001 0.000 0.247 449 V C 2.210 178.471 176.094 0.278 0.000 1.051 449 V CA 2.291 64.804 62.300 0.356 0.000 1.036 449 V CB -1.014 30.897 31.823 0.147 0.000 0.654 449 V HN 0.861 nan 8.190 nan 0.000 0.451 450 D N 0.414 120.927 120.400 0.188 0.000 2.123 450 D HA -0.122 4.518 4.640 0.001 0.000 0.196 450 D C 2.165 178.599 176.300 0.224 0.000 0.992 450 D CA 1.603 55.712 54.000 0.182 0.000 0.833 450 D CB -0.636 40.228 40.800 0.106 0.000 0.954 450 D HN 0.468 nan 8.370 nan 0.000 0.455 451 G N 0.606 109.507 108.800 0.168 0.000 2.433 451 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 451 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 451 G C 1.866 176.824 174.900 0.097 0.000 1.186 451 G CA 0.969 46.140 45.100 0.118 0.000 0.779 451 G HN 0.254 nan 8.290 nan 0.000 0.543 452 V N 0.516 120.491 119.914 0.103 0.000 2.343 452 V HA -0.134 3.987 4.120 0.001 0.000 0.247 452 V C 2.326 178.467 176.094 0.079 0.000 1.051 452 V CA 1.839 64.159 62.300 0.033 0.000 1.036 452 V CB -0.670 31.117 31.823 -0.060 0.000 0.654 452 V HN 0.400 nan 8.190 nan 0.000 0.451 453 F N 1.941 121.925 119.950 0.056 0.000 2.095 453 F HA -0.223 4.305 4.527 0.001 0.000 0.298 453 F C 2.379 178.201 175.800 0.036 0.000 1.104 453 F CA 2.094 60.124 58.000 0.050 0.000 1.232 453 F CB -0.362 38.676 39.000 0.064 0.000 0.987 453 F HN 0.177 nan 8.300 nan 0.000 0.475 454 N N 0.911 119.650 118.700 0.065 0.000 2.149 454 N HA -0.196 4.545 4.740 0.001 0.000 0.188 454 N C 1.928 177.353 175.510 -0.142 0.000 1.019 454 N CA 1.903 54.938 53.050 -0.024 0.000 0.857 454 N CB -0.603 37.956 38.487 0.120 0.000 0.997 454 N HN 0.390 nan 8.380 nan 0.000 0.426 455 L N 0.036 121.196 121.223 -0.104 0.000 2.131 455 L HA -0.031 4.309 4.340 0.001 0.000 0.206 455 L C 2.284 179.072 176.870 -0.136 0.000 1.087 455 L CA 1.333 56.113 54.840 -0.099 0.000 0.767 455 L CB -0.419 41.601 42.059 -0.066 0.000 0.917 455 L HN 0.299 nan 8.230 nan 0.000 0.441 456 T N -5.355 109.089 114.554 -0.183 0.000 3.023 456 T HA 0.088 4.439 4.350 0.001 0.000 0.249 456 T C 0.876 175.425 174.700 -0.253 0.000 1.050 456 T CA 0.433 62.431 62.100 -0.170 0.000 1.088 456 T CB -0.159 68.637 68.868 -0.120 0.000 0.946 456 T HN 0.316 nan 8.240 nan 0.000 0.480 457 N N 0.534 118.930 118.700 -0.507 0.000 2.741 457 N HA -0.115 4.626 4.740 0.001 0.000 0.251 457 N C -0.960 174.392 175.510 -0.264 0.000 1.112 457 N CA 0.408 53.096 53.050 -0.603 0.000 0.750 457 N CB -1.622 36.693 38.487 -0.287 0.000 1.119 457 N HN 0.570 nan 8.380 nan 0.000 0.561 458 I N 0.844 121.302 120.570 -0.187 0.000 2.325 458 I HA 0.054 4.224 4.170 0.001 0.000 0.291 458 I C 0.783 177.036 176.117 0.225 0.000 1.019 458 I CA -0.394 60.831 61.300 -0.126 0.000 1.302 458 I CB 0.585 38.337 38.000 -0.413 0.000 1.401 458 I HN 0.132 nan 8.210 nan 0.000 0.485 459 D N 6.371 126.985 120.400 0.356 0.000 2.648 459 D HA -0.104 4.536 4.640 0.001 0.000 0.229 459 D C 1.217 177.745 176.300 0.380 0.000 1.119 459 D CA 0.557 54.817 54.000 0.433 0.000 0.850 459 D CB 0.833 41.862 40.800 0.382 0.000 1.169 459 D HN 0.510 nan 8.370 nan 0.000 0.489 460 R N 2.928 123.571 120.500 0.238 0.000 2.170 460 R HA -0.208 4.133 4.340 0.001 0.000 0.242 460 R C 1.937 178.312 176.300 0.124 0.000 1.145 460 R CA 1.220 57.413 56.100 0.154 0.000 0.984 460 R CB -0.173 30.127 30.300 -0.000 0.000 0.869 460 R HN 0.655 nan 8.270 nan 0.000 0.455 461 W N 0.815 122.077 121.300 -0.064 0.000 2.325 461 W HA -0.216 4.445 4.660 0.001 0.000 0.299 461 W C 1.244 177.671 176.519 -0.153 0.000 1.215 461 W CA 1.562 58.797 57.345 -0.183 0.000 1.244 461 W CB -0.202 29.043 29.460 -0.357 0.000 1.140 461 W HN -0.028 nan 8.180 nan 0.000 0.523 462 F N -0.547 119.513 119.950 0.183 0.000 2.219 462 F HA -0.016 4.511 4.527 0.001 0.000 0.294 462 F C 2.232 178.079 175.800 0.079 0.000 1.086 462 F CA 1.128 59.207 58.000 0.131 0.000 1.330 462 F CB -1.199 37.984 39.000 0.305 0.000 1.047 462 F HN -0.259 nan 8.300 nan 0.000 0.495 463 L N 0.256 121.668 121.223 0.315 0.000 2.012 463 L HA -0.199 4.142 4.340 0.001 0.000 0.210 463 L C 2.624 179.532 176.870 0.063 0.000 1.073 463 L CA 1.504 56.519 54.840 0.292 0.000 0.748 463 L CB -1.219 41.062 42.059 0.369 0.000 0.891 463 L HN 0.163 nan 8.230 nan 0.000 0.431 464 V N -2.618 117.260 119.914 -0.061 0.000 2.568 464 V HA -0.302 3.819 4.120 0.001 0.000 0.253 464 V C 2.141 178.091 176.094 -0.239 0.000 1.072 464 V CA 1.662 63.841 62.300 -0.202 0.000 1.084 464 V CB -0.873 30.837 31.823 -0.189 0.000 0.676 464 V HN 0.528 nan 8.190 nan 0.000 0.469 465 Q N -0.039 119.636 119.800 -0.208 0.000 2.172 465 Q HA 0.090 4.431 4.340 0.001 0.000 0.200 465 Q C 2.277 178.191 176.000 -0.143 0.000 0.964 465 Q CA 1.820 57.506 55.803 -0.195 0.000 0.855 465 Q CB -0.145 28.445 28.738 -0.245 0.000 0.918 465 Q HN 0.691 nan 8.270 nan 0.000 0.444 466 I N 0.424 120.932 120.570 -0.103 0.000 2.406 466 I HA -0.199 3.971 4.170 0.001 0.000 0.249 466 I C 2.409 178.367 176.117 -0.264 0.000 1.122 466 I CA 0.868 62.053 61.300 -0.192 0.000 1.431 466 I CB -0.179 37.798 38.000 -0.037 0.000 1.087 466 I HN 0.251 nan 8.210 nan 0.000 0.424 467 E N 1.472 121.388 120.200 -0.474 0.000 2.077 467 E HA -0.307 4.043 4.350 0.001 0.000 0.193 467 E C 2.104 178.501 176.600 -0.338 0.000 0.989 467 E CA 1.476 57.419 56.400 -0.760 0.000 0.800 467 E CB -0.008 28.937 29.700 -1.257 0.000 0.746 467 E HN 0.471 nan 8.360 nan 0.000 0.452 468 E N 0.402 120.455 120.200 -0.246 0.000 2.110 468 E HA -0.200 4.150 4.350 0.001 0.000 0.193 468 E C 2.230 178.818 176.600 -0.021 0.000 0.988 468 E CA 0.940 57.269 56.400 -0.119 0.000 0.804 468 E CB -0.090 29.549 29.700 -0.101 0.000 0.745 468 E HN 0.358 nan 8.360 nan 0.000 0.458 469 L N 0.355 121.561 121.223 -0.028 0.000 2.131 469 L HA -0.161 4.180 4.340 0.001 0.000 0.210 469 L C 2.526 179.513 176.870 0.196 0.000 1.092 469 L CA 0.605 55.524 54.840 0.133 0.000 0.759 469 L CB -0.301 41.748 42.059 -0.016 0.000 0.903 469 L HN 0.109 nan 8.230 nan 0.000 0.435 470 V N -0.268 119.668 119.914 0.036 0.000 2.358 470 V HA -0.201 3.920 4.120 0.001 0.000 0.246 470 V C 2.670 178.805 176.094 0.067 0.000 1.047 470 V CA 1.471 63.812 62.300 0.069 0.000 1.035 470 V CB -0.551 31.307 31.823 0.057 0.000 0.658 470 V HN 0.427 nan 8.190 nan 0.000 0.452 471 R N -0.150 120.365 120.500 0.025 0.000 2.120 471 R HA -0.051 4.290 4.340 0.001 0.000 0.234 471 R C 2.181 178.514 176.300 0.055 0.000 1.123 471 R CA 1.185 57.300 56.100 0.024 0.000 0.975 471 R CB -0.730 29.563 30.300 -0.012 0.000 0.866 471 R HN 0.430 nan 8.270 nan 0.000 0.446 472 L N 0.765 122.042 121.223 0.091 0.000 2.141 472 L HA -0.107 4.233 4.340 0.001 0.000 0.209 472 L C 2.334 179.215 176.870 0.018 0.000 1.094 472 L CA 1.139 56.041 54.840 0.102 0.000 0.763 472 L CB -0.298 41.849 42.059 0.147 0.000 0.908 472 L HN 0.204 nan 8.230 nan 0.000 0.437 473 E N 0.074 120.291 120.200 0.029 0.000 2.106 473 E HA -0.224 4.126 4.350 0.001 0.000 0.192 473 E C 1.994 178.603 176.600 0.015 0.000 0.984 473 E CA 1.112 57.500 56.400 -0.020 0.000 0.806 473 E CB 0.022 29.785 29.700 0.105 0.000 0.750 473 E HN 0.560 nan 8.360 nan 0.000 0.458 474 E N 0.906 121.132 120.200 0.042 0.000 2.077 474 E HA -0.209 4.142 4.350 0.001 0.000 0.193 474 E C 2.087 178.707 176.600 0.033 0.000 0.989 474 E CA 0.899 57.322 56.400 0.038 0.000 0.800 474 E CB -0.064 29.658 29.700 0.038 0.000 0.746 474 E HN 0.095 nan 8.360 nan 0.000 0.452 475 K N 1.194 121.622 120.400 0.047 0.000 2.026 475 K HA -0.140 4.181 4.320 0.001 0.000 0.208 475 K C 2.145 178.800 176.600 0.092 0.000 1.048 475 K CA 1.199 57.513 56.287 0.045 0.000 0.929 475 K CB -0.001 32.526 32.500 0.045 0.000 0.713 475 K HN -0.046 nan 8.250 nan 0.000 0.439 476 V N 1.645 121.645 119.914 0.143 0.000 2.287 476 V HA -0.278 3.842 4.120 0.001 0.000 0.248 476 V C 2.540 178.666 176.094 0.053 0.000 1.053 476 V CA 2.076 64.450 62.300 0.124 0.000 1.027 476 V CB -0.898 30.894 31.823 -0.051 0.000 0.646 476 V HN 0.535 nan 8.190 nan 0.000 0.447 477 A N -0.738 122.097 122.820 0.026 0.000 1.940 477 A HA -0.290 4.030 4.320 0.001 0.000 0.219 477 A C 2.289 179.886 177.584 0.022 0.000 1.176 477 A CA 2.121 54.171 52.037 0.021 0.000 0.631 477 A CB -0.491 18.522 19.000 0.022 0.000 0.814 477 A HN 0.641 nan 8.150 nan 0.000 0.446 478 E N -0.274 119.939 120.200 0.022 0.000 2.047 478 E HA -0.130 4.221 4.350 0.001 0.000 0.191 478 E C 1.937 178.541 176.600 0.007 0.000 0.987 478 E CA 1.702 58.108 56.400 0.010 0.000 0.799 478 E CB -0.098 29.601 29.700 -0.002 0.000 0.752 478 E HN 0.565 nan 8.360 nan 0.000 0.449 479 V N -2.192 117.731 119.914 0.015 0.000 3.129 479 V HA 0.274 4.394 4.120 0.001 0.000 0.259 479 V C 0.990 177.103 176.094 0.031 0.000 1.116 479 V CA 0.622 62.930 62.300 0.012 0.000 1.127 479 V CB -0.724 31.096 31.823 -0.004 0.000 0.742 479 V HN 0.366 nan 8.190 nan 0.000 0.474 480 G N 0.442 109.265 108.800 0.039 0.000 2.804 480 G HA2 -0.327 3.634 3.960 0.001 0.000 0.230 480 G HA3 -0.327 3.634 3.960 0.001 0.000 0.230 480 G C 0.338 175.266 174.900 0.046 0.000 1.386 480 G CA 0.200 45.319 45.100 0.033 0.000 0.875 480 G HN 0.863 nan 8.290 nan 0.000 0.557 481 I N -0.179 120.411 120.570 0.032 0.000 2.530 481 I HA -0.120 4.051 4.170 0.001 0.000 0.257 481 I C 2.629 178.778 176.117 0.054 0.000 1.179 481 I CA 2.626 63.947 61.300 0.035 0.000 1.440 481 I CB -0.068 37.940 38.000 0.015 0.000 1.087 481 I HN 0.649 nan 8.210 nan 0.000 0.440 482 T N 0.010 114.592 114.554 0.047 0.000 2.857 482 T HA -0.041 4.309 4.350 0.001 0.000 0.266 482 T C 1.563 176.302 174.700 0.065 0.000 1.048 482 T CA 1.244 63.374 62.100 0.050 0.000 1.139 482 T CB -0.420 68.466 68.868 0.030 0.000 0.874 482 T HN 0.602 nan 8.240 nan 0.000 0.455 483 G N 0.773 109.614 108.800 0.069 0.000 2.848 483 G HA2 0.109 4.070 3.960 0.001 0.000 0.208 483 G HA3 0.109 4.070 3.960 0.001 0.000 0.208 483 G C 0.624 175.629 174.900 0.176 0.000 1.152 483 G CA -0.106 45.037 45.100 0.072 0.000 0.789 483 G HN 0.446 nan 8.290 nan 0.000 0.531 484 L N 2.596 123.935 121.223 0.193 0.000 2.437 484 L HA 0.158 4.499 4.340 0.001 0.000 0.243 484 L C 0.406 177.432 176.870 0.259 0.000 1.346 484 L CA -0.743 54.246 54.840 0.249 0.000 1.233 484 L CB -1.025 41.121 42.059 0.145 0.000 1.436 484 L HN 0.285 nan 8.230 nan 0.000 0.416 485 N N -0.035 118.780 118.700 0.191 0.000 2.371 485 N HA 0.159 4.900 4.740 0.001 0.000 0.243 485 N C 1.205 176.618 175.510 -0.161 0.000 1.287 485 N CA 0.249 53.320 53.050 0.036 0.000 0.911 485 N CB 0.873 39.357 38.487 -0.005 0.000 1.142 485 N HN 0.200 nan 8.380 nan 0.000 0.451 486 A N 0.321 122.736 122.820 -0.675 0.000 1.940 486 A HA -0.239 4.082 4.320 0.001 0.000 0.219 486 A C 1.513 178.947 177.584 -0.251 0.000 1.176 486 A CA 1.769 53.325 52.037 -0.802 0.000 0.631 486 A CB -0.826 17.561 19.000 -1.021 0.000 0.814 486 A HN 0.827 nan 8.150 nan 0.000 0.446 487 D N -0.822 119.495 120.400 -0.137 0.000 2.088 487 D HA -0.161 4.480 4.640 0.001 0.000 0.191 487 D C 1.669 178.015 176.300 0.077 0.000 0.992 487 D CA 1.410 55.397 54.000 -0.023 0.000 0.831 487 D CB -0.689 40.106 40.800 -0.007 0.000 0.973 487 D HN 0.401 nan 8.370 nan 0.000 0.447 488 F N 1.357 121.258 119.950 -0.082 0.000 2.126 488 F HA -0.137 4.390 4.527 0.001 0.000 0.299 488 F C 2.162 177.928 175.800 -0.058 0.000 1.096 488 F CA 0.604 58.567 58.000 -0.062 0.000 1.255 488 F CB -0.621 38.344 39.000 -0.058 0.000 0.997 488 F HN -0.106 nan 8.300 nan 0.000 0.479 489 L N 0.677 121.870 121.223 -0.050 0.000 2.141 489 L HA -0.117 4.224 4.340 0.001 0.000 0.209 489 L C 2.573 179.340 176.870 -0.171 0.000 1.094 489 L CA 1.735 56.472 54.840 -0.171 0.000 0.763 489 L CB -0.839 41.246 42.059 0.044 0.000 0.908 489 L HN 0.160 nan 8.230 nan 0.000 0.437 490 R N -1.024 119.422 120.500 -0.091 0.000 2.115 490 R HA -0.161 4.179 4.340 0.001 0.000 0.226 490 R C 2.282 178.525 176.300 -0.095 0.000 1.100 490 R CA 1.303 57.352 56.100 -0.086 0.000 0.980 490 R CB -0.247 30.049 30.300 -0.008 0.000 0.875 490 R HN 0.603 nan 8.270 nan 0.000 0.445 491 Q N 0.646 120.411 119.800 -0.058 0.000 2.119 491 Q HA -0.145 4.195 4.340 0.001 0.000 0.201 491 Q C 2.036 178.001 176.000 -0.058 0.000 0.972 491 Q CA 1.293 57.089 55.803 -0.012 0.000 0.847 491 Q CB 0.013 28.809 28.738 0.095 0.000 0.903 491 Q HN 0.430 nan 8.270 nan 0.000 0.433 492 L N 0.592 121.693 121.223 -0.204 0.000 2.056 492 L HA -0.175 4.165 4.340 0.001 0.000 0.207 492 L C 2.509 179.368 176.870 -0.018 0.000 1.078 492 L CA 0.910 55.671 54.840 -0.132 0.000 0.749 492 L CB -0.355 41.420 42.059 -0.473 0.000 0.901 492 L HN 0.041 nan 8.230 nan 0.000 0.433 493 K N 0.321 120.567 120.400 -0.258 0.000 2.148 493 K HA -0.114 4.207 4.320 0.001 0.000 0.204 493 K C 2.152 178.494 176.600 -0.430 0.000 1.050 493 K CA 1.175 57.138 56.287 -0.541 0.000 0.942 493 K CB -0.297 31.468 32.500 -1.224 0.000 0.724 493 K HN 0.289 nan 8.250 nan 0.000 0.446 494 R N 0.743 121.126 120.500 -0.195 0.000 2.148 494 R HA 0.007 4.348 4.340 0.001 0.000 0.223 494 R C 1.500 177.819 176.300 0.032 0.000 1.088 494 R CA 0.704 56.806 56.100 0.002 0.000 0.985 494 R CB 0.139 30.469 30.300 0.049 0.000 0.880 494 R HN -0.035 nan 8.270 nan 0.000 0.451 495 K N -0.447 119.971 120.400 0.031 0.000 2.505 495 K HA 0.099 4.419 4.320 0.001 0.000 0.192 495 K C 0.876 177.409 176.600 -0.112 0.000 1.025 495 K CA 0.767 57.059 56.287 0.008 0.000 1.086 495 K CB 0.802 33.368 32.500 0.110 0.000 0.840 495 K HN 0.406 nan 8.250 nan 0.000 0.514 496 G N 1.269 110.033 108.800 -0.059 0.000 2.176 496 G HA2 -0.264 3.697 3.960 0.001 0.000 0.253 496 G HA3 -0.264 3.697 3.960 0.001 0.000 0.253 496 G C 0.015 174.843 174.900 -0.120 0.000 0.979 496 G CA -0.395 44.658 45.100 -0.079 0.000 0.641 496 G HN 0.221 nan 8.290 nan 0.000 0.530 497 F N 1.880 121.800 119.950 -0.051 0.000 2.578 497 F HA 0.479 5.007 4.527 0.001 0.000 0.376 497 F C 1.206 176.974 175.800 -0.053 0.000 1.085 497 F CA 0.535 58.507 58.000 -0.048 0.000 1.260 497 F CB 0.681 39.627 39.000 -0.090 0.000 1.095 497 F HN 0.372 nan 8.300 nan 0.000 0.573 498 A N 3.121 126.044 122.820 0.171 0.000 2.322 498 A HA 0.231 4.552 4.320 0.001 0.000 0.269 498 A C 1.059 178.695 177.584 0.088 0.000 1.094 498 A CA -0.692 51.407 52.037 0.103 0.000 0.807 498 A CB 0.330 19.380 19.000 0.083 0.000 1.047 498 A HN 0.756 nan 8.150 nan 0.000 0.487 499 D N 1.365 121.796 120.400 0.052 0.000 2.144 499 D HA -0.112 4.528 4.640 0.001 0.000 0.199 499 D C 2.131 178.447 176.300 0.026 0.000 0.984 499 D CA 1.871 55.886 54.000 0.024 0.000 0.834 499 D CB -0.358 40.453 40.800 0.019 0.000 0.955 499 D HN 0.631 nan 8.370 nan 0.000 0.465 500 A N 0.772 123.615 122.820 0.039 0.000 1.933 500 A HA -0.194 4.126 4.320 0.001 0.000 0.218 500 A C 2.206 179.819 177.584 0.048 0.000 1.175 500 A CA 1.787 53.845 52.037 0.035 0.000 0.628 500 A CB -0.388 18.631 19.000 0.032 0.000 0.814 500 A HN 0.114 nan 8.150 nan 0.000 0.444 501 R N -0.312 120.236 120.500 0.080 0.000 2.093 501 R HA 0.142 4.482 4.340 0.001 0.000 0.224 501 R C 1.827 178.169 176.300 0.070 0.000 1.101 501 R CA 1.060 57.228 56.100 0.112 0.000 0.979 501 R CB -0.537 29.889 30.300 0.210 0.000 0.877 501 R HN 0.480 nan 8.270 nan 0.000 0.441 502 L N 0.037 121.279 121.223 0.031 0.000 2.093 502 L HA -0.031 4.309 4.340 0.001 0.000 0.208 502 L C 2.520 179.371 176.870 -0.031 0.000 1.085 502 L CA 1.168 55.975 54.840 -0.054 0.000 0.755 502 L CB -0.667 41.333 42.059 -0.099 0.000 0.904 502 L HN 0.316 nan 8.230 nan 0.000 0.435 503 A N 0.657 123.472 122.820 -0.009 0.000 1.859 503 A HA -0.266 4.055 4.320 0.001 0.000 0.217 503 A C 2.328 179.913 177.584 0.002 0.000 1.198 503 A CA 2.043 54.077 52.037 -0.005 0.000 0.629 503 A CB -0.487 18.513 19.000 0.001 0.000 0.830 503 A HN 0.333 nan 8.150 nan 0.000 0.446 504 K N -0.534 119.874 120.400 0.013 0.000 2.074 504 K HA -0.144 4.176 4.320 0.001 0.000 0.209 504 K C 1.890 178.499 176.600 0.015 0.000 1.048 504 K CA 1.646 57.943 56.287 0.017 0.000 0.926 504 K CB -0.499 32.019 32.500 0.030 0.000 0.713 504 K HN 0.489 nan 8.250 nan 0.000 0.444 505 L N 0.307 121.537 121.223 0.011 0.000 2.093 505 L HA -0.115 4.226 4.340 0.001 0.000 0.208 505 L C 2.443 179.314 176.870 0.002 0.000 1.085 505 L CA 1.048 55.892 54.840 0.006 0.000 0.755 505 L CB -0.378 41.673 42.059 -0.012 0.000 0.904 505 L HN 0.171 nan 8.230 nan 0.000 0.435 506 A N -0.525 122.292 122.820 -0.005 0.000 2.123 506 A HA 0.276 4.596 4.320 0.001 0.000 0.214 506 A C 1.723 179.309 177.584 0.003 0.000 1.152 506 A CA 0.743 52.780 52.037 0.000 0.000 0.728 506 A CB -0.432 18.565 19.000 -0.006 0.000 0.814 506 A HN 0.494 nan 8.150 nan 0.000 0.464 507 G N -0.961 107.841 108.800 0.003 0.000 2.171 507 G HA2 -0.070 3.891 3.960 0.001 0.000 0.238 507 G HA3 -0.070 3.891 3.960 0.001 0.000 0.238 507 G C 0.225 175.125 174.900 0.001 0.000 1.039 507 G CA 0.661 45.763 45.100 0.004 0.000 0.759 507 G HN 1.686 nan 8.290 nan 0.000 0.501 508 V N -4.214 115.699 119.914 -0.001 0.000 3.181 508 V HA 0.920 5.041 4.120 0.001 0.000 0.314 508 V C 0.614 176.705 176.094 -0.004 0.000 1.173 508 V CA -1.916 60.382 62.300 -0.004 0.000 1.052 508 V CB 1.274 33.093 31.823 -0.008 0.000 1.123 508 V HN 0.301 nan 8.190 nan 0.000 0.454 509 R N 0.108 120.605 120.500 -0.006 0.000 2.531 509 R HA 0.303 4.644 4.340 0.001 0.000 0.273 509 R C 1.405 177.701 176.300 -0.006 0.000 1.070 509 R CA 0.227 56.324 56.100 -0.005 0.000 1.112 509 R CB 0.627 30.924 30.300 -0.006 0.000 1.049 509 R HN 0.968 nan 8.270 nan 0.000 0.508 510 E N 1.935 122.134 120.200 -0.002 0.000 2.118 510 E HA -0.269 4.082 4.350 0.001 0.000 0.195 510 E C 1.407 178.004 176.600 -0.005 0.000 0.992 510 E CA 1.600 58.000 56.400 -0.000 0.000 0.804 510 E CB 0.028 29.732 29.700 0.006 0.000 0.741 510 E HN 0.721 nan 8.360 nan 0.000 0.458 511 A N 1.015 123.832 122.820 -0.006 0.000 2.024 511 A HA -0.195 4.126 4.320 0.001 0.000 0.220 511 A C 1.899 179.472 177.584 -0.018 0.000 1.164 511 A CA 1.446 53.478 52.037 -0.008 0.000 0.643 511 A CB -0.353 18.643 19.000 -0.006 0.000 0.806 511 A HN 0.212 nan 8.150 nan 0.000 0.451 512 E N -0.051 120.136 120.200 -0.022 0.000 2.106 512 E HA -0.099 4.252 4.350 0.001 0.000 0.192 512 E C 1.962 178.532 176.600 -0.050 0.000 0.984 512 E CA 0.729 57.110 56.400 -0.033 0.000 0.806 512 E CB -0.301 29.384 29.700 -0.025 0.000 0.750 512 E HN 0.583 nan 8.360 nan 0.000 0.458 513 I N 0.375 120.921 120.570 -0.041 0.000 2.233 513 I HA -0.141 4.030 4.170 0.001 0.000 0.243 513 I C 2.472 178.554 176.117 -0.058 0.000 1.093 513 I CA 0.797 62.067 61.300 -0.050 0.000 1.380 513 I CB -0.811 37.168 38.000 -0.035 0.000 1.067 513 I HN 0.090 nan 8.210 nan 0.000 0.413 514 R N 1.317 121.797 120.500 -0.033 0.000 2.148 514 R HA -0.146 4.194 4.340 0.001 0.000 0.227 514 R C 2.167 178.442 176.300 -0.042 0.000 1.103 514 R CA 1.174 57.261 56.100 -0.022 0.000 0.983 514 R CB 0.073 30.377 30.300 0.006 0.000 0.874 514 R HN 0.251 nan 8.270 nan 0.000 0.451 515 K N 0.011 120.376 120.400 -0.059 0.000 2.062 515 K HA -0.111 4.210 4.320 0.001 0.000 0.205 515 K C 1.925 178.434 176.600 -0.152 0.000 1.051 515 K CA 0.889 57.132 56.287 -0.074 0.000 0.941 515 K CB -0.143 32.319 32.500 -0.065 0.000 0.719 515 K HN 0.071 nan 8.250 nan 0.000 0.440 516 L N 1.878 122.977 121.223 -0.207 0.000 2.012 516 L HA -0.190 4.151 4.340 0.001 0.000 0.210 516 L C 2.051 178.616 176.870 -0.508 0.000 1.073 516 L CA 1.694 56.286 54.840 -0.412 0.000 0.748 516 L CB -0.394 41.485 42.059 -0.299 0.000 0.891 516 L HN 0.078 nan 8.230 nan 0.000 0.431 517 R N -0.702 119.650 120.500 -0.247 0.000 2.096 517 R HA -0.149 4.191 4.340 0.001 0.000 0.235 517 R C 1.859 178.053 176.300 -0.177 0.000 1.127 517 R CA 1.358 57.356 56.100 -0.170 0.000 0.968 517 R CB -0.436 29.775 30.300 -0.150 0.000 0.861 517 R HN 0.442 nan 8.270 nan 0.000 0.440 518 D N 0.335 120.674 120.400 -0.102 0.000 2.178 518 D HA -0.163 4.478 4.640 0.001 0.000 0.201 518 D C 1.834 178.155 176.300 0.034 0.000 0.980 518 D CA 1.005 55.035 54.000 0.051 0.000 0.842 518 D CB 0.001 40.845 40.800 0.072 0.000 0.948 518 D HN 0.284 nan 8.370 nan 0.000 0.472 519 Q N -0.743 118.999 119.800 -0.097 0.000 2.046 519 Q HA -0.148 4.192 4.340 0.001 0.000 0.200 519 Q C 1.347 177.387 176.000 0.068 0.000 0.975 519 Q CA 0.931 56.678 55.803 -0.093 0.000 0.836 519 Q CB 0.080 28.645 28.738 -0.289 0.000 0.896 519 Q HN 0.315 nan 8.270 nan 0.000 0.428 520 Y N 0.472 120.780 120.300 0.013 0.000 2.546 520 Y HA 0.027 4.577 4.550 0.001 0.000 0.287 520 Y C 0.221 176.140 175.900 0.030 0.000 1.158 520 Y CA 0.596 58.705 58.100 0.014 0.000 1.307 520 Y CB -0.228 38.228 38.460 -0.008 0.000 1.036 520 Y HN 0.235 nan 8.280 nan 0.000 0.532 521 D N -0.204 120.309 120.400 0.189 0.000 2.705 521 D HA -0.201 4.439 4.640 0.001 0.000 0.240 521 D C -0.956 175.431 176.300 0.145 0.000 1.137 521 D CA 0.199 54.333 54.000 0.225 0.000 0.677 521 D CB -1.289 39.636 40.800 0.208 0.000 1.049 521 D HN 0.145 nan 8.370 nan 0.000 0.427 522 L N 3.109 124.262 121.223 -0.117 0.000 2.287 522 L HA 0.449 4.789 4.340 0.001 0.000 0.280 522 L C -0.703 175.945 176.870 -0.370 0.000 1.055 522 L CA -0.282 54.513 54.840 -0.075 0.000 0.863 522 L CB 0.542 42.642 42.059 0.069 0.000 1.245 522 L HN 0.193 nan 8.230 nan 0.000 0.432 523 H N 4.002 123.171 119.070 0.164 0.000 2.865 523 H HA 0.606 5.162 4.556 0.001 0.000 0.372 523 H C -2.541 172.580 175.328 -0.345 0.000 1.173 523 H CA -1.698 54.361 56.048 0.019 0.000 1.147 523 H CB 1.845 31.610 29.762 0.005 0.000 1.805 523 H HN 0.341 nan 8.280 nan 0.000 0.553 524 P HA 0.157 nan 4.420 nan 0.000 0.278 524 P C -0.279 176.681 177.300 -0.567 0.000 1.266 524 P CA -0.525 61.989 63.100 -0.976 0.000 0.807 524 P CB 1.300 32.423 31.700 -0.961 0.000 1.094 525 V N -1.885 117.685 119.914 -0.574 0.000 2.994 525 V HA 0.588 4.709 4.120 0.001 0.000 0.318 525 V C -1.081 174.639 176.094 -0.624 0.000 1.085 525 V CA -0.941 61.134 62.300 -0.375 0.000 0.998 525 V CB 1.197 32.912 31.823 -0.180 0.000 1.063 525 V HN 0.340 nan 8.190 nan 0.000 0.447 526 Y N 1.237 121.461 120.300 -0.127 0.000 2.364 526 Y HA 0.703 5.254 4.550 0.001 0.000 0.340 526 Y C 0.410 176.135 175.900 -0.291 0.000 0.975 526 Y CA -0.748 57.244 58.100 -0.179 0.000 1.089 526 Y CB 1.885 40.341 38.460 -0.007 0.000 1.192 526 Y HN 0.545 nan 8.280 nan 0.000 0.454 527 K N 3.016 123.110 120.400 -0.510 0.000 2.245 527 K HA 0.625 4.945 4.320 0.001 0.000 0.234 527 K C -0.380 175.990 176.600 -0.383 0.000 1.021 527 K CA -0.960 55.047 56.287 -0.465 0.000 0.898 527 K CB 1.619 33.814 32.500 -0.509 0.000 1.163 527 K HN 0.705 nan 8.250 nan 0.000 0.459 528 R N -0.044 120.387 120.500 -0.115 0.000 2.832 528 R HA 0.497 4.838 4.340 0.001 0.000 0.271 528 R C -0.507 175.852 176.300 0.098 0.000 0.996 528 R CA -1.102 54.987 56.100 -0.017 0.000 0.977 528 R CB 1.306 31.607 30.300 0.003 0.000 1.168 528 R HN 0.175 nan 8.270 nan 0.000 0.482 529 V N 2.016 121.917 119.914 -0.021 0.000 2.498 529 V HA 0.065 4.185 4.120 0.001 0.000 0.279 529 V C 0.139 176.266 176.094 0.055 0.000 1.048 529 V CA 0.237 62.508 62.300 -0.048 0.000 0.967 529 V CB 1.203 32.653 31.823 -0.623 0.000 0.988 529 V HN 0.993 nan 8.190 nan 0.000 0.473 530 D N 0.660 121.144 120.400 0.139 0.000 2.497 530 D HA 0.040 4.681 4.640 0.001 0.000 0.256 530 D C 0.944 177.348 176.300 0.174 0.000 1.273 530 D CA 0.793 54.866 54.000 0.122 0.000 0.812 530 D CB 0.162 41.031 40.800 0.115 0.000 1.190 530 D HN 0.776 nan 8.370 nan 0.000 0.524 531 T N -2.136 112.552 114.554 0.223 0.000 7.013 531 T HA -0.350 4.000 4.350 0.001 0.000 0.288 531 T C 1.099 176.012 174.700 0.355 0.000 2.146 531 T CA 1.349 63.645 62.100 0.326 0.000 3.498 531 T CB -2.959 66.220 68.868 0.519 0.000 1.517 531 T HN 0.922 nan 8.240 nan 0.000 1.113 532 C N 0.524 119.977 119.300 0.254 0.000 3.098 532 C HA 0.892 5.353 4.460 0.001 0.000 0.265 532 C C 1.780 176.836 174.990 0.109 0.000 1.572 532 C CA -0.266 58.899 59.018 0.245 0.000 1.788 532 C CB -0.490 27.469 27.740 0.366 0.000 2.982 532 C HN 2.211 nan 8.230 nan 0.000 0.532 533 A N 0.176 123.033 122.820 0.062 0.000 2.799 533 A HA 0.217 4.538 4.320 0.001 0.000 0.287 533 A C 1.585 179.171 177.584 0.003 0.000 1.484 533 A CA 1.683 53.726 52.037 0.010 0.000 0.813 533 A CB -1.867 17.117 19.000 -0.026 0.000 1.009 533 A HN 2.836 nan 8.150 nan 0.000 0.545 534 A N -2.436 120.397 122.820 0.023 0.000 3.080 534 A HA -0.287 4.033 4.320 0.001 0.000 0.254 534 A C 1.098 178.615 177.584 -0.112 0.000 1.277 534 A CA 2.129 54.159 52.037 -0.011 0.000 1.065 534 A CB -2.309 16.691 19.000 0.001 0.000 1.160 534 A HN 1.906 nan 8.150 nan 0.000 0.886 535 E N -1.492 118.582 120.200 -0.211 0.000 2.268 535 E HA 0.115 4.466 4.350 0.001 0.000 0.195 535 E C 0.086 176.125 176.600 -0.936 0.000 0.995 535 E CA 0.987 57.047 56.400 -0.567 0.000 0.836 535 E CB 0.001 29.279 29.700 -0.704 0.000 0.763 535 E HN 0.772 nan 8.360 nan 0.000 0.491 536 F N -0.641 119.293 119.950 -0.025 0.000 2.588 536 F HA 0.535 5.063 4.527 0.001 0.000 0.310 536 F C 0.030 175.813 175.800 -0.028 0.000 1.082 536 F CA -1.145 56.831 58.000 -0.039 0.000 0.929 536 F CB 1.352 40.308 39.000 -0.073 0.000 1.254 536 F HN -0.195 nan 8.300 nan 0.000 0.455 537 A N 0.989 123.900 122.820 0.151 0.000 2.386 537 A HA 0.574 4.895 4.320 0.001 0.000 0.248 537 A C -0.016 177.609 177.584 0.068 0.000 1.082 537 A CA -0.029 52.056 52.037 0.079 0.000 0.789 537 A CB 0.580 19.611 19.000 0.052 0.000 1.025 537 A HN 0.753 nan 8.150 nan 0.000 0.490 538 T N -0.737 113.840 114.554 0.038 0.000 2.893 538 T HA 0.484 4.834 4.350 0.001 0.000 0.291 538 T C -0.496 174.205 174.700 0.003 0.000 1.028 538 T CA -0.616 61.493 62.100 0.014 0.000 0.995 538 T CB 1.176 70.052 68.868 0.014 0.000 1.051 538 T HN 0.522 nan 8.240 nan 0.000 0.470 539 D N 2.111 122.504 120.400 -0.011 0.000 2.433 539 D HA 0.183 4.824 4.640 0.001 0.000 0.211 539 D C 0.093 176.387 176.300 -0.010 0.000 1.114 539 D CA 0.122 54.117 54.000 -0.008 0.000 0.837 539 D CB 0.853 41.648 40.800 -0.009 0.000 0.984 539 D HN 0.476 nan 8.370 nan 0.000 0.505 540 T N 0.612 115.153 114.554 -0.020 0.000 2.909 540 T HA 0.527 4.878 4.350 0.001 0.000 0.286 540 T C 0.251 174.956 174.700 0.008 0.000 1.002 540 T CA -0.484 61.605 62.100 -0.017 0.000 1.074 540 T CB 2.125 70.941 68.868 -0.087 0.000 0.984 540 T HN -0.059 nan 8.240 nan 0.000 0.495 541 A N 3.058 125.890 122.820 0.020 0.000 3.056 541 A HA 0.403 4.724 4.320 0.001 0.000 0.328 541 A C -0.844 176.761 177.584 0.036 0.000 1.233 541 A CA -0.476 51.556 52.037 -0.009 0.000 0.965 541 A CB -0.277 18.681 19.000 -0.069 0.000 1.123 541 A HN 0.711 nan 8.150 nan 0.000 0.502 542 Y N 2.966 123.236 120.300 -0.050 0.000 2.491 542 Y HA 0.695 5.245 4.550 0.001 0.000 0.334 542 Y C -0.529 175.375 175.900 0.007 0.000 0.969 542 Y CA -1.723 56.386 58.100 0.015 0.000 1.241 542 Y CB 0.484 38.995 38.460 0.085 0.000 1.105 542 Y HN 0.588 nan 8.280 nan 0.000 0.503 543 M N 6.809 126.518 119.600 0.182 0.000 2.690 543 M HA 0.556 5.037 4.480 0.001 0.000 0.302 543 M C -1.561 174.927 176.300 0.314 0.000 1.234 543 M CA -1.137 54.208 55.300 0.076 0.000 0.853 543 M CB 2.855 35.383 32.600 -0.120 0.000 1.748 543 M HN 0.454 nan 8.290 nan 0.000 0.469 544 Y N -1.635 118.791 120.300 0.211 0.000 2.534 544 Y HA 0.837 5.387 4.550 0.001 0.000 0.345 544 Y C -0.713 175.310 175.900 0.204 0.000 1.031 544 Y CA -1.337 56.902 58.100 0.231 0.000 1.022 544 Y CB 0.944 39.404 38.460 -0.000 0.000 1.292 544 Y HN 0.765 nan 8.280 nan 0.000 0.459 545 S N 1.388 117.180 115.700 0.152 0.000 2.610 545 S HA 0.794 5.264 4.470 0.001 0.000 0.273 545 S C -0.298 174.240 174.600 -0.103 0.000 1.274 545 S CA -0.017 57.987 58.200 -0.327 0.000 1.023 545 S CB 1.796 64.789 63.200 -0.345 0.000 0.962 545 S HN 1.118 nan 8.310 nan 0.000 0.523 546 T N 0.077 114.469 114.554 -0.270 0.000 2.769 546 T HA 0.441 4.791 4.350 0.001 0.000 0.306 546 T C -2.167 172.397 174.700 -0.228 0.000 1.400 546 T CA -0.619 61.450 62.100 -0.052 0.000 1.007 546 T CB 0.686 69.600 68.868 0.078 0.000 1.392 546 T HN 0.583 nan 8.240 nan 0.000 0.500 547 Y N 1.892 122.181 120.300 -0.018 0.000 2.907 547 Y HA 0.534 5.084 4.550 0.001 0.000 0.332 547 Y C 0.775 176.675 175.900 0.002 0.000 1.211 547 Y CA -0.342 57.750 58.100 -0.014 0.000 1.387 547 Y CB 0.644 39.105 38.460 0.003 0.000 1.396 547 Y HN 0.574 nan 8.280 nan 0.000 0.519 548 E N -0.070 120.131 120.200 0.002 0.000 2.538 548 E HA 0.300 4.651 4.350 0.001 0.000 0.232 548 E C 0.466 177.070 176.600 0.006 0.000 0.830 548 E CA -0.517 55.898 56.400 0.025 0.000 0.916 548 E CB 1.217 30.934 29.700 0.029 0.000 1.567 548 E HN 0.301 nan 8.360 nan 0.000 0.389 549 E N 0.498 120.703 120.200 0.010 0.000 2.094 549 E HA 0.016 4.366 4.350 0.001 0.000 0.193 549 E C -0.113 176.486 176.600 -0.001 0.000 0.950 549 E CA 0.416 56.822 56.400 0.010 0.000 0.842 549 E CB 0.186 29.898 29.700 0.019 0.000 0.816 549 E HN 0.361 nan 8.360 nan 0.000 0.465 550 E N 0.879 121.076 120.200 -0.004 0.000 2.229 550 E HA 0.143 4.494 4.350 0.001 0.000 0.283 550 E C -1.046 175.544 176.600 -0.017 0.000 1.030 550 E CA -0.254 56.143 56.400 -0.004 0.000 0.836 550 E CB 1.087 30.787 29.700 0.001 0.000 1.068 550 E HN 0.034 nan 8.360 nan 0.000 0.401 551 C N 4.461 123.759 119.300 -0.003 0.000 2.365 551 C HA 0.313 4.774 4.460 0.001 0.000 0.351 551 C C 0.589 175.592 174.990 0.022 0.000 1.240 551 C CA -0.244 58.780 59.018 0.010 0.000 2.062 551 C CB 0.035 27.802 27.740 0.046 0.000 2.387 551 C HN 0.934 nan 8.230 nan 0.000 0.537 552 E N 2.879 123.095 120.200 0.028 0.000 2.603 552 E HA 0.152 4.502 4.350 0.001 0.000 0.211 552 E C 1.524 178.143 176.600 0.030 0.000 0.995 552 E CA 0.277 56.688 56.400 0.018 0.000 0.990 552 E CB 0.487 30.183 29.700 -0.006 0.000 1.036 552 E HN 0.810 nan 8.360 nan 0.000 0.475 553 A N 2.203 125.069 122.820 0.077 0.000 1.873 553 A HA -0.240 4.081 4.320 0.001 0.000 0.218 553 A C 0.859 178.455 177.584 0.021 0.000 1.193 553 A CA 1.110 53.182 52.037 0.058 0.000 0.629 553 A CB -0.447 18.622 19.000 0.114 0.000 0.826 553 A HN 0.347 nan 8.150 nan 0.000 0.447 554 N N -0.590 118.127 118.700 0.029 0.000 2.669 554 N HA -0.107 4.633 4.740 0.001 0.000 0.266 554 N C -2.583 172.935 175.510 0.013 0.000 1.024 554 N CA 1.201 54.261 53.050 0.017 0.000 0.766 554 N CB -1.679 36.814 38.487 0.010 0.000 0.898 554 N HN 0.485 nan 8.380 nan 0.000 0.548 555 P HA 0.106 nan 4.420 nan 0.000 0.271 555 P C 0.270 177.579 177.300 0.014 0.000 1.216 555 P CA -0.222 62.890 63.100 0.019 0.000 0.776 555 P CB 0.692 32.404 31.700 0.021 0.000 0.881 556 S N 0.780 116.489 115.700 0.016 0.000 2.576 556 S HA 0.190 4.661 4.470 0.001 0.000 0.276 556 S C 0.970 175.577 174.600 0.013 0.000 1.339 556 S CA 0.385 58.593 58.200 0.013 0.000 1.039 556 S CB -0.035 63.174 63.200 0.015 0.000 0.902 556 S HN 0.618 nan 8.310 nan 0.000 0.516 557 T N -1.617 112.943 114.554 0.009 0.000 3.003 557 T HA 0.163 4.513 4.350 0.001 0.000 0.261 557 T C 0.951 175.656 174.700 0.007 0.000 1.003 557 T CA 0.268 62.373 62.100 0.008 0.000 0.917 557 T CB -0.092 68.780 68.868 0.005 0.000 1.084 557 T HN 0.582 nan 8.240 nan 0.000 0.522 558 D N 2.568 122.972 120.400 0.007 0.000 2.077 558 D HA -0.047 4.594 4.640 0.001 0.000 0.193 558 D C 1.154 177.456 176.300 0.003 0.000 0.989 558 D CA 1.107 55.109 54.000 0.004 0.000 0.831 558 D CB 0.244 41.046 40.800 0.004 0.000 0.979 558 D HN 0.483 nan 8.370 nan 0.000 0.449 559 R N -0.004 120.502 120.500 0.010 0.000 2.810 559 R HA 0.482 4.822 4.340 0.001 0.000 0.245 559 R C -0.171 176.150 176.300 0.036 0.000 1.168 559 R CA -0.707 55.400 56.100 0.012 0.000 1.096 559 R CB 0.403 30.710 30.300 0.011 0.000 1.259 559 R HN 0.039 nan 8.270 nan 0.000 0.518 560 E N 1.929 122.164 120.200 0.057 0.000 2.044 560 E HA 0.138 4.488 4.350 0.001 0.000 0.282 560 E C -0.773 175.958 176.600 0.219 0.000 1.031 560 E CA -0.244 56.234 56.400 0.131 0.000 0.824 560 E CB 1.107 30.912 29.700 0.176 0.000 1.076 560 E HN 0.197 nan 8.360 nan 0.000 0.395 561 K N 2.571 123.048 120.400 0.129 0.000 2.118 561 K HA 0.448 4.768 4.320 0.001 0.000 0.264 561 K C -0.075 176.546 176.600 0.035 0.000 1.000 561 K CA -0.464 55.881 56.287 0.098 0.000 0.929 561 K CB 1.277 33.809 32.500 0.053 0.000 1.021 561 K HN 0.310 nan 8.250 nan 0.000 0.463 562 I N 2.872 123.436 120.570 -0.010 0.000 2.478 562 I HA 0.236 4.406 4.170 0.001 0.000 0.287 562 I C -0.821 175.256 176.117 -0.067 0.000 1.042 562 I CA -0.508 60.724 61.300 -0.113 0.000 1.067 562 I CB 1.634 39.471 38.000 -0.271 0.000 1.233 562 I HN 0.727 nan 8.210 nan 0.000 0.431 563 M N 7.178 126.736 119.600 -0.071 0.000 2.238 563 M HA 0.567 5.048 4.480 0.001 0.000 0.350 563 M C -1.498 174.762 176.300 -0.066 0.000 1.138 563 M CA -0.447 54.824 55.300 -0.048 0.000 1.040 563 M CB 1.496 34.066 32.600 -0.049 0.000 1.639 563 M HN 0.305 nan 8.290 nan 0.000 0.451 564 V N 6.649 126.539 119.914 -0.041 0.000 2.448 564 V HA 0.433 4.554 4.120 0.001 0.000 0.295 564 V C -0.372 175.714 176.094 -0.013 0.000 1.025 564 V CA -0.739 61.539 62.300 -0.037 0.000 0.859 564 V CB 1.525 33.339 31.823 -0.015 0.000 0.988 564 V HN 0.800 nan 8.190 nan 0.000 0.431 565 L N 4.527 125.742 121.223 -0.013 0.000 2.282 565 L HA 0.653 4.993 4.340 0.001 0.000 0.288 565 L C 1.058 177.936 176.870 0.014 0.000 1.033 565 L CA -0.177 54.658 54.840 -0.008 0.000 0.807 565 L CB 1.298 43.345 42.059 -0.020 0.000 1.209 565 L HN 0.776 nan 8.230 nan 0.000 0.423 566 G N 1.468 110.267 108.800 -0.002 0.000 2.535 566 G HA2 0.359 4.320 3.960 0.001 0.000 0.282 566 G HA3 0.359 4.320 3.960 0.001 0.000 0.282 566 G C 0.790 175.682 174.900 -0.014 0.000 1.350 566 G CA 0.107 45.208 45.100 0.002 0.000 1.039 566 G HN 0.763 nan 8.290 nan 0.000 0.509 567 G N -1.888 106.901 108.800 -0.018 0.000 3.159 567 G HA2 0.515 4.475 3.960 0.001 0.000 0.232 567 G HA3 0.515 4.475 3.960 0.001 0.000 0.232 567 G C 0.963 175.828 174.900 -0.057 0.000 1.116 567 G CA 0.867 45.939 45.100 -0.047 0.000 0.767 567 G HN 1.862 nan 8.290 nan 0.000 0.547 568 G N 0.672 109.434 108.800 -0.063 0.000 2.553 568 G HA2 -0.160 3.800 3.960 0.001 0.000 0.242 568 G HA3 -0.160 3.800 3.960 0.001 0.000 0.242 568 G C -2.538 172.328 174.900 -0.056 0.000 1.277 568 G CA -0.308 44.753 45.100 -0.065 0.000 0.910 568 G HN 0.352 nan 8.290 nan 0.000 0.576 569 P HA 0.230 nan 4.420 nan 0.000 0.269 569 P C -0.052 177.227 177.300 -0.036 0.000 1.215 569 P CA -0.070 63.006 63.100 -0.041 0.000 0.780 569 P CB 0.181 31.858 31.700 -0.039 0.000 0.898 570 N N 1.705 120.387 118.700 -0.030 0.000 2.467 570 N HA 0.419 5.159 4.740 0.001 0.000 0.262 570 N C 0.072 175.566 175.510 -0.026 0.000 1.234 570 N CA -0.259 52.784 53.050 -0.012 0.000 0.952 570 N CB 0.432 38.920 38.487 0.001 0.000 1.158 570 N HN 0.329 nan 8.380 nan 0.000 0.463 571 R N 0.143 120.635 120.500 -0.014 0.000 2.810 571 R HA 0.472 4.813 4.340 0.001 0.000 0.266 571 R C -1.071 175.226 176.300 -0.004 0.000 1.061 571 R CA -0.854 55.235 56.100 -0.019 0.000 0.943 571 R CB 0.438 30.720 30.300 -0.029 0.000 1.237 571 R HN 0.389 nan 8.270 nan 0.000 0.459 572 I N 1.526 122.093 120.570 -0.004 0.000 2.618 572 I HA 0.213 4.384 4.170 0.001 0.000 0.284 572 I C 1.255 177.354 176.117 -0.029 0.000 1.146 572 I CA 1.795 63.090 61.300 -0.008 0.000 1.425 572 I CB 0.675 38.671 38.000 -0.007 0.000 1.383 572 I HN 0.918 nan 8.210 nan 0.000 0.562 573 G N 4.402 113.199 108.800 -0.004 0.000 2.241 573 G HA2 -0.221 3.740 3.960 0.001 0.000 0.244 573 G HA3 -0.221 3.740 3.960 0.001 0.000 0.244 573 G C 0.365 175.345 174.900 0.132 0.000 0.998 573 G CA -0.340 44.775 45.100 0.025 0.000 0.621 573 G HN 0.522 nan 8.290 nan 0.000 0.519 574 Q N 1.159 121.010 119.800 0.085 0.000 2.943 574 Q HA 0.527 4.867 4.340 0.001 0.000 0.327 574 Q C 0.750 176.869 176.000 0.198 0.000 0.937 574 Q CA 0.380 56.218 55.803 0.059 0.000 0.914 574 Q CB 0.763 29.433 28.738 -0.113 0.000 1.339 574 Q HN 0.572 nan 8.270 nan 0.000 0.417 575 G N 0.091 109.090 108.800 0.333 0.000 2.543 575 G HA2 0.314 4.275 3.960 0.001 0.000 0.267 575 G HA3 0.314 4.275 3.960 0.001 0.000 0.267 575 G C 0.758 175.765 174.900 0.178 0.000 1.406 575 G CA -0.590 44.615 45.100 0.175 0.000 1.048 575 G HN 0.465 nan 8.290 nan 0.000 0.548 576 I N -0.305 120.306 120.570 0.068 0.000 2.567 576 I HA -0.135 4.036 4.170 0.001 0.000 0.257 576 I C 2.483 178.603 176.117 0.005 0.000 1.184 576 I CA 1.215 62.545 61.300 0.050 0.000 1.451 576 I CB 0.014 38.034 38.000 0.033 0.000 1.089 576 I HN 0.560 nan 8.210 nan 0.000 0.441 577 E N 0.559 120.677 120.200 -0.136 0.000 2.085 577 E HA -0.241 4.109 4.350 0.001 0.000 0.194 577 E C 1.850 178.240 176.600 -0.350 0.000 0.994 577 E CA 1.786 57.976 56.400 -0.350 0.000 0.801 577 E CB -0.387 28.960 29.700 -0.589 0.000 0.743 577 E HN 0.485 nan 8.360 nan 0.000 0.453 578 F N 0.692 120.634 119.950 -0.014 0.000 2.186 578 F HA -0.096 4.432 4.527 0.001 0.000 0.299 578 F C 2.097 177.907 175.800 0.017 0.000 1.090 578 F CA 1.287 59.278 58.000 -0.015 0.000 1.307 578 F CB -0.539 38.453 39.000 -0.012 0.000 1.019 578 F HN 0.001 nan 8.300 nan 0.000 0.489 579 D N -0.884 119.629 120.400 0.187 0.000 2.097 579 D HA -0.280 4.361 4.640 0.001 0.000 0.195 579 D C 2.160 178.522 176.300 0.103 0.000 0.989 579 D CA 1.151 55.227 54.000 0.126 0.000 0.827 579 D CB -0.338 40.519 40.800 0.094 0.000 0.966 579 D HN 0.287 nan 8.370 nan 0.000 0.456 580 Y N 0.483 120.741 120.300 -0.070 0.000 2.151 580 Y HA -0.311 4.240 4.550 0.001 0.000 0.284 580 Y C 2.210 177.983 175.900 -0.211 0.000 1.166 580 Y CA 1.529 59.538 58.100 -0.152 0.000 1.163 580 Y CB -0.555 37.778 38.460 -0.212 0.000 0.974 580 Y HN 0.159 nan 8.280 nan 0.000 0.511 581 C N -0.793 118.529 119.300 0.037 0.000 2.442 581 C HA -0.245 4.216 4.460 0.001 0.000 0.279 581 C C 2.993 178.040 174.990 0.094 0.000 1.237 581 C CA 1.225 60.177 59.018 -0.110 0.000 1.722 581 C CB -1.624 25.889 27.740 -0.379 0.000 2.056 581 C HN 0.801 nan 8.230 nan 0.000 0.469 582 C N 0.195 119.604 119.300 0.182 0.000 2.391 582 C HA -0.125 4.336 4.460 0.001 0.000 0.276 582 C C 2.714 177.795 174.990 0.152 0.000 1.217 582 C CA 1.246 60.408 59.018 0.239 0.000 1.766 582 C CB -1.443 26.389 27.740 0.154 0.000 2.046 582 C HN 0.560 nan 8.230 nan 0.000 0.475 583 V N -0.558 119.401 119.914 0.075 0.000 2.358 583 V HA -0.233 3.887 4.120 0.001 0.000 0.246 583 V C 2.271 178.437 176.094 0.121 0.000 1.047 583 V CA 1.992 64.326 62.300 0.056 0.000 1.035 583 V CB -0.856 30.965 31.823 -0.003 0.000 0.658 583 V HN 0.671 nan 8.190 nan 0.000 0.452 584 H N -0.566 118.446 119.070 -0.096 0.000 2.423 584 H HA -0.094 4.463 4.556 0.001 0.000 0.297 584 H C 2.313 177.663 175.328 0.036 0.000 1.075 584 H CA 1.002 57.006 56.048 -0.073 0.000 1.342 584 H CB 0.150 29.846 29.762 -0.110 0.000 1.395 584 H HN 0.486 nan 8.280 nan 0.000 0.530 585 A N 0.375 123.348 122.820 0.255 0.000 1.877 585 A HA -0.206 4.115 4.320 0.001 0.000 0.216 585 A C 2.563 180.181 177.584 0.058 0.000 1.186 585 A CA 1.737 53.869 52.037 0.159 0.000 0.620 585 A CB -0.794 18.274 19.000 0.113 0.000 0.822 585 A HN 0.395 nan 8.150 nan 0.000 0.443 586 S N -0.245 115.490 115.700 0.058 0.000 2.356 586 S HA -0.131 4.339 4.470 0.001 0.000 0.223 586 S C 1.976 176.592 174.600 0.027 0.000 1.032 586 S CA 1.595 59.815 58.200 0.033 0.000 1.005 586 S CB -0.573 62.647 63.200 0.034 0.000 0.867 586 S HN 0.464 nan 8.310 nan 0.000 0.449 587 L N 0.926 122.156 121.223 0.012 0.000 2.083 587 L HA -0.018 4.322 4.340 0.001 0.000 0.209 587 L C 3.032 179.889 176.870 -0.021 0.000 1.083 587 L CA 1.188 56.015 54.840 -0.021 0.000 0.752 587 L CB -0.745 41.264 42.059 -0.084 0.000 0.899 587 L HN 0.454 nan 8.230 nan 0.000 0.433 588 A N 0.284 123.095 122.820 -0.015 0.000 1.872 588 A HA -0.058 4.263 4.320 0.001 0.000 0.214 588 A C 2.177 179.793 177.584 0.053 0.000 1.187 588 A CA 1.075 53.113 52.037 0.002 0.000 0.614 588 A CB -0.560 18.446 19.000 0.010 0.000 0.826 588 A HN 0.356 nan 8.150 nan 0.000 0.442 589 L N -0.996 120.270 121.223 0.072 0.000 2.313 589 L HA -0.014 4.327 4.340 0.001 0.000 0.214 589 L C 2.599 179.599 176.870 0.217 0.000 1.119 589 L CA 1.097 56.040 54.840 0.172 0.000 0.809 589 L CB -0.408 41.675 42.059 0.041 0.000 0.933 589 L HN 0.451 nan 8.230 nan 0.000 0.449 590 R N 1.067 121.633 120.500 0.110 0.000 2.057 590 R HA -0.214 4.127 4.340 0.001 0.000 0.229 590 R C 2.240 178.574 176.300 0.056 0.000 1.136 590 R CA 1.722 57.873 56.100 0.085 0.000 0.952 590 R CB -0.084 30.245 30.300 0.049 0.000 0.848 590 R HN 0.261 nan 8.270 nan 0.000 0.430 591 E N 0.628 120.850 120.200 0.037 0.000 2.130 591 E HA -0.218 4.132 4.350 0.001 0.000 0.196 591 E C 0.988 177.597 176.600 0.015 0.000 0.998 591 E CA 2.063 58.472 56.400 0.016 0.000 0.806 591 E CB -0.167 29.534 29.700 0.002 0.000 0.738 591 E HN 0.354 nan 8.360 nan 0.000 0.459 592 D N -1.449 118.979 120.400 0.047 0.000 2.363 592 D HA 0.092 4.733 4.640 0.001 0.000 0.220 592 D C 0.994 177.248 176.300 -0.077 0.000 0.994 592 D CA 1.119 55.133 54.000 0.023 0.000 0.890 592 D CB 0.452 41.323 40.800 0.118 0.000 0.906 592 D HN 0.405 nan 8.370 nan 0.000 0.530 593 G N -1.080 107.684 108.800 -0.061 0.000 2.184 593 G HA2 -0.249 3.712 3.960 0.001 0.000 0.206 593 G HA3 -0.249 3.712 3.960 0.001 0.000 0.206 593 G C -0.053 174.733 174.900 -0.190 0.000 0.995 593 G CA -0.516 44.499 45.100 -0.142 0.000 0.651 593 G HN 0.238 nan 8.290 nan 0.000 0.511 594 Y N 0.820 121.117 120.300 -0.006 0.000 2.300 594 Y HA 0.539 5.090 4.550 0.001 0.000 0.328 594 Y C 0.909 176.808 175.900 -0.002 0.000 1.270 594 Y CA -0.363 57.734 58.100 -0.005 0.000 1.352 594 Y CB 0.798 39.253 38.460 -0.009 0.000 1.286 594 Y HN 0.168 nan 8.280 nan 0.000 0.536 595 E N 1.476 121.793 120.200 0.194 0.000 2.089 595 E HA 0.175 4.525 4.350 0.001 0.000 0.284 595 E C -0.937 175.725 176.600 0.105 0.000 1.023 595 E CA -0.546 55.919 56.400 0.109 0.000 0.819 595 E CB 0.455 30.199 29.700 0.074 0.000 1.076 595 E HN 0.661 nan 8.360 nan 0.000 0.396 596 T N 2.651 117.254 114.554 0.082 0.000 2.771 596 T HA 0.479 4.829 4.350 0.001 0.000 0.291 596 T C 0.212 174.943 174.700 0.052 0.000 0.954 596 T CA -0.676 61.457 62.100 0.056 0.000 1.045 596 T CB 0.461 69.357 68.868 0.047 0.000 0.917 596 T HN 0.323 nan 8.240 nan 0.000 0.484 597 I N 3.659 124.260 120.570 0.050 0.000 2.382 597 I HA 0.395 4.565 4.170 0.001 0.000 0.286 597 I C -0.287 175.874 176.117 0.073 0.000 1.002 597 I CA -0.975 60.376 61.300 0.085 0.000 1.135 597 I CB 1.822 39.887 38.000 0.109 0.000 1.288 597 I HN 0.558 nan 8.210 nan 0.000 0.448 598 M N 7.907 127.558 119.600 0.085 0.000 2.268 598 M HA 0.507 4.987 4.480 0.001 0.000 0.344 598 M C -1.350 175.003 176.300 0.088 0.000 1.106 598 M CA -0.360 54.974 55.300 0.057 0.000 1.010 598 M CB 1.498 34.115 32.600 0.027 0.000 1.649 598 M HN 0.280 nan 8.290 nan 0.000 0.443 599 V N 5.717 125.656 119.914 0.042 0.000 2.378 599 V HA 0.716 4.837 4.120 0.001 0.000 0.288 599 V C -0.560 175.510 176.094 -0.040 0.000 1.016 599 V CA -0.550 61.770 62.300 0.034 0.000 0.840 599 V CB 1.154 32.980 31.823 0.004 0.000 0.994 599 V HN 0.950 nan 8.190 nan 0.000 0.431 600 N N 2.489 121.119 118.700 -0.117 0.000 3.322 600 N HA 0.420 5.161 4.740 0.001 0.000 0.233 600 N C -0.407 174.768 175.510 -0.559 0.000 1.399 600 N CA -0.129 52.778 53.050 -0.239 0.000 0.894 600 N CB 1.796 40.164 38.487 -0.199 0.000 1.440 600 N HN 0.689 nan 8.380 nan 0.000 0.503 601 C N -0.307 118.651 119.300 -0.571 0.000 3.489 601 C HA 0.521 4.982 4.460 0.001 0.000 0.264 601 C C 0.023 174.773 174.990 -0.400 0.000 2.026 601 C CA -0.945 57.575 59.018 -0.830 0.000 1.705 601 C CB -1.453 26.155 27.740 -0.220 0.000 3.389 601 C HN 0.583 nan 8.230 nan 0.000 0.459 602 N N 3.254 121.767 118.700 -0.310 0.000 2.415 602 N HA 0.314 5.055 4.740 0.001 0.000 0.246 602 N C -1.198 174.291 175.510 -0.034 0.000 1.078 602 N CA -1.982 51.004 53.050 -0.108 0.000 0.942 602 N CB 1.546 39.976 38.487 -0.095 0.000 1.140 602 N HN 0.290 nan 8.380 nan 0.000 0.501 603 P HA -0.028 nan 4.420 nan 0.000 0.229 603 P C 0.408 177.645 177.300 -0.104 0.000 1.160 603 P CA 0.970 64.157 63.100 0.144 0.000 0.777 603 P CB 0.506 32.289 31.700 0.139 0.000 0.814 604 E N -0.170 119.967 120.200 -0.105 0.000 2.285 604 E HA -0.020 4.331 4.350 0.001 0.000 0.194 604 E C 0.844 177.357 176.600 -0.144 0.000 0.997 604 E CA 0.632 56.947 56.400 -0.142 0.000 0.845 604 E CB -0.097 29.548 29.700 -0.091 0.000 0.782 604 E HN 0.384 nan 8.360 nan 0.000 0.491 605 T N -2.683 111.793 114.554 -0.129 0.000 2.881 605 T HA 0.189 4.540 4.350 0.001 0.000 0.278 605 T C 1.274 175.951 174.700 -0.038 0.000 0.982 605 T CA -0.797 61.271 62.100 -0.054 0.000 0.989 605 T CB 1.749 70.600 68.868 -0.029 0.000 1.058 605 T HN -0.235 nan 8.240 nan 0.000 0.529 606 V N 1.557 121.520 119.914 0.081 0.000 2.667 606 V HA -0.116 4.004 4.120 0.001 0.000 0.252 606 V C 3.020 179.137 176.094 0.039 0.000 1.065 606 V CA 1.936 64.314 62.300 0.130 0.000 1.083 606 V CB -0.970 30.921 31.823 0.113 0.000 0.692 606 V HN 1.103 nan 8.190 nan 0.000 0.468 607 S N 1.046 116.749 115.700 0.004 0.000 2.382 607 S HA -0.200 4.270 4.470 0.001 0.000 0.228 607 S C 1.787 176.354 174.600 -0.055 0.000 1.027 607 S CA 1.760 59.949 58.200 -0.018 0.000 0.991 607 S CB -0.870 62.321 63.200 -0.016 0.000 0.823 607 S HN 0.706 nan 8.310 nan 0.000 0.469 608 T N -0.901 113.601 114.554 -0.088 0.000 3.235 608 T HA 0.215 4.566 4.350 0.001 0.000 0.251 608 T C -0.066 174.570 174.700 -0.107 0.000 1.060 608 T CA -0.305 61.739 62.100 -0.092 0.000 0.949 608 T CB -0.328 68.497 68.868 -0.071 0.000 1.020 608 T HN 0.288 nan 8.240 nan 0.000 0.564 609 D N 1.414 121.757 120.400 -0.094 0.000 2.249 609 D HA 0.099 4.740 4.640 0.001 0.000 0.246 609 D C 1.111 177.281 176.300 -0.216 0.000 1.114 609 D CA -0.957 52.968 54.000 -0.124 0.000 0.854 609 D CB 0.848 41.665 40.800 0.029 0.000 1.132 609 D HN 0.412 nan 8.370 nan 0.000 0.461 610 Y N 2.088 122.323 120.300 -0.108 0.000 2.298 610 Y HA -0.119 4.432 4.550 0.001 0.000 0.287 610 Y C 1.240 177.122 175.900 -0.030 0.000 1.164 610 Y CA 0.913 58.941 58.100 -0.119 0.000 1.229 610 Y CB -0.468 37.932 38.460 -0.100 0.000 0.977 610 Y HN 0.242 nan 8.280 nan 0.000 0.538 611 D N 0.140 120.448 120.400 -0.153 0.000 2.312 611 D HA -0.078 4.562 4.640 0.001 0.000 0.211 611 D C 1.676 177.970 176.300 -0.010 0.000 0.964 611 D CA 1.457 55.442 54.000 -0.024 0.000 0.877 611 D CB -0.159 40.577 40.800 -0.107 0.000 0.924 611 D HN 0.502 nan 8.370 nan 0.000 0.515 612 T N -0.301 114.236 114.554 -0.028 0.000 2.995 612 T HA -0.005 4.345 4.350 0.001 0.000 0.269 612 T C 1.131 175.838 174.700 0.011 0.000 1.091 612 T CA 0.528 62.624 62.100 -0.007 0.000 1.128 612 T CB 0.209 69.071 68.868 -0.009 0.000 0.891 612 T HN 0.198 nan 8.240 nan 0.000 0.492 613 S N -0.358 115.355 115.700 0.023 0.000 2.720 613 S HA 0.443 4.914 4.470 0.001 0.000 0.287 613 S C -0.083 174.542 174.600 0.041 0.000 1.168 613 S CA -0.925 57.294 58.200 0.031 0.000 0.832 613 S CB 1.505 64.722 63.200 0.029 0.000 1.166 613 S HN -0.103 nan 8.310 nan 0.000 0.493 614 D N 0.491 120.915 120.400 0.040 0.000 2.162 614 D HA 0.131 4.772 4.640 0.001 0.000 0.205 614 D C 0.159 176.473 176.300 0.024 0.000 0.964 614 D CA 1.026 55.048 54.000 0.037 0.000 0.847 614 D CB 0.161 40.984 40.800 0.038 0.000 0.988 614 D HN 0.392 nan 8.370 nan 0.000 0.480 615 R N 0.201 120.710 120.500 0.015 0.000 2.532 615 R HA 0.479 4.820 4.340 0.001 0.000 0.297 615 R C -1.268 175.015 176.300 -0.029 0.000 0.984 615 R CA -0.761 55.316 56.100 -0.038 0.000 0.884 615 R CB 2.423 32.695 30.300 -0.047 0.000 1.182 615 R HN -0.081 nan 8.270 nan 0.000 0.442 616 L N 3.038 124.219 121.223 -0.070 0.000 2.349 616 L HA 0.460 4.800 4.340 0.001 0.000 0.278 616 L C -1.726 175.143 176.870 -0.002 0.000 0.996 616 L CA -0.502 54.339 54.840 0.003 0.000 0.825 616 L CB 1.082 43.136 42.059 -0.008 0.000 1.243 616 L HN 0.521 nan 8.230 nan 0.000 0.412 617 Y N 5.287 125.657 120.300 0.117 0.000 2.402 617 Y HA 0.337 4.887 4.550 0.001 0.000 0.332 617 Y C -0.442 175.582 175.900 0.206 0.000 0.960 617 Y CA -0.232 57.969 58.100 0.169 0.000 1.228 617 Y CB 1.155 39.647 38.460 0.053 0.000 1.120 617 Y HN 0.560 nan 8.280 nan 0.000 0.491 618 F N 4.643 124.799 119.950 0.344 0.000 2.652 618 F HA 0.245 4.772 4.527 0.001 0.000 0.352 618 F C 0.027 175.973 175.800 0.243 0.000 1.259 618 F CA -0.084 58.081 58.000 0.276 0.000 1.249 618 F CB -0.319 38.907 39.000 0.376 0.000 1.628 618 F HN 0.422 nan 8.300 nan 0.000 0.654 619 E N 3.803 124.138 120.200 0.225 0.000 2.359 619 E HA 0.396 4.747 4.350 0.001 0.000 0.266 619 E C -2.637 174.018 176.600 0.092 0.000 0.920 619 E CA -2.364 54.168 56.400 0.221 0.000 0.788 619 E CB 1.456 31.296 29.700 0.234 0.000 1.279 619 E HN 0.064 nan 8.360 nan 0.000 0.438 620 P HA 0.036 nan 4.420 nan 0.000 0.267 620 P C 0.017 177.333 177.300 0.027 0.000 1.205 620 P CA -0.011 63.120 63.100 0.052 0.000 0.765 620 P CB 0.376 32.114 31.700 0.062 0.000 0.828 621 V N 3.749 123.661 119.914 -0.003 0.000 2.008 621 V HA 0.082 4.203 4.120 0.001 0.000 0.262 621 V C 1.069 177.158 176.094 -0.007 0.000 1.580 621 V CA 0.289 62.581 62.300 -0.013 0.000 1.515 621 V CB -1.414 30.390 31.823 -0.032 0.000 1.474 621 V HN 0.650 nan 8.190 nan 0.000 0.504 622 T N -1.134 113.424 114.554 0.007 0.000 2.950 622 T HA 0.524 4.874 4.350 0.001 0.000 0.288 622 T C 0.786 175.492 174.700 0.010 0.000 1.035 622 T CA -0.668 61.438 62.100 0.010 0.000 1.028 622 T CB 2.166 71.049 68.868 0.025 0.000 1.109 622 T HN 0.087 nan 8.240 nan 0.000 0.514 623 L N 0.897 122.125 121.223 0.008 0.000 2.012 623 L HA 0.025 4.365 4.340 0.001 0.000 0.210 623 L C 2.657 179.540 176.870 0.022 0.000 1.073 623 L CA 2.372 57.217 54.840 0.008 0.000 0.748 623 L CB -0.869 41.193 42.059 0.005 0.000 0.891 623 L HN 1.003 nan 8.230 nan 0.000 0.431 624 E N -0.691 119.530 120.200 0.035 0.000 2.038 624 E HA -0.265 4.085 4.350 0.001 0.000 0.195 624 E C 1.707 178.348 176.600 0.068 0.000 1.000 624 E CA 1.827 58.261 56.400 0.056 0.000 0.803 624 E CB -0.233 29.507 29.700 0.066 0.000 0.750 624 E HN 0.628 nan 8.360 nan 0.000 0.448 625 D N 0.084 120.523 120.400 0.065 0.000 2.144 625 D HA -0.123 4.518 4.640 0.001 0.000 0.200 625 D C 2.132 178.452 176.300 0.035 0.000 0.978 625 D CA 1.069 55.115 54.000 0.076 0.000 0.833 625 D CB 0.101 40.954 40.800 0.088 0.000 0.961 625 D HN 0.176 nan 8.370 nan 0.000 0.470 626 V N 1.452 121.369 119.914 0.006 0.000 2.453 626 V HA -0.155 3.965 4.120 0.001 0.000 0.247 626 V C 2.616 178.686 176.094 -0.041 0.000 1.048 626 V CA 0.822 63.099 62.300 -0.038 0.000 1.049 626 V CB -0.328 31.473 31.823 -0.036 0.000 0.672 626 V HN 0.159 nan 8.190 nan 0.000 0.457 627 L N -0.454 120.766 121.223 -0.005 0.000 2.093 627 L HA -0.122 4.219 4.340 0.001 0.000 0.208 627 L C 2.726 179.602 176.870 0.009 0.000 1.085 627 L CA 1.224 56.064 54.840 0.000 0.000 0.755 627 L CB -0.608 41.466 42.059 0.025 0.000 0.904 627 L HN 0.308 nan 8.230 nan 0.000 0.435 628 E N 0.355 120.586 120.200 0.052 0.000 2.110 628 E HA -0.192 4.159 4.350 0.001 0.000 0.193 628 E C 2.252 178.869 176.600 0.029 0.000 0.988 628 E CA 1.262 57.722 56.400 0.100 0.000 0.804 628 E CB -0.156 29.658 29.700 0.191 0.000 0.745 628 E HN 0.548 nan 8.360 nan 0.000 0.458 629 I N 0.333 120.844 120.570 -0.100 0.000 2.252 629 I HA -0.213 3.958 4.170 0.001 0.000 0.245 629 I C 2.421 178.382 176.117 -0.260 0.000 1.102 629 I CA 0.607 61.680 61.300 -0.379 0.000 1.385 629 I CB -0.233 37.402 38.000 -0.609 0.000 1.064 629 I HN -0.072 nan 8.210 nan 0.000 0.414 630 V N 0.987 120.804 119.914 -0.162 0.000 2.407 630 V HA -0.292 3.828 4.120 0.001 0.000 0.248 630 V C 2.663 178.710 176.094 -0.080 0.000 1.055 630 V CA 1.835 64.070 62.300 -0.109 0.000 1.049 630 V CB -0.781 30.997 31.823 -0.075 0.000 0.662 630 V HN 0.423 nan 8.190 nan 0.000 0.455 631 R N 0.482 120.943 120.500 -0.066 0.000 2.113 631 R HA -0.223 4.118 4.340 0.001 0.000 0.244 631 R C 2.237 178.498 176.300 -0.065 0.000 1.142 631 R CA 2.649 58.712 56.100 -0.061 0.000 0.953 631 R CB -0.352 29.910 30.300 -0.064 0.000 0.860 631 R HN 0.723 nan 8.270 nan 0.000 0.438 632 I N -2.506 118.024 120.570 -0.067 0.000 3.035 632 I HA 0.070 4.241 4.170 0.001 0.000 0.271 632 I C 1.541 177.631 176.117 -0.045 0.000 1.190 632 I CA 0.616 61.888 61.300 -0.048 0.000 1.472 632 I CB -0.065 37.925 38.000 -0.017 0.000 1.116 632 I HN -0.056 nan 8.210 nan 0.000 0.443 633 E N 1.994 122.152 120.200 -0.070 0.000 2.122 633 E HA -0.033 4.318 4.350 0.001 0.000 0.190 633 E C 0.225 176.809 176.600 -0.026 0.000 0.977 633 E CA 0.334 56.711 56.400 -0.039 0.000 0.820 633 E CB -0.079 29.591 29.700 -0.050 0.000 0.770 633 E HN 0.477 nan 8.360 nan 0.000 0.462 634 K N 1.210 121.587 120.400 -0.037 0.000 3.689 634 K HA -0.143 4.177 4.320 0.001 0.000 0.276 634 K C -2.421 174.170 176.600 -0.016 0.000 0.932 634 K CA 0.130 56.401 56.287 -0.026 0.000 0.758 634 K CB -1.129 31.360 32.500 -0.018 0.000 1.500 634 K HN 0.212 nan 8.250 nan 0.000 0.448 635 P HA -0.036 nan 4.420 nan 0.000 0.274 635 P C 0.346 177.640 177.300 -0.010 0.000 1.260 635 P CA -0.202 62.889 63.100 -0.014 0.000 0.793 635 P CB 0.785 32.466 31.700 -0.031 0.000 1.048 636 K N -0.656 119.742 120.400 -0.003 0.000 2.202 636 K HA 0.157 4.478 4.320 0.001 0.000 0.201 636 K C 0.734 177.316 176.600 -0.030 0.000 1.051 636 K CA 0.807 57.094 56.287 0.000 0.000 0.977 636 K CB -0.129 32.393 32.500 0.038 0.000 0.792 636 K HN 0.665 nan 8.250 nan 0.000 0.469 637 G N -0.019 108.744 108.800 -0.062 0.000 2.690 637 G HA2 0.507 4.468 3.960 0.001 0.000 0.293 637 G HA3 0.507 4.468 3.960 0.001 0.000 0.293 637 G C -1.838 173.004 174.900 -0.097 0.000 1.399 637 G CA -0.573 44.475 45.100 -0.087 0.000 0.890 637 G HN -0.039 nan 8.290 nan 0.000 0.485 638 V N 1.385 121.243 119.914 -0.094 0.000 2.569 638 V HA 0.418 4.539 4.120 0.001 0.000 0.301 638 V C -0.284 175.745 176.094 -0.108 0.000 1.044 638 V CA -0.564 61.680 62.300 -0.093 0.000 0.874 638 V CB 1.629 33.410 31.823 -0.070 0.000 1.002 638 V HN 0.683 nan 8.190 nan 0.000 0.424 639 I N 5.131 125.621 120.570 -0.133 0.000 2.325 639 I HA 0.267 4.438 4.170 0.001 0.000 0.291 639 I C 0.867 176.922 176.117 -0.103 0.000 1.019 639 I CA -0.193 61.005 61.300 -0.169 0.000 1.302 639 I CB 1.717 39.545 38.000 -0.287 0.000 1.401 639 I HN 0.627 nan 8.210 nan 0.000 0.485 640 V N 2.072 121.945 119.914 -0.069 0.000 3.477 640 V HA 0.167 4.287 4.120 0.001 0.000 0.297 640 V C 1.017 177.126 176.094 0.024 0.000 1.433 640 V CA 0.116 62.403 62.300 -0.023 0.000 1.052 640 V CB 0.165 31.972 31.823 -0.027 0.000 0.895 640 V HN 0.738 nan 8.190 nan 0.000 0.438 641 Q N -0.639 119.192 119.800 0.052 0.000 2.360 641 Q HA 0.302 4.643 4.340 0.001 0.000 0.202 641 Q C 1.104 177.354 176.000 0.417 0.000 0.915 641 Q CA 0.688 56.595 55.803 0.173 0.000 0.943 641 Q CB -0.017 28.819 28.738 0.163 0.000 1.064 641 Q HN 0.753 nan 8.270 nan 0.000 0.511 642 Y N -1.580 118.753 120.300 0.054 0.000 2.481 642 Y HA 0.407 4.958 4.550 0.001 0.000 0.247 642 Y C 1.639 177.627 175.900 0.147 0.000 1.151 642 Y CA -0.354 57.813 58.100 0.112 0.000 1.238 642 Y CB 0.704 39.211 38.460 0.078 0.000 1.179 642 Y HN 0.071 nan 8.280 nan 0.000 0.524 643 G N -0.758 108.163 108.800 0.202 0.000 3.502 643 G HA2 0.451 4.412 3.960 0.001 0.000 0.267 643 G HA3 0.451 4.412 3.960 0.001 0.000 0.267 643 G C 0.855 175.683 174.900 -0.121 0.000 1.090 643 G CA 0.304 45.463 45.100 0.097 0.000 0.795 643 G HN 0.529 nan 8.290 nan 0.000 0.535 644 G N 0.237 108.883 108.800 -0.257 0.000 2.584 644 G HA2 -0.279 3.682 3.960 0.001 0.000 0.229 644 G HA3 -0.279 3.682 3.960 0.001 0.000 0.229 644 G C 0.834 175.538 174.900 -0.327 0.000 1.320 644 G CA 0.188 44.885 45.100 -0.671 0.000 0.891 644 G HN 0.125 nan 8.290 nan 0.000 0.573 645 Q N -0.528 119.069 119.800 -0.338 0.000 2.096 645 Q HA -0.096 4.245 4.340 0.001 0.000 0.204 645 Q C 2.974 178.895 176.000 -0.131 0.000 0.982 645 Q CA 2.494 58.182 55.803 -0.192 0.000 0.850 645 Q CB -1.084 27.552 28.738 -0.169 0.000 0.901 645 Q HN 0.739 nan 8.270 nan 0.000 0.422 646 T N 1.929 116.403 114.554 -0.133 0.000 2.580 646 T HA -0.141 4.210 4.350 0.001 0.000 0.265 646 T C -1.023 173.638 174.700 -0.064 0.000 1.063 646 T CA 2.131 64.178 62.100 -0.087 0.000 1.170 646 T CB -1.159 67.660 68.868 -0.081 0.000 0.863 646 T HN 0.281 nan 8.240 nan 0.000 0.418 647 P HA 0.046 nan 4.420 nan 0.000 0.219 647 P C 1.692 178.970 177.300 -0.036 0.000 1.150 647 P CA 0.646 63.723 63.100 -0.038 0.000 0.814 647 P CB -0.188 31.499 31.700 -0.021 0.000 0.787 648 L N 0.215 121.411 121.223 -0.046 0.000 2.017 648 L HA -0.119 4.221 4.340 0.001 0.000 0.208 648 L C 2.386 179.233 176.870 -0.038 0.000 1.073 648 L CA 2.015 56.832 54.840 -0.039 0.000 0.745 648 L CB -0.903 41.126 42.059 -0.050 0.000 0.894 648 L HN -0.200 nan 8.230 nan 0.000 0.432 649 K N -0.908 119.465 120.400 -0.045 0.000 2.280 649 K HA -0.124 4.197 4.320 0.001 0.000 0.202 649 K C 1.870 178.452 176.600 -0.029 0.000 1.047 649 K CA 1.083 57.347 56.287 -0.038 0.000 0.942 649 K CB -0.129 32.346 32.500 -0.043 0.000 0.739 649 K HN 0.358 nan 8.250 nan 0.000 0.457 650 L N -0.430 120.776 121.223 -0.028 0.000 2.375 650 L HA 0.031 4.372 4.340 0.001 0.000 0.215 650 L C 2.376 179.234 176.870 -0.021 0.000 1.108 650 L CA 0.201 55.028 54.840 -0.023 0.000 0.830 650 L CB -0.437 41.608 42.059 -0.023 0.000 0.959 650 L HN 0.120 nan 8.230 nan 0.000 0.457 651 A N 0.991 123.797 122.820 -0.023 0.000 1.894 651 A HA -0.341 3.980 4.320 0.001 0.000 0.220 651 A C 2.381 179.955 177.584 -0.018 0.000 1.237 651 A CA 2.427 54.451 52.037 -0.021 0.000 0.660 651 A CB -0.641 18.347 19.000 -0.020 0.000 0.835 651 A HN 0.319 nan 8.150 nan 0.000 0.461 652 R N -1.046 119.444 120.500 -0.016 0.000 2.080 652 R HA -0.092 4.249 4.340 0.001 0.000 0.236 652 R C 2.526 178.819 176.300 -0.012 0.000 1.137 652 R CA 1.559 57.651 56.100 -0.013 0.000 0.943 652 R CB -0.487 29.805 30.300 -0.013 0.000 0.846 652 R HN 0.553 nan 8.270 nan 0.000 0.431 653 A N 0.598 123.410 122.820 -0.012 0.000 1.933 653 A HA -0.135 4.186 4.320 0.001 0.000 0.218 653 A C 2.130 179.708 177.584 -0.010 0.000 1.175 653 A CA 1.186 53.217 52.037 -0.010 0.000 0.628 653 A CB -0.545 18.450 19.000 -0.008 0.000 0.814 653 A HN 0.233 nan 8.150 nan 0.000 0.444 654 L N -0.930 120.285 121.223 -0.014 0.000 2.017 654 L HA -0.223 4.117 4.340 0.001 0.000 0.208 654 L C 2.687 179.547 176.870 -0.016 0.000 1.073 654 L CA 1.963 56.793 54.840 -0.016 0.000 0.745 654 L CB -0.592 41.454 42.059 -0.022 0.000 0.894 654 L HN 0.567 nan 8.230 nan 0.000 0.432 655 E N 0.329 120.520 120.200 -0.016 0.000 2.058 655 E HA -0.267 4.083 4.350 0.001 0.000 0.194 655 E C 2.197 178.791 176.600 -0.011 0.000 0.997 655 E CA 1.316 57.708 56.400 -0.014 0.000 0.801 655 E CB -0.039 29.653 29.700 -0.013 0.000 0.746 655 E HN 0.462 nan 8.360 nan 0.000 0.450 656 A N 0.781 123.596 122.820 -0.009 0.000 2.019 656 A HA -0.038 4.282 4.320 0.001 0.000 0.219 656 A C 2.190 179.771 177.584 -0.006 0.000 1.164 656 A CA 1.504 53.537 52.037 -0.007 0.000 0.644 656 A CB -0.435 18.561 19.000 -0.006 0.000 0.805 656 A HN 0.366 nan 8.150 nan 0.000 0.449 657 A N -1.870 120.947 122.820 -0.006 0.000 2.238 657 A HA 0.421 4.742 4.320 0.001 0.000 0.208 657 A C 1.653 179.234 177.584 -0.006 0.000 1.177 657 A CA 1.149 53.184 52.037 -0.004 0.000 0.804 657 A CB -0.856 18.143 19.000 -0.002 0.000 0.823 657 A HN 1.834 nan 8.150 nan 0.000 0.482 658 G N -1.781 107.014 108.800 -0.008 0.000 2.159 658 G HA2 -0.172 3.789 3.960 0.001 0.000 0.227 658 G HA3 -0.172 3.789 3.960 0.001 0.000 0.227 658 G C 0.098 174.989 174.900 -0.015 0.000 0.986 658 G CA -0.016 45.078 45.100 -0.010 0.000 0.651 658 G HN 0.692 nan 8.290 nan 0.000 0.523 659 V N 2.396 122.300 119.914 -0.018 0.000 2.530 659 V HA 0.376 4.497 4.120 0.001 0.000 0.282 659 V C -1.106 174.973 176.094 -0.026 0.000 1.048 659 V CA -0.877 61.408 62.300 -0.024 0.000 0.997 659 V CB 1.330 33.135 31.823 -0.029 0.000 0.987 659 V HN 0.197 nan 8.190 nan 0.000 0.477 660 P HA 0.079 nan 4.420 nan 0.000 0.238 660 P C -0.210 177.066 177.300 -0.039 0.000 1.729 660 P CA 0.031 63.113 63.100 -0.029 0.000 1.055 660 P CB -0.254 31.428 31.700 -0.029 0.000 1.980 661 V N 4.292 124.184 119.914 -0.036 0.000 2.529 661 V HA 0.028 4.148 4.120 0.001 0.000 0.292 661 V C 1.314 177.380 176.094 -0.048 0.000 1.028 661 V CA -0.084 62.190 62.300 -0.044 0.000 1.074 661 V CB 0.038 31.839 31.823 -0.036 0.000 0.958 661 V HN 0.332 nan 8.190 nan 0.000 0.481 662 I N 2.298 122.827 120.570 -0.068 0.000 2.924 662 I HA 0.994 5.164 4.170 0.001 0.000 0.316 662 I C 0.718 176.792 176.117 -0.072 0.000 1.014 662 I CA -0.047 61.210 61.300 -0.072 0.000 1.106 662 I CB 1.499 39.442 38.000 -0.095 0.000 1.311 662 I HN 0.880 nan 8.210 nan 0.000 0.502 663 G N 2.355 111.119 108.800 -0.060 0.000 2.645 663 G HA2 -0.209 3.752 3.960 0.001 0.000 0.239 663 G HA3 -0.209 3.752 3.960 0.001 0.000 0.239 663 G C -0.096 174.793 174.900 -0.019 0.000 1.331 663 G CA -0.185 44.889 45.100 -0.043 0.000 0.890 663 G HN 1.007 nan 8.290 nan 0.000 0.572 664 T N 1.468 116.019 114.554 -0.004 0.000 2.800 664 T HA 0.382 4.733 4.350 0.001 0.000 0.283 664 T C 1.382 176.083 174.700 0.000 0.000 0.999 664 T CA 0.940 63.044 62.100 0.005 0.000 1.176 664 T CB 0.066 68.943 68.868 0.015 0.000 0.973 664 T HN 1.857 nan 8.240 nan 0.000 0.519 665 S N 4.514 120.215 115.700 0.002 0.000 2.569 665 S HA 0.082 4.553 4.470 0.001 0.000 0.274 665 S C -1.541 173.058 174.600 -0.001 0.000 1.353 665 S CA -1.128 57.072 58.200 -0.001 0.000 1.023 665 S CB 0.527 63.730 63.200 0.004 0.000 0.876 665 S HN 0.321 nan 8.310 nan 0.000 0.540 666 P HA -0.076 nan 4.420 nan 0.000 0.215 666 P C 1.059 178.357 177.300 -0.004 0.000 1.157 666 P CA 1.558 64.654 63.100 -0.007 0.000 0.868 666 P CB -0.181 31.513 31.700 -0.010 0.000 0.788 667 D N -0.832 119.568 120.400 -0.000 0.000 2.149 667 D HA -0.158 4.483 4.640 0.001 0.000 0.198 667 D C 1.867 178.173 176.300 0.010 0.000 0.990 667 D CA 1.388 55.390 54.000 0.003 0.000 0.839 667 D CB -0.483 40.319 40.800 0.004 0.000 0.948 667 D HN -0.028 nan 8.370 nan 0.000 0.460 668 A N -0.085 122.743 122.820 0.013 0.000 1.898 668 A HA -0.095 4.225 4.320 0.001 0.000 0.216 668 A C 2.301 179.895 177.584 0.016 0.000 1.181 668 A CA 1.041 53.091 52.037 0.022 0.000 0.620 668 A CB -0.751 18.263 19.000 0.023 0.000 0.819 668 A HN 0.341 nan 8.150 nan 0.000 0.442 669 I N -0.235 120.337 120.570 0.005 0.000 2.127 669 I HA -0.299 3.871 4.170 0.001 0.000 0.241 669 I C 2.264 178.373 176.117 -0.014 0.000 1.075 669 I CA 2.076 63.371 61.300 -0.007 0.000 1.334 669 I CB -0.409 37.586 38.000 -0.009 0.000 1.040 669 I HN 0.385 nan 8.210 nan 0.000 0.405 670 D N 0.294 120.689 120.400 -0.008 0.000 2.182 670 D HA -0.195 4.446 4.640 0.001 0.000 0.201 670 D C 2.373 178.675 176.300 0.005 0.000 0.986 670 D CA 1.100 55.095 54.000 -0.008 0.000 0.847 670 D CB 0.080 40.876 40.800 -0.007 0.000 0.942 670 D HN 0.074 nan 8.370 nan 0.000 0.467 671 R N -0.169 120.343 120.500 0.021 0.000 2.083 671 R HA -0.118 4.223 4.340 0.001 0.000 0.237 671 R C 2.206 178.558 176.300 0.087 0.000 1.137 671 R CA 1.308 57.440 56.100 0.054 0.000 0.951 671 R CB -0.472 29.868 30.300 0.067 0.000 0.851 671 R HN 0.231 nan 8.270 nan 0.000 0.434 672 A N 1.324 124.167 122.820 0.038 0.000 1.855 672 A HA -0.148 4.172 4.320 0.001 0.000 0.215 672 A C 1.978 179.445 177.584 -0.194 0.000 1.191 672 A CA 1.211 53.212 52.037 -0.060 0.000 0.613 672 A CB -0.346 18.592 19.000 -0.103 0.000 0.829 672 A HN 0.246 nan 8.150 nan 0.000 0.442 673 E N 0.772 120.898 120.200 -0.123 0.000 2.058 673 E HA -0.166 4.184 4.350 0.001 0.000 0.194 673 E C 0.433 176.991 176.600 -0.071 0.000 0.997 673 E CA 0.787 57.116 56.400 -0.118 0.000 0.801 673 E CB -0.619 29.036 29.700 -0.074 0.000 0.746 673 E HN 0.649 nan 8.360 nan 0.000 0.450 674 D N 1.452 121.842 120.400 -0.016 0.000 2.363 674 D HA -0.065 4.575 4.640 0.001 0.000 0.263 674 D C 1.222 177.574 176.300 0.087 0.000 1.258 674 D CA -0.127 53.886 54.000 0.022 0.000 0.907 674 D CB 0.609 41.419 40.800 0.017 0.000 1.107 674 D HN -0.017 nan 8.370 nan 0.000 0.495 675 R N 4.022 124.572 120.500 0.084 0.000 2.140 675 R HA -0.247 4.093 4.340 0.001 0.000 0.250 675 R C 1.549 177.970 176.300 0.202 0.000 1.150 675 R CA 1.303 57.493 56.100 0.151 0.000 0.966 675 R CB -0.682 29.676 30.300 0.097 0.000 0.869 675 R HN 0.582 nan 8.270 nan 0.000 0.445 676 E N 0.497 120.780 120.200 0.137 0.000 2.016 676 E HA -0.035 4.316 4.350 0.001 0.000 0.190 676 E C 2.310 179.002 176.600 0.153 0.000 0.985 676 E CA 0.459 56.944 56.400 0.142 0.000 0.802 676 E CB 0.053 29.775 29.700 0.038 0.000 0.762 676 E HN 0.237 nan 8.360 nan 0.000 0.448 677 R N -0.121 120.405 120.500 0.042 0.000 2.139 677 R HA -0.178 4.162 4.340 0.001 0.000 0.243 677 R C 2.270 178.680 176.300 0.183 0.000 1.145 677 R CA 1.075 57.186 56.100 0.019 0.000 0.976 677 R CB -0.427 29.891 30.300 0.030 0.000 0.866 677 R HN 0.232 nan 8.270 nan 0.000 0.449 678 F N 1.831 121.819 119.950 0.063 0.000 2.098 678 F HA -0.153 4.375 4.527 0.001 0.000 0.294 678 F C 2.681 178.539 175.800 0.097 0.000 1.107 678 F CA 1.529 59.568 58.000 0.065 0.000 1.234 678 F CB -0.622 38.398 39.000 0.034 0.000 1.002 678 F HN -0.059 nan 8.300 nan 0.000 0.472 679 Q N -0.802 119.014 119.800 0.026 0.000 2.152 679 Q HA -0.305 4.035 4.340 0.001 0.000 0.206 679 Q C 2.041 177.967 176.000 -0.123 0.000 0.985 679 Q CA 2.275 58.012 55.803 -0.110 0.000 0.863 679 Q CB -0.342 28.415 28.738 0.032 0.000 0.904 679 Q HN 0.581 nan 8.270 nan 0.000 0.422 680 H N -0.658 118.361 119.070 -0.084 0.000 2.353 680 H HA -0.046 4.510 4.556 0.001 0.000 0.300 680 H C 1.844 177.127 175.328 -0.075 0.000 1.090 680 H CA 1.707 57.721 56.048 -0.056 0.000 1.327 680 H CB -0.164 29.592 29.762 -0.010 0.000 1.383 680 H HN 0.445 nan 8.280 nan 0.000 0.508 681 A N 0.073 122.913 122.820 0.034 0.000 1.872 681 A HA -0.091 4.230 4.320 0.001 0.000 0.214 681 A C 2.585 180.103 177.584 -0.110 0.000 1.187 681 A CA 1.375 53.404 52.037 -0.013 0.000 0.614 681 A CB -0.796 18.225 19.000 0.035 0.000 0.826 681 A HN 0.227 nan 8.150 nan 0.000 0.442 682 V N 0.294 120.039 119.914 -0.281 0.000 2.324 682 V HA -0.342 3.779 4.120 0.001 0.000 0.250 682 V C 2.408 178.400 176.094 -0.169 0.000 1.060 682 V CA 2.487 64.609 62.300 -0.297 0.000 1.042 682 V CB -0.937 30.578 31.823 -0.514 0.000 0.650 682 V HN 0.640 nan 8.190 nan 0.000 0.450 683 E N -0.123 119.980 120.200 -0.162 0.000 2.005 683 E HA -0.294 4.057 4.350 0.001 0.000 0.198 683 E C 2.432 178.983 176.600 -0.081 0.000 1.010 683 E CA 1.805 58.130 56.400 -0.124 0.000 0.825 683 E CB -0.308 29.299 29.700 -0.156 0.000 0.769 683 E HN 0.471 nan 8.360 nan 0.000 0.456 684 R N 0.743 121.207 120.500 -0.062 0.000 2.159 684 R HA -0.228 4.113 4.340 0.001 0.000 0.249 684 R C 2.240 178.526 176.300 -0.024 0.000 1.136 684 R CA 1.775 57.858 56.100 -0.029 0.000 0.951 684 R CB -0.486 29.812 30.300 -0.003 0.000 0.876 684 R HN 0.205 nan 8.270 nan 0.000 0.440 685 L N 0.870 122.078 121.223 -0.026 0.000 2.465 685 L HA -0.021 4.320 4.340 0.001 0.000 0.224 685 L C 0.224 177.081 176.870 -0.021 0.000 1.145 685 L CA 0.590 55.423 54.840 -0.012 0.000 0.834 685 L CB -0.082 41.975 42.059 -0.004 0.000 0.944 685 L HN 0.260 nan 8.230 nan 0.000 0.451 686 K N 1.126 121.502 120.400 -0.040 0.000 3.619 686 K HA -0.157 4.163 4.320 0.001 0.000 0.275 686 K C -0.581 175.992 176.600 -0.045 0.000 0.993 686 K CA 0.631 56.892 56.287 -0.044 0.000 0.787 686 K CB -1.775 30.704 32.500 -0.035 0.000 1.431 686 K HN 0.296 nan 8.250 nan 0.000 0.451 687 L N 0.088 121.278 121.223 -0.055 0.000 2.260 687 L HA 0.457 4.798 4.340 0.001 0.000 0.265 687 L C 0.738 177.567 176.870 -0.069 0.000 1.015 687 L CA -1.084 53.727 54.840 -0.048 0.000 0.826 687 L CB 1.171 43.217 42.059 -0.022 0.000 1.373 687 L HN -0.010 nan 8.230 nan 0.000 0.450 688 K N 1.941 122.296 120.400 -0.074 0.000 2.253 688 K HA 0.336 4.657 4.320 0.001 0.000 0.277 688 K C -1.047 175.558 176.600 0.009 0.000 1.053 688 K CA -0.171 56.050 56.287 -0.110 0.000 0.892 688 K CB 1.544 33.846 32.500 -0.330 0.000 1.102 688 K HN 0.478 nan 8.250 nan 0.000 0.469 689 Q N 3.564 123.398 119.800 0.057 0.000 2.375 689 Q HA 0.406 4.747 4.340 0.001 0.000 0.271 689 Q C -2.385 173.724 176.000 0.182 0.000 1.074 689 Q CA -2.089 53.782 55.803 0.113 0.000 0.808 689 Q CB 2.052 30.792 28.738 0.005 0.000 1.327 689 Q HN 0.321 nan 8.270 nan 0.000 0.441 690 P HA 0.064 nan 4.420 nan 0.000 0.269 690 P C -1.240 176.120 177.300 0.100 0.000 1.209 690 P CA -0.115 63.068 63.100 0.138 0.000 0.776 690 P CB 0.459 32.192 31.700 0.055 0.000 0.876 691 A N 3.132 126.009 122.820 0.096 0.000 2.546 691 A HA 0.257 4.577 4.320 0.001 0.000 0.243 691 A C 0.481 178.092 177.584 0.044 0.000 1.063 691 A CA 0.176 52.242 52.037 0.050 0.000 0.757 691 A CB -1.045 17.961 19.000 0.011 0.000 0.991 691 A HN 0.778 nan 8.150 nan 0.000 0.503 692 N N 0.302 119.018 118.700 0.027 0.000 2.571 692 N HA 0.845 5.586 4.740 0.001 0.000 0.273 692 N C -0.803 174.718 175.510 0.018 0.000 1.340 692 N CA -0.294 52.772 53.050 0.027 0.000 0.789 692 N CB 1.981 40.493 38.487 0.042 0.000 1.514 692 N HN 0.898 nan 8.380 nan 0.000 0.499 693 A N -0.569 122.264 122.820 0.023 0.000 2.610 693 A HA 0.756 5.077 4.320 0.001 0.000 0.291 693 A C -1.469 176.138 177.584 0.039 0.000 1.086 693 A CA -0.737 51.315 52.037 0.026 0.000 0.677 693 A CB 1.507 20.517 19.000 0.018 0.000 1.278 693 A HN 0.597 nan 8.150 nan 0.000 0.414 694 T N 1.454 116.034 114.554 0.043 0.000 3.241 694 T HA 0.452 4.803 4.350 0.001 0.000 0.387 694 T C -0.398 174.335 174.700 0.054 0.000 1.451 694 T CA -0.173 61.958 62.100 0.052 0.000 1.363 694 T CB 0.273 69.172 68.868 0.052 0.000 1.074 694 T HN 0.568 nan 8.240 nan 0.000 0.598 695 V N 2.482 122.439 119.914 0.072 0.000 2.881 695 V HA 0.272 4.392 4.120 0.001 0.000 0.303 695 V C 1.288 177.428 176.094 0.077 0.000 1.070 695 V CA 0.095 62.440 62.300 0.074 0.000 1.074 695 V CB 1.506 33.392 31.823 0.105 0.000 1.012 695 V HN 0.836 nan 8.190 nan 0.000 0.482 696 T N 1.096 115.677 114.554 0.047 0.000 3.058 696 T HA 0.403 4.754 4.350 0.001 0.000 0.247 696 T C 0.385 175.096 174.700 0.018 0.000 0.987 696 T CA 0.674 62.798 62.100 0.040 0.000 1.062 696 T CB 0.575 69.457 68.868 0.023 0.000 1.048 696 T HN 0.792 nan 8.240 nan 0.000 0.468 697 A N 0.325 123.127 122.820 -0.029 0.000 2.350 697 A HA 0.714 5.034 4.320 0.001 0.000 0.318 697 A C 0.744 178.182 177.584 -0.243 0.000 1.132 697 A CA -0.621 51.356 52.037 -0.100 0.000 0.811 697 A CB 0.577 19.532 19.000 -0.076 0.000 1.313 697 A HN 0.072 nan 8.150 nan 0.000 0.454 698 I N 0.807 121.143 120.570 -0.391 0.000 2.044 698 I HA -0.247 3.923 4.170 0.001 0.000 0.234 698 I C 2.235 178.103 176.117 -0.416 0.000 1.031 698 I CA 1.896 62.774 61.300 -0.702 0.000 1.305 698 I CB -0.607 37.088 38.000 -0.509 0.000 1.026 698 I HN 0.715 nan 8.210 nan 0.000 0.392 699 E N -0.070 119.999 120.200 -0.219 0.000 2.219 699 E HA -0.276 4.074 4.350 0.001 0.000 0.198 699 E C 2.177 178.733 176.600 -0.072 0.000 0.998 699 E CA 1.271 57.605 56.400 -0.110 0.000 0.818 699 E CB -0.573 29.084 29.700 -0.071 0.000 0.741 699 E HN 0.565 nan 8.360 nan 0.000 0.477 700 M N 0.011 119.561 119.600 -0.085 0.000 2.175 700 M HA -0.111 4.370 4.480 0.001 0.000 0.264 700 M C 2.128 178.420 176.300 -0.013 0.000 1.063 700 M CA 1.537 56.813 55.300 -0.040 0.000 1.119 700 M CB -0.009 32.567 32.600 -0.039 0.000 1.377 700 M HN 0.106 nan 8.290 nan 0.000 0.415 701 A N -0.554 122.250 122.820 -0.026 0.000 1.929 701 A HA -0.063 4.257 4.320 0.001 0.000 0.216 701 A C 1.955 179.589 177.584 0.083 0.000 1.176 701 A CA 1.336 53.411 52.037 0.063 0.000 0.628 701 A CB -0.912 18.197 19.000 0.180 0.000 0.816 701 A HN 0.387 nan 8.150 nan 0.000 0.444 702 V N 0.457 120.408 119.914 0.060 0.000 2.282 702 V HA -0.313 3.808 4.120 0.001 0.000 0.249 702 V C 2.559 178.716 176.094 0.105 0.000 1.057 702 V CA 2.577 64.946 62.300 0.116 0.000 1.032 702 V CB -0.982 30.886 31.823 0.075 0.000 0.645 702 V HN 0.722 nan 8.190 nan 0.000 0.447 703 E N 1.004 121.237 120.200 0.055 0.000 2.007 703 E HA -0.243 4.107 4.350 0.001 0.000 0.194 703 E C 2.116 178.738 176.600 0.038 0.000 0.999 703 E CA 1.720 58.145 56.400 0.043 0.000 0.811 703 E CB -0.413 29.299 29.700 0.020 0.000 0.762 703 E HN 0.355 nan 8.360 nan 0.000 0.450 704 K N 0.310 120.725 120.400 0.025 0.000 2.074 704 K HA -0.099 4.222 4.320 0.001 0.000 0.209 704 K C 1.922 178.515 176.600 -0.013 0.000 1.048 704 K CA 1.561 57.854 56.287 0.010 0.000 0.926 704 K CB -0.943 31.566 32.500 0.016 0.000 0.713 704 K HN 0.281 nan 8.250 nan 0.000 0.444 705 A N 0.611 123.425 122.820 -0.011 0.000 1.873 705 A HA -0.290 4.030 4.320 0.001 0.000 0.218 705 A C 2.057 179.580 177.584 -0.102 0.000 1.193 705 A CA 2.322 54.281 52.037 -0.130 0.000 0.629 705 A CB -0.593 18.390 19.000 -0.028 0.000 0.826 705 A HN 0.297 nan 8.150 nan 0.000 0.447 706 K N -0.380 120.067 120.400 0.079 0.000 2.059 706 K HA -0.207 4.113 4.320 0.001 0.000 0.212 706 K C 2.087 178.709 176.600 0.038 0.000 1.050 706 K CA 1.968 58.330 56.287 0.124 0.000 0.927 706 K CB -0.224 32.340 32.500 0.107 0.000 0.714 706 K HN 0.678 nan 8.250 nan 0.000 0.447 707 E N 0.204 120.407 120.200 0.005 0.000 2.021 707 E HA -0.235 4.116 4.350 0.001 0.000 0.200 707 E C 2.034 178.604 176.600 -0.050 0.000 1.015 707 E CA 1.751 58.141 56.400 -0.016 0.000 0.824 707 E CB -0.168 29.523 29.700 -0.014 0.000 0.762 707 E HN 0.226 nan 8.360 nan 0.000 0.454 708 I N -0.017 120.509 120.570 -0.074 0.000 2.118 708 I HA -0.207 3.964 4.170 0.001 0.000 0.241 708 I C 1.097 177.104 176.117 -0.183 0.000 1.070 708 I CA 1.241 62.478 61.300 -0.105 0.000 1.327 708 I CB -0.416 37.531 38.000 -0.089 0.000 1.034 708 I HN 0.354 nan 8.210 nan 0.000 0.405 709 G N -0.542 108.150 108.800 -0.181 0.000 3.225 709 G HA2 -0.170 3.791 3.960 0.001 0.000 0.686 709 G HA3 -0.170 3.791 3.960 0.001 0.000 0.686 709 G C -0.767 174.115 174.900 -0.030 0.000 1.105 709 G CA -0.982 44.035 45.100 -0.139 0.000 0.831 709 G HN 0.078 nan 8.290 nan 0.000 0.578 710 Y N 2.278 122.648 120.300 0.117 0.000 2.397 710 Y HA 0.451 5.002 4.550 0.001 0.000 0.335 710 Y C -0.948 175.100 175.900 0.247 0.000 1.213 710 Y CA -1.009 57.179 58.100 0.148 0.000 1.391 710 Y CB 0.463 38.981 38.460 0.097 0.000 1.293 710 Y HN 0.498 nan 8.280 nan 0.000 0.557 711 P HA 0.263 nan 4.420 nan 0.000 0.276 711 P C -1.189 176.062 177.300 -0.081 0.000 1.252 711 P CA -0.346 62.744 63.100 -0.017 0.000 0.802 711 P CB 0.984 32.438 31.700 -0.410 0.000 1.035 712 L N 0.727 121.834 121.223 -0.193 0.000 2.341 712 L HA 0.418 4.758 4.340 0.001 0.000 0.267 712 L C -0.657 176.076 176.870 -0.228 0.000 1.009 712 L CA -0.726 53.998 54.840 -0.193 0.000 0.819 712 L CB 2.310 44.218 42.059 -0.251 0.000 1.323 712 L HN 0.029 nan 8.230 nan 0.000 0.425 713 V N 3.696 123.516 119.914 -0.157 0.000 2.257 713 V HA 0.263 4.383 4.120 0.001 0.000 0.269 713 V C -0.433 175.565 176.094 -0.160 0.000 1.040 713 V CA -0.713 61.494 62.300 -0.155 0.000 0.813 713 V CB 1.224 33.018 31.823 -0.049 0.000 1.065 713 V HN 0.412 nan 8.190 nan 0.000 0.457 714 V N 5.714 125.474 119.914 -0.257 0.000 2.338 714 V HA 0.320 4.441 4.120 0.001 0.000 0.255 714 V C 0.708 176.691 176.094 -0.185 0.000 1.082 714 V CA -0.353 61.782 62.300 -0.275 0.000 0.951 714 V CB -0.185 31.308 31.823 -0.549 0.000 1.102 714 V HN 0.707 nan 8.190 nan 0.000 0.489 715 R N 5.218 125.667 120.500 -0.085 0.000 2.198 715 R HA 0.443 4.784 4.340 0.001 0.000 0.339 715 R C -1.776 174.525 176.300 0.001 0.000 1.020 715 R CA -0.946 55.133 56.100 -0.034 0.000 0.864 715 R CB 1.480 31.772 30.300 -0.014 0.000 1.105 715 R HN 0.587 nan 8.270 nan 0.000 0.463 725 M N 1.222 120.814 119.600 -0.014 0.000 2.274 725 M HA 0.348 4.829 4.480 0.001 0.000 0.272 725 M C -0.864 175.386 176.300 -0.084 0.000 1.053 725 M CA -0.033 55.238 55.300 -0.048 0.000 0.978 725 M CB 2.200 34.782 32.600 -0.030 0.000 1.836 725 M HN 0.966 nan 8.290 nan 0.000 0.484 726 E N 3.409 123.502 120.200 -0.179 0.000 2.339 726 E HA 0.748 5.098 4.350 0.001 0.000 0.262 726 E C -1.526 174.894 176.600 -0.299 0.000 0.934 726 E CA -0.705 55.567 56.400 -0.214 0.000 0.802 726 E CB 2.162 31.756 29.700 -0.176 0.000 1.275 726 E HN 0.690 nan 8.360 nan 0.000 0.427 727 I N 3.001 123.404 120.570 -0.279 0.000 2.420 727 I HA 0.253 4.424 4.170 0.001 0.000 0.282 727 I C -0.812 175.143 176.117 -0.269 0.000 1.019 727 I CA -1.005 60.071 61.300 -0.374 0.000 1.130 727 I CB 1.549 39.217 38.000 -0.553 0.000 1.262 727 I HN 0.276 nan 8.210 nan 0.000 0.454 728 V N 5.680 125.438 119.914 -0.259 0.000 2.567 728 V HA 0.180 4.301 4.120 0.001 0.000 0.289 728 V C 0.088 176.173 176.094 -0.016 0.000 1.049 728 V CA -0.138 62.131 62.300 -0.052 0.000 0.969 728 V CB 1.170 32.976 31.823 -0.029 0.000 0.995 728 V HN 0.578 nan 8.190 nan 0.000 0.471 729 Y N 0.833 121.208 120.300 0.126 0.000 2.535 729 Y HA 0.208 4.758 4.550 0.001 0.000 0.266 729 Y C 0.738 176.684 175.900 0.077 0.000 1.088 729 Y CA -0.132 58.062 58.100 0.156 0.000 1.285 729 Y CB 0.554 39.048 38.460 0.057 0.000 1.166 729 Y HN 0.888 nan 8.280 nan 0.000 0.525 730 D N -1.954 118.459 120.400 0.023 0.000 2.596 730 D HA 0.083 4.724 4.640 0.001 0.000 0.262 730 D C 0.646 176.696 176.300 -0.417 0.000 1.210 730 D CA -0.648 53.052 54.000 -0.500 0.000 0.873 730 D CB 0.565 41.207 40.800 -0.264 0.000 1.408 730 D HN 0.005 nan 8.370 nan 0.000 0.441 731 E N 0.170 120.047 120.200 -0.538 0.000 2.048 731 E HA -0.316 4.035 4.350 0.001 0.000 0.202 731 E C 1.885 178.505 176.600 0.033 0.000 1.021 731 E CA 1.973 58.302 56.400 -0.119 0.000 0.825 731 E CB -0.333 29.319 29.700 -0.080 0.000 0.756 731 E HN 0.531 nan 8.360 nan 0.000 0.454 732 A N 0.810 123.624 122.820 -0.010 0.000 1.948 732 A HA -0.264 4.056 4.320 0.001 0.000 0.220 732 A C 1.852 179.483 177.584 0.078 0.000 1.177 732 A CA 2.204 54.261 52.037 0.034 0.000 0.636 732 A CB -0.748 18.256 19.000 0.007 0.000 0.815 732 A HN 0.374 nan 8.150 nan 0.000 0.449 733 D N -1.144 119.302 120.400 0.076 0.000 2.178 733 D HA -0.098 4.543 4.640 0.001 0.000 0.202 733 D C 1.757 178.172 176.300 0.191 0.000 0.974 733 D CA 0.808 54.882 54.000 0.125 0.000 0.841 733 D CB -0.075 40.808 40.800 0.138 0.000 0.953 733 D HN 0.287 nan 8.370 nan 0.000 0.478 734 L N 1.262 122.633 121.223 0.246 0.000 1.994 734 L HA -0.120 4.220 4.340 0.001 0.000 0.208 734 L C 1.942 179.090 176.870 0.462 0.000 1.071 734 L CA 1.676 56.729 54.840 0.354 0.000 0.745 734 L CB -0.675 41.656 42.059 0.454 0.000 0.892 734 L HN -0.000 nan 8.230 nan 0.000 0.431 735 R N -0.693 120.022 120.500 0.357 0.000 2.097 735 R HA -0.227 4.114 4.340 0.001 0.000 0.236 735 R C 2.291 178.765 176.300 0.290 0.000 1.135 735 R CA 1.556 57.853 56.100 0.327 0.000 0.934 735 R CB -1.027 29.375 30.300 0.170 0.000 0.846 735 R HN 0.338 nan 8.270 nan 0.000 0.431 736 R N 0.316 120.931 120.500 0.193 0.000 2.190 736 R HA -0.280 4.061 4.340 0.001 0.000 0.255 736 R C 2.281 178.662 176.300 0.135 0.000 1.143 736 R CA 2.387 58.568 56.100 0.136 0.000 0.965 736 R CB -0.564 29.806 30.300 0.117 0.000 0.889 736 R HN 0.421 nan 8.270 nan 0.000 0.448 737 Y N -0.299 120.016 120.300 0.025 0.000 2.163 737 Y HA -0.220 4.331 4.550 0.001 0.000 0.288 737 Y C 1.986 177.834 175.900 -0.086 0.000 1.136 737 Y CA 1.704 59.756 58.100 -0.079 0.000 1.147 737 Y CB -0.527 37.806 38.460 -0.212 0.000 0.987 737 Y HN -0.034 nan 8.280 nan 0.000 0.509 738 F N 1.352 121.322 119.950 0.032 0.000 2.184 738 F HA -0.313 4.214 4.527 0.001 0.000 0.301 738 F C 2.617 178.335 175.800 -0.137 0.000 1.076 738 F CA 2.066 60.029 58.000 -0.061 0.000 1.295 738 F CB -0.916 38.130 39.000 0.076 0.000 1.026 738 F HN 0.278 nan 8.300 nan 0.000 0.494 739 Q N 0.167 120.013 119.800 0.077 0.000 1.889 739 Q HA -0.226 4.114 4.340 0.001 0.000 0.211 739 Q C 2.470 178.426 176.000 -0.074 0.000 0.988 739 Q CA 3.023 58.836 55.803 0.017 0.000 0.861 739 Q CB -0.581 28.170 28.738 0.022 0.000 0.922 739 Q HN 0.435 nan 8.270 nan 0.000 0.425 740 T N -0.279 114.202 114.554 -0.122 0.000 2.620 740 T HA -0.189 4.162 4.350 0.001 0.000 0.267 740 T C 1.090 175.634 174.700 -0.260 0.000 1.044 740 T CA 1.079 63.082 62.100 -0.161 0.000 1.161 740 T CB -1.156 67.633 68.868 -0.131 0.000 0.862 740 T HN 0.562 nan 8.240 nan 0.000 0.438 751 L N 5.518 126.769 121.223 0.046 0.000 2.281 751 L HA 0.510 4.851 4.340 0.001 0.000 0.285 751 L C -0.585 176.292 176.870 0.012 0.000 1.074 751 L CA -0.034 54.827 54.840 0.034 0.000 0.817 751 L CB 0.982 43.059 42.059 0.028 0.000 1.168 751 L HN 0.427 nan 8.230 nan 0.000 0.434 752 L N 3.985 125.217 121.223 0.016 0.000 2.309 752 L HA 0.505 4.845 4.340 0.001 0.000 0.282 752 L C -0.729 176.137 176.870 -0.007 0.000 1.036 752 L CA -0.116 54.718 54.840 -0.011 0.000 0.806 752 L CB 1.557 43.614 42.059 -0.004 0.000 1.220 752 L HN 0.501 nan 8.230 nan 0.000 0.429 753 D N -0.676 119.712 120.400 -0.021 0.000 2.947 753 D HA 0.242 4.883 4.640 0.001 0.000 0.224 753 D C -1.042 175.268 176.300 0.016 0.000 1.230 753 D CA -0.544 53.462 54.000 0.010 0.000 0.871 753 D CB 1.218 42.027 40.800 0.016 0.000 1.671 753 D HN 0.460 nan 8.370 nan 0.000 0.507 754 H N 1.718 120.753 119.070 -0.059 0.000 2.886 754 H HA 0.208 4.765 4.556 0.001 0.000 0.329 754 H C -1.008 174.296 175.328 -0.041 0.000 1.044 754 H CA 0.015 56.019 56.048 -0.073 0.000 1.456 754 H CB 0.273 29.982 29.762 -0.087 0.000 1.464 754 H HN 0.253 nan 8.280 nan 0.000 0.573 755 F N 6.123 125.607 119.950 -0.777 0.000 2.424 755 F HA 0.238 4.765 4.527 0.001 0.000 0.356 755 F C -0.754 174.565 175.800 -0.801 0.000 1.110 755 F CA -0.879 56.743 58.000 -0.631 0.000 1.161 755 F CB 0.305 39.030 39.000 -0.458 0.000 1.115 755 F HN 0.534 nan 8.300 nan 0.000 0.507 756 L N 6.425 126.867 121.223 -1.301 0.000 2.356 756 L HA 0.152 4.492 4.340 0.001 0.000 0.282 756 L C 0.106 176.246 176.870 -1.216 0.000 1.132 756 L CA -0.434 53.774 54.840 -1.052 0.000 0.923 756 L CB -0.484 41.121 42.059 -0.757 0.000 1.278 756 L HN 0.563 nan 8.230 nan 0.000 0.436 757 D N 2.466 122.364 120.400 -0.836 0.000 2.378 757 D HA -0.065 4.575 4.640 0.001 0.000 0.238 757 D C 0.505 176.662 176.300 -0.238 0.000 1.180 757 D CA 0.273 54.037 54.000 -0.393 0.000 0.895 757 D CB 0.605 41.386 40.800 -0.032 0.000 1.192 757 D HN 0.436 nan 8.370 nan 0.000 0.438 758 D N -0.310 120.044 120.400 -0.077 0.000 2.706 758 D HA -0.198 4.443 4.640 0.001 0.000 0.230 758 D C -0.672 175.580 176.300 -0.080 0.000 1.184 758 D CA 0.955 54.933 54.000 -0.037 0.000 0.628 758 D CB -1.203 39.596 40.800 -0.002 0.000 1.019 758 D HN 0.375 nan 8.370 nan 0.000 0.415 759 A N -0.476 122.271 122.820 -0.123 0.000 2.337 759 A HA 0.659 4.979 4.320 0.001 0.000 0.331 759 A C 0.124 177.675 177.584 -0.054 0.000 1.137 759 A CA -0.631 51.336 52.037 -0.116 0.000 0.807 759 A CB 1.777 20.648 19.000 -0.214 0.000 1.250 759 A HN 0.044 nan 8.150 nan 0.000 0.468 760 V N 1.768 121.656 119.914 -0.044 0.000 2.432 760 V HA 0.275 4.395 4.120 0.001 0.000 0.275 760 V C 0.369 176.436 176.094 -0.045 0.000 1.043 760 V CA -0.299 61.984 62.300 -0.030 0.000 0.925 760 V CB 0.985 32.776 31.823 -0.053 0.000 0.985 760 V HN 0.978 nan 8.190 nan 0.000 0.466 761 E N 3.754 123.910 120.200 -0.073 0.000 2.266 761 E HA 0.628 4.979 4.350 0.001 0.000 0.277 761 E C -1.395 174.896 176.600 -0.515 0.000 1.018 761 E CA -0.396 55.866 56.400 -0.230 0.000 0.840 761 E CB 1.734 31.347 29.700 -0.145 0.000 1.082 761 E HN 0.491 nan 8.360 nan 0.000 0.395 762 V N 3.728 123.448 119.914 -0.323 0.000 2.876 762 V HA 0.317 4.438 4.120 0.001 0.000 0.312 762 V C -0.817 175.263 176.094 -0.023 0.000 1.085 762 V CA -0.936 61.252 62.300 -0.186 0.000 0.945 762 V CB 2.230 34.074 31.823 0.035 0.000 1.017 762 V HN 0.747 nan 8.190 nan 0.000 0.428 763 D N 1.781 122.228 120.400 0.078 0.000 2.375 763 D HA 0.642 5.283 4.640 0.001 0.000 0.247 763 D C -1.251 175.156 176.300 0.178 0.000 1.061 763 D CA -0.052 54.044 54.000 0.161 0.000 0.834 763 D CB 2.507 43.448 40.800 0.235 0.000 1.247 763 D HN 0.282 nan 8.370 nan 0.000 0.489 764 V N 3.051 123.064 119.914 0.165 0.000 2.525 764 V HA 0.266 4.387 4.120 0.001 0.000 0.299 764 V C -0.424 175.732 176.094 0.102 0.000 1.034 764 V CA -0.914 61.482 62.300 0.160 0.000 0.863 764 V CB 2.179 34.144 31.823 0.238 0.000 0.999 764 V HN 0.387 nan 8.190 nan 0.000 0.423 765 D N 3.663 124.116 120.400 0.088 0.000 2.193 765 D HA 0.806 5.446 4.640 0.001 0.000 0.244 765 D C -0.102 176.225 176.300 0.046 0.000 1.064 765 D CA 0.161 54.196 54.000 0.058 0.000 0.845 765 D CB 2.504 43.335 40.800 0.051 0.000 1.148 765 D HN 0.797 nan 8.370 nan 0.000 0.464 766 A N 2.245 125.084 122.820 0.032 0.000 2.593 766 A HA 0.764 5.084 4.320 0.001 0.000 0.290 766 A C -1.277 176.313 177.584 0.010 0.000 1.126 766 A CA -0.641 51.407 52.037 0.018 0.000 0.695 766 A CB 1.276 20.282 19.000 0.010 0.000 1.290 766 A HN 0.494 nan 8.150 nan 0.000 0.414 767 I N 0.170 120.740 120.570 -0.001 0.000 2.498 767 I HA 0.529 4.700 4.170 0.001 0.000 0.290 767 I C -0.743 175.350 176.117 -0.039 0.000 1.032 767 I CA -0.537 60.762 61.300 -0.001 0.000 1.073 767 I CB 1.886 39.900 38.000 0.023 0.000 1.251 767 I HN 0.678 nan 8.210 nan 0.000 0.426 768 C N 5.016 124.285 119.300 -0.052 0.000 2.482 768 C HA 0.499 4.959 4.460 0.001 0.000 0.317 768 C C 0.229 175.201 174.990 -0.029 0.000 1.197 768 C CA -0.449 58.510 59.018 -0.098 0.000 1.432 768 C CB 0.976 28.577 27.740 -0.232 0.000 2.062 768 C HN 0.945 nan 8.230 nan 0.000 0.471 769 D N 1.884 122.289 120.400 0.009 0.000 2.395 769 D HA 0.303 4.944 4.640 0.001 0.000 0.213 769 D C 1.410 177.761 176.300 0.085 0.000 1.110 769 D CA 0.648 54.675 54.000 0.045 0.000 0.835 769 D CB 0.094 40.924 40.800 0.050 0.000 0.965 769 D HN 1.426 nan 8.370 nan 0.000 0.505 770 G N 0.327 109.206 108.800 0.130 0.000 2.253 770 G HA2 -0.376 3.585 3.960 0.001 0.000 0.251 770 G HA3 -0.376 3.585 3.960 0.001 0.000 0.251 770 G C 0.984 176.072 174.900 0.314 0.000 0.998 770 G CA 0.451 45.688 45.100 0.227 0.000 0.621 770 G HN 0.434 nan 8.290 nan 0.000 0.524 771 E N -0.691 119.667 120.200 0.264 0.000 2.228 771 E HA 0.435 4.786 4.350 0.001 0.000 0.197 771 E C 1.408 178.194 176.600 0.310 0.000 0.909 771 E CA 0.776 57.302 56.400 0.211 0.000 0.911 771 E CB 0.187 29.957 29.700 0.116 0.000 0.887 771 E HN 0.718 nan 8.360 nan 0.000 0.481 772 M N -0.802 118.966 119.600 0.280 0.000 2.667 772 M HA 0.567 5.047 4.480 0.001 0.000 0.286 772 M C -1.584 174.770 176.300 0.090 0.000 1.270 772 M CA -0.894 54.560 55.300 0.257 0.000 0.826 772 M CB 2.467 35.151 32.600 0.141 0.000 1.743 772 M HN -0.294 nan 8.290 nan 0.000 0.460 773 V N 2.506 122.446 119.914 0.044 0.000 2.444 773 V HA 0.517 4.638 4.120 0.001 0.000 0.294 773 V C -1.163 174.925 176.094 -0.010 0.000 1.022 773 V CA -0.672 61.585 62.300 -0.071 0.000 0.850 773 V CB 1.596 33.310 31.823 -0.181 0.000 0.992 773 V HN 0.757 nan 8.190 nan 0.000 0.426 774 L N 6.476 127.691 121.223 -0.014 0.000 2.272 774 L HA 0.583 4.924 4.340 0.001 0.000 0.289 774 L C -0.380 176.491 176.870 0.002 0.000 1.032 774 L CA -0.010 54.832 54.840 0.003 0.000 0.810 774 L CB 0.992 43.056 42.059 0.008 0.000 1.205 774 L HN 0.423 nan 8.230 nan 0.000 0.422 775 I N 5.880 126.455 120.570 0.007 0.000 2.421 775 I HA 0.166 4.336 4.170 0.001 0.000 0.291 775 I C 1.425 177.549 176.117 0.012 0.000 1.089 775 I CA 0.374 61.683 61.300 0.014 0.000 1.354 775 I CB 0.411 38.421 38.000 0.017 0.000 1.413 775 I HN 0.858 nan 8.210 nan 0.000 0.513 776 G N 5.416 114.228 108.800 0.019 0.000 2.395 776 G HA2 0.247 4.207 3.960 0.001 0.000 0.214 776 G HA3 0.247 4.207 3.960 0.001 0.000 0.214 776 G C 0.644 175.555 174.900 0.017 0.000 1.177 776 G CA 0.658 45.767 45.100 0.015 0.000 0.794 776 G HN 0.788 nan 8.290 nan 0.000 0.532 777 G N -0.890 107.935 108.800 0.042 0.000 2.658 777 G HA2 0.427 4.387 3.960 0.001 0.000 0.301 777 G HA3 0.427 4.387 3.960 0.001 0.000 0.301 777 G C -1.446 173.511 174.900 0.095 0.000 1.481 777 G CA -0.843 44.290 45.100 0.056 0.000 0.931 777 G HN 0.148 nan 8.290 nan 0.000 0.573 778 I N 2.116 122.743 120.570 0.094 0.000 2.312 778 I HA 0.395 4.566 4.170 0.001 0.000 0.290 778 I C -0.031 176.180 176.117 0.157 0.000 1.008 778 I CA -0.330 61.038 61.300 0.113 0.000 1.226 778 I CB 1.523 39.565 38.000 0.069 0.000 1.371 778 I HN 0.261 nan 8.210 nan 0.000 0.468 779 M N 6.012 125.729 119.600 0.196 0.000 2.311 779 M HA 0.345 4.825 4.480 0.001 0.000 0.325 779 M C -0.299 176.141 176.300 0.233 0.000 1.061 779 M CA -0.358 55.098 55.300 0.261 0.000 0.957 779 M CB 2.160 34.953 32.600 0.322 0.000 1.646 779 M HN 0.411 nan 8.290 nan 0.000 0.434 780 E N 2.985 123.347 120.200 0.271 0.000 2.146 780 E HA 0.235 4.585 4.350 0.001 0.000 0.282 780 E C -1.037 175.788 176.600 0.376 0.000 0.989 780 E CA -0.441 56.103 56.400 0.239 0.000 0.799 780 E CB 0.784 30.618 29.700 0.223 0.000 1.088 780 E HN 0.672 nan 8.360 nan 0.000 0.397 781 H N 3.508 122.693 119.070 0.192 0.000 2.707 781 H HA 0.015 4.571 4.556 0.001 0.000 0.359 781 H C 0.838 176.312 175.328 0.243 0.000 1.113 781 H CA -0.770 55.388 56.048 0.183 0.000 1.422 781 H CB 1.124 30.964 29.762 0.129 0.000 1.443 781 H HN 0.536 nan 8.280 nan 0.000 0.591 782 I N 1.321 122.111 120.570 0.367 0.000 2.206 782 I HA -0.124 4.047 4.170 0.001 0.000 0.239 782 I C 0.698 176.976 176.117 0.269 0.000 1.078 782 I CA 1.062 62.554 61.300 0.320 0.000 1.367 782 I CB -0.185 37.974 38.000 0.265 0.000 1.078 782 I HN 0.616 nan 8.210 nan 0.000 0.413 783 E N 2.055 122.398 120.200 0.238 0.000 2.392 783 E HA 0.048 4.399 4.350 0.001 0.000 0.264 783 E C 0.179 176.915 176.600 0.227 0.000 1.024 783 E CA -0.212 56.311 56.400 0.205 0.000 0.903 783 E CB 0.159 29.959 29.700 0.167 0.000 0.963 783 E HN 0.182 nan 8.360 nan 0.000 0.432 784 Q N 1.363 121.275 119.800 0.187 0.000 2.471 784 Q HA 0.285 4.626 4.340 0.001 0.000 0.223 784 Q C -0.364 175.747 176.000 0.185 0.000 1.045 784 Q CA -0.555 55.344 55.803 0.160 0.000 0.956 784 Q CB 0.481 29.300 28.738 0.136 0.000 1.249 784 Q HN 0.491 nan 8.270 nan 0.000 0.549 785 A N -0.063 122.833 122.820 0.126 0.000 2.546 785 A HA 0.423 4.744 4.320 0.001 0.000 0.243 785 A C 1.097 178.858 177.584 0.295 0.000 1.063 785 A CA 0.805 52.921 52.037 0.131 0.000 0.757 785 A CB -0.848 18.137 19.000 -0.026 0.000 0.991 785 A HN 1.310 nan 8.150 nan 0.000 0.503 786 G N 0.967 109.962 108.800 0.324 0.000 2.545 786 G HA2 -0.100 3.861 3.960 0.001 0.000 0.195 786 G HA3 -0.100 3.861 3.960 0.001 0.000 0.195 786 G C 0.055 175.046 174.900 0.153 0.000 1.009 786 G CA 0.001 45.296 45.100 0.324 0.000 0.703 786 G HN 1.336 nan 8.290 nan 0.000 0.479 787 V N 3.611 123.629 119.914 0.174 0.000 2.364 787 V HA 0.426 4.547 4.120 0.001 0.000 0.272 787 V C 0.789 176.977 176.094 0.158 0.000 1.036 787 V CA -0.983 61.409 62.300 0.153 0.000 0.880 787 V CB 1.205 33.117 31.823 0.149 0.000 0.991 787 V HN 0.433 nan 8.190 nan 0.000 0.460 788 H N 3.771 122.877 119.070 0.061 0.000 3.092 788 H HA -0.071 4.486 4.556 0.001 0.000 0.332 788 H C 1.676 177.007 175.328 0.005 0.000 1.029 788 H CA 1.034 57.107 56.048 0.042 0.000 1.376 788 H CB 1.200 30.972 29.762 0.016 0.000 1.329 788 H HN 0.891 nan 8.280 nan 0.000 0.598 789 S N 2.811 118.425 115.700 -0.142 0.000 2.392 789 S HA -0.181 4.290 4.470 0.001 0.000 0.232 789 S C 2.249 176.849 174.600 -0.000 0.000 1.041 789 S CA 1.172 59.304 58.200 -0.113 0.000 1.026 789 S CB -0.726 62.477 63.200 0.006 0.000 0.845 789 S HN 0.745 nan 8.310 nan 0.000 0.465 790 G N 0.810 109.870 108.800 0.433 0.000 2.509 790 G HA2 -0.055 3.905 3.960 0.001 0.000 0.218 790 G HA3 -0.055 3.905 3.960 0.001 0.000 0.218 790 G C 0.802 175.721 174.900 0.032 0.000 1.124 790 G CA 0.846 46.050 45.100 0.173 0.000 0.776 790 G HN 0.570 nan 8.290 nan 0.000 0.547 791 D N -0.276 120.160 120.400 0.060 0.000 2.398 791 D HA 0.181 4.821 4.640 0.001 0.000 0.210 791 D C 0.551 176.849 176.300 -0.003 0.000 1.094 791 D CA 0.026 54.037 54.000 0.019 0.000 0.839 791 D CB 0.708 41.543 40.800 0.059 0.000 0.963 791 D HN 0.081 nan 8.370 nan 0.000 0.506 792 S N 0.546 116.203 115.700 -0.072 0.000 2.554 792 S HA 0.664 5.135 4.470 0.001 0.000 0.278 792 S C 0.299 174.836 174.600 -0.104 0.000 1.242 792 S CA -0.813 57.327 58.200 -0.100 0.000 1.051 792 S CB 1.947 64.993 63.200 -0.256 0.000 0.986 792 S HN 0.216 nan 8.310 nan 0.000 0.502 793 A N 1.168 123.995 122.820 0.013 0.000 2.332 793 A HA 0.621 4.942 4.320 0.001 0.000 0.258 793 A C 0.388 178.011 177.584 0.066 0.000 1.087 793 A CA -0.565 51.494 52.037 0.036 0.000 0.802 793 A CB -0.423 18.698 19.000 0.203 0.000 1.042 793 A HN 1.243 nan 8.150 nan 0.000 0.489 794 C N -0.504 118.820 119.300 0.039 0.000 3.241 794 C HA 0.882 5.343 4.460 0.001 0.000 0.312 794 C C -0.252 174.872 174.990 0.223 0.000 1.350 794 C CA -0.532 58.576 59.018 0.150 0.000 1.415 794 C CB 0.996 28.830 27.740 0.155 0.000 1.770 794 C HN 1.032 nan 8.230 nan 0.000 0.466 795 S N 0.691 116.604 115.700 0.355 0.000 2.513 795 S HA 0.827 5.298 4.470 0.001 0.000 0.299 795 S C -1.367 173.524 174.600 0.484 0.000 1.087 795 S CA -0.534 57.946 58.200 0.466 0.000 1.012 795 S CB 1.173 64.671 63.200 0.496 0.000 1.044 795 S HN 1.007 nan 8.310 nan 0.000 0.485 796 L N 6.120 127.651 121.223 0.514 0.000 2.491 796 L HA 0.578 4.919 4.340 0.001 0.000 0.267 796 L C -2.620 174.396 176.870 0.243 0.000 0.971 796 L CA -2.045 53.006 54.840 0.352 0.000 0.857 796 L CB 2.355 44.608 42.059 0.322 0.000 1.226 796 L HN 0.492 nan 8.230 nan 0.000 0.408 797 P HA 0.219 nan 4.420 nan 0.000 0.277 797 P C -0.673 176.826 177.300 0.332 0.000 1.271 797 P CA -0.392 62.780 63.100 0.119 0.000 0.795 797 P CB 0.607 32.276 31.700 -0.051 0.000 1.101 798 A N 0.548 123.516 122.820 0.247 0.000 2.555 798 A HA 0.043 4.363 4.320 0.001 0.000 0.233 798 A C 0.539 178.329 177.584 0.344 0.000 1.060 798 A CA 0.342 52.539 52.037 0.267 0.000 0.759 798 A CB -0.946 18.118 19.000 0.107 0.000 0.995 798 A HN 0.787 nan 8.150 nan 0.000 0.506 799 Y N -0.480 119.840 120.300 0.034 0.000 2.445 799 Y HA 0.309 4.860 4.550 0.001 0.000 0.247 799 Y C 1.401 177.190 175.900 -0.185 0.000 1.129 799 Y CA 0.577 58.608 58.100 -0.115 0.000 1.251 799 Y CB 0.259 38.350 38.460 -0.615 0.000 1.176 799 Y HN 0.637 nan 8.280 nan 0.000 0.522 800 T N -2.107 112.071 114.554 -0.628 0.000 3.051 800 T HA 0.295 4.646 4.350 0.001 0.000 0.254 800 T C 0.263 174.789 174.700 -0.290 0.000 0.916 800 T CA -0.238 61.539 62.100 -0.539 0.000 0.894 800 T CB -0.546 67.862 68.868 -0.766 0.000 1.251 800 T HN 0.147 nan 8.240 nan 0.000 0.517 801 L N 3.994 125.083 121.223 -0.223 0.000 2.485 801 L HA 0.372 4.713 4.340 0.001 0.000 0.275 801 L C 0.992 177.801 176.870 -0.101 0.000 1.207 801 L CA -0.435 54.321 54.840 -0.139 0.000 0.855 801 L CB 0.663 42.661 42.059 -0.102 0.000 1.114 801 L HN 0.481 nan 8.230 nan 0.000 0.485 802 S N 1.502 117.146 115.700 -0.094 0.000 2.592 802 S HA 0.067 4.538 4.470 0.001 0.000 0.271 802 S C 0.567 175.128 174.600 -0.065 0.000 1.326 802 S CA -0.610 57.545 58.200 -0.075 0.000 1.024 802 S CB 1.734 64.890 63.200 -0.073 0.000 0.921 802 S HN 0.657 nan 8.310 nan 0.000 0.527 803 Q N 1.074 120.843 119.800 -0.052 0.000 2.050 803 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 803 Q C 2.061 178.027 176.000 -0.057 0.000 0.980 803 Q CA 2.369 58.143 55.803 -0.048 0.000 0.840 803 Q CB -0.493 28.223 28.738 -0.037 0.000 0.898 803 Q HN 0.970 nan 8.270 nan 0.000 0.424 804 E N -0.470 119.696 120.200 -0.057 0.000 2.065 804 E HA -0.240 4.111 4.350 0.001 0.000 0.201 804 E C 1.849 178.401 176.600 -0.080 0.000 1.016 804 E CA 1.600 57.963 56.400 -0.061 0.000 0.818 804 E CB -0.321 29.345 29.700 -0.056 0.000 0.749 804 E HN 0.465 nan 8.360 nan 0.000 0.453 805 I N 0.939 121.455 120.570 -0.090 0.000 2.315 805 I HA -0.229 3.942 4.170 0.001 0.000 0.248 805 I C 2.353 178.381 176.117 -0.148 0.000 1.117 805 I CA 1.388 62.617 61.300 -0.118 0.000 1.404 805 I CB -0.653 37.280 38.000 -0.113 0.000 1.071 805 I HN 0.357 nan 8.210 nan 0.000 0.419 806 Q N 0.016 119.746 119.800 -0.118 0.000 2.124 806 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 806 Q C 1.685 177.615 176.000 -0.117 0.000 0.977 806 Q CA 1.445 57.177 55.803 -0.118 0.000 0.850 806 Q CB -0.058 28.637 28.738 -0.072 0.000 0.901 806 Q HN 0.460 nan 8.270 nan 0.000 0.429 807 D N 0.093 120.439 120.400 -0.091 0.000 2.144 807 D HA -0.124 4.516 4.640 0.001 0.000 0.199 807 D C 1.973 178.221 176.300 -0.087 0.000 0.984 807 D CA 0.922 54.879 54.000 -0.072 0.000 0.834 807 D CB -0.065 40.703 40.800 -0.054 0.000 0.955 807 D HN 0.060 nan 8.370 nan 0.000 0.465 808 V N 0.923 120.766 119.914 -0.119 0.000 2.343 808 V HA -0.235 3.885 4.120 0.001 0.000 0.247 808 V C 2.505 178.484 176.094 -0.192 0.000 1.051 808 V CA 1.281 63.501 62.300 -0.134 0.000 1.036 808 V CB -0.425 31.305 31.823 -0.155 0.000 0.654 808 V HN 0.215 nan 8.190 nan 0.000 0.451 809 M N -0.732 118.675 119.600 -0.321 0.000 2.099 809 M HA -0.155 4.326 4.480 0.001 0.000 0.262 809 M C 2.494 178.692 176.300 -0.170 0.000 1.067 809 M CA 1.738 56.705 55.300 -0.556 0.000 1.124 809 M CB -0.549 31.531 32.600 -0.868 0.000 1.353 809 M HN 0.157 nan 8.290 nan 0.000 0.410 810 R N 0.270 120.710 120.500 -0.100 0.000 2.103 810 R HA -0.218 4.123 4.340 0.001 0.000 0.242 810 R C 2.426 178.741 176.300 0.024 0.000 1.142 810 R CA 1.866 57.961 56.100 -0.008 0.000 0.960 810 R CB -0.467 29.822 30.300 -0.018 0.000 0.858 810 R HN 0.453 nan 8.270 nan 0.000 0.439 811 Q N 0.814 120.613 119.800 -0.000 0.000 2.079 811 Q HA -0.220 4.121 4.340 0.001 0.000 0.200 811 Q C 1.804 177.843 176.000 0.065 0.000 0.974 811 Q CA 1.641 57.461 55.803 0.028 0.000 0.840 811 Q CB 0.006 28.747 28.738 0.005 0.000 0.898 811 Q HN 0.445 nan 8.270 nan 0.000 0.430 812 Q N -0.302 119.542 119.800 0.073 0.000 2.167 812 Q HA -0.083 4.257 4.340 0.001 0.000 0.202 812 Q C 2.187 178.307 176.000 0.201 0.000 0.970 812 Q CA 1.287 57.182 55.803 0.153 0.000 0.855 812 Q CB 0.234 29.100 28.738 0.213 0.000 0.911 812 Q HN 0.249 nan 8.270 nan 0.000 0.438 813 V N 0.528 120.569 119.914 0.211 0.000 2.261 813 V HA -0.330 3.791 4.120 0.001 0.000 0.246 813 V C 2.270 178.402 176.094 0.064 0.000 1.047 813 V CA 2.262 64.661 62.300 0.166 0.000 1.015 813 V CB -0.676 31.244 31.823 0.161 0.000 0.642 813 V HN 0.458 nan 8.190 nan 0.000 0.446 814 Q N -0.023 119.811 119.800 0.056 0.000 2.061 814 Q HA -0.302 4.038 4.340 0.001 0.000 0.204 814 Q C 2.290 178.355 176.000 0.108 0.000 0.984 814 Q CA 2.242 58.061 55.803 0.026 0.000 0.846 814 Q CB -0.122 28.694 28.738 0.129 0.000 0.902 814 Q HN 0.574 nan 8.270 nan 0.000 0.421 815 K N 0.020 120.516 120.400 0.160 0.000 2.001 815 K HA -0.186 4.135 4.320 0.001 0.000 0.214 815 K C 2.083 178.776 176.600 0.155 0.000 1.050 815 K CA 1.873 58.270 56.287 0.183 0.000 0.934 815 K CB -0.263 32.311 32.500 0.123 0.000 0.718 815 K HN 0.215 nan 8.250 nan 0.000 0.443 816 L N 0.154 121.440 121.223 0.106 0.000 2.042 816 L HA -0.254 4.087 4.340 0.001 0.000 0.210 816 L C 2.469 179.366 176.870 0.046 0.000 1.076 816 L CA 1.303 56.196 54.840 0.089 0.000 0.749 816 L CB -0.599 41.516 42.059 0.093 0.000 0.893 816 L HN 0.290 nan 8.230 nan 0.000 0.432 817 A N 0.244 123.035 122.820 -0.049 0.000 1.859 817 A HA -0.264 4.057 4.320 0.001 0.000 0.217 817 A C 2.024 179.509 177.584 -0.165 0.000 1.198 817 A CA 2.093 54.014 52.037 -0.194 0.000 0.629 817 A CB -1.030 17.713 19.000 -0.428 0.000 0.830 817 A HN 0.295 nan 8.150 nan 0.000 0.446 818 F N -0.209 119.767 119.950 0.044 0.000 2.102 818 F HA -0.106 4.422 4.527 0.001 0.000 0.298 818 F C 2.393 178.214 175.800 0.036 0.000 1.105 818 F CA 1.667 59.688 58.000 0.035 0.000 1.239 818 F CB -0.873 38.145 39.000 0.030 0.000 0.991 818 F HN 0.347 nan 8.300 nan 0.000 0.474 819 E N 0.851 121.191 120.200 0.233 0.000 2.097 819 E HA -0.198 4.152 4.350 0.001 0.000 0.196 819 E C 1.965 178.632 176.600 0.113 0.000 1.000 819 E CA 1.537 58.025 56.400 0.147 0.000 0.804 819 E CB -0.580 29.190 29.700 0.117 0.000 0.740 819 E HN 0.442 nan 8.360 nan 0.000 0.454 820 L N -0.222 121.060 121.223 0.097 0.000 2.418 820 L HA 0.029 4.369 4.340 0.001 0.000 0.218 820 L C 0.289 177.198 176.870 0.064 0.000 1.125 820 L CA 0.517 55.404 54.840 0.078 0.000 0.835 820 L CB -0.119 41.983 42.059 0.073 0.000 0.953 820 L HN 0.214 nan 8.230 nan 0.000 0.454 821 Q N -0.546 119.300 119.800 0.075 0.000 2.464 821 Q HA -0.133 4.208 4.340 0.001 0.000 0.286 821 Q C -0.370 175.652 176.000 0.038 0.000 1.343 821 Q CA 0.139 55.987 55.803 0.074 0.000 0.772 821 Q CB -2.320 26.457 28.738 0.066 0.000 1.160 821 Q HN 0.195 nan 8.270 nan 0.000 0.422 822 V N 1.657 121.573 119.914 0.004 0.000 2.655 822 V HA 0.132 4.252 4.120 0.001 0.000 0.300 822 V C 0.887 176.976 176.094 -0.008 0.000 1.044 822 V CA 0.495 62.788 62.300 -0.012 0.000 1.095 822 V CB 0.951 32.748 31.823 -0.043 0.000 0.952 822 V HN 0.182 nan 8.190 nan 0.000 0.485 823 R N 3.887 124.391 120.500 0.006 0.000 2.472 823 R HA 0.627 4.968 4.340 0.001 0.000 0.294 823 R C 0.291 176.600 176.300 0.014 0.000 1.243 823 R CA 0.330 56.435 56.100 0.009 0.000 1.023 823 R CB 0.965 31.271 30.300 0.010 0.000 1.157 823 R HN 1.090 nan 8.270 nan 0.000 0.530 824 G N 1.349 110.164 108.800 0.025 0.000 2.341 824 G HA2 -0.170 3.791 3.960 0.001 0.000 0.196 824 G HA3 -0.170 3.791 3.960 0.001 0.000 0.196 824 G C -1.064 173.881 174.900 0.076 0.000 1.231 824 G CA -0.956 44.181 45.100 0.061 0.000 1.155 824 G HN 0.309 nan 8.290 nan 0.000 0.529 825 L N 1.317 122.620 121.223 0.133 0.000 2.439 825 L HA 0.808 5.148 4.340 0.001 0.000 0.261 825 L C 0.941 177.849 176.870 0.064 0.000 1.153 825 L CA -0.102 54.796 54.840 0.097 0.000 0.808 825 L CB 1.222 43.349 42.059 0.113 0.000 1.126 825 L HN 0.935 nan 8.230 nan 0.000 0.460 826 M N 1.077 120.699 119.600 0.036 0.000 2.578 826 M HA 0.478 4.959 4.480 0.001 0.000 0.276 826 M C -1.734 174.575 176.300 0.016 0.000 1.245 826 M CA -0.744 54.568 55.300 0.019 0.000 0.871 826 M CB 2.333 34.932 32.600 -0.002 0.000 1.722 826 M HN 0.505 nan 8.290 nan 0.000 0.473 827 N N 1.555 120.257 118.700 0.003 0.000 2.260 827 N HA 0.683 5.424 4.740 0.001 0.000 0.293 827 N C -2.385 173.099 175.510 -0.044 0.000 1.058 827 N CA -0.316 52.735 53.050 0.002 0.000 0.824 827 N CB 2.922 41.420 38.487 0.018 0.000 1.551 827 N HN 0.671 nan 8.380 nan 0.000 0.475 828 V N 2.455 122.334 119.914 -0.058 0.000 2.656 828 V HA 0.400 4.520 4.120 0.001 0.000 0.307 828 V C -0.532 175.399 176.094 -0.272 0.000 1.051 828 V CA -0.708 61.467 62.300 -0.209 0.000 0.893 828 V CB 1.858 33.507 31.823 -0.290 0.000 0.999 828 V HN 0.631 nan 8.190 nan 0.000 0.426 829 Q N 3.315 122.901 119.800 -0.357 0.000 2.333 829 Q HA 0.661 5.002 4.340 0.001 0.000 0.265 829 Q C -1.613 174.162 176.000 -0.375 0.000 0.989 829 Q CA -0.229 55.426 55.803 -0.247 0.000 0.842 829 Q CB 2.175 30.847 28.738 -0.110 0.000 1.262 829 Q HN 0.631 nan 8.270 nan 0.000 0.451 830 F N 0.591 120.540 119.950 -0.003 0.000 2.579 830 F HA 0.779 5.307 4.527 0.001 0.000 0.324 830 F C -0.101 175.687 175.800 -0.020 0.000 1.058 830 F CA -1.011 56.996 58.000 0.012 0.000 0.944 830 F CB 1.749 40.751 39.000 0.003 0.000 1.245 830 F HN 0.477 nan 8.300 nan 0.000 0.477 831 A N 1.083 124.065 122.820 0.271 0.000 2.356 831 A HA 0.765 5.085 4.320 0.001 0.000 0.310 831 A C -1.723 175.972 177.584 0.185 0.000 1.075 831 A CA -0.653 51.461 52.037 0.128 0.000 0.746 831 A CB 1.261 20.271 19.000 0.016 0.000 1.221 831 A HN 0.502 nan 8.150 nan 0.000 0.443 832 V N 3.225 123.189 119.914 0.083 0.000 2.293 832 V HA 0.388 4.509 4.120 0.001 0.000 0.275 832 V C 0.057 176.183 176.094 0.052 0.000 1.021 832 V CA -0.381 61.971 62.300 0.085 0.000 0.815 832 V CB 0.966 32.788 31.823 -0.002 0.000 1.025 832 V HN 0.825 nan 8.190 nan 0.000 0.448 833 K N 3.693 124.175 120.400 0.137 0.000 2.358 833 K HA 0.442 4.762 4.320 0.001 0.000 0.260 833 K C 0.118 176.787 176.600 0.116 0.000 0.956 833 K CA -0.581 55.742 56.287 0.058 0.000 0.834 833 K CB 0.721 33.173 32.500 -0.080 0.000 1.102 833 K HN 0.766 nan 8.250 nan 0.000 0.431 834 N N 3.582 122.305 118.700 0.038 0.000 2.696 834 N HA -0.266 4.474 4.740 0.001 0.000 0.256 834 N C -0.604 174.921 175.510 0.025 0.000 1.031 834 N CA 0.728 53.796 53.050 0.030 0.000 0.730 834 N CB -1.037 37.477 38.487 0.045 0.000 0.894 834 N HN 0.914 nan 8.380 nan 0.000 0.544 835 N N -0.759 117.941 118.700 0.000 0.000 2.693 835 N HA -0.233 4.507 4.740 0.001 0.000 0.249 835 N C -1.340 174.152 175.510 -0.030 0.000 1.119 835 N CA 1.257 54.292 53.050 -0.025 0.000 0.717 835 N CB -0.203 38.263 38.487 -0.035 0.000 1.071 835 N HN 0.579 nan 8.380 nan 0.000 0.555 836 E N 0.214 120.419 120.200 0.009 0.000 2.234 836 E HA 0.324 4.674 4.350 0.001 0.000 0.266 836 E C -0.572 175.997 176.600 -0.052 0.000 0.877 836 E CA -0.720 55.643 56.400 -0.062 0.000 0.758 836 E CB 2.472 32.134 29.700 -0.063 0.000 1.170 836 E HN -0.031 nan 8.360 nan 0.000 0.415 837 V N 3.898 123.698 119.914 -0.190 0.000 2.383 837 V HA 0.283 4.403 4.120 0.001 0.000 0.275 837 V C -0.780 175.224 176.094 -0.150 0.000 1.036 837 V CA -0.421 61.823 62.300 -0.093 0.000 0.889 837 V CB -0.144 31.578 31.823 -0.168 0.000 0.985 837 V HN 0.538 nan 8.190 nan 0.000 0.459 838 Y N 3.972 124.342 120.300 0.117 0.000 2.429 838 Y HA 0.618 5.168 4.550 0.001 0.000 0.342 838 Y C -0.163 175.866 175.900 0.214 0.000 1.004 838 Y CA -1.065 57.109 58.100 0.124 0.000 1.075 838 Y CB 1.874 40.364 38.460 0.049 0.000 1.214 838 Y HN 0.437 nan 8.280 nan 0.000 0.455 839 L N 3.592 124.988 121.223 0.289 0.000 2.265 839 L HA 0.381 4.722 4.340 0.001 0.000 0.288 839 L C 0.088 177.041 176.870 0.138 0.000 1.058 839 L CA 0.451 55.381 54.840 0.150 0.000 0.809 839 L CB 0.486 42.615 42.059 0.116 0.000 1.179 839 L HN 0.752 nan 8.230 nan 0.000 0.429 840 I N 2.678 123.274 120.570 0.043 0.000 2.512 840 I HA 0.121 4.291 4.170 0.001 0.000 0.247 840 I C 0.242 176.382 176.117 0.039 0.000 1.094 840 I CA 0.372 61.695 61.300 0.039 0.000 1.427 840 I CB 0.220 38.211 38.000 -0.015 0.000 1.149 840 I HN 0.752 nan 8.210 nan 0.000 0.438 841 E N -0.836 119.329 120.200 -0.059 0.000 2.403 841 E HA 0.416 4.766 4.350 0.001 0.000 0.280 841 E C -1.651 174.792 176.600 -0.262 0.000 1.101 841 E CA -0.825 55.444 56.400 -0.218 0.000 0.856 841 E CB 1.694 31.250 29.700 -0.241 0.000 1.303 841 E HN -0.211 nan 8.360 nan 0.000 0.441 842 V N 1.882 121.542 119.914 -0.425 0.000 2.495 842 V HA 0.487 4.608 4.120 0.001 0.000 0.298 842 V C -0.831 175.127 176.094 -0.227 0.000 1.031 842 V CA -0.932 61.215 62.300 -0.253 0.000 0.871 842 V CB 1.711 33.457 31.823 -0.129 0.000 0.988 842 V HN 0.653 nan 8.190 nan 0.000 0.432 843 N N 5.583 124.210 118.700 -0.121 0.000 2.626 843 N HA 0.305 5.045 4.740 0.001 0.000 0.249 843 N C -2.706 172.787 175.510 -0.028 0.000 1.021 843 N CA -1.259 51.748 53.050 -0.071 0.000 0.886 843 N CB 2.196 40.664 38.487 -0.032 0.000 1.149 843 N HN 0.368 nan 8.380 nan 0.000 0.517 844 P HA 0.046 nan 4.420 nan 0.000 0.238 844 P C -0.313 177.006 177.300 0.032 0.000 1.714 844 P CA 0.370 63.471 63.100 0.001 0.000 0.908 844 P CB -0.199 31.498 31.700 -0.004 0.000 1.893 845 R N -1.698 118.833 120.500 0.052 0.000 2.826 845 R HA 0.759 5.100 4.340 0.001 0.000 0.269 845 R C -1.202 175.165 176.300 0.112 0.000 1.031 845 R CA -1.211 54.951 56.100 0.102 0.000 0.900 845 R CB 0.179 30.537 30.300 0.096 0.000 1.318 845 R HN -0.143 nan 8.270 nan 0.000 0.447 846 A N 0.544 123.449 122.820 0.142 0.000 2.401 846 A HA 0.660 4.981 4.320 0.001 0.000 0.259 846 A C 0.001 177.657 177.584 0.119 0.000 1.103 846 A CA 0.126 52.181 52.037 0.031 0.000 0.789 846 A CB 0.211 19.077 19.000 -0.224 0.000 1.035 846 A HN 0.797 nan 8.150 nan 0.000 0.491 847 A N 1.850 124.687 122.820 0.029 0.000 2.281 847 A HA 0.600 4.921 4.320 0.001 0.000 0.329 847 A C 1.276 178.735 177.584 -0.209 0.000 1.122 847 A CA -0.280 51.779 52.037 0.036 0.000 0.850 847 A CB 0.464 19.485 19.000 0.035 0.000 1.207 847 A HN 1.070 nan 8.150 nan 0.000 0.495 848 R N -0.525 119.814 120.500 -0.268 0.000 2.285 848 R HA -0.089 4.252 4.340 0.001 0.000 0.213 848 R C 0.702 176.834 176.300 -0.280 0.000 1.068 848 R CA 1.969 57.761 56.100 -0.514 0.000 1.004 848 R CB -0.799 29.276 30.300 -0.374 0.000 0.873 848 R HN 0.650 nan 8.270 nan 0.000 0.467 849 T N -2.009 112.467 114.554 -0.129 0.000 3.100 849 T HA 0.130 4.481 4.350 0.001 0.000 0.253 849 T C 1.842 176.547 174.700 0.008 0.000 1.118 849 T CA 0.254 62.344 62.100 -0.016 0.000 1.058 849 T CB 0.167 69.075 68.868 0.068 0.000 0.953 849 T HN 0.007 nan 8.240 nan 0.000 0.515 850 V N 3.020 122.878 119.914 -0.093 0.000 2.252 850 V HA -0.125 3.996 4.120 0.001 0.000 0.249 850 V C -0.144 175.874 176.094 -0.125 0.000 1.056 850 V CA 2.034 64.280 62.300 -0.091 0.000 1.022 850 V CB -1.424 30.323 31.823 -0.125 0.000 0.641 850 V HN 0.393 nan 8.190 nan 0.000 0.445 851 P HA -0.203 nan 4.420 nan 0.000 0.216 851 P C 1.722 178.869 177.300 -0.255 0.000 1.150 851 P CA 1.601 64.368 63.100 -0.555 0.000 0.837 851 P CB -0.181 30.809 31.700 -1.183 0.000 0.786 852 F N 0.579 120.382 119.950 -0.245 0.000 2.095 852 F HA -0.216 4.311 4.527 0.001 0.000 0.298 852 F C 1.933 177.710 175.800 -0.039 0.000 1.104 852 F CA 1.450 59.376 58.000 -0.123 0.000 1.232 852 F CB -0.731 38.216 39.000 -0.090 0.000 0.987 852 F HN -0.310 nan 8.300 nan 0.000 0.475 853 V N -0.056 119.763 119.914 -0.158 0.000 2.343 853 V HA -0.292 3.829 4.120 0.001 0.000 0.247 853 V C 2.410 178.411 176.094 -0.154 0.000 1.051 853 V CA 2.067 64.245 62.300 -0.205 0.000 1.036 853 V CB -0.998 30.814 31.823 -0.019 0.000 0.654 853 V HN 0.398 nan 8.190 nan 0.000 0.451 854 S N -0.450 115.207 115.700 -0.073 0.000 2.382 854 S HA -0.224 4.247 4.470 0.001 0.000 0.228 854 S C 2.040 176.659 174.600 0.032 0.000 1.027 854 S CA 1.480 59.682 58.200 0.004 0.000 0.991 854 S CB -0.289 62.977 63.200 0.110 0.000 0.823 854 S HN 0.414 nan 8.310 nan 0.000 0.469 855 K N 1.815 122.215 120.400 0.000 0.000 2.062 855 K HA 0.225 4.546 4.320 0.001 0.000 0.205 855 K C 2.167 178.858 176.600 0.152 0.000 1.051 855 K CA 1.119 57.462 56.287 0.092 0.000 0.941 855 K CB -0.772 31.709 32.500 -0.032 0.000 0.719 855 K HN 0.296 nan 8.250 nan 0.000 0.440 856 A N 0.002 122.765 122.820 -0.095 0.000 1.873 856 A HA -0.150 4.171 4.320 0.001 0.000 0.215 856 A C 2.226 179.887 177.584 0.128 0.000 1.186 856 A CA 2.366 54.398 52.037 -0.009 0.000 0.616 856 A CB -1.113 17.695 19.000 -0.319 0.000 0.823 856 A HN 0.482 nan 8.150 nan 0.000 0.442 857 T N -4.714 109.825 114.554 -0.026 0.000 3.043 857 T HA 0.365 4.716 4.350 0.001 0.000 0.263 857 T C 1.526 176.109 174.700 -0.195 0.000 1.094 857 T CA 1.253 63.303 62.100 -0.083 0.000 1.127 857 T CB 0.002 68.810 68.868 -0.100 0.000 0.905 857 T HN 1.762 nan 8.240 nan 0.000 0.490 858 G N 0.538 109.119 108.800 -0.364 0.000 2.176 858 G HA2 -0.216 3.745 3.960 0.001 0.000 0.253 858 G HA3 -0.216 3.745 3.960 0.001 0.000 0.253 858 G C 0.041 174.714 174.900 -0.379 0.000 0.979 858 G CA 0.034 44.536 45.100 -0.996 0.000 0.641 858 G HN 0.782 nan 8.290 nan 0.000 0.530 859 V N 2.058 121.868 119.914 -0.174 0.000 2.370 859 V HA 0.475 4.596 4.120 0.001 0.000 0.279 859 V C -1.735 174.364 176.094 0.008 0.000 1.029 859 V CA -1.506 60.751 62.300 -0.072 0.000 0.870 859 V CB 1.747 33.540 31.823 -0.049 0.000 0.984 859 V HN 0.115 nan 8.190 nan 0.000 0.451 860 P HA 0.242 nan 4.420 nan 0.000 0.231 860 P C 1.058 178.445 177.300 0.145 0.000 1.811 860 P CA -0.160 63.029 63.100 0.149 0.000 1.051 860 P CB 0.265 32.030 31.700 0.108 0.000 1.951 861 L N 1.092 122.382 121.223 0.112 0.000 2.064 861 L HA -0.310 4.031 4.340 0.001 0.000 0.216 861 L C 2.483 179.428 176.870 0.125 0.000 1.077 861 L CA 2.249 57.142 54.840 0.089 0.000 0.766 861 L CB -1.331 40.758 42.059 0.050 0.000 0.890 861 L HN 0.177 nan 8.230 nan 0.000 0.435 862 A N -0.307 122.603 122.820 0.149 0.000 1.933 862 A HA -0.196 4.125 4.320 0.001 0.000 0.218 862 A C 2.368 180.142 177.584 0.316 0.000 1.175 862 A CA 1.673 53.819 52.037 0.182 0.000 0.628 862 A CB -0.330 18.707 19.000 0.062 0.000 0.814 862 A HN 0.370 nan 8.150 nan 0.000 0.444 863 K N -0.394 120.151 120.400 0.241 0.000 2.001 863 K HA -0.078 4.243 4.320 0.001 0.000 0.208 863 K C 1.960 178.630 176.600 0.116 0.000 1.048 863 K CA 1.506 57.881 56.287 0.146 0.000 0.932 863 K CB -0.522 32.009 32.500 0.052 0.000 0.715 863 K HN 0.319 nan 8.250 nan 0.000 0.437 864 V N 1.658 121.635 119.914 0.104 0.000 2.255 864 V HA -0.270 3.851 4.120 0.001 0.000 0.247 864 V C 2.419 178.567 176.094 0.090 0.000 1.051 864 V CA 2.166 64.513 62.300 0.079 0.000 1.018 864 V CB -0.847 31.013 31.823 0.061 0.000 0.641 864 V HN 0.376 nan 8.190 nan 0.000 0.445 865 A N -0.303 122.597 122.820 0.133 0.000 2.067 865 A HA 0.009 4.329 4.320 0.001 0.000 0.219 865 A C 2.350 180.000 177.584 0.110 0.000 1.158 865 A CA 1.815 53.937 52.037 0.143 0.000 0.661 865 A CB -0.574 18.556 19.000 0.217 0.000 0.801 865 A HN 0.579 nan 8.150 nan 0.000 0.452 866 A N 0.141 123.035 122.820 0.124 0.000 1.897 866 A HA -0.089 4.231 4.320 0.001 0.000 0.215 866 A C 2.218 179.781 177.584 -0.035 0.000 1.181 866 A CA 1.247 53.279 52.037 -0.008 0.000 0.620 866 A CB -0.382 18.641 19.000 0.039 0.000 0.821 866 A HN 0.539 nan 8.150 nan 0.000 0.443 867 R N -0.552 119.961 120.500 0.021 0.000 2.092 867 R HA -0.049 4.291 4.340 0.001 0.000 0.231 867 R C 1.947 178.259 176.300 0.020 0.000 1.119 867 R CA 1.293 57.410 56.100 0.028 0.000 0.970 867 R CB -0.551 29.780 30.300 0.053 0.000 0.864 867 R HN 0.370 nan 8.270 nan 0.000 0.440 868 V N 1.546 121.473 119.914 0.023 0.000 2.343 868 V HA -0.259 3.861 4.120 0.001 0.000 0.247 868 V C 2.321 178.413 176.094 -0.004 0.000 1.051 868 V CA 1.812 64.124 62.300 0.020 0.000 1.036 868 V CB -0.372 31.469 31.823 0.029 0.000 0.654 868 V HN 0.320 nan 8.190 nan 0.000 0.451 869 M N 0.101 119.681 119.600 -0.034 0.000 2.159 869 M HA -0.109 4.372 4.480 0.001 0.000 0.263 869 M C 2.204 178.456 176.300 -0.081 0.000 1.063 869 M CA 2.005 57.265 55.300 -0.066 0.000 1.110 869 M CB -0.579 31.950 32.600 -0.119 0.000 1.374 869 M HN 0.362 nan 8.290 nan 0.000 0.411 870 A N -0.180 122.578 122.820 -0.104 0.000 2.209 870 A HA 0.285 4.605 4.320 0.001 0.000 0.212 870 A C 1.780 179.357 177.584 -0.011 0.000 1.158 870 A CA 1.200 53.157 52.037 -0.134 0.000 0.742 870 A CB -0.632 18.215 19.000 -0.255 0.000 0.790 870 A HN 0.687 nan 8.150 nan 0.000 0.472 871 G N -1.344 107.462 108.800 0.010 0.000 2.229 871 G HA2 -0.167 3.793 3.960 0.001 0.000 0.189 871 G HA3 -0.167 3.793 3.960 0.001 0.000 0.189 871 G C 0.180 175.109 174.900 0.048 0.000 1.000 871 G CA 0.147 45.270 45.100 0.038 0.000 0.663 871 G HN 0.610 nan 8.290 nan 0.000 0.493 872 K N 2.117 122.548 120.400 0.052 0.000 2.292 872 K HA 0.575 4.895 4.320 0.001 0.000 0.270 872 K C 1.113 177.737 176.600 0.040 0.000 1.062 872 K CA 0.228 56.545 56.287 0.049 0.000 0.916 872 K CB 0.692 33.227 32.500 0.060 0.000 1.166 872 K HN 0.464 nan 8.250 nan 0.000 0.458 873 S N 3.646 119.369 115.700 0.038 0.000 2.560 873 S HA -0.051 4.420 4.470 0.001 0.000 0.276 873 S C 1.395 176.016 174.600 0.035 0.000 1.350 873 S CA -0.289 57.934 58.200 0.038 0.000 1.024 873 S CB 0.425 63.649 63.200 0.039 0.000 0.864 873 S HN 0.706 nan 8.310 nan 0.000 0.536 874 L N 2.193 123.438 121.223 0.037 0.000 2.012 874 L HA -0.123 4.218 4.340 0.001 0.000 0.210 874 L C 3.092 179.979 176.870 0.028 0.000 1.073 874 L CA 1.773 56.633 54.840 0.032 0.000 0.748 874 L CB -1.224 40.855 42.059 0.033 0.000 0.891 874 L HN 0.972 nan 8.230 nan 0.000 0.431 875 A N -0.147 122.691 122.820 0.031 0.000 1.873 875 A HA -0.300 4.020 4.320 0.001 0.000 0.218 875 A C 2.161 179.758 177.584 0.022 0.000 1.193 875 A CA 2.158 54.210 52.037 0.026 0.000 0.629 875 A CB -0.647 18.370 19.000 0.028 0.000 0.826 875 A HN 0.447 nan 8.150 nan 0.000 0.447 876 E N -0.415 119.800 120.200 0.024 0.000 2.070 876 E HA -0.250 4.100 4.350 0.001 0.000 0.197 876 E C 2.281 178.893 176.600 0.020 0.000 1.004 876 E CA 1.712 58.125 56.400 0.022 0.000 0.805 876 E CB -0.185 29.531 29.700 0.026 0.000 0.744 876 E HN 0.803 nan 8.360 nan 0.000 0.451 877 Q N -1.118 118.696 119.800 0.023 0.000 2.369 877 Q HA 0.013 4.354 4.340 0.001 0.000 0.206 877 Q C 1.148 177.156 176.000 0.014 0.000 0.963 877 Q CA 0.669 56.484 55.803 0.020 0.000 0.894 877 Q CB 0.404 29.157 28.738 0.024 0.000 0.965 877 Q HN 0.391 nan 8.270 nan 0.000 0.475 878 G N 0.697 109.506 108.800 0.014 0.000 2.149 878 G HA2 -0.222 3.739 3.960 0.001 0.000 0.235 878 G HA3 -0.222 3.739 3.960 0.001 0.000 0.235 878 G C -0.117 174.786 174.900 0.006 0.000 1.018 878 G CA 0.051 45.157 45.100 0.009 0.000 0.728 878 G HN 0.218 nan 8.290 nan 0.000 0.508 879 V N 1.417 121.337 119.914 0.010 0.000 2.289 879 V HA 0.577 4.697 4.120 0.001 0.000 0.272 879 V C 0.940 177.040 176.094 0.010 0.000 1.026 879 V CA 0.484 62.788 62.300 0.006 0.000 0.807 879 V CB 0.886 32.715 31.823 0.009 0.000 1.044 879 V HN 0.639 nan 8.190 nan 0.000 0.443 880 T N -0.427 114.132 114.554 0.008 0.000 2.980 880 T HA 0.259 4.610 4.350 0.001 0.000 0.252 880 T C 0.515 175.220 174.700 0.008 0.000 0.962 880 T CA -0.314 61.793 62.100 0.013 0.000 0.932 880 T CB 0.519 69.397 68.868 0.016 0.000 1.188 880 T HN 0.346 nan 8.240 nan 0.000 0.500 881 K N 2.689 123.089 120.400 -0.000 0.000 2.183 881 K HA 0.435 4.755 4.320 0.001 0.000 0.274 881 K C -0.246 176.345 176.600 -0.014 0.000 1.009 881 K CA -0.374 55.910 56.287 -0.006 0.000 0.888 881 K CB 2.293 34.787 32.500 -0.010 0.000 1.078 881 K HN 0.445 nan 8.250 nan 0.000 0.459 882 E N 2.022 122.214 120.200 -0.013 0.000 2.442 882 E HA 0.019 4.369 4.350 0.001 0.000 0.262 882 E C -0.818 175.760 176.600 -0.036 0.000 1.004 882 E CA -0.177 56.211 56.400 -0.020 0.000 0.928 882 E CB 0.710 30.400 29.700 -0.016 0.000 0.937 882 E HN 0.164 nan 8.360 nan 0.000 0.446 883 V N 5.910 125.796 119.914 -0.047 0.000 2.532 883 V HA 0.306 4.426 4.120 0.001 0.000 0.295 883 V C -0.136 175.906 176.094 -0.087 0.000 1.041 883 V CA -0.673 61.584 62.300 -0.071 0.000 0.926 883 V CB 1.578 33.349 31.823 -0.085 0.000 0.992 883 V HN 0.581 nan 8.190 nan 0.000 0.457 884 I N 6.032 126.535 120.570 -0.112 0.000 2.476 884 I HA 0.392 4.562 4.170 0.001 0.000 0.281 884 I C -2.352 173.633 176.117 -0.219 0.000 1.040 884 I CA -2.231 58.983 61.300 -0.142 0.000 1.094 884 I CB 1.645 39.578 38.000 -0.113 0.000 1.219 884 I HN 0.450 nan 8.210 nan 0.000 0.450 885 P HA 0.251 nan 4.420 nan 0.000 0.269 885 P C -2.112 174.856 177.300 -0.554 0.000 1.215 885 P CA -1.005 61.745 63.100 -0.582 0.000 0.780 885 P CB 0.019 31.131 31.700 -0.980 0.000 0.898 886 P HA 0.070 nan 4.420 nan 0.000 0.249 886 P C -0.564 176.620 177.300 -0.193 0.000 1.229 886 P CA 0.562 63.493 63.100 -0.283 0.000 0.788 886 P CB -0.189 31.444 31.700 -0.113 0.000 1.072 887 Y N -3.320 116.936 120.300 -0.073 0.000 2.669 887 Y HA 0.660 5.211 4.550 0.001 0.000 0.335 887 Y C -0.757 175.081 175.900 -0.103 0.000 1.116 887 Y CA -2.089 55.991 58.100 -0.034 0.000 1.081 887 Y CB 0.383 38.859 38.460 0.028 0.000 1.297 887 Y HN -0.362 nan 8.280 nan 0.000 0.484 888 Y N 0.768 121.275 120.300 0.345 0.000 2.342 888 Y HA 0.590 5.140 4.550 0.001 0.000 0.334 888 Y C -0.298 175.785 175.900 0.306 0.000 1.067 888 Y CA -0.314 57.957 58.100 0.286 0.000 1.128 888 Y CB 2.096 40.706 38.460 0.250 0.000 1.200 888 Y HN 0.620 nan 8.280 nan 0.000 0.464 889 S N 2.685 118.669 115.700 0.474 0.000 2.519 889 S HA 0.642 5.113 4.470 0.001 0.000 0.309 889 S C -1.072 173.837 174.600 0.516 0.000 1.100 889 S CA -0.762 57.673 58.200 0.393 0.000 1.059 889 S CB 1.296 64.627 63.200 0.220 0.000 1.008 889 S HN 0.324 nan 8.310 nan 0.000 0.478 890 V N 3.847 123.986 119.914 0.375 0.000 2.487 890 V HA 0.483 4.603 4.120 0.001 0.000 0.298 890 V C -0.040 176.109 176.094 0.090 0.000 1.028 890 V CA -0.768 61.675 62.300 0.239 0.000 0.860 890 V CB 1.802 33.653 31.823 0.045 0.000 0.991 890 V HN 0.736 nan 8.190 nan 0.000 0.427 891 K N 3.333 123.629 120.400 -0.172 0.000 2.159 891 K HA 0.619 4.939 4.320 0.001 0.000 0.266 891 K C -0.887 175.561 176.600 -0.254 0.000 0.975 891 K CA -0.410 55.633 56.287 -0.406 0.000 0.865 891 K CB 1.831 33.735 32.500 -0.994 0.000 1.087 891 K HN 0.751 nan 8.250 nan 0.000 0.446 892 E N 2.498 122.563 120.200 -0.224 0.000 2.312 892 E HA 0.349 4.699 4.350 0.001 0.000 0.267 892 E C -1.326 175.184 176.600 -0.150 0.000 0.894 892 E CA -0.874 55.412 56.400 -0.190 0.000 0.773 892 E CB 1.737 31.286 29.700 -0.251 0.000 1.241 892 E HN 0.367 nan 8.360 nan 0.000 0.432 893 V N 0.681 120.529 119.914 -0.110 0.000 3.096 893 V HA 0.874 4.995 4.120 0.001 0.000 0.319 893 V C -0.380 175.671 176.094 -0.072 0.000 1.103 893 V CA -0.561 61.685 62.300 -0.091 0.000 1.016 893 V CB 1.588 33.365 31.823 -0.077 0.000 1.090 893 V HN 0.634 nan 8.190 nan 0.000 0.449 894 V N 0.624 120.497 119.914 -0.068 0.000 2.483 894 V HA 0.749 4.870 4.120 0.001 0.000 0.297 894 V C -0.712 175.331 176.094 -0.085 0.000 1.027 894 V CA -0.546 61.718 62.300 -0.060 0.000 0.855 894 V CB 0.905 32.697 31.823 -0.050 0.000 0.995 894 V HN 0.873 nan 8.190 nan 0.000 0.424 895 L N 6.287 127.447 121.223 -0.105 0.000 2.331 895 L HA 0.653 4.994 4.340 0.001 0.000 0.275 895 L C -1.547 175.175 176.870 -0.247 0.000 1.022 895 L CA -1.495 53.195 54.840 -0.251 0.000 0.812 895 L CB 2.530 44.340 42.059 -0.415 0.000 1.257 895 L HN 0.465 nan 8.230 nan 0.000 0.435 896 P HA 0.063 nan 4.420 nan 0.000 0.255 896 P C 1.105 178.314 177.300 -0.152 0.000 1.301 896 P CA 0.141 63.114 63.100 -0.212 0.000 0.817 896 P CB 0.060 31.680 31.700 -0.133 0.000 1.259 897 F N 2.613 122.608 119.950 0.075 0.000 2.154 897 F HA -0.215 4.312 4.527 0.001 0.000 0.301 897 F C 2.191 177.985 175.800 -0.010 0.000 1.087 897 F CA 1.483 59.545 58.000 0.102 0.000 1.274 897 F CB -1.818 37.270 39.000 0.147 0.000 1.009 897 F HN 0.122 nan 8.300 nan 0.000 0.485 898 N N 0.593 119.356 118.700 0.105 0.000 2.430 898 N HA -0.191 4.550 4.740 0.001 0.000 0.186 898 N C 1.204 176.619 175.510 -0.158 0.000 1.032 898 N CA 1.079 54.123 53.050 -0.010 0.000 0.893 898 N CB -0.475 37.999 38.487 -0.021 0.000 0.957 898 N HN 0.204 nan 8.380 nan 0.000 0.442 899 K N -0.237 119.941 120.400 -0.369 0.000 2.365 899 K HA 0.090 4.411 4.320 0.001 0.000 0.197 899 K C -0.275 175.808 176.600 -0.861 0.000 1.042 899 K CA 0.267 56.122 56.287 -0.720 0.000 0.987 899 K CB 0.074 31.844 32.500 -1.216 0.000 0.779 899 K HN 0.278 nan 8.250 nan 0.000 0.484 900 F N 0.822 120.739 119.950 -0.056 0.000 2.710 900 F HA 0.281 4.809 4.527 0.001 0.000 0.345 900 F C -1.848 173.977 175.800 0.043 0.000 1.362 900 F CA -2.521 55.472 58.000 -0.012 0.000 1.175 900 F CB 1.271 40.230 39.000 -0.069 0.000 1.561 900 F HN -0.168 nan 8.300 nan 0.000 0.593 901 P HA -0.169 nan 4.420 nan 0.000 0.216 901 P C 1.881 179.232 177.300 0.084 0.000 1.154 901 P CA 1.637 64.783 63.100 0.077 0.000 0.865 901 P CB 0.177 31.885 31.700 0.014 0.000 0.789 902 G N -0.638 108.225 108.800 0.106 0.000 2.653 902 G HA2 -0.018 3.943 3.960 0.001 0.000 0.212 902 G HA3 -0.018 3.943 3.960 0.001 0.000 0.212 902 G C 0.402 175.357 174.900 0.092 0.000 1.138 902 G CA 0.093 45.241 45.100 0.081 0.000 0.782 902 G HN 0.227 nan 8.290 nan 0.000 0.535 903 V N 0.500 120.499 119.914 0.142 0.000 2.539 903 V HA 0.214 4.335 4.120 0.001 0.000 0.292 903 V C -0.348 175.756 176.094 0.016 0.000 1.045 903 V CA -1.177 61.210 62.300 0.146 0.000 0.945 903 V CB 1.921 33.942 31.823 0.330 0.000 0.993 903 V HN 0.106 nan 8.190 nan 0.000 0.464 904 D N 6.059 126.432 120.400 -0.045 0.000 2.338 904 D HA 0.186 4.827 4.640 0.001 0.000 0.255 904 D C -2.090 173.963 176.300 -0.411 0.000 1.237 904 D CA -1.987 51.915 54.000 -0.163 0.000 0.883 904 D CB 1.456 42.193 40.800 -0.104 0.000 1.087 904 D HN 0.259 nan 8.370 nan 0.000 0.485 905 P HA 0.116 nan 4.420 nan 0.000 0.232 905 P C -0.534 176.321 177.300 -0.742 0.000 1.738 905 P CA -0.124 62.187 63.100 -1.316 0.000 0.948 905 P CB -0.577 30.808 31.700 -0.525 0.000 1.943 906 L N -0.613 120.294 121.223 -0.527 0.000 2.362 906 L HA 0.495 4.835 4.340 0.001 0.000 0.271 906 L C -0.728 176.191 176.870 0.082 0.000 1.002 906 L CA -1.227 53.549 54.840 -0.106 0.000 0.818 906 L CB 1.517 43.535 42.059 -0.068 0.000 1.298 906 L HN -0.195 nan 8.230 nan 0.000 0.420 907 L N 4.126 125.431 121.223 0.137 0.000 2.439 907 L HA 0.723 5.063 4.340 0.001 0.000 0.269 907 L C 0.753 177.693 176.870 0.117 0.000 1.179 907 L CA 0.280 55.219 54.840 0.166 0.000 0.828 907 L CB 0.610 42.758 42.059 0.148 0.000 1.106 907 L HN 0.951 nan 8.230 nan 0.000 0.467 908 G N 1.396 110.267 108.800 0.119 0.000 2.634 908 G HA2 0.384 4.344 3.960 0.001 0.000 0.309 908 G HA3 0.384 4.344 3.960 0.001 0.000 0.309 908 G C -2.633 172.324 174.900 0.095 0.000 1.299 908 G CA -0.350 44.796 45.100 0.077 0.000 0.798 908 G HN 0.336 nan 8.290 nan 0.000 0.490 909 P HA 0.065 nan 4.420 nan 0.000 0.237 909 P C 0.245 177.645 177.300 0.166 0.000 1.178 909 P CA 0.782 63.938 63.100 0.094 0.000 0.766 909 P CB 0.478 32.185 31.700 0.011 0.000 0.876 910 E N 0.186 120.436 120.200 0.083 0.000 2.191 910 E HA 0.356 4.707 4.350 0.001 0.000 0.274 910 E C -0.549 175.986 176.600 -0.109 0.000 0.948 910 E CA -1.018 55.381 56.400 -0.002 0.000 0.802 910 E CB 1.006 30.674 29.700 -0.054 0.000 1.137 910 E HN -0.126 nan 8.360 nan 0.000 0.397 911 M N 4.584 123.954 119.600 -0.382 0.000 2.162 911 M HA 0.236 4.717 4.480 0.001 0.000 0.356 911 M C -0.173 175.986 176.300 -0.235 0.000 1.303 911 M CA 0.158 55.214 55.300 -0.406 0.000 1.116 911 M CB 0.484 32.613 32.600 -0.785 0.000 1.632 911 M HN 0.552 nan 8.290 nan 0.000 0.469 912 R N 1.429 121.845 120.500 -0.140 0.000 2.521 912 R HA 0.191 4.531 4.340 0.001 0.000 0.289 912 R C 0.091 176.354 176.300 -0.063 0.000 0.936 912 R CA 0.104 56.143 56.100 -0.103 0.000 1.089 912 R CB 0.728 30.992 30.300 -0.059 0.000 1.348 912 R HN 0.849 nan 8.270 nan 0.000 0.536 913 S N -0.662 114.984 115.700 -0.090 0.000 2.585 913 S HA 0.064 4.534 4.470 0.001 0.000 0.273 913 S C 1.158 175.730 174.600 -0.047 0.000 1.339 913 S CA 0.140 58.289 58.200 -0.086 0.000 1.028 913 S CB 1.498 64.651 63.200 -0.079 0.000 0.906 913 S HN 0.283 nan 8.310 nan 0.000 0.528 914 T N -1.586 112.941 114.554 -0.045 0.000 2.990 914 T HA 0.513 4.864 4.350 0.001 0.000 0.249 914 T C 0.792 175.474 174.700 -0.030 0.000 1.039 914 T CA 0.231 62.316 62.100 -0.024 0.000 1.036 914 T CB -0.113 68.742 68.868 -0.022 0.000 0.994 914 T HN 1.089 nan 8.240 nan 0.000 0.489 915 G N 0.628 109.401 108.800 -0.045 0.000 2.682 915 G HA2 0.630 4.591 3.960 0.001 0.000 0.303 915 G HA3 0.630 4.591 3.960 0.001 0.000 0.303 915 G C -2.081 172.780 174.900 -0.066 0.000 1.341 915 G CA -0.872 44.200 45.100 -0.047 0.000 0.784 915 G HN 0.516 nan 8.290 nan 0.000 0.497 916 E N -2.112 118.047 120.200 -0.069 0.000 2.430 916 E HA 0.657 5.008 4.350 0.001 0.000 0.279 916 E C -1.279 175.278 176.600 -0.072 0.000 1.003 916 E CA -1.058 55.288 56.400 -0.090 0.000 0.801 916 E CB 2.239 31.863 29.700 -0.126 0.000 1.313 916 E HN 1.195 nan 8.360 nan 0.000 0.459 917 V N -1.576 118.287 119.914 -0.085 0.000 3.040 917 V HA 0.755 4.876 4.120 0.001 0.000 0.312 917 V C -0.721 175.345 176.094 -0.045 0.000 1.115 917 V CA -1.003 61.260 62.300 -0.062 0.000 0.998 917 V CB 1.806 33.584 31.823 -0.075 0.000 1.042 917 V HN 0.924 nan 8.190 nan 0.000 0.433 918 M N 2.733 122.339 119.600 0.009 0.000 2.528 918 M HA 0.879 5.359 4.480 0.001 0.000 0.321 918 M C -0.225 176.089 176.300 0.023 0.000 1.153 918 M CA -0.215 55.139 55.300 0.090 0.000 0.951 918 M CB 2.058 34.764 32.600 0.176 0.000 1.705 918 M HN 1.182 nan 8.290 nan 0.000 0.451 919 G N 2.898 111.718 108.800 0.034 0.000 2.609 919 G HA2 0.628 4.589 3.960 0.001 0.000 0.308 919 G HA3 0.628 4.589 3.960 0.001 0.000 0.308 919 G C -1.841 173.072 174.900 0.023 0.000 1.369 919 G CA -0.458 44.626 45.100 -0.026 0.000 0.958 919 G HN 0.604 nan 8.290 nan 0.000 0.499 920 V N 1.644 121.549 119.914 -0.015 0.000 2.384 920 V HA 0.887 5.007 4.120 0.001 0.000 0.287 920 V C 0.641 176.736 176.094 0.001 0.000 1.020 920 V CA -0.079 62.209 62.300 -0.019 0.000 0.850 920 V CB 1.183 32.916 31.823 -0.150 0.000 0.987 920 V HN 1.049 nan 8.190 nan 0.000 0.436 921 G N 3.399 112.256 108.800 0.094 0.000 2.672 921 G HA2 0.524 4.484 3.960 0.001 0.000 0.292 921 G HA3 0.524 4.484 3.960 0.001 0.000 0.292 921 G C -0.024 175.009 174.900 0.223 0.000 1.375 921 G CA -0.759 44.406 45.100 0.108 0.000 0.890 921 G HN 0.532 nan 8.290 nan 0.000 0.476 922 R N -1.060 119.546 120.500 0.176 0.000 2.236 922 R HA 0.133 4.474 4.340 0.001 0.000 0.208 922 R C 0.844 177.313 176.300 0.283 0.000 1.036 922 R CA 1.371 57.594 56.100 0.205 0.000 1.001 922 R CB 0.082 30.459 30.300 0.129 0.000 0.896 922 R HN 0.640 nan 8.270 nan 0.000 0.464 923 T N -4.560 110.144 114.554 0.249 0.000 2.900 923 T HA 0.163 4.513 4.350 0.001 0.000 0.303 923 T C 0.316 175.031 174.700 0.025 0.000 1.142 923 T CA -0.904 61.321 62.100 0.208 0.000 1.007 923 T CB 1.256 70.194 68.868 0.117 0.000 1.156 923 T HN 0.030 nan 8.240 nan 0.000 0.490 924 F N 2.165 121.815 119.950 -0.500 0.000 2.154 924 F HA -0.014 4.514 4.527 0.001 0.000 0.301 924 F C 2.400 178.087 175.800 -0.188 0.000 1.087 924 F CA 2.163 59.802 58.000 -0.602 0.000 1.274 924 F CB -0.631 37.891 39.000 -0.796 0.000 1.009 924 F HN 0.808 nan 8.300 nan 0.000 0.485 925 A N -0.129 122.598 122.820 -0.155 0.000 1.902 925 A HA -0.227 4.093 4.320 0.001 0.000 0.217 925 A C 2.264 179.752 177.584 -0.160 0.000 1.181 925 A CA 1.759 53.698 52.037 -0.163 0.000 0.623 925 A CB -0.997 18.001 19.000 -0.003 0.000 0.818 925 A HN 0.594 nan 8.150 nan 0.000 0.443 926 E N -0.212 119.930 120.200 -0.096 0.000 2.047 926 E HA -0.116 4.235 4.350 0.001 0.000 0.191 926 E C 2.230 178.768 176.600 -0.103 0.000 0.987 926 E CA 0.930 57.288 56.400 -0.069 0.000 0.799 926 E CB -0.237 29.456 29.700 -0.012 0.000 0.752 926 E HN 0.536 nan 8.360 nan 0.000 0.449 927 A N 0.877 123.630 122.820 -0.111 0.000 1.851 927 A HA -0.224 4.097 4.320 0.001 0.000 0.216 927 A C 2.043 179.500 177.584 -0.211 0.000 1.195 927 A CA 1.552 53.528 52.037 -0.102 0.000 0.622 927 A CB -1.144 17.843 19.000 -0.023 0.000 0.831 927 A HN 0.485 nan 8.150 nan 0.000 0.444 928 F N 0.711 120.334 119.950 -0.545 0.000 2.120 928 F HA -0.168 4.360 4.527 0.001 0.000 0.300 928 F C 2.587 178.191 175.800 -0.327 0.000 1.095 928 F CA 1.432 59.097 58.000 -0.558 0.000 1.249 928 F CB -0.232 38.225 39.000 -0.905 0.000 0.995 928 F HN 0.269 nan 8.300 nan 0.000 0.480 929 A N -0.045 122.679 122.820 -0.160 0.000 1.877 929 A HA -0.223 4.098 4.320 0.001 0.000 0.216 929 A C 2.183 179.629 177.584 -0.230 0.000 1.186 929 A CA 1.945 53.883 52.037 -0.165 0.000 0.620 929 A CB -0.647 18.287 19.000 -0.110 0.000 0.822 929 A HN 0.433 nan 8.150 nan 0.000 0.443 930 K N -0.256 120.023 120.400 -0.202 0.000 2.057 930 K HA -0.031 4.290 4.320 0.001 0.000 0.207 930 K C 2.285 178.759 176.600 -0.210 0.000 1.049 930 K CA 1.155 57.336 56.287 -0.177 0.000 0.931 930 K CB -0.327 32.099 32.500 -0.124 0.000 0.714 930 K HN 0.439 nan 8.250 nan 0.000 0.440 931 A N 1.177 123.826 122.820 -0.284 0.000 1.902 931 A HA -0.252 4.068 4.320 0.001 0.000 0.217 931 A C 2.155 179.513 177.584 -0.376 0.000 1.181 931 A CA 1.521 53.367 52.037 -0.317 0.000 0.623 931 A CB -0.520 18.250 19.000 -0.382 0.000 0.818 931 A HN 0.351 nan 8.150 nan 0.000 0.443 932 Q N -0.983 118.505 119.800 -0.521 0.000 2.050 932 Q HA -0.178 4.163 4.340 0.001 0.000 0.202 932 Q C 2.025 177.875 176.000 -0.251 0.000 0.980 932 Q CA 1.735 57.278 55.803 -0.434 0.000 0.840 932 Q CB -0.242 28.207 28.738 -0.483 0.000 0.898 932 Q HN 0.556 nan 8.270 nan 0.000 0.424 933 L N 0.133 121.223 121.223 -0.222 0.000 2.083 933 L HA -0.018 4.323 4.340 0.001 0.000 0.209 933 L C 2.067 178.875 176.870 -0.103 0.000 1.083 933 L CA 2.312 57.059 54.840 -0.154 0.000 0.752 933 L CB -0.896 41.056 42.059 -0.179 0.000 0.899 933 L HN 0.277 nan 8.230 nan 0.000 0.433 934 G N -1.353 107.375 108.800 -0.121 0.000 2.432 934 G HA2 -0.277 3.684 3.960 0.001 0.000 0.219 934 G HA3 -0.277 3.684 3.960 0.001 0.000 0.219 934 G C 1.508 176.364 174.900 -0.072 0.000 1.135 934 G CA 0.834 45.885 45.100 -0.082 0.000 0.767 934 G HN 0.583 nan 8.290 nan 0.000 0.550 935 S N -0.181 115.459 115.700 -0.101 0.000 2.727 935 S HA -0.012 4.459 4.470 0.001 0.000 0.226 935 S C 1.120 175.699 174.600 -0.034 0.000 0.963 935 S CA 0.833 58.987 58.200 -0.076 0.000 0.950 935 S CB -0.748 62.391 63.200 -0.102 0.000 0.779 935 S HN 0.600 nan 8.310 nan 0.000 0.532 936 N N 0.257 118.943 118.700 -0.024 0.000 2.776 936 N HA -0.204 4.537 4.740 0.001 0.000 0.250 936 N C -0.147 175.382 175.510 0.031 0.000 1.112 936 N CA 0.564 53.620 53.050 0.011 0.000 0.733 936 N CB -1.616 36.881 38.487 0.016 0.000 1.097 936 N HN 0.622 nan 8.380 nan 0.000 0.558 937 S N -0.475 115.230 115.700 0.008 0.000 2.584 937 S HA 0.188 4.658 4.470 0.001 0.000 0.270 937 S C 1.459 176.093 174.600 0.056 0.000 1.346 937 S CA 0.808 59.042 58.200 0.057 0.000 1.018 937 S CB 1.126 64.290 63.200 -0.060 0.000 0.899 937 S HN 0.326 nan 8.310 nan 0.000 0.542 938 T N 2.015 116.650 114.554 0.136 0.000 3.176 938 T HA 0.277 4.627 4.350 0.001 0.000 0.263 938 T C 0.407 175.172 174.700 0.109 0.000 1.021 938 T CA -0.514 61.660 62.100 0.124 0.000 0.905 938 T CB -0.318 68.652 68.868 0.170 0.000 1.057 938 T HN 0.529 nan 8.240 nan 0.000 0.558 939 M N 3.222 122.834 119.600 0.020 0.000 2.251 939 M HA 0.233 4.714 4.480 0.001 0.000 0.343 939 M C -0.231 176.063 176.300 -0.011 0.000 1.245 939 M CA -0.006 55.283 55.300 -0.018 0.000 1.061 939 M CB 0.141 32.563 32.600 -0.297 0.000 1.723 939 M HN 0.047 nan 8.290 nan 0.000 0.449 940 K N 4.329 124.746 120.400 0.028 0.000 2.281 940 K HA 0.350 4.670 4.320 0.001 0.000 0.242 940 K C -0.141 176.457 176.600 -0.003 0.000 0.971 940 K CA -0.762 55.478 56.287 -0.080 0.000 0.834 940 K CB 1.288 33.592 32.500 -0.326 0.000 1.181 940 K HN 0.609 nan 8.250 nan 0.000 0.435 941 K N 1.275 121.634 120.400 -0.068 0.000 2.417 941 K HA 0.027 4.347 4.320 0.001 0.000 0.196 941 K C 0.457 176.967 176.600 -0.150 0.000 1.023 941 K CA 0.273 56.578 56.287 0.031 0.000 1.122 941 K CB 0.064 32.592 32.500 0.047 0.000 0.850 941 K HN 0.632 nan 8.250 nan 0.000 0.521 942 H N -2.784 116.017 119.070 -0.448 0.000 2.918 942 H HA 0.539 5.095 4.556 0.001 0.000 0.303 942 H C 0.138 174.932 175.328 -0.891 0.000 1.380 942 H CA -0.253 55.276 56.048 -0.865 0.000 1.134 942 H CB 1.058 30.599 29.762 -0.368 0.000 1.842 942 H HN 0.083 nan 8.280 nan 0.000 0.533 943 G N 0.618 109.151 108.800 -0.444 0.000 2.418 943 G HA2 -0.100 3.861 3.960 0.001 0.000 0.206 943 G HA3 -0.100 3.861 3.960 0.001 0.000 0.206 943 G C -1.113 173.833 174.900 0.077 0.000 1.202 943 G CA -0.274 44.784 45.100 -0.071 0.000 1.061 943 G HN 0.835 nan 8.290 nan 0.000 0.563 944 R N 0.347 121.023 120.500 0.293 0.000 2.494 944 R HA 0.699 5.039 4.340 0.001 0.000 0.305 944 R C 0.000 176.658 176.300 0.597 0.000 0.959 944 R CA 0.066 56.419 56.100 0.421 0.000 0.864 944 R CB 1.299 31.752 30.300 0.256 0.000 1.159 944 R HN 1.450 nan 8.270 nan 0.000 0.446 945 A N 4.388 127.511 122.820 0.505 0.000 2.324 945 A HA 0.484 4.805 4.320 0.001 0.000 0.330 945 A C -1.358 176.249 177.584 0.039 0.000 1.165 945 A CA -0.722 51.476 52.037 0.267 0.000 0.813 945 A CB 1.223 20.314 19.000 0.153 0.000 1.197 945 A HN 0.602 nan 8.150 nan 0.000 0.484 946 L N 2.727 123.758 121.223 -0.320 0.000 2.296 946 L HA 0.706 5.046 4.340 0.001 0.000 0.286 946 L C -1.416 175.256 176.870 -0.331 0.000 1.023 946 L CA -0.315 54.229 54.840 -0.493 0.000 0.812 946 L CB 1.055 42.487 42.059 -1.044 0.000 1.223 946 L HN 0.524 nan 8.230 nan 0.000 0.421 947 L N 4.493 125.596 121.223 -0.200 0.000 2.313 947 L HA 0.696 5.037 4.340 0.001 0.000 0.283 947 L C -0.052 176.744 176.870 -0.123 0.000 1.013 947 L CA 0.040 54.791 54.840 -0.148 0.000 0.816 947 L CB 1.808 43.817 42.059 -0.084 0.000 1.236 947 L HN 0.680 nan 8.230 nan 0.000 0.419 948 S N 2.901 118.531 115.700 -0.117 0.000 2.397 948 S HA 0.563 5.034 4.470 0.001 0.000 0.190 948 S C -0.779 173.782 174.600 -0.065 0.000 1.100 948 S CA -0.583 57.566 58.200 -0.084 0.000 1.150 948 S CB 0.346 63.485 63.200 -0.101 0.000 1.302 948 S HN 0.448 nan 8.310 nan 0.000 0.417 949 V N 2.786 122.675 119.914 -0.040 0.000 3.093 949 V HA 0.859 4.980 4.120 0.001 0.000 0.320 949 V C -0.082 176.005 176.094 -0.013 0.000 1.093 949 V CA -1.325 60.961 62.300 -0.024 0.000 1.016 949 V CB 1.250 33.066 31.823 -0.012 0.000 1.096 949 V HN 0.871 nan 8.190 nan 0.000 0.452 950 R N -0.050 120.446 120.500 -0.007 0.000 2.532 950 R HA 0.546 4.886 4.340 0.001 0.000 0.272 950 R C 0.919 177.221 176.300 0.005 0.000 1.032 950 R CA -0.428 55.666 56.100 -0.010 0.000 1.089 950 R CB 0.363 30.650 30.300 -0.022 0.000 1.098 950 R HN 0.661 nan 8.270 nan 0.000 0.526 951 E N 1.631 121.831 120.200 -0.001 0.000 2.119 951 E HA -0.241 4.110 4.350 0.001 0.000 0.221 951 E C 1.962 178.577 176.600 0.025 0.000 1.062 951 E CA 2.639 59.045 56.400 0.010 0.000 0.894 951 E CB -0.985 28.715 29.700 -0.001 0.000 0.785 951 E HN 0.915 nan 8.360 nan 0.000 0.472 952 G N 0.130 108.950 108.800 0.032 0.000 2.479 952 G HA2 -0.242 3.719 3.960 0.001 0.000 0.220 952 G HA3 -0.242 3.719 3.960 0.001 0.000 0.220 952 G C 1.071 176.005 174.900 0.057 0.000 1.115 952 G CA 1.066 46.196 45.100 0.050 0.000 0.757 952 G HN 0.223 nan 8.290 nan 0.000 0.560 953 D N -0.067 120.365 120.400 0.054 0.000 2.350 953 D HA 0.002 4.643 4.640 0.001 0.000 0.213 953 D C 2.328 178.664 176.300 0.060 0.000 1.031 953 D CA 0.206 54.246 54.000 0.068 0.000 0.861 953 D CB 0.061 40.898 40.800 0.062 0.000 0.926 953 D HN 0.417 nan 8.370 nan 0.000 0.520 954 K N 1.728 122.155 120.400 0.045 0.000 2.089 954 K HA -0.251 4.069 4.320 0.001 0.000 0.210 954 K C 1.441 178.068 176.600 0.046 0.000 1.048 954 K CA 1.361 57.671 56.287 0.038 0.000 0.926 954 K CB -0.063 32.456 32.500 0.032 0.000 0.714 954 K HN 0.132 nan 8.250 nan 0.000 0.448 955 E N 0.052 120.284 120.200 0.052 0.000 2.046 955 E HA -0.089 4.261 4.350 0.001 0.000 0.190 955 E C 2.405 179.052 176.600 0.078 0.000 0.982 955 E CA 0.684 57.117 56.400 0.054 0.000 0.800 955 E CB 0.068 29.796 29.700 0.047 0.000 0.756 955 E HN 0.328 nan 8.360 nan 0.000 0.449 956 R N 0.326 120.890 120.500 0.107 0.000 2.148 956 R HA -0.050 4.291 4.340 0.001 0.000 0.223 956 R C 2.303 178.742 176.300 0.231 0.000 1.088 956 R CA 0.341 56.555 56.100 0.189 0.000 0.985 956 R CB -0.079 30.360 30.300 0.232 0.000 0.880 956 R HN 0.049 nan 8.270 nan 0.000 0.451 957 V N 0.534 120.521 119.914 0.120 0.000 2.867 957 V HA -0.169 3.951 4.120 0.001 0.000 0.260 957 V C 1.851 177.966 176.094 0.035 0.000 1.099 957 V CA 1.361 63.688 62.300 0.044 0.000 1.122 957 V CB 0.083 31.914 31.823 0.013 0.000 0.708 957 V HN 0.124 nan 8.190 nan 0.000 0.490 958 V N 0.142 120.095 119.914 0.065 0.000 2.358 958 V HA -0.206 3.915 4.120 0.001 0.000 0.246 958 V C 2.349 178.485 176.094 0.070 0.000 1.047 958 V CA 2.320 64.652 62.300 0.054 0.000 1.035 958 V CB -0.696 31.159 31.823 0.054 0.000 0.658 958 V HN 0.654 nan 8.190 nan 0.000 0.452 959 D N 0.026 120.504 120.400 0.131 0.000 2.097 959 D HA -0.177 4.463 4.640 0.001 0.000 0.195 959 D C 1.987 178.369 176.300 0.137 0.000 0.989 959 D CA 1.293 55.397 54.000 0.173 0.000 0.827 959 D CB -0.196 40.771 40.800 0.277 0.000 0.966 959 D HN 0.264 nan 8.370 nan 0.000 0.456 960 L N 0.622 121.872 121.223 0.044 0.000 2.012 960 L HA -0.102 4.239 4.340 0.001 0.000 0.210 960 L C 2.220 179.022 176.870 -0.114 0.000 1.073 960 L CA 2.383 57.079 54.840 -0.240 0.000 0.748 960 L CB -1.110 40.610 42.059 -0.564 0.000 0.891 960 L HN 0.077 nan 8.230 nan 0.000 0.431 961 A N -0.534 122.253 122.820 -0.054 0.000 1.908 961 A HA -0.152 4.169 4.320 0.001 0.000 0.218 961 A C 2.465 180.054 177.584 0.007 0.000 1.181 961 A CA 2.064 54.088 52.037 -0.021 0.000 0.627 961 A CB -1.281 17.718 19.000 -0.002 0.000 0.818 961 A HN 0.612 nan 8.150 nan 0.000 0.445 962 A N -0.503 122.332 122.820 0.025 0.000 1.940 962 A HA -0.188 4.132 4.320 0.001 0.000 0.219 962 A C 2.109 179.719 177.584 0.043 0.000 1.176 962 A CA 2.068 54.130 52.037 0.041 0.000 0.631 962 A CB -0.433 18.599 19.000 0.052 0.000 0.814 962 A HN 0.535 nan 8.150 nan 0.000 0.446 963 K N -0.582 119.838 120.400 0.033 0.000 2.057 963 K HA -0.021 4.300 4.320 0.001 0.000 0.207 963 K C 1.820 178.430 176.600 0.015 0.000 1.049 963 K CA 1.381 57.685 56.287 0.029 0.000 0.931 963 K CB -0.326 32.186 32.500 0.020 0.000 0.714 963 K HN 0.478 nan 8.250 nan 0.000 0.440 964 L N 0.541 121.747 121.223 -0.027 0.000 2.093 964 L HA -0.187 4.154 4.340 0.001 0.000 0.208 964 L C 2.149 179.103 176.870 0.140 0.000 1.085 964 L CA 0.952 55.774 54.840 -0.030 0.000 0.755 964 L CB -0.269 41.709 42.059 -0.136 0.000 0.904 964 L HN 0.188 nan 8.230 nan 0.000 0.435 965 L N -0.618 120.667 121.223 0.103 0.000 2.027 965 L HA -0.224 4.117 4.340 0.001 0.000 0.206 965 L C 2.691 179.630 176.870 0.114 0.000 1.074 965 L CA 1.232 56.145 54.840 0.121 0.000 0.745 965 L CB -0.470 41.638 42.059 0.081 0.000 0.898 965 L HN 0.187 nan 8.230 nan 0.000 0.433 966 K N -0.346 120.108 120.400 0.090 0.000 2.074 966 K HA -0.246 4.074 4.320 0.001 0.000 0.209 966 K C 2.130 178.787 176.600 0.096 0.000 1.048 966 K CA 1.349 57.683 56.287 0.078 0.000 0.926 966 K CB -0.032 32.506 32.500 0.063 0.000 0.713 966 K HN 0.221 nan 8.250 nan 0.000 0.444 967 Q N -0.552 119.334 119.800 0.142 0.000 2.500 967 Q HA -0.064 4.276 4.340 0.001 0.000 0.213 967 Q C 0.706 176.812 176.000 0.177 0.000 0.974 967 Q CA 1.118 57.037 55.803 0.193 0.000 0.918 967 Q CB 0.305 29.227 28.738 0.308 0.000 0.980 967 Q HN 0.622 nan 8.270 nan 0.000 0.505 968 G N 0.013 108.906 108.800 0.155 0.000 2.142 968 G HA2 -0.256 3.704 3.960 0.001 0.000 0.225 968 G HA3 -0.256 3.704 3.960 0.001 0.000 0.225 968 G C -0.291 174.638 174.900 0.050 0.000 1.015 968 G CA -0.140 45.003 45.100 0.073 0.000 0.716 968 G HN 0.248 nan 8.290 nan 0.000 0.508 969 F N 0.623 120.609 119.950 0.059 0.000 2.397 969 F HA 0.584 5.111 4.527 0.001 0.000 0.331 969 F C 0.921 176.768 175.800 0.077 0.000 1.090 969 F CA -0.562 57.485 58.000 0.078 0.000 1.065 969 F CB 1.181 40.227 39.000 0.076 0.000 1.184 969 F HN 0.080 nan 8.300 nan 0.000 0.499 970 E N 2.726 123.098 120.200 0.287 0.000 2.266 970 E HA 0.486 4.836 4.350 0.001 0.000 0.277 970 E C -1.161 175.581 176.600 0.236 0.000 1.018 970 E CA -0.573 55.949 56.400 0.202 0.000 0.840 970 E CB 1.364 31.146 29.700 0.137 0.000 1.082 970 E HN 0.390 nan 8.360 nan 0.000 0.395 971 L N 2.078 123.401 121.223 0.166 0.000 2.334 971 L HA 0.552 4.893 4.340 0.001 0.000 0.273 971 L C -0.470 176.478 176.870 0.131 0.000 1.013 971 L CA -0.871 54.056 54.840 0.145 0.000 0.816 971 L CB 1.402 43.515 42.059 0.090 0.000 1.278 971 L HN 0.409 nan 8.230 nan 0.000 0.431 972 D N 0.674 121.154 120.400 0.134 0.000 2.490 972 D HA 0.873 5.513 4.640 0.001 0.000 0.232 972 D C -1.043 175.278 176.300 0.035 0.000 1.053 972 D CA -0.140 53.935 54.000 0.126 0.000 0.914 972 D CB 2.427 43.396 40.800 0.282 0.000 1.431 972 D HN 0.764 nan 8.370 nan 0.000 0.483 973 A N 0.023 122.855 122.820 0.020 0.000 2.608 973 A HA 0.674 4.995 4.320 0.001 0.000 0.292 973 A C -0.493 177.086 177.584 -0.008 0.000 1.066 973 A CA -0.790 51.236 52.037 -0.017 0.000 0.676 973 A CB 0.875 19.865 19.000 -0.017 0.000 1.277 973 A HN 0.475 nan 8.150 nan 0.000 0.413 974 T N -1.787 112.759 114.554 -0.014 0.000 2.847 974 T HA 0.436 4.787 4.350 0.001 0.000 0.279 974 T C 1.141 175.871 174.700 0.050 0.000 0.984 974 T CA 0.698 62.807 62.100 0.015 0.000 0.988 974 T CB 0.590 69.459 68.868 0.001 0.000 1.040 974 T HN 0.866 nan 8.240 nan 0.000 0.528 975 H N 1.436 120.497 119.070 -0.015 0.000 2.268 975 H HA -0.201 4.355 4.556 0.001 0.000 0.288 975 H C 2.415 177.742 175.328 -0.001 0.000 1.088 975 H CA 2.814 58.860 56.048 -0.004 0.000 1.182 975 H CB -0.910 28.853 29.762 0.002 0.000 1.348 975 H HN 0.828 nan 8.280 nan 0.000 0.499 976 G N -1.768 107.191 108.800 0.265 0.000 2.469 976 G HA2 -0.304 3.657 3.960 0.001 0.000 0.219 976 G HA3 -0.304 3.657 3.960 0.001 0.000 0.219 976 G C 1.728 176.670 174.900 0.071 0.000 1.150 976 G CA 1.429 46.632 45.100 0.172 0.000 0.763 976 G HN 0.499 nan 8.290 nan 0.000 0.561 977 T N 1.491 116.069 114.554 0.040 0.000 2.777 977 T HA 0.098 4.449 4.350 0.001 0.000 0.266 977 T C 2.835 177.533 174.700 -0.005 0.000 1.040 977 T CA 1.357 63.463 62.100 0.010 0.000 1.141 977 T CB -0.356 68.508 68.868 -0.006 0.000 0.868 977 T HN 0.374 nan 8.240 nan 0.000 0.444 978 A N 1.703 124.509 122.820 -0.023 0.000 1.940 978 A HA -0.061 4.259 4.320 0.001 0.000 0.219 978 A C 2.241 179.786 177.584 -0.064 0.000 1.176 978 A CA 1.063 53.068 52.037 -0.053 0.000 0.631 978 A CB -0.712 18.231 19.000 -0.095 0.000 0.814 978 A HN 0.393 nan 8.150 nan 0.000 0.446 979 I N -0.060 120.466 120.570 -0.074 0.000 2.076 979 I HA -0.232 3.939 4.170 0.001 0.000 0.237 979 I C 2.532 178.640 176.117 -0.014 0.000 1.059 979 I CA 1.610 62.880 61.300 -0.051 0.000 1.317 979 I CB -1.405 36.594 38.000 -0.001 0.000 1.037 979 I HN 0.174 nan 8.210 nan 0.000 0.398 980 V N 1.241 121.158 119.914 0.004 0.000 2.324 980 V HA -0.286 3.834 4.120 0.001 0.000 0.250 980 V C 2.630 178.729 176.094 0.008 0.000 1.060 980 V CA 1.700 64.007 62.300 0.012 0.000 1.042 980 V CB -0.686 31.148 31.823 0.019 0.000 0.650 980 V HN 0.350 nan 8.190 nan 0.000 0.450 981 L N 0.336 121.561 121.223 0.003 0.000 2.046 981 L HA -0.077 4.264 4.340 0.001 0.000 0.208 981 L C 2.685 179.556 176.870 0.003 0.000 1.077 981 L CA 1.767 56.610 54.840 0.005 0.000 0.747 981 L CB -1.178 40.883 42.059 0.002 0.000 0.896 981 L HN 0.468 nan 8.230 nan 0.000 0.432 982 G N -0.229 108.566 108.800 -0.008 0.000 2.418 982 G HA2 -0.220 3.741 3.960 0.001 0.000 0.217 982 G HA3 -0.220 3.741 3.960 0.001 0.000 0.217 982 G C 1.335 176.234 174.900 -0.002 0.000 1.158 982 G CA 0.457 45.551 45.100 -0.009 0.000 0.771 982 G HN 0.465 nan 8.290 nan 0.000 0.545 983 E N 0.580 120.780 120.200 0.001 0.000 2.401 983 E HA 0.044 4.394 4.350 0.001 0.000 0.199 983 E C 2.323 178.929 176.600 0.010 0.000 1.023 983 E CA 0.560 56.964 56.400 0.006 0.000 0.859 983 E CB -0.032 29.674 29.700 0.010 0.000 0.780 983 E HN 0.472 nan 8.360 nan 0.000 0.523 984 A N 0.222 123.049 122.820 0.012 0.000 2.303 984 A HA 0.412 4.733 4.320 0.001 0.000 0.217 984 A C 1.658 179.251 177.584 0.016 0.000 1.205 984 A CA 0.555 52.602 52.037 0.016 0.000 0.875 984 A CB 0.342 19.354 19.000 0.021 0.000 0.910 984 A HN 0.289 nan 8.150 nan 0.000 0.501 985 G N -0.883 107.925 108.800 0.013 0.000 2.179 985 G HA2 -0.170 3.790 3.960 0.001 0.000 0.220 985 G HA3 -0.170 3.790 3.960 0.001 0.000 0.220 985 G C -0.000 174.909 174.900 0.015 0.000 0.990 985 G CA 0.102 45.210 45.100 0.013 0.000 0.646 985 G HN 0.404 nan 8.290 nan 0.000 0.517 986 I N 1.571 122.149 120.570 0.015 0.000 2.330 986 I HA 0.286 4.456 4.170 0.001 0.000 0.289 986 I C -0.198 175.926 176.117 0.011 0.000 1.001 986 I CA -0.558 60.752 61.300 0.017 0.000 1.193 986 I CB 1.257 39.269 38.000 0.021 0.000 1.345 986 I HN 0.106 nan 8.210 nan 0.000 0.461 987 N N 8.434 127.142 118.700 0.013 0.000 2.699 987 N HA 0.313 5.053 4.740 0.001 0.000 0.232 987 N C -2.346 173.173 175.510 0.014 0.000 1.027 987 N CA -1.342 51.713 53.050 0.007 0.000 0.920 987 N CB 0.831 39.321 38.487 0.005 0.000 1.148 987 N HN 0.369 nan 8.380 nan 0.000 0.509 988 P HA 0.063 nan 4.420 nan 0.000 0.274 988 P C -0.537 176.776 177.300 0.022 0.000 1.256 988 P CA -0.407 62.707 63.100 0.024 0.000 0.795 988 P CB 0.980 32.689 31.700 0.015 0.000 1.038 989 R N 1.155 121.680 120.500 0.041 0.000 2.234 989 R HA 0.276 4.617 4.340 0.001 0.000 0.324 989 R C -0.248 176.073 176.300 0.035 0.000 1.054 989 R CA -0.721 55.402 56.100 0.038 0.000 0.912 989 R CB -0.135 30.197 30.300 0.052 0.000 1.030 989 R HN 0.362 nan 8.270 nan 0.000 0.455 990 L N 5.415 126.647 121.223 0.014 0.000 2.453 990 L HA 0.222 4.563 4.340 0.001 0.000 0.272 990 L C -0.817 176.071 176.870 0.030 0.000 1.182 990 L CA 0.484 55.329 54.840 0.008 0.000 0.858 990 L CB 1.362 43.411 42.059 -0.017 0.000 1.120 990 L HN 0.484 nan 8.230 nan 0.000 0.474 991 V N 5.731 125.667 119.914 0.038 0.000 2.962 991 V HA 0.527 4.648 4.120 0.001 0.000 0.313 991 V C -0.547 175.570 176.094 0.037 0.000 1.099 991 V CA -0.739 61.594 62.300 0.055 0.000 0.971 991 V CB 2.411 34.293 31.823 0.098 0.000 1.028 991 V HN 0.983 nan 8.190 nan 0.000 0.430 992 N N 3.341 122.064 118.700 0.038 0.000 2.443 992 N HA 0.439 5.180 4.740 0.001 0.000 0.295 992 N C -0.770 174.737 175.510 -0.006 0.000 1.076 992 N CA -0.749 52.308 53.050 0.012 0.000 0.919 992 N CB 1.523 40.018 38.487 0.014 0.000 1.176 992 N HN 0.614 nan 8.380 nan 0.000 0.487 993 K N 0.380 120.700 120.400 -0.134 0.000 2.234 993 K HA 0.022 4.343 4.320 0.001 0.000 0.251 993 K C 0.969 177.467 176.600 -0.170 0.000 1.011 993 K CA -0.358 55.774 56.287 -0.259 0.000 0.889 993 K CB 0.510 32.635 32.500 -0.625 0.000 1.011 993 K HN 0.232 nan 8.250 nan 0.000 0.505 994 V N 1.542 121.338 119.914 -0.197 0.000 2.332 994 V HA -0.291 3.830 4.120 0.001 0.000 0.248 994 V C 1.957 178.113 176.094 0.104 0.000 1.055 994 V CA 2.311 64.519 62.300 -0.153 0.000 1.038 994 V CB -1.140 30.472 31.823 -0.351 0.000 0.651 994 V HN 0.836 nan 8.190 nan 0.000 0.450 995 H N 0.463 119.563 119.070 0.050 0.000 2.280 995 H HA -0.222 4.335 4.556 0.001 0.000 0.294 995 H C 2.076 177.450 175.328 0.076 0.000 1.064 995 H CA 1.705 57.784 56.048 0.052 0.000 1.208 995 H CB -1.029 28.742 29.762 0.015 0.000 1.365 995 H HN 0.365 nan 8.280 nan 0.000 0.511 996 E N 0.990 121.200 120.200 0.016 0.000 2.368 996 E HA -0.256 4.095 4.350 0.001 0.000 0.222 996 E C 1.119 177.745 176.600 0.042 0.000 1.099 996 E CA 1.459 57.876 56.400 0.028 0.000 0.885 996 E CB -0.294 29.372 29.700 -0.057 0.000 0.754 996 E HN 0.753 nan 8.360 nan 0.000 0.466 997 G N -0.877 107.953 108.800 0.051 0.000 2.255 997 G HA2 -0.009 3.952 3.960 0.001 0.000 0.216 997 G HA3 -0.009 3.952 3.960 0.001 0.000 0.216 997 G C -1.174 173.683 174.900 -0.071 0.000 1.307 997 G CA -0.420 44.684 45.100 0.008 0.000 1.162 997 G HN 0.099 nan 8.290 nan 0.000 0.494 998 R N 0.045 120.487 120.500 -0.097 0.000 2.799 998 R HA 0.665 5.006 4.340 0.001 0.000 0.270 998 R C -2.524 173.713 176.300 -0.106 0.000 1.010 998 R CA -1.213 54.783 56.100 -0.174 0.000 0.916 998 R CB 1.871 32.035 30.300 -0.227 0.000 1.228 998 R HN 0.542 nan 8.270 nan 0.000 0.469 999 P HA 0.203 nan 4.420 nan 0.000 0.278 999 P C -1.147 176.075 177.300 -0.128 0.000 1.258 999 P CA -0.444 62.528 63.100 -0.213 0.000 0.811 999 P CB 0.517 32.128 31.700 -0.148 0.000 1.063 1000 H N -0.479 118.583 119.070 -0.012 0.000 2.630 1000 H HA 0.264 4.821 4.556 0.001 0.000 0.343 1000 H C 1.052 176.386 175.328 0.009 0.000 1.232 1000 H CA -0.941 55.097 56.048 -0.017 0.000 1.294 1000 H CB 0.810 30.547 29.762 -0.040 0.000 1.746 1000 H HN 0.187 nan 8.280 nan 0.000 0.593 1001 I N -1.506 119.190 120.570 0.210 0.000 2.236 1001 I HA -0.339 3.831 4.170 0.001 0.000 0.249 1001 I C 2.323 178.528 176.117 0.146 0.000 1.102 1001 I CA 1.436 62.824 61.300 0.148 0.000 1.365 1001 I CB -0.971 37.042 38.000 0.021 0.000 1.051 1001 I HN 0.616 nan 8.210 nan 0.000 0.420 1002 Q N 1.047 120.878 119.800 0.052 0.000 2.096 1002 Q HA -0.251 4.090 4.340 0.001 0.000 0.204 1002 Q C 1.862 177.941 176.000 0.130 0.000 0.982 1002 Q CA 2.308 58.115 55.803 0.007 0.000 0.850 1002 Q CB -0.359 28.232 28.738 -0.245 0.000 0.901 1002 Q HN 0.658 nan 8.270 nan 0.000 0.422 1003 D N -0.138 120.456 120.400 0.324 0.000 2.097 1003 D HA -0.135 4.506 4.640 0.001 0.000 0.197 1003 D C 2.074 178.378 176.300 0.006 0.000 0.984 1003 D CA 0.877 54.949 54.000 0.120 0.000 0.826 1003 D CB -0.070 40.742 40.800 0.020 0.000 0.973 1003 D HN 0.290 nan 8.370 nan 0.000 0.460 1004 R N 0.417 120.948 120.500 0.053 0.000 2.081 1004 R HA -0.046 4.294 4.340 0.001 0.000 0.235 1004 R C 2.626 178.891 176.300 -0.060 0.000 1.131 1004 R CA 0.582 56.655 56.100 -0.045 0.000 0.960 1004 R CB -0.413 29.860 30.300 -0.046 0.000 0.856 1004 R HN 0.253 nan 8.270 nan 0.000 0.436 1005 I N 1.534 122.169 120.570 0.108 0.000 2.127 1005 I HA -0.342 3.829 4.170 0.001 0.000 0.241 1005 I C 2.729 178.725 176.117 -0.202 0.000 1.075 1005 I CA 1.594 62.958 61.300 0.106 0.000 1.334 1005 I CB -0.347 37.731 38.000 0.131 0.000 1.040 1005 I HN 0.169 nan 8.210 nan 0.000 0.405 1006 K N 1.145 121.303 120.400 -0.403 0.000 2.152 1006 K HA -0.245 4.076 4.320 0.001 0.000 0.206 1006 K C 1.696 177.965 176.600 -0.551 0.000 1.048 1006 K CA 1.993 57.711 56.287 -0.949 0.000 0.933 1006 K CB -0.361 31.715 32.500 -0.707 0.000 0.721 1006 K HN 0.355 nan 8.250 nan 0.000 0.447 1007 N N -0.492 118.038 118.700 -0.283 0.000 2.461 1007 N HA -0.017 4.724 4.740 0.001 0.000 0.188 1007 N C -0.052 175.368 175.510 -0.150 0.000 1.134 1007 N CA 0.489 53.428 53.050 -0.185 0.000 0.878 1007 N CB 0.178 38.584 38.487 -0.135 0.000 0.972 1007 N HN 0.480 nan 8.380 nan 0.000 0.456 1008 G N 1.591 110.299 108.800 -0.153 0.000 2.182 1008 G HA2 -0.257 3.703 3.960 0.001 0.000 0.248 1008 G HA3 -0.257 3.703 3.960 0.001 0.000 0.248 1008 G C 0.426 175.261 174.900 -0.109 0.000 1.042 1008 G CA 0.409 45.465 45.100 -0.073 0.000 0.775 1008 G HN 0.467 nan 8.290 nan 0.000 0.501 1009 E N -1.227 118.820 120.200 -0.256 0.000 2.208 1009 E HA 0.132 4.483 4.350 0.001 0.000 0.193 1009 E C 0.530 176.885 176.600 -0.407 0.000 0.988 1009 E CA 0.836 56.972 56.400 -0.440 0.000 0.828 1009 E CB 0.029 29.241 29.700 -0.813 0.000 0.763 1009 E HN 0.676 nan 8.360 nan 0.000 0.478 1010 Y N -1.376 118.960 120.300 0.059 0.000 2.487 1010 Y HA 0.268 4.819 4.550 0.001 0.000 0.337 1010 Y C 1.204 177.185 175.900 0.135 0.000 1.076 1010 Y CA -0.431 57.731 58.100 0.103 0.000 1.115 1010 Y CB 1.864 40.368 38.460 0.073 0.000 1.235 1010 Y HN -0.132 nan 8.280 nan 0.000 0.468 1011 T N -2.664 112.124 114.554 0.390 0.000 3.010 1011 T HA 0.245 4.595 4.350 0.001 0.000 0.257 1011 T C -0.727 174.237 174.700 0.440 0.000 1.020 1011 T CA 0.033 62.328 62.100 0.325 0.000 0.938 1011 T CB -0.146 68.842 68.868 0.200 0.000 1.049 1011 T HN 0.478 nan 8.240 nan 0.000 0.522 1012 Y N 0.310 120.769 120.300 0.266 0.000 2.519 1012 Y HA 0.650 5.201 4.550 0.001 0.000 0.336 1012 Y C -2.285 173.633 175.900 0.030 0.000 1.089 1012 Y CA -2.475 55.711 58.100 0.143 0.000 1.025 1012 Y CB 1.517 39.976 38.460 -0.001 0.000 1.318 1012 Y HN 0.152 nan 8.280 nan 0.000 0.452 1013 I N 7.032 127.066 120.570 -0.894 0.000 2.534 1013 I HA 0.372 4.543 4.170 0.001 0.000 0.288 1013 I C -1.460 174.100 176.117 -0.928 0.000 1.077 1013 I CA -0.914 59.930 61.300 -0.760 0.000 1.051 1013 I CB 2.071 39.844 38.000 -0.377 0.000 1.234 1013 I HN 0.499 nan 8.210 nan 0.000 0.425 1014 I N 7.225 127.389 120.570 -0.675 0.000 2.359 1014 I HA 0.362 4.533 4.170 0.001 0.000 0.284 1014 I C -0.715 175.276 176.117 -0.210 0.000 1.018 1014 I CA -0.115 60.965 61.300 -0.366 0.000 1.173 1014 I CB 0.592 38.470 38.000 -0.204 0.000 1.326 1014 I HN 0.571 nan 8.210 nan 0.000 0.462 1015 N N 5.685 124.306 118.700 -0.132 0.000 2.576 1015 N HA 0.286 5.026 4.740 0.001 0.000 0.269 1015 N C -1.241 174.247 175.510 -0.037 0.000 1.058 1015 N CA -0.229 52.765 53.050 -0.094 0.000 0.860 1015 N CB 1.120 39.531 38.487 -0.126 0.000 1.249 1015 N HN 0.624 nan 8.380 nan 0.000 0.525 1016 T N 0.351 114.888 114.554 -0.028 0.000 2.823 1016 T HA 0.577 4.928 4.350 0.001 0.000 0.279 1016 T C -0.239 174.452 174.700 -0.016 0.000 0.998 1016 T CA -0.260 61.839 62.100 -0.002 0.000 0.994 1016 T CB 1.905 70.785 68.868 0.020 0.000 0.960 1016 T HN 0.196 nan 8.240 nan 0.000 0.448 1017 T N 1.951 116.496 114.554 -0.016 0.000 2.896 1017 T HA 0.722 5.073 4.350 0.001 0.000 0.297 1017 T C -1.042 173.627 174.700 -0.051 0.000 1.108 1017 T CA -0.715 61.362 62.100 -0.038 0.000 1.004 1017 T CB 2.017 70.858 68.868 -0.045 0.000 1.159 1017 T HN 0.727 nan 8.240 nan 0.000 0.499 1018 S N 0.284 115.921 115.700 -0.105 0.000 2.572 1018 S HA 0.759 5.229 4.470 0.001 0.000 0.274 1018 S C -0.494 173.918 174.600 -0.313 0.000 1.150 1018 S CA 0.187 58.260 58.200 -0.211 0.000 0.944 1018 S CB 1.300 64.358 63.200 -0.237 0.000 1.071 1018 S HN 1.450 nan 8.310 nan 0.000 0.479 1019 G N 2.868 111.443 108.800 -0.374 0.000 3.233 1019 G HA2 -0.072 3.889 3.960 0.001 0.000 0.686 1019 G HA3 -0.072 3.889 3.960 0.001 0.000 0.686 1019 G C 0.010 174.844 174.900 -0.109 0.000 1.153 1019 G CA -0.417 44.509 45.100 -0.289 0.000 0.853 1019 G HN 0.644 nan 8.290 nan 0.000 0.582 1020 R N 0.703 121.182 120.500 -0.034 0.000 2.140 1020 R HA -0.109 4.232 4.340 0.001 0.000 0.250 1020 R C 2.703 178.991 176.300 -0.019 0.000 1.150 1020 R CA 2.505 58.602 56.100 -0.005 0.000 0.966 1020 R CB -0.213 30.105 30.300 0.030 0.000 0.869 1020 R HN 0.591 nan 8.270 nan 0.000 0.445 1021 R N -0.781 119.701 120.500 -0.029 0.000 2.055 1021 R HA 0.022 4.363 4.340 0.001 0.000 0.228 1021 R C 2.023 178.299 176.300 -0.040 0.000 1.143 1021 R CA 1.454 57.536 56.100 -0.031 0.000 0.945 1021 R CB -0.682 29.599 30.300 -0.033 0.000 0.841 1021 R HN 0.308 nan 8.270 nan 0.000 0.429 1022 A N 1.036 123.824 122.820 -0.054 0.000 1.997 1022 A HA -0.200 4.120 4.320 0.001 0.000 0.221 1022 A C 2.224 179.779 177.584 -0.050 0.000 1.172 1022 A CA 1.476 53.481 52.037 -0.054 0.000 0.645 1022 A CB -0.538 18.417 19.000 -0.075 0.000 0.813 1022 A HN 0.307 nan 8.150 nan 0.000 0.454 1023 I N -0.904 119.636 120.570 -0.050 0.000 2.141 1023 I HA -0.212 3.959 4.170 0.001 0.000 0.236 1023 I C 2.420 178.512 176.117 -0.042 0.000 1.071 1023 I CA 1.553 62.826 61.300 -0.045 0.000 1.345 1023 I CB -0.374 37.604 38.000 -0.036 0.000 1.066 1023 I HN 0.352 nan 8.210 nan 0.000 0.406 1024 E N 0.513 120.693 120.200 -0.033 0.000 2.273 1024 E HA -0.249 4.101 4.350 0.001 0.000 0.198 1024 E C 1.391 177.973 176.600 -0.031 0.000 1.002 1024 E CA 1.130 57.512 56.400 -0.029 0.000 0.828 1024 E CB -0.043 29.644 29.700 -0.021 0.000 0.747 1024 E HN 0.476 nan 8.360 nan 0.000 0.491 1025 D N -0.344 120.038 120.400 -0.030 0.000 2.144 1025 D HA -0.074 4.567 4.640 0.001 0.000 0.207 1025 D C 2.026 178.310 176.300 -0.025 0.000 0.970 1025 D CA 1.341 55.329 54.000 -0.020 0.000 0.853 1025 D CB -0.269 40.525 40.800 -0.010 0.000 1.007 1025 D HN 0.090 nan 8.370 nan 0.000 0.469 1026 S N 0.658 116.334 115.700 -0.039 0.000 2.595 1026 S HA -0.081 4.389 4.470 0.001 0.000 0.235 1026 S C 1.755 176.304 174.600 -0.084 0.000 0.974 1026 S CA 0.104 58.268 58.200 -0.060 0.000 0.942 1026 S CB -0.106 63.056 63.200 -0.065 0.000 0.766 1026 S HN 0.150 nan 8.310 nan 0.000 0.536 1027 R N 1.314 121.769 120.500 -0.074 0.000 2.119 1027 R HA -0.151 4.189 4.340 0.001 0.000 0.246 1027 R C 2.174 178.411 176.300 -0.106 0.000 1.146 1027 R CA 1.903 57.950 56.100 -0.088 0.000 0.962 1027 R CB -0.937 29.324 30.300 -0.066 0.000 0.863 1027 R HN 0.444 nan 8.270 nan 0.000 0.442 1028 V N 0.973 120.832 119.914 -0.092 0.000 2.392 1028 V HA -0.222 3.899 4.120 0.001 0.000 0.249 1028 V C 2.146 178.169 176.094 -0.119 0.000 1.059 1028 V CA 2.000 64.242 62.300 -0.097 0.000 1.051 1028 V CB -0.228 31.536 31.823 -0.098 0.000 0.658 1028 V HN 0.365 nan 8.190 nan 0.000 0.455 1029 I N -0.140 120.347 120.570 -0.140 0.000 2.252 1029 I HA -0.194 3.976 4.170 0.001 0.000 0.245 1029 I C 2.824 178.785 176.117 -0.259 0.000 1.102 1029 I CA 1.917 63.114 61.300 -0.171 0.000 1.385 1029 I CB -0.472 37.422 38.000 -0.177 0.000 1.064 1029 I HN 0.230 nan 8.210 nan 0.000 0.414 1030 R N 0.466 120.784 120.500 -0.302 0.000 2.066 1030 R HA -0.073 4.268 4.340 0.001 0.000 0.232 1030 R C 2.492 178.540 176.300 -0.421 0.000 1.131 1030 R CA 1.160 56.968 56.100 -0.487 0.000 0.955 1030 R CB -0.343 29.738 30.300 -0.365 0.000 0.851 1030 R HN 0.341 nan 8.270 nan 0.000 0.432 1031 R N 0.282 120.636 120.500 -0.243 0.000 2.083 1031 R HA -0.067 4.274 4.340 0.001 0.000 0.237 1031 R C 2.454 178.672 176.300 -0.135 0.000 1.137 1031 R CA 1.792 57.793 56.100 -0.166 0.000 0.951 1031 R CB -0.364 29.873 30.300 -0.105 0.000 0.851 1031 R HN 0.127 nan 8.270 nan 0.000 0.434 1032 S N 0.983 116.632 115.700 -0.086 0.000 2.368 1032 S HA -0.151 4.320 4.470 0.001 0.000 0.225 1032 S C 2.150 176.789 174.600 0.065 0.000 1.030 1032 S CA 1.233 59.465 58.200 0.053 0.000 0.999 1032 S CB -0.245 63.022 63.200 0.111 0.000 0.844 1032 S HN 0.488 nan 8.310 nan 0.000 0.459 1033 A N 1.324 124.073 122.820 -0.117 0.000 1.908 1033 A HA -0.077 4.244 4.320 0.001 0.000 0.218 1033 A C 2.139 179.693 177.584 -0.050 0.000 1.181 1033 A CA 1.440 53.399 52.037 -0.131 0.000 0.627 1033 A CB -0.715 18.025 19.000 -0.433 0.000 0.818 1033 A HN 0.411 nan 8.150 nan 0.000 0.445 1034 L N -0.240 120.898 121.223 -0.142 0.000 2.017 1034 L HA -0.194 4.147 4.340 0.001 0.000 0.208 1034 L C 2.640 179.493 176.870 -0.027 0.000 1.073 1034 L CA 2.646 57.494 54.840 0.013 0.000 0.745 1034 L CB -0.641 41.430 42.059 0.020 0.000 0.894 1034 L HN 0.629 nan 8.230 nan 0.000 0.432 1035 Q N -1.690 118.023 119.800 -0.146 0.000 2.170 1035 Q HA -0.239 4.102 4.340 0.001 0.000 0.203 1035 Q C 1.467 177.166 176.000 -0.502 0.000 0.976 1035 Q CA 1.901 57.496 55.803 -0.348 0.000 0.858 1035 Q CB -0.233 28.209 28.738 -0.494 0.000 0.907 1035 Q HN 0.680 nan 8.270 nan 0.000 0.433 1036 Y N 0.399 120.715 120.300 0.027 0.000 2.457 1036 Y HA 0.166 4.716 4.550 0.001 0.000 0.263 1036 Y C -0.059 175.883 175.900 0.069 0.000 1.164 1036 Y CA -0.141 57.986 58.100 0.045 0.000 1.274 1036 Y CB 0.822 39.310 38.460 0.046 0.000 1.097 1036 Y HN -0.024 nan 8.280 nan 0.000 0.523 1037 K N -1.082 119.411 120.400 0.156 0.000 3.167 1037 K HA -0.133 4.187 4.320 0.001 0.000 0.272 1037 K C -0.859 175.865 176.600 0.207 0.000 1.137 1037 K CA 0.350 56.735 56.287 0.164 0.000 0.800 1037 K CB -2.682 29.897 32.500 0.131 0.000 1.253 1037 K HN 0.132 nan 8.250 nan 0.000 0.497 1038 V N 1.228 121.282 119.914 0.233 0.000 2.439 1038 V HA 0.177 4.298 4.120 0.001 0.000 0.282 1038 V C 0.780 177.063 176.094 0.316 0.000 1.039 1038 V CA -0.817 61.637 62.300 0.257 0.000 0.913 1038 V CB 1.325 33.282 31.823 0.223 0.000 0.983 1038 V HN 0.369 nan 8.190 nan 0.000 0.460 1039 H N 4.959 124.180 119.070 0.252 0.000 2.886 1039 H HA 0.363 4.919 4.556 0.001 0.000 0.329 1039 H C -0.688 174.811 175.328 0.283 0.000 1.044 1039 H CA 0.168 56.365 56.048 0.248 0.000 1.456 1039 H CB 0.240 30.144 29.762 0.236 0.000 1.464 1039 H HN 0.686 nan 8.280 nan 0.000 0.573 1040 Y N 1.446 121.379 120.300 -0.612 0.000 2.553 1040 Y HA 0.481 5.031 4.550 0.001 0.000 0.347 1040 Y C -1.443 174.201 175.900 -0.427 0.000 1.019 1040 Y CA -1.356 56.465 58.100 -0.464 0.000 1.032 1040 Y CB 1.433 39.717 38.460 -0.293 0.000 1.284 1040 Y HN 0.431 nan 8.280 nan 0.000 0.466 1041 D N 1.276 121.574 120.400 -0.170 0.000 2.350 1041 D HA 0.246 4.887 4.640 0.001 0.000 0.245 1041 D C 0.286 176.598 176.300 0.020 0.000 1.036 1041 D CA -0.347 53.615 54.000 -0.064 0.000 0.848 1041 D CB 2.209 43.088 40.800 0.130 0.000 1.307 1041 D HN 0.824 nan 8.370 nan 0.000 0.469 1042 T N -2.753 111.827 114.554 0.044 0.000 3.054 1042 T HA 0.150 4.500 4.350 0.001 0.000 0.255 1042 T C 0.626 175.370 174.700 0.072 0.000 1.035 1042 T CA -0.124 62.024 62.100 0.080 0.000 0.941 1042 T CB -0.096 68.840 68.868 0.114 0.000 1.026 1042 T HN 0.416 nan 8.240 nan 0.000 0.533 1043 T N -0.953 113.650 114.554 0.083 0.000 2.900 1043 T HA 0.624 4.974 4.350 0.001 0.000 0.295 1043 T C 0.525 175.292 174.700 0.112 0.000 1.044 1043 T CA -0.895 61.268 62.100 0.105 0.000 0.995 1043 T CB 1.810 70.756 68.868 0.131 0.000 1.072 1043 T HN -0.083 nan 8.240 nan 0.000 0.473 1044 L N 2.071 123.371 121.223 0.128 0.000 2.093 1044 L HA 0.104 4.444 4.340 0.001 0.000 0.208 1044 L C 2.203 179.240 176.870 0.278 0.000 1.085 1044 L CA 1.608 56.539 54.840 0.152 0.000 0.755 1044 L CB -0.936 41.240 42.059 0.196 0.000 0.904 1044 L HN 0.703 nan 8.230 nan 0.000 0.435 1045 N N -0.209 118.653 118.700 0.271 0.000 2.104 1045 N HA -0.143 4.597 4.740 0.001 0.000 0.190 1045 N C 1.792 177.444 175.510 0.238 0.000 1.024 1045 N CA 1.421 54.642 53.050 0.286 0.000 0.853 1045 N CB -0.768 37.840 38.487 0.202 0.000 1.008 1045 N HN 0.458 nan 8.380 nan 0.000 0.424 1046 G N -0.174 108.738 108.800 0.187 0.000 2.402 1046 G HA2 -0.152 3.808 3.960 0.001 0.000 0.216 1046 G HA3 -0.152 3.808 3.960 0.001 0.000 0.216 1046 G C 1.620 176.606 174.900 0.143 0.000 1.162 1046 G CA 1.019 46.222 45.100 0.171 0.000 0.777 1046 G HN 0.434 nan 8.290 nan 0.000 0.539 1047 G N 0.420 109.292 108.800 0.121 0.000 2.440 1047 G HA2 -0.172 3.789 3.960 0.001 0.000 0.218 1047 G HA3 -0.172 3.789 3.960 0.001 0.000 0.218 1047 G C 1.592 176.426 174.900 -0.109 0.000 1.154 1047 G CA 0.737 45.865 45.100 0.045 0.000 0.767 1047 G HN 0.346 nan 8.290 nan 0.000 0.552 1048 F N 1.672 121.627 119.950 0.009 0.000 2.186 1048 F HA 0.083 4.610 4.527 0.001 0.000 0.299 1048 F C 2.993 178.739 175.800 -0.090 0.000 1.090 1048 F CA 0.876 58.860 58.000 -0.027 0.000 1.307 1048 F CB -0.283 38.714 39.000 -0.005 0.000 1.019 1048 F HN 0.242 nan 8.300 nan 0.000 0.489 1049 A N -0.569 122.239 122.820 -0.020 0.000 1.902 1049 A HA -0.169 4.152 4.320 0.001 0.000 0.217 1049 A C 2.254 179.570 177.584 -0.446 0.000 1.181 1049 A CA 2.245 54.001 52.037 -0.469 0.000 0.623 1049 A CB -1.289 17.039 19.000 -1.121 0.000 0.818 1049 A HN 0.324 nan 8.150 nan 0.000 0.443 1050 T N 0.327 114.791 114.554 -0.150 0.000 2.746 1050 T HA -0.042 4.309 4.350 0.001 0.000 0.267 1050 T C 2.229 176.854 174.700 -0.125 0.000 1.039 1050 T CA 1.628 63.721 62.100 -0.010 0.000 1.142 1050 T CB -0.474 68.384 68.868 -0.016 0.000 0.866 1050 T HN 0.603 nan 8.240 nan 0.000 0.444 1051 A N 1.887 124.614 122.820 -0.155 0.000 1.883 1051 A HA -0.114 4.206 4.320 0.001 0.000 0.217 1051 A C 2.379 179.939 177.584 -0.040 0.000 1.186 1051 A CA 1.645 53.601 52.037 -0.135 0.000 0.624 1051 A CB -0.679 18.256 19.000 -0.109 0.000 0.822 1051 A HN 0.424 nan 8.150 nan 0.000 0.444 1052 M N -0.559 119.043 119.600 0.003 0.000 2.065 1052 M HA -0.193 4.287 4.480 0.001 0.000 0.259 1052 M C 2.561 178.869 176.300 0.014 0.000 1.069 1052 M CA 1.706 57.030 55.300 0.040 0.000 1.110 1052 M CB -0.920 31.739 32.600 0.099 0.000 1.328 1052 M HN 0.481 nan 8.290 nan 0.000 0.405 1053 A N 0.576 123.396 122.820 0.000 0.000 2.084 1053 A HA -0.137 4.184 4.320 0.001 0.000 0.221 1053 A C 2.170 179.747 177.584 -0.013 0.000 1.161 1053 A CA 1.296 53.340 52.037 0.012 0.000 0.653 1053 A CB -1.042 18.031 19.000 0.122 0.000 0.802 1053 A HN 0.485 nan 8.150 nan 0.000 0.457 1054 L N -0.736 120.477 121.223 -0.017 0.000 2.127 1054 L HA -0.244 4.096 4.340 0.001 0.000 0.211 1054 L C 2.088 178.964 176.870 0.010 0.000 1.089 1054 L CA 1.697 56.536 54.840 -0.002 0.000 0.757 1054 L CB -0.552 41.517 42.059 0.016 0.000 0.899 1054 L HN 0.532 nan 8.230 nan 0.000 0.434 1055 N N -0.544 118.163 118.700 0.012 0.000 2.396 1055 N HA 0.027 4.768 4.740 0.001 0.000 0.180 1055 N C 0.593 176.105 175.510 0.003 0.000 1.028 1055 N CA 0.306 53.366 53.050 0.016 0.000 0.893 1055 N CB 0.113 38.616 38.487 0.026 0.000 0.967 1055 N HN 0.265 nan 8.380 nan 0.000 0.440 1056 A N 0.404 123.218 122.820 -0.010 0.000 2.269 1056 A HA 0.364 4.685 4.320 0.001 0.000 0.319 1056 A C -0.882 176.677 177.584 -0.043 0.000 1.110 1056 A CA -0.423 51.599 52.037 -0.024 0.000 0.847 1056 A CB 0.870 19.849 19.000 -0.034 0.000 1.161 1056 A HN 0.038 nan 8.150 nan 0.000 0.497 1057 D N 0.400 120.769 120.400 -0.051 0.000 2.462 1057 D HA 0.536 5.177 4.640 0.001 0.000 0.245 1057 D C 0.703 176.947 176.300 -0.093 0.000 1.122 1057 D CA 0.189 54.144 54.000 -0.075 0.000 0.864 1057 D CB 1.468 42.228 40.800 -0.067 0.000 1.098 1057 D HN 0.438 nan 8.370 nan 0.000 0.541 1058 A N 2.626 125.371 122.820 -0.126 0.000 2.015 1058 A HA -0.088 4.233 4.320 0.001 0.000 0.219 1058 A C 1.796 179.289 177.584 -0.153 0.000 1.163 1058 A CA 1.825 53.778 52.037 -0.141 0.000 0.646 1058 A CB -0.472 18.426 19.000 -0.171 0.000 0.806 1058 A HN 0.608 nan 8.150 nan 0.000 0.448 1059 T N -3.133 111.317 114.554 -0.174 0.000 3.107 1059 T HA 0.115 4.465 4.350 0.001 0.000 0.249 1059 T C 1.377 175.998 174.700 -0.132 0.000 1.096 1059 T CA 0.814 62.805 62.100 -0.182 0.000 1.012 1059 T CB 0.079 68.805 68.868 -0.237 0.000 0.977 1059 T HN 0.582 nan 8.240 nan 0.000 0.527 1060 E N 1.799 121.938 120.200 -0.101 0.000 2.017 1060 E HA -0.062 4.288 4.350 0.001 0.000 0.193 1060 E C 0.790 177.354 176.600 -0.061 0.000 0.997 1060 E CA 0.778 57.136 56.400 -0.070 0.000 0.804 1060 E CB 0.159 29.829 29.700 -0.050 0.000 0.757 1060 E HN 0.634 nan 8.360 nan 0.000 0.448 1061 K N 0.285 120.650 120.400 -0.058 0.000 2.422 1061 K HA 0.350 4.670 4.320 0.001 0.000 0.251 1061 K C -1.011 175.560 176.600 -0.048 0.000 0.933 1061 K CA -0.749 55.512 56.287 -0.044 0.000 0.798 1061 K CB 2.220 34.709 32.500 -0.019 0.000 1.238 1061 K HN 0.026 nan 8.250 nan 0.000 0.428 1062 V N 1.701 121.591 119.914 -0.041 0.000 2.815 1062 V HA 0.753 4.874 4.120 0.001 0.000 0.314 1062 V C -0.558 175.598 176.094 0.103 0.000 1.064 1062 V CA -0.826 61.468 62.300 -0.011 0.000 0.952 1062 V CB 1.469 33.205 31.823 -0.146 0.000 1.020 1062 V HN 0.924 nan 8.190 nan 0.000 0.439 1063 I N 2.794 123.477 120.570 0.189 0.000 2.752 1063 I HA 0.618 4.788 4.170 0.001 0.000 0.295 1063 I C 0.071 176.183 176.117 -0.010 0.000 1.219 1063 I CA -0.205 61.160 61.300 0.109 0.000 1.030 1063 I CB 2.554 40.528 38.000 -0.044 0.000 1.259 1063 I HN 1.117 nan 8.210 nan 0.000 0.423 1064 S N 4.750 120.271 115.700 -0.299 0.000 2.672 1064 S HA 0.353 4.823 4.470 0.001 0.000 0.276 1064 S C 0.809 175.153 174.600 -0.427 0.000 1.207 1064 S CA -0.585 57.195 58.200 -0.700 0.000 1.002 1064 S CB 1.824 64.550 63.200 -0.790 0.000 0.998 1064 S HN 0.460 nan 8.310 nan 0.000 0.542 1065 V N 1.833 121.485 119.914 -0.436 0.000 2.548 1065 V HA -0.102 4.019 4.120 0.001 0.000 0.249 1065 V C 2.639 178.461 176.094 -0.453 0.000 1.055 1065 V CA 1.660 63.681 62.300 -0.466 0.000 1.065 1065 V CB -1.376 30.193 31.823 -0.423 0.000 0.681 1065 V HN 0.822 nan 8.190 nan 0.000 0.462 1066 Q N 0.462 120.081 119.800 -0.301 0.000 2.084 1066 Q HA -0.195 4.145 4.340 0.001 0.000 0.202 1066 Q C 2.249 178.185 176.000 -0.106 0.000 0.978 1066 Q CA 1.909 57.614 55.803 -0.164 0.000 0.844 1066 Q CB -0.280 28.381 28.738 -0.128 0.000 0.898 1066 Q HN 0.697 nan 8.270 nan 0.000 0.426 1067 E N -0.204 119.912 120.200 -0.140 0.000 2.106 1067 E HA -0.162 4.188 4.350 0.001 0.000 0.192 1067 E C 1.941 178.516 176.600 -0.041 0.000 0.984 1067 E CA 1.071 57.426 56.400 -0.076 0.000 0.806 1067 E CB -0.121 29.529 29.700 -0.084 0.000 0.750 1067 E HN 0.379 nan 8.360 nan 0.000 0.458 1068 M N -0.059 119.467 119.600 -0.124 0.000 2.059 1068 M HA -0.168 4.312 4.480 0.001 0.000 0.259 1068 M C 2.082 178.519 176.300 0.229 0.000 1.072 1068 M CA 1.676 56.941 55.300 -0.058 0.000 1.117 1068 M CB -0.529 31.866 32.600 -0.343 0.000 1.320 1068 M HN 0.210 nan 8.290 nan 0.000 0.408 1069 H N -0.529 118.578 119.070 0.062 0.000 2.422 1069 H HA -0.095 4.462 4.556 0.001 0.000 0.298 1069 H C 2.037 177.396 175.328 0.052 0.000 1.098 1069 H CA 0.747 56.837 56.048 0.070 0.000 1.315 1069 H CB -0.064 29.717 29.762 0.031 0.000 1.382 1069 H HN 0.480 nan 8.280 nan 0.000 0.523 1070 A N 0.620 123.532 122.820 0.153 0.000 2.119 1070 A HA -0.116 4.205 4.320 0.001 0.000 0.217 1070 A C 2.047 179.680 177.584 0.082 0.000 1.153 1070 A CA 0.843 52.933 52.037 0.088 0.000 0.692 1070 A CB -0.051 18.980 19.000 0.052 0.000 0.799 1070 A HN 0.434 nan 8.150 nan 0.000 0.458 1071 Q N -0.538 119.334 119.800 0.119 0.000 2.424 1071 Q HA 0.196 4.537 4.340 0.001 0.000 0.204 1071 Q C -0.160 175.885 176.000 0.075 0.000 0.933 1071 Q CA -0.032 55.837 55.803 0.111 0.000 0.929 1071 Q CB 0.100 28.950 28.738 0.186 0.000 1.037 1071 Q HN 0.634 nan 8.270 nan 0.000 0.511 1072 I N 1.547 122.160 120.570 0.072 0.000 2.474 1072 I HA 0.092 4.263 4.170 0.001 0.000 0.287 1072 I C 0.169 176.283 176.117 -0.006 0.000 1.048 1072 I CA -0.129 61.174 61.300 0.005 0.000 1.383 1072 I CB 0.779 38.771 38.000 -0.014 0.000 1.412 1072 I HN -0.161 nan 8.210 nan 0.000 0.531 1073 K N 0.000 120.384 120.400 -0.027 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1073 K CA 0.000 56.274 56.287 -0.022 0.000 0.838 1073 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543