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 2epo_1_B DATA FIRST_RESID 2 DATA SEQUENCE ATFLGLSSKQ EKALVRLDKY LNLGEIAVSL VXXXXTSIKV EGRQGYYQVS DATA SEQUENCE YKQPHQLYRA LALLSAALRS GQDEVQIEEE AAYEDLAYMA DCSRNAVLNL DATA SEQUENCE SSAKKMIEVL ALMGYSTFEL YMEDTYEIEN QPYFGYFRGR YTVAELQEIE DATA SEQUENCE DYAADFDMSF VPCIQTLAHL SAFVKWGIKE VQELRDVEDI LLIGEEKVYD DATA SEQUENCE LIEGMFQTMA HLHTRKINIG MDEAHLVGLG RYLIKHGFQN RSLLMCQHLE DATA SEQUENCE RVLDIADKYG FNCQMWSDMF XXXXXXXXXX XXXXXXXXXX XVYLDRLKER DATA SEQUENCE VTLVYWDYYQ DSEEKYNRNF QNHHKISQDI AFAGGAWKWI GFTPHNHFSR DATA SEQUENCE LVAIEANKAC RKNQVKEVIV TGWGDNGGET SQFSVLPALQ IWAELAYRND DATA SEQUENCE LKKVSEHFLV STGLDFDDFM KIDLANLLPD LPDNLSGINP NRYVLYQDVL DATA SEQUENCE CPLLEQHIRP EKDKQHFASS AQQLGEISKR AGEYAYIFET QAQLNALLAL DATA SEQUENCE KISITSGIQK AYRNGDKEHL SALAEKDFPQ LYQMVEDFSD QFSRQWQQEN DATA SEQUENCE KIFGLDTIDI RFGGLLKRIK RAQERLEQFI SGQIDCVEEL EQEILPFNDF DATA SEQUENCE YKDQGLTATT ANQWHLIATA STIYTT 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.284 177.584 -0.500 0.000 1.274 2 A CA 0.000 51.846 52.037 -0.318 0.000 0.836 2 A CB 0.000 18.731 19.000 -0.448 0.000 0.831 3 T N 1.014 115.219 114.554 -0.581 0.000 2.824 3 T HA 0.690 5.046 4.350 0.009 0.000 0.282 3 T C -1.323 173.032 174.700 -0.574 0.000 0.993 3 T CA 0.107 61.950 62.100 -0.427 0.000 0.967 3 T CB 0.306 69.079 68.868 -0.158 0.000 0.960 3 T HN 0.392 nan 8.240 nan 0.000 0.441 4 F N 2.586 122.565 119.950 0.048 0.000 2.482 4 F HA 0.672 5.205 4.527 0.010 0.000 0.331 4 F C -0.437 175.388 175.800 0.043 0.000 1.115 4 F CA -1.205 56.821 58.000 0.043 0.000 0.955 4 F CB 1.174 40.199 39.000 0.043 0.000 1.136 4 F HN 0.231 nan 8.300 nan 0.000 0.452 5 L N 1.780 123.132 121.223 0.215 0.000 2.346 5 L HA 0.732 5.077 4.340 0.009 0.000 0.276 5 L C 0.597 177.538 176.870 0.117 0.000 1.006 5 L CA -0.389 54.536 54.840 0.141 0.000 0.817 5 L CB 1.831 43.963 42.059 0.122 0.000 1.272 5 L HN 0.837 nan 8.230 nan 0.000 0.421 6 G N 2.385 111.237 108.800 0.086 0.000 2.132 6 G HA2 -0.194 3.771 3.960 0.009 0.000 0.234 6 G HA3 -0.194 3.771 3.960 0.009 0.000 0.234 6 G C -0.157 174.773 174.900 0.050 0.000 0.989 6 G CA -0.276 44.857 45.100 0.055 0.000 0.676 6 G HN 0.381 nan 8.290 nan 0.000 0.522 7 L N 1.313 122.574 121.223 0.062 0.000 2.343 7 L HA 0.637 4.983 4.340 0.009 0.000 0.275 7 L C 1.398 178.286 176.870 0.030 0.000 1.056 7 L CA -0.297 54.567 54.840 0.040 0.000 0.804 7 L CB 1.569 43.640 42.059 0.021 0.000 1.203 7 L HN 0.408 nan 8.230 nan 0.000 0.440 8 S N -0.088 115.624 115.700 0.020 0.000 2.624 8 S HA 0.092 4.567 4.470 0.009 0.000 0.263 8 S C 1.205 175.803 174.600 -0.004 0.000 1.287 8 S CA -0.121 58.085 58.200 0.009 0.000 0.990 8 S CB 1.426 64.629 63.200 0.006 0.000 0.950 8 S HN 0.744 nan 8.310 nan 0.000 0.561 9 S N 1.140 116.834 115.700 -0.009 0.000 2.370 9 S HA -0.226 4.249 4.470 0.009 0.000 0.226 9 S C 1.784 176.358 174.600 -0.044 0.000 1.033 9 S CA 1.274 59.463 58.200 -0.019 0.000 1.011 9 S CB -0.825 62.364 63.200 -0.018 0.000 0.852 9 S HN 0.846 nan 8.310 nan 0.000 0.457 10 K N 1.206 121.574 120.400 -0.054 0.000 2.044 10 K HA -0.225 4.100 4.320 0.009 0.000 0.210 10 K C 2.517 179.057 176.600 -0.101 0.000 1.049 10 K CA 1.871 58.103 56.287 -0.092 0.000 0.927 10 K CB -0.312 32.139 32.500 -0.083 0.000 0.713 10 K HN 0.542 nan 8.250 nan 0.000 0.443 11 Q N 0.174 119.946 119.800 -0.048 0.000 2.124 11 Q HA -0.163 4.182 4.340 0.009 0.000 0.202 11 Q C 1.979 177.938 176.000 -0.068 0.000 0.977 11 Q CA 1.705 57.499 55.803 -0.014 0.000 0.850 11 Q CB 0.034 28.767 28.738 -0.008 0.000 0.901 11 Q HN 0.439 nan 8.270 nan 0.000 0.429 12 E N 0.787 120.945 120.200 -0.070 0.000 2.077 12 E HA -0.193 4.163 4.350 0.009 0.000 0.193 12 E C 1.866 178.421 176.600 -0.075 0.000 0.989 12 E CA 0.964 57.321 56.400 -0.071 0.000 0.800 12 E CB 0.027 29.723 29.700 -0.008 0.000 0.746 12 E HN 0.256 nan 8.360 nan 0.000 0.452 13 K N 0.543 120.887 120.400 -0.092 0.000 2.057 13 K HA -0.108 4.218 4.320 0.009 0.000 0.207 13 K C 2.186 178.686 176.600 -0.167 0.000 1.049 13 K CA 1.063 57.282 56.287 -0.113 0.000 0.931 13 K CB -0.121 32.296 32.500 -0.137 0.000 0.714 13 K HN 0.044 nan 8.250 nan 0.000 0.440 14 A N 1.498 124.167 122.820 -0.252 0.000 1.877 14 A HA -0.154 4.172 4.320 0.009 0.000 0.216 14 A C 2.048 179.582 177.584 -0.083 0.000 1.186 14 A CA 1.161 53.001 52.037 -0.328 0.000 0.620 14 A CB -0.533 18.178 19.000 -0.481 0.000 0.822 14 A HN 0.108 nan 8.150 nan 0.000 0.443 15 L N -0.217 120.960 121.223 -0.076 0.000 2.079 15 L HA -0.153 4.193 4.340 0.009 0.000 0.210 15 L C 2.657 179.535 176.870 0.013 0.000 1.081 15 L CA 1.509 56.285 54.840 -0.107 0.000 0.752 15 L CB -1.290 40.456 42.059 -0.520 0.000 0.896 15 L HN 0.264 nan 8.230 nan 0.000 0.433 16 V N -0.140 119.783 119.914 0.016 0.000 2.295 16 V HA -0.282 3.843 4.120 0.009 0.000 0.246 16 V C 2.663 178.809 176.094 0.086 0.000 1.049 16 V CA 1.613 63.953 62.300 0.067 0.000 1.024 16 V CB -0.477 31.372 31.823 0.044 0.000 0.648 16 V HN 0.433 nan 8.190 nan 0.000 0.447 17 R N -0.465 120.081 120.500 0.078 0.000 2.152 17 R HA -0.038 4.307 4.340 0.009 0.000 0.232 17 R C 1.968 178.404 176.300 0.226 0.000 1.117 17 R CA 1.125 57.314 56.100 0.148 0.000 0.981 17 R CB -0.232 30.174 30.300 0.176 0.000 0.870 17 R HN 0.436 nan 8.270 nan 0.000 0.451 18 L N -0.190 121.155 121.223 0.204 0.000 2.592 18 L HA 0.033 4.378 4.340 0.009 0.000 0.227 18 L C 1.492 178.532 176.870 0.282 0.000 1.127 18 L CA 0.128 55.131 54.840 0.271 0.000 0.884 18 L CB -0.093 42.040 42.059 0.123 0.000 1.065 18 L HN 0.105 nan 8.230 nan 0.000 0.457 19 D N 1.600 122.119 120.400 0.198 0.000 2.158 19 D HA -0.268 4.377 4.640 0.009 0.000 0.197 19 D C 2.149 178.527 176.300 0.129 0.000 0.995 19 D CA 1.567 55.668 54.000 0.169 0.000 0.846 19 D CB 0.210 41.097 40.800 0.145 0.000 0.941 19 D HN 0.360 nan 8.370 nan 0.000 0.456 20 K N -1.093 119.358 120.400 0.085 0.000 2.280 20 K HA -0.192 4.134 4.320 0.009 0.000 0.202 20 K C 1.333 177.869 176.600 -0.106 0.000 1.047 20 K CA 1.177 57.432 56.287 -0.052 0.000 0.942 20 K CB -0.393 32.006 32.500 -0.168 0.000 0.739 20 K HN 0.326 nan 8.250 nan 0.000 0.457 21 Y N 0.975 121.287 120.300 0.021 0.000 2.343 21 Y HA 0.160 4.716 4.550 0.009 0.000 0.294 21 Y C 2.066 177.980 175.900 0.022 0.000 1.122 21 Y CA 0.233 58.341 58.100 0.012 0.000 1.173 21 Y CB -0.005 38.453 38.460 -0.003 0.000 1.077 21 Y HN -0.139 nan 8.280 nan 0.000 0.542 22 L N -0.605 120.750 121.223 0.220 0.000 2.162 22 L HA -0.062 4.283 4.340 0.009 0.000 0.205 22 L C 0.259 177.191 176.870 0.104 0.000 1.086 22 L CA 0.536 55.463 54.840 0.145 0.000 0.778 22 L CB -0.430 41.720 42.059 0.151 0.000 0.928 22 L HN 0.222 nan 8.230 nan 0.000 0.446 23 N N 0.649 119.409 118.700 0.100 0.000 2.714 23 N HA -0.215 4.530 4.740 0.009 0.000 0.252 23 N C 0.759 176.304 175.510 0.058 0.000 1.014 23 N CA 0.552 53.643 53.050 0.068 0.000 0.735 23 N CB -1.425 37.091 38.487 0.049 0.000 0.924 23 N HN 0.355 nan 8.380 nan 0.000 0.540 24 L N -0.694 120.575 121.223 0.076 0.000 2.291 24 L HA -0.046 4.300 4.340 0.009 0.000 0.214 24 L C 1.930 178.816 176.870 0.026 0.000 1.120 24 L CA 1.119 55.989 54.840 0.050 0.000 0.799 24 L CB -0.572 41.538 42.059 0.085 0.000 0.925 24 L HN 0.591 nan 8.230 nan 0.000 0.446 25 G N 0.853 109.671 108.800 0.029 0.000 2.566 25 G HA2 -0.331 3.635 3.960 0.009 0.000 0.280 25 G HA3 -0.331 3.635 3.960 0.009 0.000 0.280 25 G C 0.026 174.925 174.900 -0.002 0.000 1.225 25 G CA 0.013 45.123 45.100 0.017 0.000 0.966 25 G HN 0.434 nan 8.290 nan 0.000 0.560 26 E N 1.235 121.438 120.200 0.006 0.000 2.110 26 E HA 0.411 4.766 4.350 0.009 0.000 0.300 26 E C 0.624 177.232 176.600 0.013 0.000 1.278 26 E CA 0.292 56.691 56.400 -0.001 0.000 1.365 26 E CB -0.380 29.325 29.700 0.008 0.000 1.283 26 E HN 0.635 nan 8.360 nan 0.000 0.490 27 I N -2.898 117.668 120.570 -0.006 0.000 3.042 27 I HA 0.789 4.964 4.170 0.009 0.000 0.310 27 I C -0.889 175.205 176.117 -0.039 0.000 1.117 27 I CA -1.503 59.820 61.300 0.039 0.000 1.003 27 I CB 2.029 40.111 38.000 0.136 0.000 1.228 27 I HN -0.027 nan 8.210 nan 0.000 0.443 28 A N 3.719 126.552 122.820 0.022 0.000 2.304 28 A HA 0.778 5.103 4.320 0.009 0.000 0.323 28 A C -0.767 176.789 177.584 -0.045 0.000 1.195 28 A CA -0.578 51.450 52.037 -0.015 0.000 0.826 28 A CB 1.272 20.350 19.000 0.129 0.000 1.184 28 A HN 0.554 nan 8.150 nan 0.000 0.496 29 V N 2.009 121.880 119.914 -0.071 0.000 2.487 29 V HA 0.625 4.751 4.120 0.009 0.000 0.298 29 V C 0.118 176.240 176.094 0.045 0.000 1.028 29 V CA -0.393 61.908 62.300 0.002 0.000 0.860 29 V CB 1.746 33.687 31.823 0.197 0.000 0.991 29 V HN 0.927 nan 8.190 nan 0.000 0.427 30 S N 4.799 120.457 115.700 -0.070 0.000 2.519 30 S HA 0.669 5.144 4.470 0.009 0.000 0.309 30 S C -1.023 173.577 174.600 -0.001 0.000 1.100 30 S CA -0.552 57.652 58.200 0.008 0.000 1.059 30 S CB 1.295 64.521 63.200 0.044 0.000 1.008 30 S HN 0.638 nan 8.310 nan 0.000 0.478 31 L N 7.658 128.894 121.223 0.022 0.000 2.278 31 L HA 0.658 5.003 4.340 0.009 0.000 0.287 31 L C -0.204 176.633 176.870 -0.056 0.000 1.072 31 L CA -0.004 54.819 54.840 -0.028 0.000 0.819 31 L CB 0.787 42.837 42.059 -0.014 0.000 1.176 31 L HN 0.582 nan 8.230 nan 0.000 0.435 38 S N 0.225 115.950 115.700 0.042 0.000 2.368 38 S HA 0.183 4.659 4.470 0.009 0.000 0.225 38 S C 0.740 175.395 174.600 0.091 0.000 1.030 38 S CA 0.869 59.116 58.200 0.079 0.000 0.999 38 S CB -0.497 62.772 63.200 0.115 0.000 0.844 38 S HN 0.630 nan 8.310 nan 0.000 0.459 39 I N 0.236 120.850 120.570 0.074 0.000 2.722 39 I HA 0.396 4.571 4.170 0.009 0.000 0.295 39 I C -0.717 175.410 176.117 0.017 0.000 1.161 39 I CA -0.560 60.764 61.300 0.040 0.000 1.032 39 I CB 2.482 40.489 38.000 0.012 0.000 1.244 39 I HN -0.107 nan 8.210 nan 0.000 0.421 40 K N 5.087 125.487 120.400 -0.001 0.000 2.482 40 K HA 0.757 5.083 4.320 0.009 0.000 0.251 40 K C -1.998 174.598 176.600 -0.006 0.000 0.936 40 K CA -0.520 55.765 56.287 -0.002 0.000 0.791 40 K CB 2.521 35.018 32.500 -0.006 0.000 1.213 40 K HN 0.386 nan 8.250 nan 0.000 0.428 41 V N 2.946 122.863 119.914 0.005 0.000 2.487 41 V HA 0.466 4.592 4.120 0.009 0.000 0.298 41 V C -0.976 175.149 176.094 0.053 0.000 1.028 41 V CA -0.710 61.600 62.300 0.018 0.000 0.860 41 V CB 1.532 33.352 31.823 -0.005 0.000 0.991 41 V HN 0.892 nan 8.190 nan 0.000 0.427 42 E N 2.588 122.836 120.200 0.080 0.000 2.291 42 E HA 0.714 5.069 4.350 0.009 0.000 0.276 42 E C -0.351 176.319 176.600 0.116 0.000 0.896 42 E CA -0.046 56.412 56.400 0.096 0.000 0.774 42 E CB 2.051 31.783 29.700 0.053 0.000 1.227 42 E HN 1.002 nan 8.360 nan 0.000 0.413 43 G N 2.612 111.498 108.800 0.144 0.000 2.321 43 G HA2 0.497 4.463 3.960 0.009 0.000 0.296 43 G HA3 0.497 4.463 3.960 0.009 0.000 0.296 43 G C -1.631 173.181 174.900 -0.146 0.000 1.287 43 G CA -0.487 44.566 45.100 -0.079 0.000 0.846 43 G HN 0.623 nan 8.290 nan 0.000 0.508 44 R N -1.624 118.631 120.500 -0.409 0.000 2.741 44 R HA 0.531 4.877 4.340 0.009 0.000 0.276 44 R C -0.873 175.262 176.300 -0.275 0.000 1.028 44 R CA -0.629 55.330 56.100 -0.236 0.000 0.865 44 R CB 0.320 30.595 30.300 -0.042 0.000 1.268 44 R HN 0.705 nan 8.270 nan 0.000 0.475 45 Q N -0.315 119.429 119.800 -0.093 0.000 2.451 45 Q HA -0.211 4.134 4.340 0.009 0.000 0.305 45 Q C 0.708 176.675 176.000 -0.054 0.000 1.345 45 Q CA 1.726 57.503 55.803 -0.043 0.000 0.854 45 Q CB -1.788 26.926 28.738 -0.039 0.000 1.162 45 Q HN 1.346 nan 8.270 nan 0.000 0.440 46 G N -0.743 108.035 108.800 -0.037 0.000 2.148 46 G HA2 -0.370 3.596 3.960 0.009 0.000 0.254 46 G HA3 -0.370 3.596 3.960 0.009 0.000 0.254 46 G C -0.399 174.501 174.900 0.001 0.000 0.981 46 G CA 0.605 45.746 45.100 0.069 0.000 0.670 46 G HN 0.570 nan 8.290 nan 0.000 0.528 47 Y N -0.092 119.932 120.300 -0.460 0.000 2.373 47 Y HA 0.677 5.232 4.550 0.009 0.000 0.336 47 Y C -0.937 174.564 175.900 -0.664 0.000 0.979 47 Y CA -1.626 56.261 58.100 -0.354 0.000 1.080 47 Y CB 1.282 39.614 38.460 -0.214 0.000 1.190 47 Y HN 0.135 nan 8.280 nan 0.000 0.446 48 Y N 3.685 123.591 120.300 -0.656 0.000 2.457 48 Y HA 0.436 4.991 4.550 0.009 0.000 0.343 48 Y C -0.604 174.964 175.900 -0.553 0.000 0.994 48 Y CA -1.028 56.812 58.100 -0.434 0.000 1.031 48 Y CB 2.195 40.544 38.460 -0.184 0.000 1.246 48 Y HN 0.494 nan 8.280 nan 0.000 0.449 49 Q N 2.589 122.262 119.800 -0.211 0.000 2.256 49 Q HA 0.698 5.044 4.340 0.009 0.000 0.257 49 Q C -0.944 175.032 176.000 -0.039 0.000 0.936 49 Q CA -1.103 54.620 55.803 -0.133 0.000 0.903 49 Q CB 2.557 31.263 28.738 -0.054 0.000 1.263 49 Q HN 0.585 nan 8.270 nan 0.000 0.440 50 V N -0.934 118.956 119.914 -0.040 0.000 2.823 50 V HA 0.931 5.056 4.120 0.009 0.000 0.312 50 V C -0.660 175.390 176.094 -0.073 0.000 1.072 50 V CA -0.609 61.672 62.300 -0.032 0.000 0.937 50 V CB 1.932 33.749 31.823 -0.011 0.000 1.013 50 V HN 0.847 nan 8.190 nan 0.000 0.430 51 S N 2.722 118.371 115.700 -0.084 0.000 2.607 51 S HA 0.941 5.417 4.470 0.009 0.000 0.273 51 S C -1.189 173.343 174.600 -0.114 0.000 1.148 51 S CA -0.695 57.387 58.200 -0.197 0.000 0.833 51 S CB 1.841 64.932 63.200 -0.182 0.000 1.130 51 S HN 1.966 nan 8.310 nan 0.000 0.470 52 Y N -1.150 119.103 120.300 -0.078 0.000 2.615 52 Y HA 0.721 5.276 4.550 0.009 0.000 0.341 52 Y C 0.588 176.449 175.900 -0.065 0.000 1.089 52 Y CA -1.325 56.721 58.100 -0.090 0.000 1.049 52 Y CB 1.214 39.584 38.460 -0.149 0.000 1.296 52 Y HN 0.720 nan 8.280 nan 0.000 0.470 53 K N 0.076 120.602 120.400 0.210 0.000 2.078 53 K HA 0.191 4.516 4.320 0.009 0.000 0.203 53 K C -0.285 176.446 176.600 0.219 0.000 1.043 53 K CA 0.805 57.182 56.287 0.150 0.000 0.960 53 K CB 0.200 32.748 32.500 0.080 0.000 0.761 53 K HN 0.847 nan 8.250 nan 0.000 0.448 54 Q N 0.271 120.140 119.800 0.115 0.000 2.256 54 Q HA 0.174 4.520 4.340 0.009 0.000 0.257 54 Q C -2.220 173.577 176.000 -0.339 0.000 0.936 54 Q CA -2.212 53.587 55.803 -0.006 0.000 0.903 54 Q CB 1.769 30.509 28.738 0.003 0.000 1.263 54 Q HN 0.006 nan 8.270 nan 0.000 0.440 55 P HA -0.272 nan 4.420 nan 0.000 0.216 55 P C 0.825 177.704 177.300 -0.702 0.000 1.154 55 P CA 1.766 64.375 63.100 -0.818 0.000 0.865 55 P CB 0.014 31.553 31.700 -0.269 0.000 0.789 56 H N -0.882 118.049 119.070 -0.232 0.000 2.489 56 H HA -0.088 4.473 4.556 0.009 0.000 0.295 56 H C 1.613 176.870 175.328 -0.117 0.000 1.082 56 H CA 1.197 57.228 56.048 -0.027 0.000 1.295 56 H CB -1.367 28.456 29.762 0.102 0.000 1.380 56 H HN 0.222 nan 8.280 nan 0.000 0.548 57 Q N 0.020 119.316 119.800 -0.840 0.000 2.436 57 Q HA -0.020 4.325 4.340 0.009 0.000 0.209 57 Q C 1.941 177.717 176.000 -0.374 0.000 0.965 57 Q CA 0.629 56.120 55.803 -0.520 0.000 0.910 57 Q CB -0.020 28.504 28.738 -0.358 0.000 0.980 57 Q HN 0.448 nan 8.270 nan 0.000 0.491 58 L N -0.243 120.615 121.223 -0.608 0.000 2.081 58 L HA -0.238 4.108 4.340 0.009 0.000 0.212 58 L C 1.469 178.036 176.870 -0.505 0.000 1.080 58 L CA 1.901 56.412 54.840 -0.549 0.000 0.754 58 L CB -0.385 41.137 42.059 -0.895 0.000 0.893 58 L HN 0.165 nan 8.230 nan 0.000 0.433 59 Y N -0.834 119.404 120.300 -0.103 0.000 2.286 59 Y HA -0.023 4.532 4.550 0.009 0.000 0.293 59 Y C 2.813 178.635 175.900 -0.130 0.000 1.124 59 Y CA 1.256 59.303 58.100 -0.088 0.000 1.178 59 Y CB -0.674 37.754 38.460 -0.054 0.000 1.010 59 Y HN 0.167 nan 8.280 nan 0.000 0.536 60 R N 0.636 121.091 120.500 -0.074 0.000 2.073 60 R HA -0.146 4.200 4.340 0.009 0.000 0.234 60 R C 2.389 178.561 176.300 -0.214 0.000 1.134 60 R CA 1.269 57.249 56.100 -0.200 0.000 0.952 60 R CB -0.448 29.627 30.300 -0.376 0.000 0.850 60 R HN 0.291 nan 8.270 nan 0.000 0.433 61 A N 1.142 123.852 122.820 -0.182 0.000 1.892 61 A HA -0.186 4.140 4.320 0.009 0.000 0.218 61 A C 2.185 179.706 177.584 -0.105 0.000 1.188 61 A CA 1.573 53.529 52.037 -0.134 0.000 0.631 61 A CB -0.646 18.305 19.000 -0.082 0.000 0.822 61 A HN 0.370 nan 8.150 nan 0.000 0.447 62 L N -0.997 120.181 121.223 -0.076 0.000 2.141 62 L HA -0.136 4.209 4.340 0.009 0.000 0.209 62 L C 3.044 179.890 176.870 -0.040 0.000 1.094 62 L CA 0.870 55.693 54.840 -0.029 0.000 0.763 62 L CB -0.515 41.561 42.059 0.028 0.000 0.908 62 L HN 0.427 nan 8.230 nan 0.000 0.437 63 A N 0.302 123.080 122.820 -0.069 0.000 1.902 63 A HA -0.151 4.175 4.320 0.009 0.000 0.217 63 A C 2.263 179.772 177.584 -0.126 0.000 1.181 63 A CA 1.351 53.338 52.037 -0.084 0.000 0.623 63 A CB -0.640 18.289 19.000 -0.119 0.000 0.818 63 A HN 0.349 nan 8.150 nan 0.000 0.443 64 L N -1.106 119.992 121.223 -0.208 0.000 2.046 64 L HA -0.175 4.170 4.340 0.009 0.000 0.208 64 L C 2.595 179.415 176.870 -0.083 0.000 1.077 64 L CA 1.295 56.014 54.840 -0.202 0.000 0.747 64 L CB -0.700 41.233 42.059 -0.210 0.000 0.896 64 L HN 0.471 nan 8.230 nan 0.000 0.432 65 L N -0.329 120.832 121.223 -0.103 0.000 2.017 65 L HA -0.211 4.135 4.340 0.009 0.000 0.208 65 L C 2.787 179.582 176.870 -0.125 0.000 1.073 65 L CA 2.076 56.828 54.840 -0.147 0.000 0.745 65 L CB -0.726 41.223 42.059 -0.183 0.000 0.894 65 L HN 0.167 nan 8.230 nan 0.000 0.432 66 S N -0.781 114.880 115.700 -0.066 0.000 2.359 66 S HA -0.220 4.256 4.470 0.009 0.000 0.224 66 S C 2.138 176.738 174.600 -0.000 0.000 1.035 66 S CA 1.480 59.665 58.200 -0.024 0.000 1.018 66 S CB -0.542 62.669 63.200 0.018 0.000 0.876 66 S HN 0.680 nan 8.310 nan 0.000 0.448 67 A N 1.425 124.264 122.820 0.032 0.000 1.873 67 A HA 0.236 4.562 4.320 0.009 0.000 0.215 67 A C 2.519 180.130 177.584 0.046 0.000 1.186 67 A CA 1.868 53.953 52.037 0.080 0.000 0.616 67 A CB -1.509 17.618 19.000 0.212 0.000 0.823 67 A HN 0.805 nan 8.150 nan 0.000 0.442 68 A N -0.043 122.791 122.820 0.024 0.000 1.892 68 A HA -0.151 4.174 4.320 0.009 0.000 0.218 68 A C 2.198 179.773 177.584 -0.015 0.000 1.188 68 A CA 1.766 53.803 52.037 0.001 0.000 0.631 68 A CB -0.726 18.258 19.000 -0.026 0.000 0.822 68 A HN 0.496 nan 8.150 nan 0.000 0.447 69 L N -1.558 119.636 121.223 -0.049 0.000 2.056 69 L HA -0.136 4.209 4.340 0.009 0.000 0.207 69 L C 2.785 179.654 176.870 -0.001 0.000 1.078 69 L CA 1.716 56.533 54.840 -0.038 0.000 0.749 69 L CB -0.474 41.540 42.059 -0.077 0.000 0.901 69 L HN 0.429 nan 8.230 nan 0.000 0.433 70 R N -0.071 120.433 120.500 0.007 0.000 2.152 70 R HA -0.114 4.231 4.340 0.009 0.000 0.232 70 R C 2.138 178.452 176.300 0.024 0.000 1.117 70 R CA 1.340 57.453 56.100 0.022 0.000 0.981 70 R CB -0.016 30.304 30.300 0.033 0.000 0.870 70 R HN 0.203 nan 8.270 nan 0.000 0.451 71 S N -0.971 114.742 115.700 0.022 0.000 2.555 71 S HA 0.092 4.567 4.470 0.009 0.000 0.230 71 S C 1.066 175.679 174.600 0.020 0.000 0.978 71 S CA 0.804 59.016 58.200 0.020 0.000 0.934 71 S CB 0.688 63.898 63.200 0.017 0.000 0.766 71 S HN 0.722 nan 8.310 nan 0.000 0.533 72 G N 0.943 109.756 108.800 0.022 0.000 2.179 72 G HA2 -0.198 3.768 3.960 0.009 0.000 0.220 72 G HA3 -0.198 3.768 3.960 0.009 0.000 0.220 72 G C -0.185 174.734 174.900 0.032 0.000 0.990 72 G CA -0.511 44.604 45.100 0.026 0.000 0.646 72 G HN 0.494 nan 8.290 nan 0.000 0.517 73 Q N -0.219 119.601 119.800 0.032 0.000 2.373 73 Q HA 0.457 4.803 4.340 0.009 0.000 0.255 73 Q C 0.918 176.961 176.000 0.072 0.000 0.980 73 Q CA 0.632 56.463 55.803 0.047 0.000 0.882 73 Q CB 1.160 29.923 28.738 0.042 0.000 1.249 73 Q HN 0.366 nan 8.270 nan 0.000 0.438 74 D N 0.910 121.368 120.400 0.097 0.000 2.725 74 D HA -0.050 4.596 4.640 0.009 0.000 0.269 74 D C -0.307 176.122 176.300 0.215 0.000 1.018 74 D CA 0.121 54.210 54.000 0.149 0.000 0.956 74 D CB 0.523 41.384 40.800 0.102 0.000 1.141 74 D HN 0.504 nan 8.370 nan 0.000 0.478 75 E N 0.372 120.657 120.200 0.142 0.000 2.316 75 E HA 0.370 4.726 4.350 0.009 0.000 0.275 75 E C -1.324 175.370 176.600 0.157 0.000 1.029 75 E CA -0.356 56.130 56.400 0.143 0.000 0.871 75 E CB 1.090 30.837 29.700 0.079 0.000 1.022 75 E HN -0.076 nan 8.360 nan 0.000 0.418 76 V N 4.952 124.993 119.914 0.212 0.000 2.588 76 V HA 0.299 4.424 4.120 0.009 0.000 0.304 76 V C -0.621 175.546 176.094 0.121 0.000 1.042 76 V CA -0.701 61.688 62.300 0.148 0.000 0.877 76 V CB 1.821 33.719 31.823 0.125 0.000 0.996 76 V HN 0.728 nan 8.190 nan 0.000 0.425 77 Q N 4.575 124.420 119.800 0.075 0.000 2.444 77 Q HA 0.616 4.961 4.340 0.009 0.000 0.251 77 Q C -1.570 174.455 176.000 0.042 0.000 0.939 77 Q CA -0.181 55.657 55.803 0.058 0.000 0.740 77 Q CB 2.117 30.884 28.738 0.049 0.000 1.308 77 Q HN 0.725 nan 8.270 nan 0.000 0.461 78 I N 1.594 122.186 120.570 0.036 0.000 2.498 78 I HA 0.433 4.609 4.170 0.009 0.000 0.290 78 I C -0.520 175.610 176.117 0.023 0.000 1.032 78 I CA -0.680 60.637 61.300 0.029 0.000 1.073 78 I CB 2.233 40.246 38.000 0.023 0.000 1.251 78 I HN 0.382 nan 8.210 nan 0.000 0.426 79 E N 5.280 125.495 120.200 0.025 0.000 2.248 79 E HA 0.546 4.902 4.350 0.009 0.000 0.267 79 E C -1.371 175.251 176.600 0.037 0.000 0.877 79 E CA -0.840 55.575 56.400 0.025 0.000 0.759 79 E CB 2.756 32.468 29.700 0.020 0.000 1.182 79 E HN 0.494 nan 8.360 nan 0.000 0.418 80 E N 1.637 121.868 120.200 0.052 0.000 2.266 80 E HA 0.289 4.645 4.350 0.009 0.000 0.268 80 E C -1.021 175.624 176.600 0.075 0.000 0.879 80 E CA -0.680 55.772 56.400 0.086 0.000 0.762 80 E CB 2.258 32.053 29.700 0.158 0.000 1.199 80 E HN 0.337 nan 8.360 nan 0.000 0.422 81 E N 1.288 121.512 120.200 0.039 0.000 2.145 81 E HA 0.421 4.777 4.350 0.009 0.000 0.262 81 E C -1.096 175.454 176.600 -0.083 0.000 0.883 81 E CA -0.661 55.732 56.400 -0.012 0.000 0.748 81 E CB 1.792 31.473 29.700 -0.032 0.000 1.140 81 E HN 0.486 nan 8.360 nan 0.000 0.417 82 A N 2.125 124.852 122.820 -0.155 0.000 2.388 82 A HA 0.458 4.784 4.320 0.009 0.000 0.257 82 A C 1.027 178.392 177.584 -0.366 0.000 1.095 82 A CA 0.139 51.935 52.037 -0.403 0.000 0.791 82 A CB 0.813 19.411 19.000 -0.671 0.000 1.029 82 A HN 0.778 nan 8.150 nan 0.000 0.489 83 A N 1.850 124.341 122.820 -0.549 0.000 2.119 83 A HA 0.287 4.613 4.320 0.009 0.000 0.216 83 A C 0.210 177.387 177.584 -0.678 0.000 1.152 83 A CA 0.764 52.381 52.037 -0.700 0.000 0.708 83 A CB -0.181 18.195 19.000 -1.040 0.000 0.805 83 A HN 0.752 nan 8.150 nan 0.000 0.460 84 Y N -0.954 119.278 120.300 -0.114 0.000 2.376 84 Y HA 0.367 4.922 4.550 0.009 0.000 0.340 84 Y C 0.864 176.726 175.900 -0.062 0.000 0.965 84 Y CA -0.946 57.113 58.100 -0.068 0.000 1.078 84 Y CB 1.556 39.983 38.460 -0.053 0.000 1.193 84 Y HN 0.168 nan 8.280 nan 0.000 0.452 85 E N 1.070 121.347 120.200 0.128 0.000 2.106 85 E HA -0.093 4.263 4.350 0.009 0.000 0.192 85 E C -0.454 176.213 176.600 0.112 0.000 0.984 85 E CA 0.987 57.444 56.400 0.095 0.000 0.806 85 E CB 0.288 30.037 29.700 0.082 0.000 0.750 85 E HN 0.560 nan 8.360 nan 0.000 0.458 86 D N 0.049 120.511 120.400 0.104 0.000 2.646 86 D HA 0.326 4.971 4.640 0.009 0.000 0.245 86 D C -1.348 174.978 176.300 0.043 0.000 1.099 86 D CA -0.540 53.500 54.000 0.067 0.000 0.849 86 D CB 2.482 43.307 40.800 0.041 0.000 1.448 86 D HN -0.111 nan 8.370 nan 0.000 0.489 87 L N 1.938 123.175 121.223 0.023 0.000 2.404 87 L HA 0.693 5.039 4.340 0.009 0.000 0.272 87 L C -1.413 175.528 176.870 0.118 0.000 0.980 87 L CA -0.418 54.407 54.840 -0.025 0.000 0.836 87 L CB 1.497 43.470 42.059 -0.143 0.000 1.238 87 L HN 0.451 nan 8.230 nan 0.000 0.408 88 A N 3.986 126.907 122.820 0.169 0.000 2.374 88 A HA 0.702 5.027 4.320 0.009 0.000 0.317 88 A C -2.056 175.718 177.584 0.316 0.000 1.094 88 A CA -0.472 51.706 52.037 0.235 0.000 0.765 88 A CB 1.168 20.186 19.000 0.031 0.000 1.268 88 A HN 0.665 nan 8.150 nan 0.000 0.438 89 Y N 2.041 122.390 120.300 0.081 0.000 2.341 89 Y HA 0.629 5.184 4.550 0.010 0.000 0.338 89 Y C -0.411 175.404 175.900 -0.140 0.000 0.965 89 Y CA -1.198 56.854 58.100 -0.080 0.000 1.108 89 Y CB 1.628 39.956 38.460 -0.221 0.000 1.180 89 Y HN 0.675 nan 8.280 nan 0.000 0.458 90 M N 6.549 125.578 119.600 -0.952 0.000 2.114 90 M HA 0.710 5.196 4.480 0.009 0.000 0.332 90 M C -1.359 174.174 176.300 -1.278 0.000 1.014 90 M CA -0.591 54.129 55.300 -0.967 0.000 0.956 90 M CB 0.653 32.843 32.600 -0.683 0.000 1.551 90 M HN 0.883 nan 8.290 nan 0.000 0.427 91 A N 3.596 125.804 122.820 -1.020 0.000 2.306 91 A HA 0.413 4.738 4.320 0.009 0.000 0.314 91 A C -0.710 176.658 177.584 -0.359 0.000 1.164 91 A CA -0.589 51.081 52.037 -0.612 0.000 0.822 91 A CB 0.642 19.489 19.000 -0.255 0.000 1.130 91 A HN 0.777 nan 8.150 nan 0.000 0.496 92 D N 1.099 121.369 120.400 -0.216 0.000 2.312 92 D HA 0.286 4.932 4.640 0.009 0.000 0.252 92 D C -0.186 176.140 176.300 0.044 0.000 1.150 92 D CA -0.087 53.902 54.000 -0.019 0.000 0.870 92 D CB 0.859 41.687 40.800 0.047 0.000 1.153 92 D HN 0.332 nan 8.370 nan 0.000 0.457 93 C N 2.608 121.961 119.300 0.088 0.000 2.849 93 C HA 0.268 4.733 4.460 0.009 0.000 0.271 93 C C 1.375 176.378 174.990 0.022 0.000 1.519 93 C CA -0.349 58.700 59.018 0.052 0.000 1.783 93 C CB -0.839 26.967 27.740 0.111 0.000 2.869 93 C HN 0.536 nan 8.230 nan 0.000 0.527 94 S N 0.024 115.765 115.700 0.069 0.000 2.632 94 S HA 0.103 4.578 4.470 0.009 0.000 0.237 94 S C 1.335 175.984 174.600 0.081 0.000 1.037 94 S CA -0.083 58.134 58.200 0.029 0.000 1.009 94 S CB 0.174 63.352 63.200 -0.037 0.000 0.974 94 S HN 0.354 nan 8.310 nan 0.000 0.544 95 R N 2.076 122.647 120.500 0.118 0.000 2.466 95 R HA 0.423 4.769 4.340 0.009 0.000 0.279 95 R C 0.346 176.730 176.300 0.140 0.000 0.976 95 R CA -0.143 56.029 56.100 0.120 0.000 1.081 95 R CB -1.033 29.348 30.300 0.135 0.000 1.215 95 R HN 0.487 nan 8.270 nan 0.000 0.546 96 N N -2.667 116.125 118.700 0.152 0.000 2.777 96 N HA -0.140 4.605 4.740 0.009 0.000 0.156 96 N C -0.414 175.312 175.510 0.359 0.000 1.614 96 N CA 0.572 53.770 53.050 0.246 0.000 2.631 96 N CB -0.864 37.779 38.487 0.261 0.000 1.322 96 N HN 0.165 nan 8.380 nan 0.000 0.952 97 A N 1.968 124.904 122.820 0.193 0.000 2.316 97 A HA 0.579 4.904 4.320 0.009 0.000 0.311 97 A C 0.039 177.550 177.584 -0.122 0.000 1.339 97 A CA -0.056 51.876 52.037 -0.176 0.000 0.960 97 A CB 0.367 19.136 19.000 -0.385 0.000 1.152 97 A HN 0.057 nan 8.150 nan 0.000 0.547 98 V N 4.622 124.468 119.914 -0.112 0.000 2.348 98 V HA 0.145 4.270 4.120 0.009 0.000 0.270 98 V C 0.277 176.325 176.094 -0.077 0.000 1.037 98 V CA -0.570 61.659 62.300 -0.118 0.000 0.872 98 V CB 0.873 32.557 31.823 -0.232 0.000 1.002 98 V HN 0.825 nan 8.190 nan 0.000 0.464 99 L N 6.537 127.782 121.223 0.038 0.000 2.559 99 L HA 0.128 4.474 4.340 0.009 0.000 0.274 99 L C 0.669 177.635 176.870 0.159 0.000 1.205 99 L CA 0.472 55.361 54.840 0.081 0.000 0.907 99 L CB 0.180 42.332 42.059 0.156 0.000 1.153 99 L HN 0.912 nan 8.230 nan 0.000 0.490 100 N N 3.764 122.515 118.700 0.084 0.000 2.408 100 N HA 0.106 4.852 4.740 0.009 0.000 0.260 100 N C 0.663 176.240 175.510 0.111 0.000 1.242 100 N CA -0.505 52.609 53.050 0.106 0.000 0.959 100 N CB 0.350 38.864 38.487 0.046 0.000 1.201 100 N HN 0.449 nan 8.380 nan 0.000 0.511 101 L N -0.128 121.146 121.223 0.085 0.000 2.046 101 L HA -0.088 4.257 4.340 0.009 0.000 0.208 101 L C 2.472 179.324 176.870 -0.031 0.000 1.077 101 L CA 1.590 56.445 54.840 0.025 0.000 0.747 101 L CB -1.356 40.705 42.059 0.003 0.000 0.896 101 L HN 0.839 nan 8.230 nan 0.000 0.432 102 S N -1.337 114.348 115.700 -0.024 0.000 2.368 102 S HA -0.181 4.294 4.470 0.009 0.000 0.225 102 S C 2.184 176.781 174.600 -0.006 0.000 1.030 102 S CA 1.746 59.915 58.200 -0.051 0.000 0.999 102 S CB -0.115 63.059 63.200 -0.043 0.000 0.844 102 S HN 0.499 nan 8.310 nan 0.000 0.459 103 S N 1.123 116.869 115.700 0.078 0.000 2.406 103 S HA 0.160 4.636 4.470 0.009 0.000 0.228 103 S C 2.196 176.910 174.600 0.190 0.000 1.020 103 S CA 0.786 59.128 58.200 0.237 0.000 0.965 103 S CB -0.520 62.863 63.200 0.305 0.000 0.798 103 S HN 0.671 nan 8.310 nan 0.000 0.488 104 A N 2.180 125.053 122.820 0.088 0.000 1.908 104 A HA -0.166 4.160 4.320 0.009 0.000 0.218 104 A C 2.049 179.568 177.584 -0.108 0.000 1.181 104 A CA 1.546 53.604 52.037 0.035 0.000 0.627 104 A CB -0.433 18.627 19.000 0.101 0.000 0.818 104 A HN 0.441 nan 8.150 nan 0.000 0.445 105 K N -0.404 119.902 120.400 -0.157 0.000 2.026 105 K HA -0.162 4.164 4.320 0.009 0.000 0.208 105 K C 2.253 178.792 176.600 -0.102 0.000 1.048 105 K CA 1.600 57.682 56.287 -0.341 0.000 0.929 105 K CB -0.194 31.865 32.500 -0.736 0.000 0.713 105 K HN 0.520 nan 8.250 nan 0.000 0.439 106 K N 0.912 121.303 120.400 -0.016 0.000 2.044 106 K HA -0.227 4.099 4.320 0.009 0.000 0.210 106 K C 2.261 178.940 176.600 0.132 0.000 1.049 106 K CA 1.725 58.066 56.287 0.089 0.000 0.927 106 K CB -0.099 32.462 32.500 0.100 0.000 0.713 106 K HN -0.021 nan 8.250 nan 0.000 0.443 107 M N 1.228 120.928 119.600 0.167 0.000 2.117 107 M HA -0.103 4.382 4.480 0.009 0.000 0.262 107 M C 1.715 177.890 176.300 -0.209 0.000 1.065 107 M CA 1.500 56.834 55.300 0.056 0.000 1.114 107 M CB -0.189 32.358 32.600 -0.088 0.000 1.361 107 M HN 0.262 nan 8.290 nan 0.000 0.408 108 I N -0.074 120.303 120.570 -0.323 0.000 2.208 108 I HA -0.318 3.858 4.170 0.009 0.000 0.245 108 I C 2.110 177.978 176.117 -0.415 0.000 1.097 108 I CA 1.603 62.690 61.300 -0.355 0.000 1.363 108 I CB -0.545 37.354 38.000 -0.169 0.000 1.051 108 I HN 0.392 nan 8.210 nan 0.000 0.413 109 E N 0.142 120.120 120.200 -0.371 0.000 2.058 109 E HA -0.210 4.145 4.350 0.009 0.000 0.194 109 E C 2.312 178.559 176.600 -0.587 0.000 0.997 109 E CA 1.565 57.586 56.400 -0.631 0.000 0.801 109 E CB -0.166 29.356 29.700 -0.297 0.000 0.746 109 E HN 0.305 nan 8.360 nan 0.000 0.450 110 V N 1.476 121.192 119.914 -0.330 0.000 2.295 110 V HA -0.250 3.875 4.120 0.009 0.000 0.246 110 V C 2.331 178.299 176.094 -0.210 0.000 1.049 110 V CA 1.479 63.632 62.300 -0.244 0.000 1.024 110 V CB -0.448 31.346 31.823 -0.049 0.000 0.648 110 V HN 0.258 nan 8.190 nan 0.000 0.447 111 L N 0.062 121.160 121.223 -0.208 0.000 2.042 111 L HA -0.193 4.152 4.340 0.009 0.000 0.210 111 L C 2.758 179.628 176.870 0.001 0.000 1.076 111 L CA 1.608 56.377 54.840 -0.120 0.000 0.749 111 L CB -0.873 41.080 42.059 -0.177 0.000 0.893 111 L HN 0.373 nan 8.230 nan 0.000 0.432 112 A N 0.352 123.066 122.820 -0.177 0.000 1.865 112 A HA -0.204 4.121 4.320 0.009 0.000 0.217 112 A C 2.238 179.798 177.584 -0.039 0.000 1.191 112 A CA 1.676 53.636 52.037 -0.127 0.000 0.623 112 A CB -0.837 17.856 19.000 -0.512 0.000 0.826 112 A HN 0.368 nan 8.150 nan 0.000 0.444 113 L N -1.216 119.900 121.223 -0.179 0.000 2.131 113 L HA -0.191 4.154 4.340 0.009 0.000 0.210 113 L C 2.784 179.614 176.870 -0.067 0.000 1.092 113 L CA 1.399 56.157 54.840 -0.136 0.000 0.759 113 L CB -0.406 41.500 42.059 -0.255 0.000 0.903 113 L HN 0.431 nan 8.230 nan 0.000 0.435 114 M N -1.453 118.156 119.600 0.015 0.000 2.288 114 M HA 0.043 4.529 4.480 0.009 0.000 0.266 114 M C 1.463 177.796 176.300 0.055 0.000 1.072 114 M CA 1.340 56.700 55.300 0.101 0.000 1.132 114 M CB 0.041 32.822 32.600 0.302 0.000 1.386 114 M HN 0.432 nan 8.290 nan 0.000 0.432 115 G N -1.013 107.861 108.800 0.123 0.000 2.198 115 G HA2 -0.169 3.797 3.960 0.009 0.000 0.156 115 G HA3 -0.169 3.797 3.960 0.009 0.000 0.156 115 G C -0.444 174.653 174.900 0.329 0.000 1.012 115 G CA -0.804 44.361 45.100 0.108 0.000 0.692 115 G HN 0.294 nan 8.290 nan 0.000 0.492 116 Y N 1.866 122.288 120.300 0.202 0.000 2.425 116 Y HA 0.365 4.920 4.550 0.009 0.000 0.331 116 Y C 1.933 177.761 175.900 -0.120 0.000 1.157 116 Y CA 0.726 58.897 58.100 0.118 0.000 1.372 116 Y CB 1.463 39.984 38.460 0.102 0.000 1.253 116 Y HN 0.224 nan 8.280 nan 0.000 0.536 117 S N -0.622 114.969 115.700 -0.182 0.000 2.503 117 S HA 0.182 4.658 4.470 0.009 0.000 0.217 117 S C 0.311 174.818 174.600 -0.155 0.000 0.999 117 S CA 0.166 57.999 58.200 -0.612 0.000 0.914 117 S CB 0.082 63.026 63.200 -0.426 0.000 0.782 117 S HN 0.583 nan 8.310 nan 0.000 0.520 118 T N 1.792 116.377 114.554 0.052 0.000 2.993 118 T HA 0.537 4.893 4.350 0.009 0.000 0.312 118 T C -1.945 172.894 174.700 0.231 0.000 1.115 118 T CA -0.461 61.707 62.100 0.113 0.000 1.027 118 T CB 1.614 70.510 68.868 0.048 0.000 1.116 118 T HN 0.232 nan 8.240 nan 0.000 0.464 119 F N 2.704 122.692 119.950 0.063 0.000 2.469 119 F HA 0.652 5.184 4.527 0.009 0.000 0.332 119 F C -0.273 175.490 175.800 -0.062 0.000 1.103 119 F CA -1.011 57.024 58.000 0.058 0.000 0.979 119 F CB 1.206 40.300 39.000 0.157 0.000 1.137 119 F HN 0.520 nan 8.300 nan 0.000 0.463 120 E N 6.207 125.977 120.200 -0.716 0.000 2.317 120 E HA 0.534 4.890 4.350 0.009 0.000 0.270 120 E C -1.533 174.510 176.600 -0.928 0.000 0.885 120 E CA -0.959 54.962 56.400 -0.799 0.000 0.760 120 E CB 3.066 32.446 29.700 -0.534 0.000 1.227 120 E HN 0.525 nan 8.360 nan 0.000 0.434 121 L N 2.372 123.191 121.223 -0.674 0.000 2.356 121 L HA 0.396 4.742 4.340 0.009 0.000 0.277 121 L C -1.071 175.673 176.870 -0.209 0.000 0.996 121 L CA -1.057 53.554 54.840 -0.381 0.000 0.822 121 L CB 1.376 43.347 42.059 -0.148 0.000 1.256 121 L HN 0.588 nan 8.230 nan 0.000 0.413 122 Y N 4.676 124.825 120.300 -0.251 0.000 2.425 122 Y HA 0.520 5.076 4.550 0.010 0.000 0.347 122 Y C -0.473 175.418 175.900 -0.015 0.000 0.976 122 Y CA -0.458 57.560 58.100 -0.136 0.000 1.190 122 Y CB 0.839 39.200 38.460 -0.164 0.000 1.136 122 Y HN 0.523 nan 8.280 nan 0.000 0.517 123 M N 6.433 125.810 119.600 -0.371 0.000 2.022 123 M HA 0.241 4.726 4.480 0.009 0.000 0.298 123 M C 0.314 176.485 176.300 -0.215 0.000 0.909 123 M CA -0.181 55.013 55.300 -0.177 0.000 0.914 123 M CB 1.724 34.425 32.600 0.168 0.000 1.486 123 M HN 0.699 nan 8.290 nan 0.000 0.415 124 E N 1.697 121.662 120.200 -0.393 0.000 2.008 124 E HA -0.157 4.199 4.350 0.009 0.000 0.191 124 E C 0.723 177.167 176.600 -0.259 0.000 0.986 124 E CA 1.466 57.707 56.400 -0.265 0.000 0.807 124 E CB 0.261 29.831 29.700 -0.217 0.000 0.766 124 E HN 0.742 nan 8.360 nan 0.000 0.450 125 D N -0.539 119.582 120.400 -0.466 0.000 2.527 125 D HA -0.033 4.612 4.640 0.009 0.000 0.224 125 D C 0.306 176.134 176.300 -0.786 0.000 1.217 125 D CA 0.229 53.569 54.000 -1.100 0.000 0.819 125 D CB 0.172 40.389 40.800 -0.971 0.000 1.061 125 D HN 0.028 nan 8.370 nan 0.000 0.515 126 T N -0.482 113.868 114.554 -0.341 0.000 3.341 126 T HA 0.372 4.727 4.350 0.009 0.000 0.234 126 T C -0.180 174.571 174.700 0.084 0.000 0.890 126 T CA -0.581 61.418 62.100 -0.168 0.000 0.952 126 T CB -1.323 67.460 68.868 -0.142 0.000 1.146 126 T HN 0.283 nan 8.240 nan 0.000 0.591 127 Y N -1.773 118.562 120.300 0.058 0.000 2.609 127 Y HA 0.649 5.203 4.550 0.007 0.000 0.336 127 Y C -0.634 175.351 175.900 0.143 0.000 1.129 127 Y CA -1.850 56.323 58.100 0.123 0.000 1.040 127 Y CB 1.005 39.541 38.460 0.127 0.000 1.310 127 Y HN 0.263 nan 8.280 nan 0.000 0.460 128 E N 2.687 123.012 120.200 0.209 0.000 2.283 128 E HA 0.605 4.960 4.350 0.009 0.000 0.278 128 E C -1.232 175.400 176.600 0.054 0.000 1.027 128 E CA -0.549 55.896 56.400 0.076 0.000 0.843 128 E CB 1.640 31.352 29.700 0.021 0.000 1.062 128 E HN 0.689 nan 8.360 nan 0.000 0.401 129 I N 2.263 122.788 120.570 -0.076 0.000 2.466 129 I HA 0.158 4.334 4.170 0.009 0.000 0.289 129 I C 0.146 176.199 176.117 -0.108 0.000 1.026 129 I CA -1.015 60.195 61.300 -0.150 0.000 1.078 129 I CB 1.893 39.645 38.000 -0.413 0.000 1.249 129 I HN 0.709 nan 8.210 nan 0.000 0.429 130 E N 5.612 125.772 120.200 -0.067 0.000 2.502 130 E HA -0.068 4.287 4.350 0.009 0.000 0.261 130 E C 0.181 176.751 176.600 -0.049 0.000 0.974 130 E CA 0.496 56.869 56.400 -0.045 0.000 0.936 130 E CB 0.168 29.859 29.700 -0.014 0.000 0.926 130 E HN 0.713 nan 8.360 nan 0.000 0.459 131 N N 2.285 120.961 118.700 -0.040 0.000 2.708 131 N HA -0.204 4.541 4.740 0.009 0.000 0.251 131 N C -0.976 174.525 175.510 -0.016 0.000 1.123 131 N CA 0.544 53.578 53.050 -0.026 0.000 0.739 131 N CB -0.377 38.105 38.487 -0.009 0.000 1.113 131 N HN 0.473 nan 8.380 nan 0.000 0.561 132 Q N -0.757 119.020 119.800 -0.037 0.000 2.965 132 Q HA 0.190 4.535 4.340 0.009 0.000 0.288 132 Q C -1.781 174.224 176.000 0.009 0.000 0.974 132 Q CA -1.318 54.491 55.803 0.010 0.000 0.849 132 Q CB 1.133 29.814 28.738 -0.095 0.000 1.280 132 Q HN 0.269 nan 8.270 nan 0.000 0.441 133 P HA -0.146 nan 4.420 nan 0.000 0.220 133 P C 0.608 177.655 177.300 -0.420 0.000 1.148 133 P CA 1.227 64.167 63.100 -0.266 0.000 0.803 133 P CB 0.199 31.662 31.700 -0.394 0.000 0.782 134 Y N -2.071 118.150 120.300 -0.133 0.000 2.511 134 Y HA 0.161 4.715 4.550 0.008 0.000 0.279 134 Y C 1.180 177.189 175.900 0.181 0.000 1.157 134 Y CA -0.319 57.668 58.100 -0.187 0.000 1.300 134 Y CB -0.600 37.719 38.460 -0.234 0.000 1.052 134 Y HN -0.172 nan 8.280 nan 0.000 0.529 135 F N 1.114 121.129 119.950 0.108 0.000 2.468 135 F HA 0.419 4.954 4.527 0.013 0.000 0.356 135 F C 1.164 176.871 175.800 -0.156 0.000 1.167 135 F CA 0.222 58.112 58.000 -0.183 0.000 1.135 135 F CB 0.039 38.690 39.000 -0.582 0.000 1.197 135 F HN 0.223 nan 8.300 nan 0.000 0.569 136 G N 4.092 112.733 108.800 -0.266 0.000 2.148 136 G HA2 -0.370 3.595 3.960 0.009 0.000 0.254 136 G HA3 -0.370 3.595 3.960 0.009 0.000 0.254 136 G C -0.043 174.813 174.900 -0.073 0.000 0.981 136 G CA 0.007 44.981 45.100 -0.210 0.000 0.670 136 G HN 0.817 nan 8.290 nan 0.000 0.528 137 Y N 0.525 120.742 120.300 -0.138 0.000 2.745 137 Y HA 0.333 4.890 4.550 0.010 0.000 0.335 137 Y C 1.085 176.973 175.900 -0.020 0.000 1.212 137 Y CA 0.230 58.202 58.100 -0.213 0.000 1.535 137 Y CB -0.504 37.739 38.460 -0.362 0.000 1.220 137 Y HN 0.644 nan 8.280 nan 0.000 0.531 138 F N 3.616 123.299 119.950 -0.445 0.000 3.034 138 F HA -0.326 4.207 4.527 0.010 0.000 0.286 138 F C 1.104 176.668 175.800 -0.393 0.000 0.804 138 F CA 1.076 58.762 58.000 -0.522 0.000 1.161 138 F CB -0.809 37.895 39.000 -0.493 0.000 1.317 138 F HN 0.634 nan 8.300 nan 0.000 0.453 139 R N 0.061 120.404 120.500 -0.261 0.000 2.334 139 R HA 0.362 4.707 4.340 0.009 0.000 0.212 139 R C 1.728 177.913 176.300 -0.191 0.000 0.897 139 R CA 0.775 56.797 56.100 -0.130 0.000 1.056 139 R CB 0.239 30.485 30.300 -0.091 0.000 1.046 139 R HN 0.457 nan 8.270 nan 0.000 0.513 140 G N 3.165 111.628 108.800 -0.561 0.000 2.182 140 G HA2 -0.323 3.643 3.960 0.009 0.000 0.248 140 G HA3 -0.323 3.643 3.960 0.009 0.000 0.248 140 G C 0.059 174.782 174.900 -0.296 0.000 1.042 140 G CA 0.371 45.276 45.100 -0.325 0.000 0.775 140 G HN 0.460 nan 8.290 nan 0.000 0.501 141 R N -0.678 119.644 120.500 -0.297 0.000 2.638 141 R HA 0.249 4.595 4.340 0.009 0.000 0.268 141 R C -0.124 176.096 176.300 -0.133 0.000 1.006 141 R CA -0.182 55.791 56.100 -0.211 0.000 1.088 141 R CB 0.431 30.643 30.300 -0.146 0.000 0.950 141 R HN 0.272 nan 8.270 nan 0.000 0.419 142 Y N 1.523 121.842 120.300 0.032 0.000 2.511 142 Y HA -0.014 4.541 4.550 0.008 0.000 0.332 142 Y C 1.369 177.286 175.900 0.028 0.000 1.177 142 Y CA 0.190 58.312 58.100 0.038 0.000 1.422 142 Y CB 0.886 39.383 38.460 0.062 0.000 1.271 142 Y HN 0.721 nan 8.280 nan 0.000 0.550 143 T N -1.276 113.377 114.554 0.165 0.000 2.813 143 T HA 0.086 4.441 4.350 0.009 0.000 0.297 143 T C 1.195 175.922 174.700 0.044 0.000 1.036 143 T CA -0.853 61.288 62.100 0.069 0.000 1.044 143 T CB 1.067 69.950 68.868 0.024 0.000 0.993 143 T HN 0.472 nan 8.240 nan 0.000 0.535 144 V N 2.122 122.020 119.914 -0.027 0.000 2.324 144 V HA -0.194 3.932 4.120 0.009 0.000 0.250 144 V C 3.106 179.153 176.094 -0.078 0.000 1.060 144 V CA 2.465 64.715 62.300 -0.083 0.000 1.042 144 V CB -1.684 30.003 31.823 -0.228 0.000 0.650 144 V HN 1.099 nan 8.190 nan 0.000 0.450 145 A N -0.535 122.245 122.820 -0.066 0.000 1.908 145 A HA -0.283 4.042 4.320 0.009 0.000 0.218 145 A C 2.167 179.722 177.584 -0.048 0.000 1.181 145 A CA 2.120 54.125 52.037 -0.052 0.000 0.627 145 A CB -0.487 18.492 19.000 -0.035 0.000 0.818 145 A HN 0.658 nan 8.150 nan 0.000 0.445 146 E N -0.296 119.892 120.200 -0.020 0.000 2.072 146 E HA -0.113 4.242 4.350 0.009 0.000 0.191 146 E C 1.979 178.485 176.600 -0.157 0.000 0.985 146 E CA 1.072 57.457 56.400 -0.025 0.000 0.801 146 E CB -0.270 29.501 29.700 0.117 0.000 0.750 146 E HN 0.622 nan 8.360 nan 0.000 0.452 147 L N 0.848 121.960 121.223 -0.185 0.000 2.046 147 L HA -0.239 4.106 4.340 0.009 0.000 0.208 147 L C 2.557 179.238 176.870 -0.316 0.000 1.077 147 L CA 1.255 55.907 54.840 -0.314 0.000 0.747 147 L CB -0.355 41.593 42.059 -0.186 0.000 0.896 147 L HN 0.172 nan 8.230 nan 0.000 0.432 148 Q N -0.383 119.304 119.800 -0.188 0.000 2.124 148 Q HA -0.277 4.068 4.340 0.009 0.000 0.202 148 Q C 2.110 178.031 176.000 -0.132 0.000 0.977 148 Q CA 1.769 57.477 55.803 -0.157 0.000 0.850 148 Q CB -0.069 28.605 28.738 -0.107 0.000 0.901 148 Q HN 0.483 nan 8.270 nan 0.000 0.429 149 E N 0.640 120.771 120.200 -0.115 0.000 2.072 149 E HA -0.171 4.185 4.350 0.009 0.000 0.191 149 E C 1.862 178.415 176.600 -0.077 0.000 0.985 149 E CA 0.717 57.078 56.400 -0.065 0.000 0.801 149 E CB 0.028 29.699 29.700 -0.049 0.000 0.750 149 E HN 0.322 nan 8.360 nan 0.000 0.452 150 I N 0.958 121.417 120.570 -0.185 0.000 2.202 150 I HA -0.241 3.934 4.170 0.009 0.000 0.242 150 I C 2.663 178.639 176.117 -0.236 0.000 1.091 150 I CA 1.363 62.543 61.300 -0.199 0.000 1.368 150 I CB -0.330 37.475 38.000 -0.324 0.000 1.058 150 I HN 0.260 nan 8.210 nan 0.000 0.410 151 E N 1.118 121.021 120.200 -0.494 0.000 2.085 151 E HA -0.294 4.062 4.350 0.009 0.000 0.194 151 E C 1.630 178.203 176.600 -0.045 0.000 0.994 151 E CA 1.852 58.029 56.400 -0.371 0.000 0.801 151 E CB 0.048 29.549 29.700 -0.332 0.000 0.743 151 E HN 0.388 nan 8.360 nan 0.000 0.453 152 D N -0.586 119.807 120.400 -0.012 0.000 2.144 152 D HA -0.165 4.481 4.640 0.009 0.000 0.199 152 D C 1.541 177.878 176.300 0.063 0.000 0.984 152 D CA 0.853 54.883 54.000 0.051 0.000 0.834 152 D CB -0.333 40.501 40.800 0.056 0.000 0.955 152 D HN 0.308 nan 8.370 nan 0.000 0.465 153 Y N 1.145 121.432 120.300 -0.022 0.000 2.263 153 Y HA -0.056 4.499 4.550 0.009 0.000 0.292 153 Y C 2.247 178.207 175.900 0.099 0.000 1.130 153 Y CA 1.184 59.295 58.100 0.020 0.000 1.179 153 Y CB -0.194 38.279 38.460 0.022 0.000 0.998 153 Y HN -0.057 nan 8.280 nan 0.000 0.532 154 A N 0.154 123.085 122.820 0.186 0.000 1.902 154 A HA -0.151 4.175 4.320 0.009 0.000 0.217 154 A C 2.387 180.040 177.584 0.116 0.000 1.181 154 A CA 1.811 53.956 52.037 0.181 0.000 0.623 154 A CB -1.415 17.727 19.000 0.237 0.000 0.818 154 A HN 0.498 nan 8.150 nan 0.000 0.443 155 A N -0.153 122.702 122.820 0.059 0.000 2.019 155 A HA -0.165 4.161 4.320 0.009 0.000 0.219 155 A C 1.622 179.152 177.584 -0.090 0.000 1.164 155 A CA 1.811 53.854 52.037 0.010 0.000 0.644 155 A CB -0.557 18.444 19.000 0.002 0.000 0.805 155 A HN 0.462 nan 8.150 nan 0.000 0.449 156 D N -0.877 119.387 120.400 -0.226 0.000 2.218 156 D HA -0.088 4.557 4.640 0.009 0.000 0.204 156 D C 0.652 176.563 176.300 -0.649 0.000 0.976 156 D CA 1.045 54.751 54.000 -0.491 0.000 0.853 156 D CB -0.266 40.068 40.800 -0.778 0.000 0.939 156 D HN 0.577 nan 8.370 nan 0.000 0.481 157 F N 0.543 120.356 119.950 -0.229 0.000 2.639 157 F HA 0.125 4.658 4.527 0.009 0.000 0.300 157 F C 0.334 176.180 175.800 0.076 0.000 1.109 157 F CA -0.305 57.584 58.000 -0.184 0.000 1.335 157 F CB 0.225 39.024 39.000 -0.334 0.000 1.014 157 F HN -0.277 nan 8.300 nan 0.000 0.537 158 D N 0.828 121.308 120.400 0.134 0.000 2.772 158 D HA -0.218 4.428 4.640 0.009 0.000 0.233 158 D C 0.098 176.501 176.300 0.173 0.000 1.143 158 D CA 0.815 54.895 54.000 0.133 0.000 0.700 158 D CB -1.045 39.825 40.800 0.116 0.000 1.076 158 D HN 0.323 nan 8.370 nan 0.000 0.430 159 M N 0.055 119.752 119.600 0.160 0.000 2.423 159 M HA 0.236 4.722 4.480 0.009 0.000 0.335 159 M C 0.723 177.104 176.300 0.134 0.000 1.177 159 M CA -0.353 55.020 55.300 0.122 0.000 1.038 159 M CB 1.857 34.541 32.600 0.140 0.000 1.641 159 M HN -0.241 nan 8.290 nan 0.000 0.455 160 S N 1.280 117.051 115.700 0.118 0.000 2.652 160 S HA 0.575 5.051 4.470 0.009 0.000 0.270 160 S C -0.995 173.749 174.600 0.239 0.000 1.243 160 S CA -0.600 57.687 58.200 0.144 0.000 0.999 160 S CB 0.938 64.187 63.200 0.081 0.000 0.973 160 S HN 0.493 nan 8.310 nan 0.000 0.544 161 F N 1.384 121.372 119.950 0.063 0.000 2.518 161 F HA 0.619 5.151 4.527 0.008 0.000 0.323 161 F C -1.248 174.549 175.800 -0.005 0.000 1.129 161 F CA -0.884 57.143 58.000 0.045 0.000 0.920 161 F CB 1.145 40.179 39.000 0.057 0.000 1.160 161 F HN 0.260 nan 8.300 nan 0.000 0.440 162 V N 7.828 127.290 119.914 -0.753 0.000 2.419 162 V HA 0.382 4.508 4.120 0.009 0.000 0.287 162 V C -2.311 173.275 176.094 -0.847 0.000 1.017 162 V CA -1.712 60.234 62.300 -0.590 0.000 0.844 162 V CB 1.510 33.140 31.823 -0.322 0.000 1.011 162 V HN 0.594 nan 8.190 nan 0.000 0.429 163 P HA 0.211 nan 4.420 nan 0.000 0.276 163 P C -0.624 176.444 177.300 -0.387 0.000 1.230 163 P CA -0.258 62.495 63.100 -0.578 0.000 0.776 163 P CB 0.741 32.195 31.700 -0.411 0.000 0.888 164 C N 5.208 124.334 119.300 -0.289 0.000 2.271 164 C HA 0.592 5.057 4.460 0.009 0.000 0.323 164 C C 1.066 176.012 174.990 -0.074 0.000 1.245 164 C CA -0.286 58.654 59.018 -0.131 0.000 1.548 164 C CB -1.506 26.251 27.740 0.029 0.000 2.214 164 C HN 0.524 nan 8.230 nan 0.000 0.477 165 I N 0.834 121.346 120.570 -0.098 0.000 3.436 165 I HA 0.694 4.869 4.170 0.009 0.000 0.296 165 I C -0.899 175.242 176.117 0.040 0.000 1.143 165 I CA -0.648 60.611 61.300 -0.069 0.000 1.009 165 I CB 1.233 39.150 38.000 -0.137 0.000 1.301 165 I HN 0.259 nan 8.210 nan 0.000 0.503 166 Q N 1.328 121.176 119.800 0.081 0.000 2.321 166 Q HA 0.323 4.669 4.340 0.009 0.000 0.270 166 Q C -0.358 175.733 176.000 0.152 0.000 1.032 166 Q CA -0.296 55.594 55.803 0.146 0.000 0.784 166 Q CB 2.126 30.962 28.738 0.162 0.000 1.264 166 Q HN 0.912 nan 8.270 nan 0.000 0.448 167 T N -1.253 113.403 114.554 0.171 0.000 3.132 167 T HA 0.252 4.607 4.350 0.009 0.000 0.274 167 T C 0.726 175.609 174.700 0.305 0.000 1.011 167 T CA -0.011 62.217 62.100 0.213 0.000 0.899 167 T CB 0.301 69.286 68.868 0.195 0.000 1.089 167 T HN 0.321 nan 8.240 nan 0.000 0.543 168 L N 0.147 121.498 121.223 0.214 0.000 3.099 168 L HA 0.898 5.244 4.340 0.009 0.000 0.165 168 L C 0.409 177.314 176.870 0.059 0.000 1.151 168 L CA 0.637 55.548 54.840 0.117 0.000 0.878 168 L CB 0.130 42.245 42.059 0.093 0.000 1.615 168 L HN 0.261 nan 8.230 nan 0.000 0.545 169 A N -2.340 120.525 122.820 0.076 0.000 2.578 169 A HA 0.595 4.921 4.320 0.009 0.000 0.255 169 A C -0.527 177.139 177.584 0.137 0.000 1.251 169 A CA 0.162 52.218 52.037 0.032 0.000 0.882 169 A CB 0.142 19.093 19.000 -0.083 0.000 1.416 169 A HN 0.477 nan 8.150 nan 0.000 0.462 170 H N -1.822 117.250 119.070 0.004 0.000 2.770 170 H HA -0.120 4.441 4.556 0.009 0.000 0.309 170 H C -0.512 174.831 175.328 0.026 0.000 1.206 170 H CA 1.116 57.173 56.048 0.015 0.000 1.147 170 H CB -1.354 28.444 29.762 0.060 0.000 1.422 170 H HN 0.423 nan 8.280 nan 0.000 0.420 171 L N 0.471 121.758 121.223 0.107 0.000 3.218 171 L HA 0.063 4.409 4.340 0.009 0.000 0.279 171 L C 1.902 178.823 176.870 0.084 0.000 1.287 171 L CA 0.608 55.513 54.840 0.109 0.000 1.024 171 L CB 0.494 42.665 42.059 0.186 0.000 1.409 171 L HN 0.227 nan 8.230 nan 0.000 0.580 172 S N 0.182 115.900 115.700 0.032 0.000 2.387 172 S HA -0.245 4.231 4.470 0.009 0.000 0.230 172 S C 1.970 176.562 174.600 -0.013 0.000 1.035 172 S CA 1.282 59.475 58.200 -0.012 0.000 1.014 172 S CB -0.094 63.081 63.200 -0.041 0.000 0.836 172 S HN 0.434 nan 8.310 nan 0.000 0.466 173 A N -0.157 122.674 122.820 0.017 0.000 2.119 173 A HA 0.289 4.614 4.320 0.009 0.000 0.216 173 A C 1.755 179.447 177.584 0.180 0.000 1.152 173 A CA 0.730 52.788 52.037 0.035 0.000 0.708 173 A CB -0.688 18.325 19.000 0.021 0.000 0.805 173 A HN 0.603 nan 8.150 nan 0.000 0.460 174 F N 0.728 120.682 119.950 0.006 0.000 2.188 174 F HA -0.012 4.520 4.527 0.008 0.000 0.289 174 F C 2.075 177.986 175.800 0.186 0.000 1.082 174 F CA 1.555 59.631 58.000 0.126 0.000 1.282 174 F CB -0.370 38.632 39.000 0.005 0.000 1.060 174 F HN 0.073 nan 8.300 nan 0.000 0.493 175 V N 0.424 120.294 119.914 -0.073 0.000 3.305 175 V HA -0.122 4.004 4.120 0.009 0.000 0.269 175 V C 1.877 177.850 176.094 -0.201 0.000 1.157 175 V CA 1.557 63.719 62.300 -0.230 0.000 1.157 175 V CB -1.683 30.076 31.823 -0.108 0.000 0.772 175 V HN 0.512 nan 8.190 nan 0.000 0.498 176 K N -0.853 119.412 120.400 -0.224 0.000 2.365 176 K HA -0.057 4.269 4.320 0.009 0.000 0.199 176 K C 0.385 176.736 176.600 -0.414 0.000 1.045 176 K CA 0.152 56.237 56.287 -0.337 0.000 0.962 176 K CB -0.264 31.974 32.500 -0.436 0.000 0.759 176 K HN 0.581 nan 8.250 nan 0.000 0.469 177 W N 2.033 123.238 121.300 -0.158 0.000 2.419 177 W HA 0.247 4.912 4.660 0.010 0.000 0.312 177 W C 0.817 177.175 176.519 -0.268 0.000 1.323 177 W CA -0.743 56.487 57.345 -0.192 0.000 1.293 177 W CB 1.013 30.329 29.460 -0.240 0.000 1.324 177 W HN 0.140 nan 8.180 nan 0.000 0.512 178 G N 5.697 114.514 108.800 0.027 0.000 3.316 178 G HA2 0.312 4.277 3.960 0.009 0.000 0.255 178 G HA3 0.312 4.277 3.960 0.009 0.000 0.255 178 G C -0.318 174.538 174.900 -0.073 0.000 0.880 178 G CA -0.260 44.816 45.100 -0.040 0.000 1.956 178 G HN 0.321 nan 8.290 nan 0.000 0.634 179 I N 0.739 121.218 120.570 -0.153 0.000 2.533 179 I HA 0.252 4.428 4.170 0.009 0.000 0.290 179 I C 0.916 176.947 176.117 -0.143 0.000 1.056 179 I CA -0.895 60.284 61.300 -0.202 0.000 1.057 179 I CB 2.131 39.846 38.000 -0.476 0.000 1.240 179 I HN 0.156 nan 8.210 nan 0.000 0.423 180 K N 3.867 124.214 120.400 -0.089 0.000 2.074 180 K HA -0.197 4.129 4.320 0.009 0.000 0.209 180 K C 1.083 177.650 176.600 -0.055 0.000 1.048 180 K CA 2.043 58.294 56.287 -0.059 0.000 0.926 180 K CB 0.386 32.865 32.500 -0.034 0.000 0.713 180 K HN 0.528 nan 8.250 nan 0.000 0.444 181 E N -0.060 120.110 120.200 -0.051 0.000 2.338 181 E HA -0.084 4.271 4.350 0.009 0.000 0.197 181 E C 1.797 178.380 176.600 -0.028 0.000 1.007 181 E CA 0.585 56.974 56.400 -0.018 0.000 0.849 181 E CB 0.145 29.853 29.700 0.014 0.000 0.774 181 E HN 0.100 nan 8.360 nan 0.000 0.506 182 V N 0.186 120.033 119.914 -0.113 0.000 2.492 182 V HA -0.115 4.010 4.120 0.009 0.000 0.241 182 V C 1.968 177.954 176.094 -0.179 0.000 1.041 182 V CA 0.824 62.995 62.300 -0.216 0.000 1.057 182 V CB -0.275 31.315 31.823 -0.388 0.000 0.711 182 V HN 0.154 nan 8.190 nan 0.000 0.468 183 Q N 0.970 120.688 119.800 -0.138 0.000 2.226 183 Q HA -0.221 4.125 4.340 0.009 0.000 0.204 183 Q C 2.158 178.121 176.000 -0.061 0.000 0.975 183 Q CA 1.743 57.486 55.803 -0.100 0.000 0.866 183 Q CB -0.369 28.319 28.738 -0.083 0.000 0.915 183 Q HN 0.926 nan 8.270 nan 0.000 0.440 184 E N 0.166 120.339 120.200 -0.044 0.000 2.418 184 E HA -0.102 4.254 4.350 0.009 0.000 0.197 184 E C 1.422 178.020 176.600 -0.004 0.000 1.026 184 E CA 0.345 56.734 56.400 -0.018 0.000 0.862 184 E CB -0.212 29.482 29.700 -0.009 0.000 0.799 184 E HN 0.314 nan 8.360 nan 0.000 0.518 185 L N 0.619 121.837 121.223 -0.008 0.000 2.591 185 L HA 0.186 4.532 4.340 0.009 0.000 0.228 185 L C 0.960 177.836 176.870 0.009 0.000 1.133 185 L CA -0.054 54.796 54.840 0.016 0.000 0.880 185 L CB -0.117 41.981 42.059 0.065 0.000 1.033 185 L HN -0.023 nan 8.230 nan 0.000 0.450 186 R N 0.023 120.518 120.500 -0.007 0.000 2.428 186 R HA 0.142 4.487 4.340 0.009 0.000 0.294 186 R C 0.252 176.560 176.300 0.013 0.000 1.000 186 R CA -0.484 55.611 56.100 -0.008 0.000 0.960 186 R CB 1.752 32.032 30.300 -0.033 0.000 1.076 186 R HN -0.140 nan 8.270 nan 0.000 0.475 187 D N 0.940 121.350 120.400 0.016 0.000 2.584 187 D HA 0.084 4.730 4.640 0.009 0.000 0.254 187 D C -0.340 175.977 176.300 0.027 0.000 1.085 187 D CA 0.715 54.741 54.000 0.044 0.000 0.971 187 D CB 0.630 41.451 40.800 0.035 0.000 1.103 187 D HN 0.136 nan 8.370 nan 0.000 0.453 188 V N -0.464 119.453 119.914 0.005 0.000 3.177 188 V HA 0.233 4.358 4.120 0.009 0.000 0.287 188 V C -0.486 175.597 176.094 -0.020 0.000 1.465 188 V CA -0.254 62.045 62.300 -0.002 0.000 1.020 188 V CB 1.637 33.468 31.823 0.013 0.000 1.152 188 V HN 0.445 nan 8.190 nan 0.000 0.448 189 E N 1.909 122.096 120.200 -0.023 0.000 3.357 189 E HA -0.300 4.056 4.350 0.009 0.000 0.416 189 E C -0.118 176.454 176.600 -0.047 0.000 1.565 189 E CA 2.050 58.429 56.400 -0.035 0.000 1.422 189 E CB -0.611 29.069 29.700 -0.033 0.000 1.536 189 E HN 1.098 nan 8.360 nan 0.000 0.459 190 D N 1.268 121.630 120.400 -0.063 0.000 2.388 190 D HA 0.175 4.821 4.640 0.009 0.000 0.221 190 D C 0.342 176.618 176.300 -0.041 0.000 1.133 190 D CA 0.174 54.138 54.000 -0.060 0.000 0.831 190 D CB -0.323 40.416 40.800 -0.102 0.000 0.962 190 D HN 0.234 nan 8.370 nan 0.000 0.502 191 I N 0.834 121.379 120.570 -0.041 0.000 2.377 191 I HA 0.262 4.438 4.170 0.009 0.000 0.293 191 I C 0.511 176.613 176.117 -0.024 0.000 0.987 191 I CA -1.077 60.197 61.300 -0.043 0.000 1.185 191 I CB 1.994 39.952 38.000 -0.071 0.000 1.341 191 I HN -0.265 nan 8.210 nan 0.000 0.455 192 L N 5.100 126.310 121.223 -0.021 0.000 2.453 192 L HA 0.217 4.563 4.340 0.009 0.000 0.261 192 L C -0.109 176.717 176.870 -0.074 0.000 1.179 192 L CA -0.656 54.173 54.840 -0.019 0.000 0.813 192 L CB 0.601 42.663 42.059 0.006 0.000 1.110 192 L HN 0.419 nan 8.230 nan 0.000 0.466 193 L N 3.054 124.254 121.223 -0.039 0.000 2.295 193 L HA 0.321 4.667 4.340 0.009 0.000 0.288 193 L C 0.046 176.909 176.870 -0.012 0.000 1.079 193 L CA 0.294 55.145 54.840 0.020 0.000 0.830 193 L CB -0.057 42.043 42.059 0.068 0.000 1.200 193 L HN 0.262 nan 8.230 nan 0.000 0.438 194 I N 5.616 126.160 120.570 -0.043 0.000 2.752 194 I HA 0.137 4.313 4.170 0.009 0.000 0.287 194 I C 1.526 177.823 176.117 0.301 0.000 1.188 194 I CA 1.191 62.496 61.300 0.008 0.000 1.427 194 I CB 0.330 38.217 38.000 -0.189 0.000 1.365 194 I HN 0.899 nan 8.210 nan 0.000 0.585 195 G N 4.150 113.214 108.800 0.440 0.000 2.225 195 G HA2 -0.286 3.679 3.960 0.009 0.000 0.254 195 G HA3 -0.286 3.679 3.960 0.009 0.000 0.254 195 G C 0.184 175.311 174.900 0.378 0.000 0.988 195 G CA 0.188 45.555 45.100 0.445 0.000 0.625 195 G HN 0.674 nan 8.290 nan 0.000 0.527 196 E N 1.301 121.641 120.200 0.234 0.000 2.194 196 E HA 0.519 4.875 4.350 0.009 0.000 0.284 196 E C 1.454 178.140 176.600 0.143 0.000 1.035 196 E CA -0.370 56.116 56.400 0.143 0.000 0.836 196 E CB 0.572 30.310 29.700 0.064 0.000 1.070 196 E HN 0.179 nan 8.360 nan 0.000 0.401 197 E N 3.989 124.312 120.200 0.204 0.000 2.118 197 E HA -0.205 4.150 4.350 0.009 0.000 0.195 197 E C 0.941 177.630 176.600 0.149 0.000 0.992 197 E CA 1.226 57.767 56.400 0.235 0.000 0.804 197 E CB 0.039 29.839 29.700 0.167 0.000 0.741 197 E HN 0.550 nan 8.360 nan 0.000 0.458 198 K N 0.246 120.695 120.400 0.083 0.000 2.283 198 K HA -0.035 4.291 4.320 0.009 0.000 0.202 198 K C 2.130 178.745 176.600 0.025 0.000 1.048 198 K CA 0.528 56.849 56.287 0.058 0.000 0.948 198 K CB 0.102 32.632 32.500 0.050 0.000 0.742 198 K HN -0.057 nan 8.250 nan 0.000 0.458 199 V N 0.424 120.303 119.914 -0.057 0.000 2.379 199 V HA -0.220 3.905 4.120 0.009 0.000 0.245 199 V C 1.663 177.636 176.094 -0.201 0.000 1.044 199 V CA 1.559 63.764 62.300 -0.157 0.000 1.036 199 V CB -0.466 31.178 31.823 -0.297 0.000 0.664 199 V HN 0.217 nan 8.190 nan 0.000 0.453 200 Y N 0.458 120.833 120.300 0.124 0.000 2.352 200 Y HA -0.136 4.418 4.550 0.006 0.000 0.292 200 Y C 2.367 178.314 175.900 0.077 0.000 1.136 200 Y CA 0.915 59.074 58.100 0.098 0.000 1.227 200 Y CB -0.715 37.795 38.460 0.084 0.000 0.991 200 Y HN 0.318 nan 8.280 nan 0.000 0.545 201 D N -0.111 120.383 120.400 0.157 0.000 2.117 201 D HA -0.159 4.487 4.640 0.009 0.000 0.197 201 D C 2.212 178.547 176.300 0.058 0.000 0.987 201 D CA 0.996 55.058 54.000 0.104 0.000 0.829 201 D CB -0.504 40.343 40.800 0.079 0.000 0.961 201 D HN 0.274 nan 8.370 nan 0.000 0.460 202 L N 0.708 121.950 121.223 0.031 0.000 2.027 202 L HA -0.070 4.275 4.340 0.009 0.000 0.206 202 L C 2.094 178.938 176.870 -0.043 0.000 1.074 202 L CA 1.369 56.187 54.840 -0.037 0.000 0.745 202 L CB -0.449 41.601 42.059 -0.016 0.000 0.898 202 L HN -0.015 nan 8.230 nan 0.000 0.433 203 I N -0.439 120.162 120.570 0.052 0.000 2.286 203 I HA -0.274 3.901 4.170 0.009 0.000 0.248 203 I C 2.501 178.737 176.117 0.198 0.000 1.115 203 I CA 1.591 62.970 61.300 0.131 0.000 1.392 203 I CB -0.380 37.754 38.000 0.223 0.000 1.065 203 I HN 0.438 nan 8.210 nan 0.000 0.418 204 E N 1.285 121.584 120.200 0.165 0.000 2.110 204 E HA -0.174 4.181 4.350 0.009 0.000 0.193 204 E C 2.289 178.906 176.600 0.028 0.000 0.988 204 E CA 1.312 57.799 56.400 0.146 0.000 0.804 204 E CB -0.219 29.578 29.700 0.161 0.000 0.745 204 E HN 0.465 nan 8.360 nan 0.000 0.458 205 G N 0.865 109.658 108.800 -0.011 0.000 2.442 205 G HA2 -0.295 3.671 3.960 0.009 0.000 0.219 205 G HA3 -0.295 3.671 3.960 0.009 0.000 0.219 205 G C 1.542 176.368 174.900 -0.124 0.000 1.141 205 G CA 1.137 46.188 45.100 -0.082 0.000 0.763 205 G HN 0.229 nan 8.290 nan 0.000 0.554 206 M N -0.560 118.958 119.600 -0.136 0.000 2.108 206 M HA 0.043 4.528 4.480 0.009 0.000 0.261 206 M C 2.320 178.400 176.300 -0.366 0.000 1.066 206 M CA 1.293 56.490 55.300 -0.170 0.000 1.107 206 M CB -0.399 32.087 32.600 -0.189 0.000 1.356 206 M HN 0.215 nan 8.290 nan 0.000 0.406 207 F N 0.504 120.251 119.950 -0.339 0.000 2.206 207 F HA -0.138 4.395 4.527 0.009 0.000 0.298 207 F C 2.634 178.079 175.800 -0.591 0.000 1.090 207 F CA 1.230 58.913 58.000 -0.528 0.000 1.323 207 F CB -0.439 38.235 39.000 -0.544 0.000 1.028 207 F HN 0.166 nan 8.300 nan 0.000 0.492 208 Q N -0.502 119.049 119.800 -0.414 0.000 2.124 208 Q HA -0.170 4.175 4.340 0.009 0.000 0.202 208 Q C 2.120 178.087 176.000 -0.054 0.000 0.977 208 Q CA 2.017 57.632 55.803 -0.314 0.000 0.850 208 Q CB -0.517 28.129 28.738 -0.153 0.000 0.901 208 Q HN 0.345 nan 8.270 nan 0.000 0.429 209 T N 0.771 115.310 114.554 -0.025 0.000 2.674 209 T HA -0.103 4.253 4.350 0.009 0.000 0.265 209 T C 1.726 176.469 174.700 0.072 0.000 1.039 209 T CA 1.034 63.188 62.100 0.091 0.000 1.150 209 T CB -0.027 68.864 68.868 0.038 0.000 0.864 209 T HN 0.171 nan 8.240 nan 0.000 0.427 210 M N 1.048 120.577 119.600 -0.118 0.000 2.394 210 M HA 0.197 4.683 4.480 0.009 0.000 0.264 210 M C 2.612 179.044 176.300 0.220 0.000 1.073 210 M CA 0.522 55.782 55.300 -0.067 0.000 1.111 210 M CB -1.400 30.986 32.600 -0.358 0.000 1.401 210 M HN 0.270 nan 8.290 nan 0.000 0.448 211 A N -0.743 122.200 122.820 0.205 0.000 2.121 211 A HA -0.153 4.173 4.320 0.009 0.000 0.218 211 A C 1.769 179.373 177.584 0.034 0.000 1.154 211 A CA 1.039 53.224 52.037 0.246 0.000 0.679 211 A CB -1.049 18.078 19.000 0.212 0.000 0.795 211 A HN 0.503 nan 8.150 nan 0.000 0.458 212 H N -0.508 118.588 119.070 0.043 0.000 2.545 212 H HA 0.092 4.653 4.556 0.009 0.000 0.282 212 H C 0.482 175.757 175.328 -0.088 0.000 1.020 212 H CA 0.525 56.561 56.048 -0.020 0.000 1.243 212 H CB -0.122 29.620 29.762 -0.032 0.000 1.377 212 H HN 0.381 nan 8.280 nan 0.000 0.581 213 L N -0.121 121.135 121.223 0.055 0.000 2.468 213 L HA 0.085 4.430 4.340 0.009 0.000 0.254 213 L C 1.621 178.439 176.870 -0.087 0.000 1.171 213 L CA -0.319 54.498 54.840 -0.038 0.000 0.809 213 L CB 0.812 42.933 42.059 0.103 0.000 1.155 213 L HN 0.128 nan 8.230 nan 0.000 0.473 214 H N -1.071 118.029 119.070 0.050 0.000 2.372 214 H HA -0.063 4.498 4.556 0.009 0.000 0.301 214 H C 0.906 176.227 175.328 -0.012 0.000 1.065 214 H CA 0.717 56.773 56.048 0.014 0.000 1.364 214 H CB 0.156 29.928 29.762 0.016 0.000 1.406 214 H HN 0.565 nan 8.280 nan 0.000 0.521 215 T N 1.020 115.668 114.554 0.157 0.000 2.946 215 T HA -0.030 4.325 4.350 0.009 0.000 0.311 215 T C 0.821 175.457 174.700 -0.106 0.000 1.063 215 T CA -0.053 62.100 62.100 0.088 0.000 1.139 215 T CB 0.346 69.323 68.868 0.182 0.000 0.994 215 T HN 0.241 nan 8.240 nan 0.000 0.547 216 R N 3.311 123.695 120.500 -0.194 0.000 2.727 216 R HA 0.269 4.615 4.340 0.009 0.000 0.410 216 R C -0.257 175.988 176.300 -0.092 0.000 1.101 216 R CA -0.232 55.548 56.100 -0.534 0.000 1.045 216 R CB 0.305 30.308 30.300 -0.494 0.000 1.380 216 R HN 0.563 nan 8.270 nan 0.000 0.587 217 K N 0.938 121.400 120.400 0.104 0.000 2.378 217 K HA 0.561 4.886 4.320 0.009 0.000 0.252 217 K C -1.287 175.412 176.600 0.165 0.000 0.931 217 K CA -0.593 55.779 56.287 0.143 0.000 0.794 217 K CB 1.838 34.362 32.500 0.041 0.000 1.181 217 K HN 0.090 nan 8.250 nan 0.000 0.425 218 I N 2.366 123.001 120.570 0.108 0.000 2.842 218 I HA 0.268 4.444 4.170 0.009 0.000 0.297 218 I C -1.903 174.146 176.117 -0.112 0.000 1.380 218 I CA -0.790 60.486 61.300 -0.041 0.000 1.018 218 I CB 2.136 40.077 38.000 -0.098 0.000 1.311 218 I HN 0.649 nan 8.210 nan 0.000 0.439 219 N N 7.161 125.734 118.700 -0.211 0.000 2.437 219 N HA 0.348 5.094 4.740 0.009 0.000 0.259 219 N C 0.420 175.799 175.510 -0.219 0.000 0.983 219 N CA -0.525 52.358 53.050 -0.277 0.000 0.937 219 N CB 1.290 39.522 38.487 -0.425 0.000 1.122 219 N HN 0.708 nan 8.380 nan 0.000 0.499 220 I N 0.790 121.269 120.570 -0.151 0.000 3.684 220 I HA 0.341 4.516 4.170 0.009 0.000 0.304 220 I C 1.057 177.178 176.117 0.007 0.000 1.278 220 I CA -0.010 61.256 61.300 -0.056 0.000 1.272 220 I CB -0.389 37.635 38.000 0.041 0.000 1.029 220 I HN 0.579 nan 8.210 nan 0.000 0.458 221 G N 2.467 111.230 108.800 -0.062 0.000 2.554 221 G HA2 -0.323 3.642 3.960 0.009 0.000 0.253 221 G HA3 -0.323 3.642 3.960 0.009 0.000 0.253 221 G C 0.356 175.412 174.900 0.260 0.000 1.172 221 G CA 0.216 45.413 45.100 0.163 0.000 0.950 221 G HN 0.406 nan 8.290 nan 0.000 0.557 222 M N 0.528 120.308 119.600 0.300 0.000 2.965 222 M HA -0.118 4.367 4.480 0.009 0.000 0.213 222 M C 0.052 176.489 176.300 0.228 0.000 0.564 222 M CA 1.284 56.717 55.300 0.221 0.000 0.784 222 M CB -2.162 30.538 32.600 0.167 0.000 2.816 222 M HN 0.994 nan 8.290 nan 0.000 0.409 223 D N 1.199 121.796 120.400 0.328 0.000 2.312 223 D HA 0.316 4.962 4.640 0.009 0.000 0.248 223 D C 0.320 176.649 176.300 0.048 0.000 1.086 223 D CA 0.031 54.149 54.000 0.198 0.000 0.948 223 D CB 0.640 41.415 40.800 -0.041 0.000 1.162 223 D HN 0.368 nan 8.370 nan 0.000 0.446 224 E N -0.937 119.219 120.200 -0.075 0.000 2.269 224 E HA -0.186 4.170 4.350 0.009 0.000 0.223 224 E C -0.695 175.553 176.600 -0.586 0.000 1.244 224 E CA 0.606 56.740 56.400 -0.443 0.000 0.713 224 E CB -1.473 28.077 29.700 -0.251 0.000 1.178 224 E HN 0.570 nan 8.360 nan 0.000 0.370 225 A N 0.234 122.816 122.820 -0.396 0.000 3.245 225 A HA 0.312 4.637 4.320 0.009 0.000 0.282 225 A C 0.475 177.928 177.584 -0.218 0.000 1.417 225 A CA -0.321 51.550 52.037 -0.278 0.000 1.149 225 A CB -0.246 18.657 19.000 -0.162 0.000 1.155 225 A HN 0.430 nan 8.150 nan 0.000 0.602 226 H N 0.476 119.507 119.070 -0.064 0.000 2.387 226 H HA -0.017 4.545 4.556 0.010 0.000 0.299 226 H C 0.923 176.229 175.328 -0.037 0.000 1.090 226 H CA 1.536 57.556 56.048 -0.045 0.000 1.332 226 H CB 0.096 29.836 29.762 -0.037 0.000 1.386 226 H HN 0.535 nan 8.280 nan 0.000 0.516 227 L N 1.107 122.367 121.223 0.061 0.000 2.791 227 L HA 0.142 4.487 4.340 0.009 0.000 0.239 227 L C 0.154 177.021 176.870 -0.005 0.000 1.203 227 L CA -0.494 54.368 54.840 0.037 0.000 1.002 227 L CB 0.646 42.727 42.059 0.037 0.000 1.295 227 L HN 0.081 nan 8.230 nan 0.000 0.504 228 V N 1.443 121.326 119.914 -0.051 0.000 2.720 228 V HA 0.138 4.264 4.120 0.009 0.000 0.307 228 V C 1.445 177.464 176.094 -0.125 0.000 1.071 228 V CA 1.512 63.746 62.300 -0.111 0.000 1.199 228 V CB 0.631 32.357 31.823 -0.162 0.000 0.900 228 V HN 0.745 nan 8.190 nan 0.000 0.494 229 G N 4.398 113.100 108.800 -0.163 0.000 2.179 229 G HA2 -0.249 3.717 3.960 0.009 0.000 0.260 229 G HA3 -0.249 3.717 3.960 0.009 0.000 0.260 229 G C 0.390 175.350 174.900 0.101 0.000 0.977 229 G CA 0.500 45.499 45.100 -0.169 0.000 0.641 229 G HN 0.884 nan 8.290 nan 0.000 0.533 230 L N 0.061 121.346 121.223 0.102 0.000 2.766 230 L HA 0.441 4.787 4.340 0.009 0.000 0.242 230 L C 2.064 179.010 176.870 0.126 0.000 1.136 230 L CA 0.506 55.434 54.840 0.146 0.000 0.933 230 L CB 0.228 42.361 42.059 0.123 0.000 1.241 230 L HN 0.312 nan 8.230 nan 0.000 0.522 231 G N -0.141 108.730 108.800 0.119 0.000 3.387 231 G HA2 0.096 4.061 3.960 0.009 0.000 0.195 231 G HA3 0.096 4.061 3.960 0.009 0.000 0.195 231 G C 1.028 175.987 174.900 0.098 0.000 1.853 231 G CA -0.232 44.921 45.100 0.088 0.000 0.879 231 G HN -0.043 nan 8.290 nan 0.000 0.651 232 R N -1.200 119.350 120.500 0.083 0.000 2.120 232 R HA -0.068 4.278 4.340 0.009 0.000 0.234 232 R C 2.224 178.578 176.300 0.090 0.000 1.123 232 R CA 1.171 57.308 56.100 0.061 0.000 0.975 232 R CB -0.469 29.854 30.300 0.039 0.000 0.866 232 R HN 0.508 nan 8.270 nan 0.000 0.446 233 Y N 1.148 121.493 120.300 0.074 0.000 2.128 233 Y HA -0.279 4.276 4.550 0.008 0.000 0.284 233 Y C 2.106 178.109 175.900 0.171 0.000 1.154 233 Y CA 1.622 59.820 58.100 0.162 0.000 1.149 233 Y CB -0.206 38.314 38.460 0.100 0.000 0.976 233 Y HN 0.014 nan 8.280 nan 0.000 0.505 234 L N 0.258 121.639 121.223 0.264 0.000 2.046 234 L HA -0.199 4.146 4.340 0.009 0.000 0.208 234 L C 2.123 179.039 176.870 0.078 0.000 1.077 234 L CA 1.744 56.706 54.840 0.204 0.000 0.747 234 L CB -0.723 41.459 42.059 0.205 0.000 0.896 234 L HN 0.343 nan 8.230 nan 0.000 0.432 235 I N -0.720 119.868 120.570 0.030 0.000 2.226 235 I HA -0.317 3.858 4.170 0.009 0.000 0.245 235 I C 2.342 178.397 176.117 -0.103 0.000 1.100 235 I CA 1.470 62.756 61.300 -0.022 0.000 1.374 235 I CB -0.379 37.608 38.000 -0.022 0.000 1.057 235 I HN 0.249 nan 8.210 nan 0.000 0.413 236 K N -0.593 119.681 120.400 -0.210 0.000 2.116 236 K HA -0.046 4.280 4.320 0.009 0.000 0.203 236 K C 1.633 177.883 176.600 -0.583 0.000 1.052 236 K CA 0.936 56.956 56.287 -0.446 0.000 0.952 236 K CB 0.071 32.178 32.500 -0.656 0.000 0.729 236 K HN 0.421 nan 8.250 nan 0.000 0.446 237 H N -1.193 117.721 119.070 -0.260 0.000 3.170 237 H HA 0.203 4.764 4.556 0.008 0.000 0.264 237 H C 0.856 176.152 175.328 -0.053 0.000 1.113 237 H CA 0.617 56.529 56.048 -0.227 0.000 1.194 237 H CB 1.190 30.636 29.762 -0.528 0.000 1.553 237 H HN 0.305 nan 8.280 nan 0.000 0.538 238 G N 1.601 110.459 108.800 0.098 0.000 2.782 238 G HA2 -0.276 3.690 3.960 0.009 0.000 0.228 238 G HA3 -0.276 3.690 3.960 0.009 0.000 0.228 238 G C -0.763 174.284 174.900 0.245 0.000 1.372 238 G CA -0.318 44.876 45.100 0.157 0.000 0.862 238 G HN 0.258 nan 8.290 nan 0.000 0.547 239 F N 2.142 122.159 119.950 0.111 0.000 2.413 239 F HA 0.599 5.132 4.527 0.010 0.000 0.359 239 F C 0.636 176.506 175.800 0.117 0.000 1.122 239 F CA -0.367 57.702 58.000 0.114 0.000 1.160 239 F CB 0.729 39.773 39.000 0.074 0.000 1.146 239 F HN 0.511 nan 8.300 nan 0.000 0.514 240 Q N 3.555 123.100 119.800 -0.424 0.000 2.306 240 Q HA 0.202 4.547 4.340 0.009 0.000 0.269 240 Q C -0.673 175.023 176.000 -0.507 0.000 1.053 240 Q CA -1.103 54.530 55.803 -0.283 0.000 0.879 240 Q CB 1.249 29.963 28.738 -0.040 0.000 1.344 240 Q HN 0.582 nan 8.270 nan 0.000 0.464 241 N N 1.187 119.742 118.700 -0.243 0.000 2.406 241 N HA -0.004 4.742 4.740 0.009 0.000 0.265 241 N C 0.444 175.844 175.510 -0.182 0.000 1.203 241 N CA 0.416 53.359 53.050 -0.179 0.000 0.945 241 N CB 0.432 38.889 38.487 -0.050 0.000 1.165 241 N HN 0.427 nan 8.380 nan 0.000 0.485 242 R N 1.764 122.135 120.500 -0.215 0.000 2.148 242 R HA -0.010 4.335 4.340 0.009 0.000 0.223 242 R C 1.884 178.115 176.300 -0.114 0.000 1.088 242 R CA 0.843 56.828 56.100 -0.191 0.000 0.985 242 R CB 0.030 30.224 30.300 -0.176 0.000 0.880 242 R HN 0.480 nan 8.270 nan 0.000 0.451 243 S N 1.115 116.786 115.700 -0.047 0.000 2.365 243 S HA -0.115 4.361 4.470 0.009 0.000 0.225 243 S C 1.834 176.452 174.600 0.030 0.000 1.039 243 S CA 1.141 59.360 58.200 0.032 0.000 1.033 243 S CB -0.132 63.118 63.200 0.082 0.000 0.887 243 S HN 0.233 nan 8.310 nan 0.000 0.447 244 L N 0.917 122.139 121.223 -0.002 0.000 2.093 244 L HA -0.078 4.268 4.340 0.009 0.000 0.208 244 L C 2.209 179.044 176.870 -0.059 0.000 1.085 244 L CA 0.871 55.710 54.840 -0.001 0.000 0.755 244 L CB -0.505 41.588 42.059 0.057 0.000 0.904 244 L HN 0.317 nan 8.230 nan 0.000 0.435 245 L N -1.116 120.049 121.223 -0.098 0.000 2.042 245 L HA -0.273 4.073 4.340 0.009 0.000 0.210 245 L C 2.795 179.605 176.870 -0.100 0.000 1.076 245 L CA 1.166 55.918 54.840 -0.147 0.000 0.749 245 L CB -0.466 41.405 42.059 -0.313 0.000 0.893 245 L HN 0.339 nan 8.230 nan 0.000 0.432 246 M N -0.959 118.586 119.600 -0.091 0.000 2.108 246 M HA -0.243 4.243 4.480 0.009 0.000 0.261 246 M C 2.487 178.803 176.300 0.027 0.000 1.066 246 M CA 1.607 56.886 55.300 -0.034 0.000 1.107 246 M CB -1.384 31.142 32.600 -0.122 0.000 1.356 246 M HN 0.434 nan 8.290 nan 0.000 0.406 247 C N 0.115 119.363 119.300 -0.086 0.000 2.429 247 C HA -0.167 4.298 4.460 0.009 0.000 0.277 247 C C 2.771 177.493 174.990 -0.447 0.000 1.262 247 C CA 0.757 59.529 59.018 -0.410 0.000 1.733 247 C CB -1.117 26.022 27.740 -1.001 0.000 2.010 247 C HN 0.580 nan 8.230 nan 0.000 0.483 248 Q N -0.463 119.182 119.800 -0.258 0.000 2.050 248 Q HA -0.244 4.102 4.340 0.009 0.000 0.202 248 Q C 2.084 178.119 176.000 0.058 0.000 0.980 248 Q CA 2.121 57.919 55.803 -0.008 0.000 0.840 248 Q CB -0.332 28.452 28.738 0.078 0.000 0.898 248 Q HN 0.782 nan 8.270 nan 0.000 0.424 249 H N 0.303 119.377 119.070 0.007 0.000 2.321 249 H HA -0.148 4.413 4.556 0.009 0.000 0.300 249 H C 1.802 177.181 175.328 0.086 0.000 1.087 249 H CA 1.540 57.650 56.048 0.103 0.000 1.319 249 H CB -0.225 29.595 29.762 0.097 0.000 1.379 249 H HN 0.184 nan 8.280 nan 0.000 0.501 250 L N 0.897 122.139 121.223 0.031 0.000 2.042 250 L HA -0.146 4.199 4.340 0.009 0.000 0.210 250 L C 2.307 179.152 176.870 -0.041 0.000 1.076 250 L CA 2.266 57.103 54.840 -0.004 0.000 0.749 250 L CB -0.880 41.225 42.059 0.078 0.000 0.893 250 L HN 0.472 nan 8.230 nan 0.000 0.432 251 E N -1.118 119.064 120.200 -0.031 0.000 2.077 251 E HA -0.238 4.118 4.350 0.009 0.000 0.193 251 E C 2.212 178.768 176.600 -0.073 0.000 0.989 251 E CA 0.803 57.202 56.400 -0.001 0.000 0.800 251 E CB 0.024 29.788 29.700 0.106 0.000 0.746 251 E HN 0.345 nan 8.360 nan 0.000 0.452 252 R N 0.128 120.538 120.500 -0.150 0.000 2.081 252 R HA -0.110 4.235 4.340 0.009 0.000 0.235 252 R C 2.375 178.549 176.300 -0.210 0.000 1.131 252 R CA 0.946 56.875 56.100 -0.285 0.000 0.960 252 R CB -0.871 29.037 30.300 -0.653 0.000 0.856 252 R HN 0.200 nan 8.270 nan 0.000 0.436 253 V N 1.547 121.359 119.914 -0.169 0.000 2.358 253 V HA -0.180 3.945 4.120 0.009 0.000 0.246 253 V C 2.522 178.538 176.094 -0.130 0.000 1.047 253 V CA 1.381 63.620 62.300 -0.100 0.000 1.035 253 V CB -0.481 31.301 31.823 -0.069 0.000 0.658 253 V HN 0.188 nan 8.190 nan 0.000 0.452 254 L N -0.166 121.005 121.223 -0.087 0.000 2.083 254 L HA -0.191 4.154 4.340 0.009 0.000 0.209 254 L C 2.359 179.165 176.870 -0.107 0.000 1.083 254 L CA 1.496 56.293 54.840 -0.072 0.000 0.752 254 L CB -0.768 41.279 42.059 -0.020 0.000 0.899 254 L HN 0.337 nan 8.230 nan 0.000 0.433 255 D N 0.304 120.638 120.400 -0.110 0.000 2.144 255 D HA -0.147 4.499 4.640 0.009 0.000 0.199 255 D C 2.258 178.469 176.300 -0.147 0.000 0.984 255 D CA 1.246 55.179 54.000 -0.111 0.000 0.834 255 D CB -0.066 40.673 40.800 -0.102 0.000 0.955 255 D HN 0.319 nan 8.370 nan 0.000 0.465 256 I N 0.995 121.445 120.570 -0.201 0.000 2.252 256 I HA -0.231 3.944 4.170 0.009 0.000 0.245 256 I C 2.467 178.329 176.117 -0.425 0.000 1.102 256 I CA 0.960 62.113 61.300 -0.246 0.000 1.385 256 I CB -0.212 37.636 38.000 -0.253 0.000 1.064 256 I HN -0.080 nan 8.210 nan 0.000 0.414 257 A N 0.565 122.980 122.820 -0.674 0.000 1.908 257 A HA -0.249 4.077 4.320 0.009 0.000 0.218 257 A C 1.954 179.499 177.584 -0.066 0.000 1.181 257 A CA 2.126 53.818 52.037 -0.575 0.000 0.627 257 A CB -0.608 18.222 19.000 -0.283 0.000 0.818 257 A HN 0.344 nan 8.150 nan 0.000 0.445 258 D N -0.528 119.825 120.400 -0.078 0.000 2.144 258 D HA -0.154 4.491 4.640 0.009 0.000 0.199 258 D C 1.862 178.129 176.300 -0.055 0.000 0.984 258 D CA 1.554 55.535 54.000 -0.032 0.000 0.834 258 D CB -0.273 40.497 40.800 -0.050 0.000 0.955 258 D HN 0.629 nan 8.370 nan 0.000 0.465 259 K N -0.338 119.990 120.400 -0.119 0.000 2.152 259 K HA -0.171 4.154 4.320 0.009 0.000 0.206 259 K C 1.105 177.470 176.600 -0.391 0.000 1.048 259 K CA 1.115 57.242 56.287 -0.266 0.000 0.933 259 K CB -0.051 32.239 32.500 -0.350 0.000 0.721 259 K HN 0.211 nan 8.250 nan 0.000 0.447 260 Y N -1.006 119.316 120.300 0.036 0.000 2.458 260 Y HA 0.253 4.808 4.550 0.007 0.000 0.256 260 Y C 1.189 177.170 175.900 0.135 0.000 1.159 260 Y CA 0.238 58.427 58.100 0.148 0.000 1.261 260 Y CB 1.351 40.000 38.460 0.314 0.000 1.119 260 Y HN 0.278 nan 8.280 nan 0.000 0.524 261 G N -0.346 108.549 108.800 0.159 0.000 2.141 261 G HA2 -0.283 3.683 3.960 0.009 0.000 0.242 261 G HA3 -0.283 3.683 3.960 0.009 0.000 0.242 261 G C -0.125 174.767 174.900 -0.014 0.000 0.982 261 G CA -0.502 44.612 45.100 0.024 0.000 0.662 261 G HN 0.170 nan 8.290 nan 0.000 0.527 262 F N 1.141 121.147 119.950 0.095 0.000 2.389 262 F HA 0.531 5.062 4.527 0.007 0.000 0.337 262 F C 0.734 176.575 175.800 0.068 0.000 1.112 262 F CA -0.713 57.356 58.000 0.115 0.000 1.192 262 F CB 0.887 40.034 39.000 0.245 0.000 1.185 262 F HN -0.072 nan 8.300 nan 0.000 0.552 263 N N 1.593 120.432 118.700 0.231 0.000 2.421 263 N HA 0.380 5.126 4.740 0.009 0.000 0.285 263 N C -1.264 174.345 175.510 0.165 0.000 1.027 263 N CA -0.314 52.825 53.050 0.148 0.000 0.918 263 N CB 1.429 39.964 38.487 0.079 0.000 1.152 263 N HN 0.426 nan 8.380 nan 0.000 0.485 264 C N 1.041 120.411 119.300 0.117 0.000 2.391 264 C HA 0.500 4.965 4.460 0.009 0.000 0.339 264 C C 0.248 175.253 174.990 0.025 0.000 1.205 264 C CA -0.777 58.290 59.018 0.082 0.000 1.937 264 C CB 1.117 28.913 27.740 0.093 0.000 2.341 264 C HN 0.535 nan 8.230 nan 0.000 0.516 265 Q N 2.081 121.860 119.800 -0.035 0.000 2.351 265 Q HA 0.839 5.185 4.340 0.009 0.000 0.273 265 Q C -0.749 175.164 176.000 -0.146 0.000 1.077 265 Q CA -0.464 55.286 55.803 -0.088 0.000 0.843 265 Q CB 2.210 30.851 28.738 -0.162 0.000 1.367 265 Q HN 0.847 nan 8.270 nan 0.000 0.449 266 M N -1.357 118.167 119.600 -0.127 0.000 2.569 266 M HA 0.536 5.022 4.480 0.009 0.000 0.279 266 M C -1.893 174.374 176.300 -0.056 0.000 1.253 266 M CA -0.906 54.307 55.300 -0.145 0.000 0.867 266 M CB 1.737 34.370 32.600 0.056 0.000 1.727 266 M HN 0.542 nan 8.290 nan 0.000 0.467 267 W N 1.237 122.650 121.300 0.188 0.000 2.190 267 W HA 0.396 5.061 4.660 0.010 0.000 0.330 267 W C 1.309 178.030 176.519 0.336 0.000 1.299 267 W CA -0.124 57.391 57.345 0.284 0.000 1.215 267 W CB 0.664 30.253 29.460 0.216 0.000 1.147 267 W HN 0.873 nan 8.180 nan 0.000 0.563 268 S N -0.232 115.866 115.700 0.662 0.000 2.575 268 S HA -0.152 4.324 4.470 0.009 0.000 0.215 268 S C 1.242 176.076 174.600 0.390 0.000 0.966 268 S CA 0.588 59.100 58.200 0.521 0.000 0.911 268 S CB -0.314 63.246 63.200 0.599 0.000 0.780 268 S HN 0.652 nan 8.310 nan 0.000 0.514 269 D N 2.002 122.645 120.400 0.405 0.000 2.178 269 D HA -0.163 4.482 4.640 0.009 0.000 0.201 269 D C 1.742 178.101 176.300 0.099 0.000 0.980 269 D CA 0.857 54.988 54.000 0.219 0.000 0.842 269 D CB -0.335 40.667 40.800 0.338 0.000 0.948 269 D HN 0.329 nan 8.370 nan 0.000 0.472 270 M N -0.094 119.510 119.600 0.007 0.000 2.374 270 M HA 0.064 4.549 4.480 0.009 0.000 0.264 270 M C 0.477 176.613 176.300 -0.274 0.000 1.067 270 M CA 0.499 55.691 55.300 -0.181 0.000 1.103 270 M CB -0.689 31.714 32.600 -0.328 0.000 1.402 270 M HN -0.073 nan 8.290 nan 0.000 0.444 294 Y N 0.926 121.214 120.300 -0.020 0.000 2.114 294 Y HA -0.171 4.384 4.550 0.008 0.000 0.284 294 Y C 2.452 178.323 175.900 -0.048 0.000 1.143 294 Y CA 2.188 60.275 58.100 -0.022 0.000 1.135 294 Y CB 0.244 38.701 38.460 -0.004 0.000 0.980 294 Y HN 0.226 nan 8.280 nan 0.000 0.499 295 L N 0.106 121.390 121.223 0.102 0.000 2.131 295 L HA -0.266 4.080 4.340 0.009 0.000 0.210 295 L C 1.693 178.534 176.870 -0.049 0.000 1.092 295 L CA 1.940 56.724 54.840 -0.093 0.000 0.759 295 L CB -0.364 41.558 42.059 -0.228 0.000 0.903 295 L HN 0.319 nan 8.230 nan 0.000 0.435 296 D N -0.529 119.872 120.400 0.002 0.000 2.219 296 D HA -0.198 4.447 4.640 0.009 0.000 0.205 296 D C 2.273 178.583 176.300 0.017 0.000 0.970 296 D CA 0.938 54.939 54.000 0.001 0.000 0.851 296 D CB 0.217 41.021 40.800 0.007 0.000 0.943 296 D HN 0.350 nan 8.370 nan 0.000 0.488 297 R N -0.103 120.423 120.500 0.043 0.000 2.127 297 R HA 0.051 4.397 4.340 0.009 0.000 0.217 297 R C 2.083 178.414 176.300 0.051 0.000 1.074 297 R CA 0.567 56.693 56.100 0.043 0.000 0.991 297 R CB -0.560 29.762 30.300 0.037 0.000 0.895 297 R HN 0.211 nan 8.270 nan 0.000 0.450 298 L N 1.955 123.218 121.223 0.067 0.000 2.156 298 L HA -0.057 4.288 4.340 0.009 0.000 0.208 298 L C 2.442 179.317 176.870 0.007 0.000 1.095 298 L CA 1.527 56.392 54.840 0.040 0.000 0.770 298 L CB -0.405 41.664 42.059 0.017 0.000 0.914 298 L HN 0.296 nan 8.230 nan 0.000 0.439 299 K N -0.406 119.984 120.400 -0.015 0.000 2.280 299 K HA -0.152 4.173 4.320 0.009 0.000 0.202 299 K C 1.524 178.137 176.600 0.021 0.000 1.047 299 K CA 1.066 57.348 56.287 -0.008 0.000 0.942 299 K CB -0.181 32.307 32.500 -0.019 0.000 0.739 299 K HN 0.177 nan 8.250 nan 0.000 0.457 300 E N 1.166 121.379 120.200 0.022 0.000 2.338 300 E HA -0.089 4.267 4.350 0.009 0.000 0.197 300 E C 1.269 177.887 176.600 0.029 0.000 1.007 300 E CA 0.820 57.236 56.400 0.027 0.000 0.849 300 E CB 0.100 29.813 29.700 0.022 0.000 0.774 300 E HN 0.462 nan 8.360 nan 0.000 0.506 301 R N -0.091 120.427 120.500 0.030 0.000 2.472 301 R HA 0.254 4.599 4.340 0.009 0.000 0.279 301 R C -0.019 176.305 176.300 0.040 0.000 0.953 301 R CA -0.046 56.074 56.100 0.032 0.000 1.088 301 R CB 1.513 31.831 30.300 0.029 0.000 1.197 301 R HN -0.149 nan 8.270 nan 0.000 0.536 302 V N 0.214 120.154 119.914 0.044 0.000 2.969 302 V HA 0.271 4.396 4.120 0.009 0.000 0.304 302 V C -1.199 174.931 176.094 0.059 0.000 1.192 302 V CA -0.548 61.783 62.300 0.051 0.000 0.962 302 V CB 2.636 34.494 31.823 0.058 0.000 1.045 302 V HN 0.001 nan 8.190 nan 0.000 0.428 303 T N 7.166 121.754 114.554 0.057 0.000 2.771 303 T HA 0.551 4.906 4.350 0.009 0.000 0.291 303 T C -0.215 174.538 174.700 0.089 0.000 0.954 303 T CA -0.096 62.047 62.100 0.072 0.000 1.045 303 T CB 0.623 69.524 68.868 0.054 0.000 0.917 303 T HN 0.490 nan 8.240 nan 0.000 0.484 304 L N 3.593 124.902 121.223 0.143 0.000 2.305 304 L HA 0.458 4.804 4.340 0.009 0.000 0.281 304 L C -0.207 176.795 176.870 0.220 0.000 1.085 304 L CA -0.832 54.134 54.840 0.209 0.000 0.813 304 L CB 0.961 43.187 42.059 0.278 0.000 1.157 304 L HN 0.322 nan 8.230 nan 0.000 0.436 305 V N 3.474 123.537 119.914 0.248 0.000 2.328 305 V HA 0.130 4.256 4.120 0.009 0.000 0.278 305 V C -0.490 175.852 176.094 0.414 0.000 1.021 305 V CA -0.670 61.797 62.300 0.279 0.000 0.838 305 V CB 0.998 32.952 31.823 0.219 0.000 0.999 305 V HN 0.436 nan 8.190 nan 0.000 0.447 306 Y N 7.434 127.768 120.300 0.057 0.000 2.486 306 Y HA 0.379 4.934 4.550 0.009 0.000 0.348 306 Y C -0.188 175.679 175.900 -0.055 0.000 1.000 306 Y CA -1.956 56.045 58.100 -0.166 0.000 1.253 306 Y CB 0.460 38.510 38.460 -0.683 0.000 1.140 306 Y HN 0.727 nan 8.280 nan 0.000 0.526 307 W N 7.093 128.300 121.300 -0.155 0.000 2.433 307 W HA 0.609 5.275 4.660 0.009 0.000 0.315 307 W C -1.440 174.657 176.519 -0.703 0.000 1.087 307 W CA -0.978 56.063 57.345 -0.505 0.000 1.205 307 W CB 1.559 30.832 29.460 -0.311 0.000 1.288 307 W HN 0.534 nan 8.180 nan 0.000 0.504 308 D N 3.543 123.528 120.400 -0.691 0.000 2.688 308 D HA 0.153 4.798 4.640 0.009 0.000 0.210 308 D C -1.112 175.157 176.300 -0.051 0.000 1.333 308 D CA -0.412 53.374 54.000 -0.356 0.000 0.920 308 D CB 0.895 41.678 40.800 -0.027 0.000 1.554 308 D HN 0.312 nan 8.370 nan 0.000 0.579 309 Y N 2.402 122.702 120.300 -0.000 0.000 2.531 309 Y HA 0.267 4.822 4.550 0.009 0.000 0.249 309 Y C 0.534 176.628 175.900 0.323 0.000 1.168 309 Y CA -0.273 57.856 58.100 0.048 0.000 1.226 309 Y CB -0.073 38.253 38.460 -0.224 0.000 1.177 309 Y HN 0.352 nan 8.280 nan 0.000 0.527 310 Y N -1.542 119.232 120.300 0.791 0.000 2.572 310 Y HA 0.232 4.787 4.550 0.009 0.000 0.274 310 Y C 0.760 176.941 175.900 0.468 0.000 1.135 310 Y CA -0.843 57.691 58.100 0.723 0.000 1.230 310 Y CB 0.111 38.896 38.460 0.541 0.000 1.293 310 Y HN -0.232 nan 8.280 nan 0.000 0.501 311 Q N 2.424 122.453 119.800 0.382 0.000 2.332 311 Q HA 0.050 4.395 4.340 0.009 0.000 0.263 311 Q C 0.091 176.206 176.000 0.192 0.000 0.979 311 Q CA 0.331 56.173 55.803 0.066 0.000 0.885 311 Q CB 0.870 29.275 28.738 -0.555 0.000 1.218 311 Q HN 0.522 nan 8.270 nan 0.000 0.405 312 D N -1.032 119.462 120.400 0.157 0.000 2.363 312 D HA -0.002 4.644 4.640 0.009 0.000 0.214 312 D C -0.296 176.091 176.300 0.144 0.000 1.093 312 D CA -0.228 53.859 54.000 0.147 0.000 0.837 312 D CB 0.328 41.204 40.800 0.127 0.000 0.948 312 D HN 0.261 nan 8.370 nan 0.000 0.507 313 S N -1.512 114.288 115.700 0.168 0.000 2.536 313 S HA 0.256 4.731 4.470 0.009 0.000 0.271 313 S C 0.687 175.446 174.600 0.264 0.000 1.134 313 S CA -0.784 57.517 58.200 0.168 0.000 0.897 313 S CB 2.193 65.457 63.200 0.107 0.000 1.094 313 S HN -0.027 nan 8.310 nan 0.000 0.473 314 E N 1.429 121.779 120.200 0.250 0.000 2.130 314 E HA -0.242 4.113 4.350 0.009 0.000 0.196 314 E C 1.364 178.132 176.600 0.281 0.000 0.998 314 E CA 1.989 58.562 56.400 0.289 0.000 0.806 314 E CB -0.071 29.724 29.700 0.158 0.000 0.738 314 E HN 0.805 nan 8.360 nan 0.000 0.459 315 E N 0.844 121.153 120.200 0.181 0.000 2.204 315 E HA -0.182 4.173 4.350 0.009 0.000 0.194 315 E C 1.811 178.491 176.600 0.135 0.000 0.989 315 E CA 0.890 57.377 56.400 0.145 0.000 0.824 315 E CB -0.293 29.465 29.700 0.097 0.000 0.756 315 E HN 0.305 nan 8.360 nan 0.000 0.477 316 K N 0.252 120.712 120.400 0.100 0.000 2.097 316 K HA -0.084 4.242 4.320 0.009 0.000 0.205 316 K C 2.110 178.725 176.600 0.024 0.000 1.050 316 K CA 1.304 57.599 56.287 0.013 0.000 0.938 316 K CB -0.311 32.142 32.500 -0.078 0.000 0.718 316 K HN 0.130 nan 8.250 nan 0.000 0.442 317 Y N 1.455 121.881 120.300 0.209 0.000 2.200 317 Y HA -0.154 4.402 4.550 0.009 0.000 0.290 317 Y C 2.112 178.200 175.900 0.313 0.000 1.137 317 Y CA 0.822 59.095 58.100 0.289 0.000 1.163 317 Y CB -0.264 38.386 38.460 0.317 0.000 0.988 317 Y HN 0.097 nan 8.280 nan 0.000 0.518 318 N N 0.352 119.319 118.700 0.445 0.000 2.104 318 N HA -0.195 4.550 4.740 0.009 0.000 0.190 318 N C 1.916 177.572 175.510 0.244 0.000 1.024 318 N CA 1.287 54.562 53.050 0.376 0.000 0.853 318 N CB -0.473 38.159 38.487 0.242 0.000 1.008 318 N HN 0.317 nan 8.380 nan 0.000 0.424 319 R N 0.916 121.504 120.500 0.147 0.000 2.105 319 R HA -0.047 4.299 4.340 0.009 0.000 0.239 319 R C 1.554 177.859 176.300 0.009 0.000 1.135 319 R CA 1.702 57.845 56.100 0.071 0.000 0.967 319 R CB -0.110 30.214 30.300 0.040 0.000 0.861 319 R HN 0.317 nan 8.270 nan 0.000 0.442 320 N N -0.979 117.679 118.700 -0.069 0.000 2.216 320 N HA -0.090 4.656 4.740 0.009 0.000 0.183 320 N C 1.319 176.620 175.510 -0.349 0.000 1.017 320 N CA 1.218 54.077 53.050 -0.319 0.000 0.861 320 N CB -0.110 37.962 38.487 -0.691 0.000 0.986 320 N HN 0.077 nan 8.380 nan 0.000 0.428 321 F N 1.762 121.593 119.950 -0.199 0.000 2.095 321 F HA -0.173 4.360 4.527 0.009 0.000 0.298 321 F C 2.456 178.097 175.800 -0.266 0.000 1.104 321 F CA 1.230 59.082 58.000 -0.248 0.000 1.232 321 F CB -0.572 38.382 39.000 -0.076 0.000 0.987 321 F HN 0.075 nan 8.300 nan 0.000 0.475 322 Q N 0.103 119.988 119.800 0.142 0.000 2.045 322 Q HA -0.258 4.087 4.340 0.009 0.000 0.206 322 Q C 1.958 178.012 176.000 0.090 0.000 0.991 322 Q CA 2.087 57.987 55.803 0.163 0.000 0.851 322 Q CB -0.627 28.195 28.738 0.140 0.000 0.911 322 Q HN 0.578 nan 8.270 nan 0.000 0.418 323 N N -0.579 118.131 118.700 0.015 0.000 2.104 323 N HA -0.194 4.551 4.740 0.009 0.000 0.190 323 N C 1.655 177.127 175.510 -0.063 0.000 1.024 323 N CA 1.006 54.034 53.050 -0.036 0.000 0.853 323 N CB -0.168 38.261 38.487 -0.097 0.000 1.008 323 N HN 0.285 nan 8.380 nan 0.000 0.424 324 H N -0.073 118.908 119.070 -0.148 0.000 2.387 324 H HA -0.032 4.530 4.556 0.009 0.000 0.299 324 H C 1.611 176.934 175.328 -0.008 0.000 1.090 324 H CA 1.229 57.208 56.048 -0.116 0.000 1.332 324 H CB -0.012 29.634 29.762 -0.194 0.000 1.386 324 H HN 0.320 nan 8.280 nan 0.000 0.516 325 H N 0.556 119.743 119.070 0.194 0.000 2.545 325 H HA -0.029 4.532 4.556 0.009 0.000 0.282 325 H C 1.765 177.138 175.328 0.075 0.000 1.020 325 H CA 0.687 56.816 56.048 0.135 0.000 1.243 325 H CB 0.115 29.955 29.762 0.130 0.000 1.377 325 H HN 0.413 nan 8.280 nan 0.000 0.581 326 K N 0.495 120.984 120.400 0.149 0.000 2.097 326 K HA -0.080 4.245 4.320 0.009 0.000 0.206 326 K C 2.088 178.721 176.600 0.056 0.000 1.049 326 K CA 1.638 57.971 56.287 0.078 0.000 0.933 326 K CB 0.134 32.653 32.500 0.032 0.000 0.717 326 K HN 0.413 nan 8.250 nan 0.000 0.442 327 I N -4.108 116.490 120.570 0.047 0.000 3.790 327 I HA 0.141 4.317 4.170 0.009 0.000 0.305 327 I C 0.438 176.581 176.117 0.045 0.000 1.253 327 I CA -0.229 61.080 61.300 0.015 0.000 1.355 327 I CB 0.963 38.934 38.000 -0.049 0.000 1.137 327 I HN -0.137 nan 8.210 nan 0.000 0.435 328 S N 0.003 115.770 115.700 0.111 0.000 2.537 328 S HA 0.318 4.794 4.470 0.009 0.000 0.271 328 S C -0.205 174.536 174.600 0.235 0.000 1.148 328 S CA -0.537 57.744 58.200 0.134 0.000 0.868 328 S CB 1.808 65.075 63.200 0.112 0.000 1.115 328 S HN 0.225 nan 8.310 nan 0.000 0.461 329 Q N 1.319 121.227 119.800 0.180 0.000 2.392 329 Q HA 0.151 4.497 4.340 0.009 0.000 0.203 329 Q C -0.478 175.639 176.000 0.196 0.000 0.917 329 Q CA 0.361 56.281 55.803 0.194 0.000 0.939 329 Q CB 0.015 28.791 28.738 0.064 0.000 1.063 329 Q HN 0.691 nan 8.270 nan 0.000 0.516 330 D N 0.999 121.499 120.400 0.167 0.000 2.494 330 D HA 0.151 4.797 4.640 0.009 0.000 0.217 330 D C -0.828 175.585 176.300 0.187 0.000 1.153 330 D CA -0.073 54.018 54.000 0.152 0.000 0.954 330 D CB -0.046 40.818 40.800 0.106 0.000 1.034 330 D HN -0.096 nan 8.370 nan 0.000 0.518 331 I N 2.477 123.189 120.570 0.236 0.000 2.439 331 I HA 0.480 4.656 4.170 0.009 0.000 0.285 331 I C 0.315 176.597 176.117 0.275 0.000 1.021 331 I CA -1.039 60.420 61.300 0.265 0.000 1.091 331 I CB 0.870 39.056 38.000 0.309 0.000 1.242 331 I HN 0.241 nan 8.210 nan 0.000 0.439 332 A N 6.291 129.250 122.820 0.232 0.000 2.269 332 A HA 0.757 5.082 4.320 0.009 0.000 0.319 332 A C -1.188 176.579 177.584 0.304 0.000 1.110 332 A CA -0.414 51.752 52.037 0.216 0.000 0.847 332 A CB 1.140 20.208 19.000 0.113 0.000 1.161 332 A HN 0.593 nan 8.150 nan 0.000 0.497 333 F N 0.809 120.822 119.950 0.105 0.000 2.482 333 F HA 0.625 5.158 4.527 0.009 0.000 0.331 333 F C 0.148 175.941 175.800 -0.011 0.000 1.115 333 F CA -0.469 57.568 58.000 0.062 0.000 0.955 333 F CB 1.551 40.629 39.000 0.129 0.000 1.136 333 F HN 0.660 nan 8.300 nan 0.000 0.452 334 A N 4.627 126.972 122.820 -0.791 0.000 2.273 334 A HA 0.696 5.022 4.320 0.009 0.000 0.315 334 A C -0.056 177.019 177.584 -0.848 0.000 1.256 334 A CA -0.079 51.639 52.037 -0.532 0.000 0.851 334 A CB 0.332 19.379 19.000 0.077 0.000 1.172 334 A HN 1.026 nan 8.150 nan 0.000 0.508 335 G N 0.756 109.255 108.800 -0.501 0.000 2.568 335 G HA2 0.636 4.602 3.960 0.009 0.000 0.293 335 G HA3 0.636 4.602 3.960 0.009 0.000 0.293 335 G C 0.097 175.148 174.900 0.252 0.000 1.347 335 G CA -0.352 44.798 45.100 0.084 0.000 1.039 335 G HN 1.326 nan 8.290 nan 0.000 0.523 336 G N -1.609 107.474 108.800 0.472 0.000 2.687 336 G HA2 0.667 4.633 3.960 0.009 0.000 0.301 336 G HA3 0.667 4.633 3.960 0.009 0.000 0.301 336 G C -0.823 174.355 174.900 0.463 0.000 1.416 336 G CA 0.164 45.443 45.100 0.298 0.000 1.005 336 G HN 1.079 nan 8.290 nan 0.000 0.509 337 A N 1.825 124.847 122.820 0.337 0.000 2.322 337 A HA 0.558 4.884 4.320 0.009 0.000 0.327 337 A C -0.881 176.801 177.584 0.163 0.000 1.394 337 A CA -0.690 51.545 52.037 0.330 0.000 0.921 337 A CB 0.111 19.275 19.000 0.272 0.000 1.153 337 A HN 0.629 nan 8.150 nan 0.000 0.523 338 W N 2.818 124.045 121.300 -0.121 0.000 2.666 338 W HA 0.346 5.012 4.660 0.010 0.000 0.365 338 W C 1.067 177.325 176.519 -0.434 0.000 1.224 338 W CA 0.122 57.065 57.345 -0.670 0.000 1.515 338 W CB 0.545 29.758 29.460 -0.413 0.000 1.562 338 W HN 0.730 nan 8.180 nan 0.000 0.455 339 K N 1.886 122.110 120.400 -0.294 0.000 2.734 339 K HA 0.206 4.531 4.320 0.009 0.000 0.200 339 K C -0.069 176.616 176.600 0.142 0.000 1.120 339 K CA -0.557 55.739 56.287 0.015 0.000 1.067 339 K CB -0.588 31.988 32.500 0.127 0.000 0.771 339 K HN 0.429 nan 8.250 nan 0.000 0.481 340 W N 1.342 122.707 121.300 0.109 0.000 2.771 340 W HA 0.401 5.067 4.660 0.010 0.000 0.412 340 W C 0.151 176.738 176.519 0.114 0.000 0.965 340 W CA -0.933 56.455 57.345 0.071 0.000 2.045 340 W CB -0.130 29.328 29.460 -0.004 0.000 1.176 340 W HN 0.103 nan 8.180 nan 0.000 0.634 341 I N -1.045 119.594 120.570 0.115 0.000 3.531 341 I HA 0.860 5.036 4.170 0.009 0.000 0.341 341 I C 0.694 176.903 176.117 0.154 0.000 1.550 341 I CA 0.068 61.469 61.300 0.169 0.000 1.087 341 I CB -0.077 38.023 38.000 0.167 0.000 1.408 341 I HN 0.198 nan 8.210 nan 0.000 0.484 342 G N 1.837 110.705 108.800 0.114 0.000 2.246 342 G HA2 -0.184 3.781 3.960 0.009 0.000 0.196 342 G HA3 -0.184 3.781 3.960 0.009 0.000 0.196 342 G C -0.242 174.598 174.900 -0.099 0.000 1.180 342 G CA -0.050 45.079 45.100 0.049 0.000 1.291 342 G HN 0.150 nan 8.290 nan 0.000 0.508 343 F N 2.235 122.257 119.950 0.119 0.000 2.731 343 F HA 0.422 4.954 4.527 0.010 0.000 0.298 343 F C 1.168 177.051 175.800 0.139 0.000 1.106 343 F CA 1.102 59.199 58.000 0.162 0.000 1.329 343 F CB 1.170 40.264 39.000 0.158 0.000 1.100 343 F HN 0.283 nan 8.300 nan 0.000 0.592 344 T N 2.654 117.344 114.554 0.227 0.000 2.881 344 T HA 0.329 4.684 4.350 0.009 0.000 0.290 344 T C -2.536 172.227 174.700 0.105 0.000 1.000 344 T CA -1.462 60.721 62.100 0.138 0.000 0.978 344 T CB 2.678 71.602 68.868 0.095 0.000 0.997 344 T HN -0.270 nan 8.240 nan 0.000 0.443 345 P HA 0.278 nan 4.420 nan 0.000 0.302 345 P C -0.792 176.583 177.300 0.126 0.000 1.307 345 P CA -0.390 62.775 63.100 0.109 0.000 0.754 345 P CB 0.886 32.656 31.700 0.117 0.000 1.298 346 H N 0.373 119.507 119.070 0.108 0.000 2.490 346 H HA 0.233 4.795 4.556 0.009 0.000 0.230 346 H C 0.721 176.151 175.328 0.170 0.000 1.417 346 H CA -0.265 55.848 56.048 0.109 0.000 1.449 346 H CB -0.348 29.412 29.762 -0.003 0.000 1.649 346 H HN 0.287 nan 8.280 nan 0.000 0.519 347 N N 0.457 119.328 118.700 0.286 0.000 2.223 347 N HA -0.140 4.605 4.740 0.009 0.000 0.185 347 N C 1.039 176.672 175.510 0.204 0.000 1.016 347 N CA 0.912 54.086 53.050 0.206 0.000 0.863 347 N CB 0.240 38.768 38.487 0.067 0.000 0.983 347 N HN 0.598 nan 8.380 nan 0.000 0.429 348 H N 0.039 119.233 119.070 0.207 0.000 2.290 348 H HA -0.076 4.485 4.556 0.009 0.000 0.298 348 H C 1.728 177.175 175.328 0.198 0.000 1.087 348 H CA 1.516 57.679 56.048 0.193 0.000 1.291 348 H CB -0.487 29.391 29.762 0.193 0.000 1.369 348 H HN 0.171 nan 8.280 nan 0.000 0.492 349 F N 0.985 121.079 119.950 0.241 0.000 2.171 349 F HA -0.198 4.335 4.527 0.009 0.000 0.300 349 F C 2.361 178.112 175.800 -0.082 0.000 1.090 349 F CA 1.222 59.109 58.000 -0.189 0.000 1.293 349 F CB -0.266 38.222 39.000 -0.854 0.000 1.013 349 F HN -0.008 nan 8.300 nan 0.000 0.486 350 S N 0.384 116.156 115.700 0.121 0.000 2.370 350 S HA -0.254 4.221 4.470 0.009 0.000 0.226 350 S C 2.068 176.695 174.600 0.045 0.000 1.033 350 S CA 1.456 59.784 58.200 0.214 0.000 1.011 350 S CB -0.486 62.930 63.200 0.361 0.000 0.852 350 S HN 0.434 nan 8.310 nan 0.000 0.457 351 R N 1.040 121.541 120.500 0.002 0.000 2.080 351 R HA -0.057 4.288 4.340 0.009 0.000 0.236 351 R C 2.428 178.646 176.300 -0.136 0.000 1.137 351 R CA 1.467 57.525 56.100 -0.069 0.000 0.943 351 R CB -0.565 29.713 30.300 -0.038 0.000 0.846 351 R HN 0.433 nan 8.270 nan 0.000 0.431 352 L N 0.933 122.059 121.223 -0.162 0.000 2.013 352 L HA -0.186 4.159 4.340 0.009 0.000 0.212 352 L C 2.293 179.040 176.870 -0.206 0.000 1.073 352 L CA 1.981 56.706 54.840 -0.191 0.000 0.753 352 L CB -0.214 41.702 42.059 -0.238 0.000 0.890 352 L HN 0.297 nan 8.230 nan 0.000 0.432 353 V N -3.092 116.650 119.914 -0.287 0.000 2.591 353 V HA 0.019 4.144 4.120 0.009 0.000 0.249 353 V C 2.522 178.607 176.094 -0.016 0.000 1.053 353 V CA 1.158 63.415 62.300 -0.072 0.000 1.068 353 V CB -1.316 30.526 31.823 0.031 0.000 0.689 353 V HN 0.409 nan 8.190 nan 0.000 0.462 354 A N 0.981 123.711 122.820 -0.150 0.000 1.933 354 A HA -0.040 4.286 4.320 0.009 0.000 0.218 354 A C 2.183 179.453 177.584 -0.524 0.000 1.175 354 A CA 2.046 53.771 52.037 -0.521 0.000 0.628 354 A CB -0.676 17.761 19.000 -0.938 0.000 0.814 354 A HN 0.557 nan 8.150 nan 0.000 0.444 355 I N -0.268 120.116 120.570 -0.310 0.000 2.163 355 I HA -0.250 3.926 4.170 0.009 0.000 0.243 355 I C 2.453 178.480 176.117 -0.150 0.000 1.085 355 I CA 1.452 62.624 61.300 -0.213 0.000 1.347 355 I CB -0.262 37.660 38.000 -0.130 0.000 1.044 355 I HN 0.296 nan 8.210 nan 0.000 0.408 356 E N 0.705 120.853 120.200 -0.086 0.000 2.107 356 E HA -0.103 4.252 4.350 0.009 0.000 0.191 356 E C 2.328 178.844 176.600 -0.140 0.000 0.982 356 E CA 1.268 57.668 56.400 -0.001 0.000 0.809 356 E CB -0.297 29.513 29.700 0.183 0.000 0.756 356 E HN 0.482 nan 8.360 nan 0.000 0.459 357 A N 1.788 124.391 122.820 -0.361 0.000 1.902 357 A HA -0.237 4.088 4.320 0.009 0.000 0.217 357 A C 2.076 179.485 177.584 -0.291 0.000 1.181 357 A CA 1.881 53.502 52.037 -0.693 0.000 0.623 357 A CB -0.748 18.022 19.000 -0.384 0.000 0.818 357 A HN 0.271 nan 8.150 nan 0.000 0.443 358 N N -0.106 118.495 118.700 -0.166 0.000 2.069 358 N HA -0.196 4.549 4.740 0.009 0.000 0.191 358 N C 1.613 177.135 175.510 0.020 0.000 1.031 358 N CA 2.195 55.255 53.050 0.017 0.000 0.852 358 N CB -0.289 38.140 38.487 -0.095 0.000 1.018 358 N HN 0.534 nan 8.380 nan 0.000 0.423 359 K N -0.211 120.166 120.400 -0.039 0.000 2.020 359 K HA -0.145 4.180 4.320 0.009 0.000 0.212 359 K C 2.085 178.679 176.600 -0.011 0.000 1.050 359 K CA 1.624 57.903 56.287 -0.014 0.000 0.929 359 K CB -0.378 32.122 32.500 0.000 0.000 0.714 359 K HN 0.314 nan 8.250 nan 0.000 0.443 360 A N 0.856 123.665 122.820 -0.020 0.000 1.930 360 A HA -0.171 4.154 4.320 0.009 0.000 0.217 360 A C 2.416 179.895 177.584 -0.174 0.000 1.175 360 A CA 1.472 53.511 52.037 0.003 0.000 0.627 360 A CB -0.920 18.186 19.000 0.176 0.000 0.815 360 A HN 0.442 nan 8.150 nan 0.000 0.443 361 C N -1.097 118.101 119.300 -0.170 0.000 2.429 361 C HA -0.054 4.412 4.460 0.009 0.000 0.277 361 C C 2.890 177.858 174.990 -0.036 0.000 1.262 361 C CA 1.090 59.989 59.018 -0.197 0.000 1.733 361 C CB -1.301 26.430 27.740 -0.015 0.000 2.010 361 C HN 0.621 nan 8.230 nan 0.000 0.483 362 R N 1.065 121.594 120.500 0.049 0.000 2.073 362 R HA -0.152 4.193 4.340 0.009 0.000 0.234 362 R C 2.275 178.544 176.300 -0.051 0.000 1.134 362 R CA 1.569 57.667 56.100 -0.004 0.000 0.952 362 R CB -0.373 29.909 30.300 -0.031 0.000 0.850 362 R HN 0.539 nan 8.270 nan 0.000 0.433 363 K N 0.613 120.977 120.400 -0.059 0.000 2.152 363 K HA -0.124 4.201 4.320 0.009 0.000 0.206 363 K C 0.982 177.536 176.600 -0.078 0.000 1.048 363 K CA 1.518 57.774 56.287 -0.052 0.000 0.933 363 K CB 0.057 32.544 32.500 -0.021 0.000 0.721 363 K HN 0.153 nan 8.250 nan 0.000 0.447 364 N N 0.941 119.536 118.700 -0.175 0.000 2.268 364 N HA -0.002 4.743 4.740 0.009 0.000 0.204 364 N C -0.630 174.812 175.510 -0.113 0.000 1.124 364 N CA 0.211 53.148 53.050 -0.188 0.000 0.838 364 N CB 0.742 38.910 38.487 -0.531 0.000 0.994 364 N HN 0.241 nan 8.380 nan 0.000 0.489 365 Q N -0.304 119.451 119.800 -0.075 0.000 2.481 365 Q HA -0.142 4.203 4.340 0.009 0.000 0.272 365 Q C -0.492 175.531 176.000 0.038 0.000 1.157 365 Q CA 0.223 56.017 55.803 -0.015 0.000 0.935 365 Q CB -1.808 26.918 28.738 -0.020 0.000 1.338 365 Q HN 0.106 nan 8.270 nan 0.000 0.494 366 V N 0.737 120.678 119.914 0.044 0.000 2.694 366 V HA -0.139 3.986 4.120 0.009 0.000 0.306 366 V C 1.460 177.683 176.094 0.215 0.000 1.054 366 V CA 1.302 63.679 62.300 0.127 0.000 1.161 366 V CB 1.057 32.939 31.823 0.098 0.000 0.916 366 V HN 0.309 nan 8.190 nan 0.000 0.490 367 K N 2.424 122.929 120.400 0.175 0.000 2.308 367 K HA 0.189 4.515 4.320 0.009 0.000 0.197 367 K C 0.550 177.249 176.600 0.166 0.000 1.049 367 K CA 0.348 56.738 56.287 0.171 0.000 0.991 367 K CB 0.540 33.108 32.500 0.113 0.000 0.836 367 K HN 0.745 nan 8.250 nan 0.000 0.500 368 E N 1.012 121.273 120.200 0.101 0.000 2.263 368 E HA 0.280 4.635 4.350 0.009 0.000 0.268 368 E C -1.683 174.878 176.600 -0.064 0.000 0.884 368 E CA -0.614 55.801 56.400 0.026 0.000 0.766 368 E CB 1.925 31.647 29.700 0.036 0.000 1.196 368 E HN -0.222 nan 8.360 nan 0.000 0.416 369 V N 5.514 125.310 119.914 -0.196 0.000 2.540 369 V HA 0.474 4.599 4.120 0.009 0.000 0.302 369 V C -0.479 175.476 176.094 -0.231 0.000 1.035 369 V CA -0.681 61.446 62.300 -0.288 0.000 0.873 369 V CB 1.572 33.011 31.823 -0.640 0.000 0.992 369 V HN 0.599 nan 8.190 nan 0.000 0.428 370 I N 4.767 125.207 120.570 -0.217 0.000 2.389 370 I HA 0.429 4.605 4.170 0.009 0.000 0.288 370 I C -0.267 175.703 176.117 -0.245 0.000 0.999 370 I CA -0.510 60.689 61.300 -0.169 0.000 1.129 370 I CB 1.977 39.910 38.000 -0.111 0.000 1.288 370 I HN 0.283 nan 8.210 nan 0.000 0.444 371 V N 4.982 124.794 119.914 -0.170 0.000 2.385 371 V HA 0.377 4.502 4.120 0.009 0.000 0.269 371 V C 0.494 176.537 176.094 -0.084 0.000 1.043 371 V CA -0.564 61.660 62.300 -0.127 0.000 0.906 371 V CB 0.962 32.802 31.823 0.028 0.000 0.995 371 V HN 0.852 nan 8.190 nan 0.000 0.467 372 T N 1.292 115.698 114.554 -0.246 0.000 2.875 372 T HA 0.656 5.012 4.350 0.009 0.000 0.284 372 T C 0.419 174.853 174.700 -0.444 0.000 0.995 372 T CA -0.250 61.465 62.100 -0.642 0.000 1.060 372 T CB 1.764 69.957 68.868 -1.125 0.000 0.967 372 T HN 0.866 nan 8.240 nan 0.000 0.476 373 G N 2.066 110.514 108.800 -0.586 0.000 4.713 373 G HA2 0.437 4.403 3.960 0.009 0.000 0.318 373 G HA3 0.437 4.403 3.960 0.009 0.000 0.318 373 G C -0.408 174.366 174.900 -0.211 0.000 1.435 373 G CA -1.075 43.959 45.100 -0.110 0.000 0.965 373 G HN 0.750 nan 8.290 nan 0.000 0.542 374 W N 0.059 121.275 121.300 -0.141 0.000 2.089 374 W HA 0.427 5.092 4.660 0.008 0.000 0.355 374 W C 1.155 177.704 176.519 0.049 0.000 1.305 374 W CA 0.349 57.528 57.345 -0.276 0.000 1.281 374 W CB 1.066 30.026 29.460 -0.833 0.000 1.183 374 W HN 0.315 nan 8.180 nan 0.000 0.604 375 G N 0.489 109.450 108.800 0.269 0.000 4.250 375 G HA2 0.076 4.041 3.960 0.009 0.000 0.295 375 G HA3 0.076 4.041 3.960 0.009 0.000 0.295 375 G C -0.889 174.127 174.900 0.194 0.000 1.081 375 G CA -0.602 44.638 45.100 0.233 0.000 0.854 375 G HN 0.367 nan 8.290 nan 0.000 0.524 376 D N 1.226 121.732 120.400 0.177 0.000 3.046 376 D HA -0.127 4.519 4.640 0.009 0.000 0.213 376 D C 1.117 177.489 176.300 0.120 0.000 1.074 376 D CA 1.161 55.219 54.000 0.097 0.000 0.785 376 D CB 0.123 40.980 40.800 0.096 0.000 1.160 376 D HN 0.491 nan 8.370 nan 0.000 0.524 377 N N 1.320 120.073 118.700 0.088 0.000 2.816 377 N HA -0.223 4.522 4.740 0.009 0.000 0.247 377 N C 0.648 176.200 175.510 0.069 0.000 1.100 377 N CA 0.709 53.813 53.050 0.091 0.000 0.687 377 N CB -1.081 37.483 38.487 0.129 0.000 1.003 377 N HN 0.823 nan 8.380 nan 0.000 0.554 378 G N -1.323 107.518 108.800 0.068 0.000 2.260 378 G HA2 0.054 4.020 3.960 0.009 0.000 0.179 378 G HA3 0.054 4.020 3.960 0.009 0.000 0.179 378 G C 0.736 175.731 174.900 0.158 0.000 1.002 378 G CA 0.672 45.806 45.100 0.057 0.000 0.677 378 G HN 1.447 nan 8.290 nan 0.000 0.486 379 G N 0.083 108.980 108.800 0.161 0.000 2.295 379 G HA2 -0.238 3.728 3.960 0.009 0.000 0.287 379 G HA3 -0.238 3.728 3.960 0.009 0.000 0.287 379 G C 0.587 175.658 174.900 0.284 0.000 1.055 379 G CA 1.232 46.457 45.100 0.208 0.000 0.922 379 G HN 0.785 nan 8.290 nan 0.000 0.503 380 E N -0.650 119.612 120.200 0.103 0.000 2.427 380 E HA 0.040 4.396 4.350 0.009 0.000 0.196 380 E C 1.114 177.803 176.600 0.148 0.000 1.028 380 E CA 0.812 57.185 56.400 -0.045 0.000 0.864 380 E CB 0.222 29.353 29.700 -0.949 0.000 0.813 380 E HN 0.495 nan 8.360 nan 0.000 0.514 381 T N 0.588 115.228 114.554 0.144 0.000 2.845 381 T HA 0.134 4.489 4.350 0.009 0.000 0.288 381 T C -0.023 174.787 174.700 0.184 0.000 0.980 381 T CA -0.425 61.788 62.100 0.188 0.000 1.071 381 T CB 1.596 70.548 68.868 0.140 0.000 0.941 381 T HN -0.039 nan 8.240 nan 0.000 0.487 382 S N 2.220 118.031 115.700 0.185 0.000 2.558 382 S HA -0.062 4.413 4.470 0.009 0.000 0.291 382 S C 1.546 176.201 174.600 0.091 0.000 1.306 382 S CA -0.272 58.012 58.200 0.141 0.000 1.056 382 S CB 0.386 63.660 63.200 0.124 0.000 0.836 382 S HN 0.627 nan 8.310 nan 0.000 0.504 383 Q N 3.058 122.873 119.800 0.025 0.000 2.364 383 Q HA -0.066 4.280 4.340 0.009 0.000 0.209 383 Q C 0.606 176.404 176.000 -0.338 0.000 0.977 383 Q CA 1.447 57.150 55.803 -0.166 0.000 0.885 383 Q CB -0.158 28.395 28.738 -0.309 0.000 0.941 383 Q HN 0.897 nan 8.270 nan 0.000 0.464 384 F N -0.183 119.851 119.950 0.140 0.000 2.653 384 F HA 0.074 4.607 4.527 0.009 0.000 0.304 384 F C 2.049 177.932 175.800 0.137 0.000 1.092 384 F CA 0.055 58.144 58.000 0.149 0.000 1.279 384 F CB 0.258 39.433 39.000 0.292 0.000 1.044 384 F HN -0.025 nan 8.300 nan 0.000 0.564 385 S N -0.072 115.751 115.700 0.205 0.000 2.419 385 S HA -0.124 4.351 4.470 0.009 0.000 0.233 385 S C 1.389 176.109 174.600 0.200 0.000 1.016 385 S CA 1.196 59.510 58.200 0.189 0.000 0.974 385 S CB -0.832 62.440 63.200 0.121 0.000 0.786 385 S HN 0.235 nan 8.310 nan 0.000 0.492 386 V N -1.185 118.788 119.914 0.098 0.000 3.043 386 V HA 0.468 4.594 4.120 0.009 0.000 0.357 386 V C 1.276 177.339 176.094 -0.052 0.000 1.372 386 V CA -0.351 61.975 62.300 0.044 0.000 1.214 386 V CB -0.867 30.990 31.823 0.057 0.000 1.224 386 V HN 0.376 nan 8.190 nan 0.000 0.507 387 L N 0.115 121.263 121.223 -0.124 0.000 2.042 387 L HA -0.034 4.311 4.340 0.009 0.000 0.210 387 L C -0.003 176.882 176.870 0.026 0.000 1.076 387 L CA 1.897 56.652 54.840 -0.142 0.000 0.749 387 L CB -1.693 40.183 42.059 -0.305 0.000 0.893 387 L HN 0.398 nan 8.230 nan 0.000 0.432 388 P HA -0.164 nan 4.420 nan 0.000 0.215 388 P C 1.537 178.896 177.300 0.099 0.000 1.153 388 P CA 1.773 64.784 63.100 -0.148 0.000 0.853 388 P CB -0.004 31.433 31.700 -0.437 0.000 0.788 389 A N -0.622 122.253 122.820 0.092 0.000 1.933 389 A HA -0.171 4.155 4.320 0.009 0.000 0.218 389 A C 2.216 179.968 177.584 0.281 0.000 1.175 389 A CA 1.467 53.619 52.037 0.192 0.000 0.628 389 A CB -1.664 17.470 19.000 0.224 0.000 0.814 389 A HN 0.116 nan 8.150 nan 0.000 0.444 390 L N -1.411 119.932 121.223 0.199 0.000 2.056 390 L HA -0.205 4.141 4.340 0.009 0.000 0.207 390 L C 2.848 179.961 176.870 0.404 0.000 1.078 390 L CA 1.644 56.639 54.840 0.258 0.000 0.749 390 L CB -0.517 41.492 42.059 -0.083 0.000 0.901 390 L HN 0.448 nan 8.230 nan 0.000 0.433 391 Q N 0.755 120.749 119.800 0.323 0.000 2.061 391 Q HA -0.204 4.141 4.340 0.009 0.000 0.204 391 Q C 2.083 178.234 176.000 0.251 0.000 0.984 391 Q CA 1.807 57.806 55.803 0.327 0.000 0.846 391 Q CB -0.257 28.720 28.738 0.399 0.000 0.902 391 Q HN 0.431 nan 8.270 nan 0.000 0.421 392 I N -1.090 119.599 120.570 0.199 0.000 2.151 392 I HA -0.310 3.866 4.170 0.009 0.000 0.243 392 I C 1.809 177.996 176.117 0.117 0.000 1.080 392 I CA 1.581 62.933 61.300 0.087 0.000 1.339 392 I CB -0.365 37.661 38.000 0.043 0.000 1.039 392 I HN 0.369 nan 8.210 nan 0.000 0.409 393 W N 0.492 121.900 121.300 0.180 0.000 2.358 393 W HA -0.206 4.460 4.660 0.010 0.000 0.303 393 W C 2.718 179.325 176.519 0.147 0.000 1.208 393 W CA 1.367 58.819 57.345 0.178 0.000 1.274 393 W CB -0.246 29.353 29.460 0.231 0.000 1.138 393 W HN 0.109 nan 8.180 nan 0.000 0.515 394 A N 0.124 123.181 122.820 0.395 0.000 1.877 394 A HA -0.224 4.101 4.320 0.009 0.000 0.216 394 A C 1.849 179.633 177.584 0.332 0.000 1.186 394 A CA 1.814 54.025 52.037 0.289 0.000 0.620 394 A CB -0.710 18.442 19.000 0.254 0.000 0.822 394 A HN 0.185 nan 8.150 nan 0.000 0.443 395 E N 0.224 120.567 120.200 0.240 0.000 2.077 395 E HA -0.154 4.202 4.350 0.009 0.000 0.193 395 E C 2.064 178.755 176.600 0.151 0.000 0.989 395 E CA 1.013 57.523 56.400 0.185 0.000 0.800 395 E CB -0.550 29.203 29.700 0.088 0.000 0.746 395 E HN 0.689 nan 8.360 nan 0.000 0.452 396 L N 0.442 121.735 121.223 0.117 0.000 2.083 396 L HA -0.139 4.207 4.340 0.009 0.000 0.209 396 L C 2.517 179.474 176.870 0.145 0.000 1.083 396 L CA 1.137 56.020 54.840 0.073 0.000 0.752 396 L CB -0.530 41.498 42.059 -0.053 0.000 0.899 396 L HN 0.062 nan 8.230 nan 0.000 0.433 397 A N -1.013 121.964 122.820 0.262 0.000 1.930 397 A HA -0.197 4.128 4.320 0.009 0.000 0.217 397 A C 1.914 179.419 177.584 -0.131 0.000 1.175 397 A CA 1.440 53.570 52.037 0.155 0.000 0.627 397 A CB -0.529 18.632 19.000 0.268 0.000 0.815 397 A HN 0.405 nan 8.150 nan 0.000 0.443 398 Y N -1.835 118.490 120.300 0.041 0.000 2.503 398 Y HA 0.199 4.755 4.550 0.009 0.000 0.277 398 Y C 2.444 178.343 175.900 -0.003 0.000 1.102 398 Y CA 0.851 58.955 58.100 0.008 0.000 1.261 398 Y CB 0.377 38.849 38.460 0.019 0.000 1.096 398 Y HN 0.144 nan 8.280 nan 0.000 0.546 399 R N -1.070 119.515 120.500 0.142 0.000 2.469 399 R HA 0.097 4.443 4.340 0.009 0.000 0.250 399 R C 0.292 176.608 176.300 0.028 0.000 0.909 399 R CA 0.301 56.450 56.100 0.083 0.000 1.050 399 R CB 0.399 30.758 30.300 0.099 0.000 1.256 399 R HN 0.037 nan 8.270 nan 0.000 0.550 400 N N 1.574 120.282 118.700 0.013 0.000 2.741 400 N HA -0.189 4.556 4.740 0.009 0.000 0.251 400 N C -1.571 173.928 175.510 -0.019 0.000 1.112 400 N CA 1.786 54.828 53.050 -0.014 0.000 0.750 400 N CB -0.704 37.765 38.487 -0.031 0.000 1.119 400 N HN 0.593 nan 8.380 nan 0.000 0.561 401 D N -2.492 117.900 120.400 -0.013 0.000 2.665 401 D HA 0.337 4.983 4.640 0.009 0.000 0.287 401 D C 0.011 176.284 176.300 -0.045 0.000 1.266 401 D CA -0.716 53.265 54.000 -0.033 0.000 0.830 401 D CB -0.014 40.768 40.800 -0.029 0.000 1.356 401 D HN -0.011 nan 8.370 nan 0.000 0.437 402 L N 0.287 121.465 121.223 -0.074 0.000 2.965 402 L HA 0.325 4.670 4.340 0.009 0.000 0.254 402 L C 1.484 178.267 176.870 -0.144 0.000 1.220 402 L CA -0.381 54.386 54.840 -0.120 0.000 1.023 402 L CB -0.070 41.908 42.059 -0.135 0.000 1.355 402 L HN 0.313 nan 8.230 nan 0.000 0.545 403 K N 0.421 120.757 120.400 -0.107 0.000 2.147 403 K HA -0.057 4.269 4.320 0.009 0.000 0.205 403 K C 1.100 177.602 176.600 -0.163 0.000 1.049 403 K CA 0.887 57.109 56.287 -0.108 0.000 0.936 403 K CB 0.183 32.642 32.500 -0.069 0.000 0.722 403 K HN 0.119 nan 8.250 nan 0.000 0.446 404 K N 0.823 121.089 120.400 -0.223 0.000 2.514 404 K HA 0.088 4.413 4.320 0.009 0.000 0.207 404 K C 1.282 177.581 176.600 -0.502 0.000 1.035 404 K CA 0.057 56.099 56.287 -0.408 0.000 1.113 404 K CB 0.831 32.984 32.500 -0.579 0.000 0.846 404 K HN -0.060 nan 8.250 nan 0.000 0.491 405 V N 0.782 120.468 119.914 -0.381 0.000 2.343 405 V HA -0.255 3.870 4.120 0.009 0.000 0.247 405 V C 1.857 177.694 176.094 -0.428 0.000 1.051 405 V CA 2.107 64.136 62.300 -0.452 0.000 1.036 405 V CB 0.023 31.414 31.823 -0.721 0.000 0.654 405 V HN 0.287 nan 8.190 nan 0.000 0.451 406 S N -0.348 115.124 115.700 -0.380 0.000 2.355 406 S HA -0.184 4.291 4.470 0.009 0.000 0.222 406 S C 1.744 176.357 174.600 0.021 0.000 1.031 406 S CA 1.695 59.828 58.200 -0.112 0.000 0.993 406 S CB -0.288 62.890 63.200 -0.037 0.000 0.859 406 S HN 0.719 nan 8.310 nan 0.000 0.453 407 E N 0.800 120.945 120.200 -0.092 0.000 2.058 407 E HA -0.140 4.215 4.350 0.009 0.000 0.194 407 E C 1.821 178.472 176.600 0.085 0.000 0.997 407 E CA 1.482 57.859 56.400 -0.039 0.000 0.801 407 E CB -0.304 29.316 29.700 -0.133 0.000 0.746 407 E HN 0.701 nan 8.360 nan 0.000 0.450 408 H N -1.643 117.450 119.070 0.039 0.000 2.395 408 H HA -0.025 4.537 4.556 0.009 0.000 0.299 408 H C 1.690 177.077 175.328 0.099 0.000 1.070 408 H CA 0.607 56.681 56.048 0.044 0.000 1.356 408 H CB -0.047 29.725 29.762 0.017 0.000 1.401 408 H HN 0.103 nan 8.280 nan 0.000 0.524 409 F N 1.246 121.250 119.950 0.090 0.000 2.171 409 F HA -0.186 4.346 4.527 0.009 0.000 0.300 409 F C 2.160 178.034 175.800 0.125 0.000 1.090 409 F CA 0.640 58.700 58.000 0.100 0.000 1.293 409 F CB -0.208 38.873 39.000 0.136 0.000 1.013 409 F HN 0.064 nan 8.300 nan 0.000 0.486 410 L N -0.196 121.150 121.223 0.206 0.000 2.079 410 L HA -0.170 4.176 4.340 0.009 0.000 0.210 410 L C 2.205 179.113 176.870 0.062 0.000 1.081 410 L CA 1.579 56.494 54.840 0.125 0.000 0.752 410 L CB -0.948 41.199 42.059 0.147 0.000 0.896 410 L HN 0.056 nan 8.230 nan 0.000 0.433 411 V N -1.170 118.791 119.914 0.078 0.000 2.295 411 V HA -0.250 3.875 4.120 0.009 0.000 0.246 411 V C 2.502 178.645 176.094 0.082 0.000 1.049 411 V CA 1.875 64.224 62.300 0.083 0.000 1.024 411 V CB -0.850 31.017 31.823 0.072 0.000 0.648 411 V HN 0.492 nan 8.190 nan 0.000 0.447 412 S N 0.292 115.978 115.700 -0.024 0.000 2.383 412 S HA -0.155 4.321 4.470 0.009 0.000 0.227 412 S C 1.955 176.550 174.600 -0.008 0.000 1.026 412 S CA 1.914 60.071 58.200 -0.072 0.000 0.981 412 S CB -0.253 62.845 63.200 -0.170 0.000 0.818 412 S HN 0.870 nan 8.310 nan 0.000 0.472 413 T N -3.568 110.875 114.554 -0.185 0.000 2.955 413 T HA 0.487 4.842 4.350 0.009 0.000 0.251 413 T C 1.481 176.243 174.700 0.103 0.000 1.002 413 T CA 0.827 62.886 62.100 -0.069 0.000 0.970 413 T CB 0.457 69.028 68.868 -0.495 0.000 1.091 413 T HN 0.550 nan 8.240 nan 0.000 0.495 414 G N 1.689 110.517 108.800 0.046 0.000 2.179 414 G HA2 -0.163 3.802 3.960 0.009 0.000 0.260 414 G HA3 -0.163 3.802 3.960 0.009 0.000 0.260 414 G C -0.129 174.838 174.900 0.111 0.000 0.977 414 G CA 0.511 45.657 45.100 0.076 0.000 0.641 414 G HN 1.149 nan 8.290 nan 0.000 0.533 415 L N -2.683 118.634 121.223 0.157 0.000 2.277 415 L HA 0.953 5.299 4.340 0.009 0.000 0.254 415 L C -0.295 176.791 176.870 0.360 0.000 1.044 415 L CA -1.202 53.773 54.840 0.225 0.000 0.842 415 L CB 1.086 43.281 42.059 0.227 0.000 1.422 415 L HN 0.005 nan 8.230 nan 0.000 0.422 416 D N -0.235 120.341 120.400 0.293 0.000 2.390 416 D HA 0.121 4.767 4.640 0.009 0.000 0.249 416 D C 0.681 177.215 176.300 0.391 0.000 1.144 416 D CA 0.054 54.238 54.000 0.306 0.000 0.880 416 D CB 0.693 41.592 40.800 0.165 0.000 1.182 416 D HN 0.540 nan 8.370 nan 0.000 0.451 417 F N 3.343 123.407 119.950 0.191 0.000 2.126 417 F HA -0.190 4.342 4.527 0.009 0.000 0.299 417 F C 1.592 177.330 175.800 -0.104 0.000 1.096 417 F CA 1.616 59.498 58.000 -0.196 0.000 1.255 417 F CB 0.097 38.920 39.000 -0.295 0.000 0.997 417 F HN 0.439 nan 8.300 nan 0.000 0.479 418 D N 0.148 120.555 120.400 0.012 0.000 2.144 418 D HA -0.155 4.491 4.640 0.009 0.000 0.200 418 D C 1.813 178.083 176.300 -0.051 0.000 0.978 418 D CA 1.344 55.298 54.000 -0.076 0.000 0.833 418 D CB -0.470 40.360 40.800 0.050 0.000 0.961 418 D HN 0.340 nan 8.370 nan 0.000 0.470 419 D N 0.192 120.599 120.400 0.013 0.000 2.092 419 D HA -0.148 4.498 4.640 0.009 0.000 0.193 419 D C 1.849 178.184 176.300 0.059 0.000 0.994 419 D CA 0.547 54.546 54.000 -0.002 0.000 0.828 419 D CB -0.601 40.173 40.800 -0.044 0.000 0.963 419 D HN 0.208 nan 8.370 nan 0.000 0.450 420 F N 0.542 120.486 119.950 -0.010 0.000 2.216 420 F HA -0.159 4.374 4.527 0.009 0.000 0.300 420 F C 2.334 178.137 175.800 0.004 0.000 1.085 420 F CA 0.729 58.826 58.000 0.161 0.000 1.326 420 F CB 0.084 39.195 39.000 0.184 0.000 1.027 420 F HN -0.138 nan 8.300 nan 0.000 0.497 421 M N -0.017 119.570 119.600 -0.022 0.000 2.358 421 M HA -0.200 4.286 4.480 0.009 0.000 0.264 421 M C 1.668 178.043 176.300 0.125 0.000 1.064 421 M CA 1.507 56.740 55.300 -0.110 0.000 1.093 421 M CB -0.900 31.435 32.600 -0.442 0.000 1.401 421 M HN 0.115 nan 8.290 nan 0.000 0.440 422 K N 0.123 120.599 120.400 0.126 0.000 2.504 422 K HA 0.007 4.332 4.320 0.009 0.000 0.195 422 K C 1.763 178.438 176.600 0.124 0.000 1.036 422 K CA 0.306 56.667 56.287 0.122 0.000 0.984 422 K CB -0.163 32.387 32.500 0.084 0.000 0.788 422 K HN 0.309 nan 8.250 nan 0.000 0.488 423 I N 1.608 122.265 120.570 0.146 0.000 2.423 423 I HA -0.276 3.900 4.170 0.009 0.000 0.254 423 I C 0.642 176.761 176.117 0.004 0.000 1.151 423 I CA 1.410 62.708 61.300 -0.004 0.000 1.421 423 I CB 0.066 37.946 38.000 -0.200 0.000 1.079 423 I HN 0.150 nan 8.210 nan 0.000 0.431 424 D N 0.686 121.104 120.400 0.030 0.000 2.378 424 D HA -0.102 4.543 4.640 0.009 0.000 0.222 424 D C 2.142 178.394 176.300 -0.080 0.000 0.980 424 D CA 0.607 54.577 54.000 -0.050 0.000 0.907 424 D CB -0.090 40.658 40.800 -0.086 0.000 0.899 424 D HN 0.396 nan 8.370 nan 0.000 0.527 425 L N 0.513 121.730 121.223 -0.010 0.000 2.079 425 L HA -0.176 4.170 4.340 0.009 0.000 0.210 425 L C 2.271 179.234 176.870 0.156 0.000 1.081 425 L CA 1.089 55.952 54.840 0.037 0.000 0.752 425 L CB -0.312 41.755 42.059 0.013 0.000 0.896 425 L HN 0.015 nan 8.230 nan 0.000 0.433 426 A N -0.547 122.352 122.820 0.132 0.000 2.216 426 A HA -0.126 4.200 4.320 0.009 0.000 0.214 426 A C 1.717 179.428 177.584 0.212 0.000 1.160 426 A CA 1.265 53.452 52.037 0.251 0.000 0.725 426 A CB -0.357 18.689 19.000 0.078 0.000 0.784 426 A HN 0.459 nan 8.150 nan 0.000 0.472 427 N N -0.655 118.069 118.700 0.041 0.000 2.282 427 N HA 0.150 4.896 4.740 0.009 0.000 0.185 427 N C 0.135 175.566 175.510 -0.132 0.000 1.099 427 N CA 0.208 53.233 53.050 -0.042 0.000 0.878 427 N CB 0.229 38.657 38.487 -0.099 0.000 0.993 427 N HN 0.407 nan 8.380 nan 0.000 0.481 428 L N 2.102 123.220 121.223 -0.175 0.000 2.648 428 L HA 0.295 4.641 4.340 0.009 0.000 0.238 428 L C 0.007 176.568 176.870 -0.516 0.000 1.316 428 L CA -0.205 54.472 54.840 -0.270 0.000 1.241 428 L CB -0.369 41.534 42.059 -0.260 0.000 1.499 428 L HN -0.104 nan 8.230 nan 0.000 0.411 429 L N 1.838 122.759 121.223 -0.504 0.000 2.485 429 L HA 0.129 4.475 4.340 0.009 0.000 0.275 429 L C -1.756 174.845 176.870 -0.450 0.000 1.207 429 L CA -1.717 52.726 54.840 -0.660 0.000 0.855 429 L CB -0.074 41.759 42.059 -0.377 0.000 1.114 429 L HN 0.130 nan 8.230 nan 0.000 0.485 430 P HA -0.009 nan 4.420 nan 0.000 0.265 430 P C -0.312 176.900 177.300 -0.146 0.000 1.187 430 P CA 0.235 63.207 63.100 -0.214 0.000 0.766 430 P CB 0.335 31.941 31.700 -0.156 0.000 0.820 431 D N -1.021 119.319 120.400 -0.099 0.000 2.946 431 D HA -0.163 4.482 4.640 0.009 0.000 0.202 431 D C -0.046 176.215 176.300 -0.065 0.000 1.068 431 D CA 0.672 54.632 54.000 -0.067 0.000 1.011 431 D CB -1.425 39.342 40.800 -0.055 0.000 1.105 431 D HN 0.343 nan 8.370 nan 0.000 0.425 432 L N 1.987 123.158 121.223 -0.086 0.000 2.462 432 L HA 0.183 4.529 4.340 0.009 0.000 0.272 432 L C -1.512 175.325 176.870 -0.054 0.000 1.166 432 L CA -1.139 53.653 54.840 -0.080 0.000 0.880 432 L CB -0.084 41.920 42.059 -0.091 0.000 1.142 432 L HN -0.270 nan 8.230 nan 0.000 0.473 433 P HA -0.021 nan 4.420 nan 0.000 0.264 433 P C -0.031 177.266 177.300 -0.005 0.000 1.193 433 P CA -0.228 62.857 63.100 -0.025 0.000 0.763 433 P CB 0.433 32.115 31.700 -0.031 0.000 0.810 434 D N 1.689 122.111 120.400 0.036 0.000 2.310 434 D HA -0.164 4.482 4.640 0.009 0.000 0.212 434 D C 0.749 177.145 176.300 0.159 0.000 0.965 434 D CA 0.901 54.953 54.000 0.087 0.000 0.879 434 D CB -0.695 40.158 40.800 0.088 0.000 0.921 434 D HN 0.322 nan 8.370 nan 0.000 0.510 435 N N 0.640 119.424 118.700 0.140 0.000 2.270 435 N HA 0.002 4.747 4.740 0.009 0.000 0.198 435 N C -0.184 175.506 175.510 0.300 0.000 1.117 435 N CA -0.164 53.031 53.050 0.242 0.000 0.845 435 N CB -0.062 38.517 38.487 0.152 0.000 0.980 435 N HN 0.228 nan 8.380 nan 0.000 0.486 436 L N 1.514 122.785 121.223 0.080 0.000 2.282 436 L HA 0.370 4.716 4.340 0.009 0.000 0.288 436 L C 0.395 177.015 176.870 -0.416 0.000 1.033 436 L CA -0.841 53.949 54.840 -0.083 0.000 0.807 436 L CB 1.561 43.422 42.059 -0.330 0.000 1.209 436 L HN 0.064 nan 8.230 nan 0.000 0.423 437 S N 0.799 116.235 115.700 -0.440 0.000 2.646 437 S HA 0.682 5.158 4.470 0.009 0.000 0.276 437 S C 0.961 175.334 174.600 -0.378 0.000 1.222 437 S CA 0.103 57.681 58.200 -1.036 0.000 1.014 437 S CB 1.671 64.407 63.200 -0.773 0.000 0.991 437 S HN 1.037 nan 8.310 nan 0.000 0.533 438 G N 0.748 109.261 108.800 -0.478 0.000 2.159 438 G HA2 -0.232 3.734 3.960 0.009 0.000 0.256 438 G HA3 -0.232 3.734 3.960 0.009 0.000 0.256 438 G C -0.009 174.933 174.900 0.071 0.000 0.977 438 G CA 0.121 45.240 45.100 0.032 0.000 0.652 438 G HN 0.849 nan 8.290 nan 0.000 0.531 439 I N 2.174 122.742 120.570 -0.004 0.000 2.494 439 I HA 0.179 4.354 4.170 0.009 0.000 0.289 439 I C 0.471 176.661 176.117 0.122 0.000 1.106 439 I CA -0.007 61.349 61.300 0.094 0.000 1.369 439 I CB 0.364 38.361 38.000 -0.005 0.000 1.410 439 I HN 0.346 nan 8.210 nan 0.000 0.523 440 N N 8.355 127.172 118.700 0.194 0.000 2.679 440 N HA 0.184 4.929 4.740 0.009 0.000 0.302 440 N C -2.250 173.130 175.510 -0.218 0.000 1.941 440 N CA -1.763 51.342 53.050 0.091 0.000 0.875 440 N CB 0.489 39.078 38.487 0.169 0.000 1.278 440 N HN 0.242 nan 8.380 nan 0.000 0.490 441 P HA -0.152 nan 4.420 nan 0.000 0.225 441 P C 0.936 177.926 177.300 -0.517 0.000 1.148 441 P CA 0.925 63.426 63.100 -0.997 0.000 0.779 441 P CB 0.134 31.623 31.700 -0.353 0.000 0.780 442 N N 0.538 119.108 118.700 -0.217 0.000 2.132 442 N HA -0.234 4.512 4.740 0.009 0.000 0.191 442 N C 1.998 177.401 175.510 -0.179 0.000 1.015 442 N CA 1.469 54.415 53.050 -0.173 0.000 0.864 442 N CB -0.787 37.691 38.487 -0.016 0.000 1.006 442 N HN 0.081 nan 8.380 nan 0.000 0.430 443 R N -0.985 119.458 120.500 -0.095 0.000 2.105 443 R HA 0.001 4.346 4.340 0.009 0.000 0.214 443 R C 2.018 178.358 176.300 0.066 0.000 1.091 443 R CA 0.892 57.036 56.100 0.074 0.000 1.007 443 R CB -0.225 30.211 30.300 0.227 0.000 0.912 443 R HN 0.595 nan 8.270 nan 0.000 0.450 444 Y N -1.838 118.490 120.300 0.046 0.000 2.420 444 Y HA 0.117 4.672 4.550 0.009 0.000 0.292 444 Y C 1.680 177.557 175.900 -0.038 0.000 1.119 444 Y CA 0.067 58.170 58.100 0.005 0.000 1.229 444 Y CB -0.379 38.026 38.460 -0.091 0.000 1.026 444 Y HN -0.269 nan 8.280 nan 0.000 0.554 445 V N 1.158 120.986 119.914 -0.143 0.000 2.427 445 V HA -0.261 3.865 4.120 0.009 0.000 0.248 445 V C 2.428 178.431 176.094 -0.152 0.000 1.051 445 V CA 1.700 63.932 62.300 -0.114 0.000 1.048 445 V CB -0.617 31.055 31.823 -0.251 0.000 0.666 445 V HN 0.512 nan 8.190 nan 0.000 0.456 446 L N -0.662 120.420 121.223 -0.234 0.000 1.994 446 L HA -0.147 4.198 4.340 0.009 0.000 0.208 446 L C 2.205 179.030 176.870 -0.075 0.000 1.071 446 L CA 2.248 56.913 54.840 -0.293 0.000 0.745 446 L CB -0.615 41.129 42.059 -0.526 0.000 0.892 446 L HN 0.328 nan 8.230 nan 0.000 0.431 447 Y N -0.103 120.248 120.300 0.084 0.000 2.500 447 Y HA 0.145 4.701 4.550 0.009 0.000 0.270 447 Y C 1.136 177.091 175.900 0.091 0.000 1.134 447 Y CA -0.216 57.986 58.100 0.169 0.000 1.293 447 Y CB -0.793 37.852 38.460 0.308 0.000 1.063 447 Y HN 0.445 nan 8.280 nan 0.000 0.534 448 Q N 0.615 120.523 119.800 0.179 0.000 2.432 448 Q HA 0.027 4.373 4.340 0.009 0.000 0.264 448 Q C -0.365 175.686 176.000 0.084 0.000 1.035 448 Q CA -0.332 55.522 55.803 0.085 0.000 0.908 448 Q CB 0.592 29.354 28.738 0.040 0.000 1.280 448 Q HN 0.127 nan 8.270 nan 0.000 0.455 449 D N 0.535 120.970 120.400 0.058 0.000 2.362 449 D HA -0.007 4.638 4.640 0.009 0.000 0.238 449 D C 0.348 176.683 176.300 0.058 0.000 1.212 449 D CA -0.146 53.892 54.000 0.063 0.000 0.902 449 D CB 1.094 41.919 40.800 0.043 0.000 1.180 449 D HN 0.412 nan 8.370 nan 0.000 0.445 450 V N 1.658 121.617 119.914 0.075 0.000 2.492 450 V HA -0.055 4.070 4.120 0.009 0.000 0.241 450 V C 2.181 178.317 176.094 0.069 0.000 1.041 450 V CA 0.814 63.162 62.300 0.079 0.000 1.057 450 V CB -0.495 31.410 31.823 0.137 0.000 0.711 450 V HN 0.526 nan 8.190 nan 0.000 0.468 451 L N -0.615 120.642 121.223 0.058 0.000 2.156 451 L HA -0.041 4.304 4.340 0.009 0.000 0.208 451 L C 0.911 177.771 176.870 -0.015 0.000 1.095 451 L CA 0.817 55.661 54.840 0.007 0.000 0.770 451 L CB -0.123 41.928 42.059 -0.013 0.000 0.914 451 L HN 0.362 nan 8.230 nan 0.000 0.439 452 C N 0.886 120.189 119.300 0.004 0.000 3.273 452 C HA 0.305 4.771 4.460 0.009 0.000 0.227 452 C C -2.192 172.810 174.990 0.020 0.000 1.409 452 C CA -1.361 57.658 59.018 0.003 0.000 1.516 452 C CB -0.329 27.411 27.740 -0.000 0.000 1.853 452 C HN 0.115 nan 8.230 nan 0.000 0.472 453 P HA 0.140 nan 4.420 nan 0.000 0.273 453 P C 0.722 178.047 177.300 0.042 0.000 1.428 453 P CA 0.393 63.512 63.100 0.033 0.000 0.995 453 P CB 0.479 32.200 31.700 0.036 0.000 1.286 454 L N 2.477 123.722 121.223 0.036 0.000 2.275 454 L HA -0.055 4.290 4.340 0.009 0.000 0.215 454 L C 1.731 178.643 176.870 0.070 0.000 1.119 454 L CA 0.857 55.750 54.840 0.088 0.000 0.790 454 L CB -0.264 41.878 42.059 0.137 0.000 0.919 454 L HN 0.346 nan 8.230 nan 0.000 0.443 455 L N -0.546 120.651 121.223 -0.042 0.000 2.667 455 L HA 0.039 4.384 4.340 0.009 0.000 0.232 455 L C 1.960 178.907 176.870 0.128 0.000 1.138 455 L CA 0.457 55.277 54.840 -0.033 0.000 0.921 455 L CB -0.206 41.731 42.059 -0.203 0.000 1.180 455 L HN 0.190 nan 8.230 nan 0.000 0.487 456 E N 0.688 120.947 120.200 0.099 0.000 2.118 456 E HA -0.229 4.126 4.350 0.009 0.000 0.195 456 E C 1.894 178.533 176.600 0.065 0.000 0.992 456 E CA 1.376 57.828 56.400 0.086 0.000 0.804 456 E CB 0.221 29.956 29.700 0.059 0.000 0.741 456 E HN 0.289 nan 8.360 nan 0.000 0.458 457 Q N -0.570 119.240 119.800 0.017 0.000 2.437 457 Q HA -0.106 4.240 4.340 0.009 0.000 0.210 457 Q C 0.941 176.813 176.000 -0.212 0.000 0.972 457 Q CA 0.875 56.613 55.803 -0.109 0.000 0.903 457 Q CB -0.024 28.604 28.738 -0.183 0.000 0.967 457 Q HN 0.604 nan 8.270 nan 0.000 0.486 458 H N -1.039 118.069 119.070 0.062 0.000 2.549 458 H HA 0.293 4.855 4.556 0.009 0.000 0.279 458 H C 0.194 175.601 175.328 0.132 0.000 1.018 458 H CA -0.006 56.092 56.048 0.083 0.000 1.175 458 H CB 0.872 30.655 29.762 0.035 0.000 1.485 458 H HN 0.098 nan 8.280 nan 0.000 0.543 459 I N 1.705 122.388 120.570 0.188 0.000 2.404 459 I HA 0.245 4.420 4.170 0.009 0.000 0.293 459 I C 0.070 176.245 176.117 0.096 0.000 0.992 459 I CA -0.695 60.706 61.300 0.168 0.000 1.149 459 I CB 1.921 40.026 38.000 0.174 0.000 1.315 459 I HN -0.167 nan 8.210 nan 0.000 0.446 460 R N 6.802 127.345 120.500 0.072 0.000 2.230 460 R HA 0.259 4.605 4.340 0.009 0.000 0.337 460 R C -1.912 174.412 176.300 0.041 0.000 1.063 460 R CA -1.459 54.664 56.100 0.038 0.000 0.935 460 R CB 0.748 31.054 30.300 0.010 0.000 1.121 460 R HN 0.344 nan 8.270 nan 0.000 0.486 461 P HA -0.161 nan 4.420 nan 0.000 0.218 461 P C 0.604 177.930 177.300 0.043 0.000 1.149 461 P CA 1.099 64.231 63.100 0.054 0.000 0.817 461 P CB 0.433 32.162 31.700 0.049 0.000 0.785 462 E N -0.529 119.687 120.200 0.026 0.000 2.099 462 E HA -0.048 4.307 4.350 0.009 0.000 0.191 462 E C 1.933 178.534 176.600 0.002 0.000 0.962 462 E CA 0.764 57.175 56.400 0.017 0.000 0.826 462 E CB -0.375 29.331 29.700 0.010 0.000 0.788 462 E HN 0.243 nan 8.360 nan 0.000 0.461 463 K N 0.901 121.294 120.400 -0.011 0.000 2.025 463 K HA -0.149 4.177 4.320 0.009 0.000 0.207 463 K C 1.522 178.078 176.600 -0.073 0.000 1.049 463 K CA 1.635 57.900 56.287 -0.036 0.000 0.933 463 K CB 0.146 32.621 32.500 -0.042 0.000 0.714 463 K HN -0.086 nan 8.250 nan 0.000 0.438 464 D N 0.395 120.744 120.400 -0.086 0.000 2.123 464 D HA -0.150 4.495 4.640 0.009 0.000 0.200 464 D C 1.718 177.911 176.300 -0.179 0.000 0.976 464 D CA 0.959 54.827 54.000 -0.220 0.000 0.831 464 D CB -0.072 40.662 40.800 -0.109 0.000 0.974 464 D HN 0.247 nan 8.370 nan 0.000 0.469 465 K N 0.778 121.204 120.400 0.044 0.000 2.032 465 K HA -0.189 4.137 4.320 0.009 0.000 0.209 465 K C 2.002 178.640 176.600 0.062 0.000 1.048 465 K CA 1.249 57.618 56.287 0.136 0.000 0.927 465 K CB 0.039 32.595 32.500 0.093 0.000 0.712 465 K HN 0.101 nan 8.250 nan 0.000 0.441 466 Q N -0.835 118.969 119.800 0.007 0.000 2.124 466 Q HA -0.234 4.112 4.340 0.009 0.000 0.202 466 Q C 2.103 178.079 176.000 -0.040 0.000 0.977 466 Q CA 1.892 57.689 55.803 -0.009 0.000 0.850 466 Q CB -0.217 28.514 28.738 -0.012 0.000 0.901 466 Q HN 0.553 nan 8.270 nan 0.000 0.429 467 H N -0.161 118.800 119.070 -0.183 0.000 2.326 467 H HA -0.134 4.428 4.556 0.009 0.000 0.301 467 H C 1.495 176.708 175.328 -0.192 0.000 1.081 467 H CA 1.690 57.587 56.048 -0.252 0.000 1.334 467 H CB -0.111 29.395 29.762 -0.426 0.000 1.385 467 H HN 0.115 nan 8.280 nan 0.000 0.504 468 F N 0.542 120.432 119.950 -0.101 0.000 2.171 468 F HA -0.021 4.512 4.527 0.009 0.000 0.300 468 F C 2.766 178.461 175.800 -0.174 0.000 1.090 468 F CA 1.039 58.943 58.000 -0.160 0.000 1.293 468 F CB -1.138 37.816 39.000 -0.078 0.000 1.013 468 F HN 0.369 nan 8.300 nan 0.000 0.486 469 A N -0.871 121.978 122.820 0.048 0.000 1.877 469 A HA -0.199 4.127 4.320 0.009 0.000 0.216 469 A C 2.437 179.989 177.584 -0.053 0.000 1.186 469 A CA 1.960 53.994 52.037 -0.005 0.000 0.620 469 A CB -1.298 17.702 19.000 -0.001 0.000 0.822 469 A HN 0.323 nan 8.150 nan 0.000 0.443 470 S N -0.398 115.244 115.700 -0.095 0.000 2.383 470 S HA -0.137 4.339 4.470 0.009 0.000 0.229 470 S C 2.198 176.716 174.600 -0.137 0.000 1.030 470 S CA 2.004 60.138 58.200 -0.111 0.000 1.002 470 S CB -0.414 62.711 63.200 -0.125 0.000 0.829 470 S HN 0.551 nan 8.310 nan 0.000 0.467 471 S N 1.290 116.860 115.700 -0.216 0.000 2.368 471 S HA 0.089 4.565 4.470 0.009 0.000 0.224 471 S C 2.256 176.810 174.600 -0.076 0.000 1.029 471 S CA 0.951 59.042 58.200 -0.182 0.000 0.988 471 S CB -0.691 62.353 63.200 -0.261 0.000 0.838 471 S HN 0.723 nan 8.310 nan 0.000 0.462 472 A N 1.601 124.388 122.820 -0.056 0.000 1.940 472 A HA -0.185 4.140 4.320 0.009 0.000 0.219 472 A C 2.145 179.714 177.584 -0.025 0.000 1.176 472 A CA 1.340 53.357 52.037 -0.032 0.000 0.631 472 A CB -0.525 18.454 19.000 -0.036 0.000 0.814 472 A HN 0.518 nan 8.150 nan 0.000 0.446 473 Q N -0.785 118.995 119.800 -0.034 0.000 2.083 473 Q HA -0.192 4.154 4.340 0.009 0.000 0.198 473 Q C 2.297 178.282 176.000 -0.025 0.000 0.969 473 Q CA 1.464 57.251 55.803 -0.027 0.000 0.838 473 Q CB -0.270 28.450 28.738 -0.029 0.000 0.900 473 Q HN 0.792 nan 8.270 nan 0.000 0.436 474 Q N 0.548 120.328 119.800 -0.033 0.000 2.061 474 Q HA -0.154 4.192 4.340 0.009 0.000 0.204 474 Q C 2.181 178.171 176.000 -0.017 0.000 0.984 474 Q CA 1.196 56.982 55.803 -0.028 0.000 0.846 474 Q CB -0.140 28.577 28.738 -0.035 0.000 0.902 474 Q HN 0.332 nan 8.270 nan 0.000 0.421 475 L N -0.393 120.831 121.223 0.003 0.000 2.217 475 L HA -0.057 4.289 4.340 0.009 0.000 0.211 475 L C 2.342 179.231 176.870 0.032 0.000 1.107 475 L CA 0.796 55.662 54.840 0.045 0.000 0.783 475 L CB -0.547 41.561 42.059 0.082 0.000 0.919 475 L HN 0.315 nan 8.230 nan 0.000 0.442 476 G N -0.470 108.338 108.800 0.013 0.000 2.418 476 G HA2 -0.217 3.748 3.960 0.009 0.000 0.217 476 G HA3 -0.217 3.748 3.960 0.009 0.000 0.217 476 G C 1.486 176.379 174.900 -0.012 0.000 1.158 476 G CA 0.415 45.520 45.100 0.008 0.000 0.771 476 G HN 0.243 nan 8.290 nan 0.000 0.545 477 E N 0.557 120.742 120.200 -0.025 0.000 2.047 477 E HA -0.026 4.330 4.350 0.009 0.000 0.191 477 E C 2.623 179.180 176.600 -0.072 0.000 0.987 477 E CA 0.410 56.787 56.400 -0.039 0.000 0.799 477 E CB -0.322 29.357 29.700 -0.035 0.000 0.752 477 E HN 0.520 nan 8.360 nan 0.000 0.449 478 I N 1.772 122.280 120.570 -0.104 0.000 2.286 478 I HA -0.278 3.898 4.170 0.009 0.000 0.248 478 I C 2.533 178.480 176.117 -0.284 0.000 1.115 478 I CA 1.421 62.589 61.300 -0.220 0.000 1.392 478 I CB -0.407 37.414 38.000 -0.298 0.000 1.065 478 I HN 0.062 nan 8.210 nan 0.000 0.418 479 S N 0.864 116.468 115.700 -0.159 0.000 2.419 479 S HA -0.204 4.271 4.470 0.009 0.000 0.235 479 S C 1.891 176.454 174.600 -0.061 0.000 1.019 479 S CA 0.988 59.141 58.200 -0.078 0.000 0.982 479 S CB -0.424 62.809 63.200 0.056 0.000 0.789 479 S HN 0.433 nan 8.310 nan 0.000 0.490 480 K N 1.260 121.626 120.400 -0.058 0.000 2.365 480 K HA 0.005 4.331 4.320 0.009 0.000 0.199 480 K C 1.779 178.352 176.600 -0.045 0.000 1.045 480 K CA 1.074 57.340 56.287 -0.036 0.000 0.962 480 K CB -0.070 32.413 32.500 -0.028 0.000 0.759 480 K HN 0.683 nan 8.250 nan 0.000 0.469 481 R N -1.088 119.363 120.500 -0.080 0.000 2.662 481 R HA 0.334 4.680 4.340 0.009 0.000 0.396 481 R C 0.708 176.957 176.300 -0.085 0.000 1.096 481 R CA 0.027 56.087 56.100 -0.068 0.000 1.081 481 R CB 0.660 30.923 30.300 -0.061 0.000 1.382 481 R HN -0.083 nan 8.270 nan 0.000 0.580 482 A N 0.803 123.561 122.820 -0.103 0.000 2.348 482 A HA 0.496 4.822 4.320 0.009 0.000 0.224 482 A C 1.275 178.896 177.584 0.063 0.000 1.227 482 A CA 0.208 52.193 52.037 -0.087 0.000 0.885 482 A CB -0.025 18.816 19.000 -0.266 0.000 0.933 482 A HN 0.592 nan 8.150 nan 0.000 0.506 483 G N 0.596 109.413 108.800 0.028 0.000 2.651 483 G HA2 -0.397 3.568 3.960 0.009 0.000 0.315 483 G HA3 -0.397 3.568 3.960 0.009 0.000 0.315 483 G C 0.734 175.639 174.900 0.008 0.000 1.258 483 G CA 0.698 45.807 45.100 0.015 0.000 1.002 483 G HN 0.452 nan 8.290 nan 0.000 0.551 484 E N -0.108 120.043 120.200 -0.081 0.000 2.409 484 E HA 0.001 4.357 4.350 0.009 0.000 0.198 484 E C 1.655 178.148 176.600 -0.179 0.000 1.024 484 E CA 0.877 57.161 56.400 -0.192 0.000 0.861 484 E CB -0.055 29.422 29.700 -0.372 0.000 0.788 484 E HN 0.557 nan 8.360 nan 0.000 0.521 485 Y N -0.769 119.622 120.300 0.152 0.000 2.457 485 Y HA 0.238 4.793 4.550 0.009 0.000 0.263 485 Y C 1.907 177.897 175.900 0.150 0.000 1.164 485 Y CA 0.039 58.226 58.100 0.145 0.000 1.274 485 Y CB 0.021 38.598 38.460 0.195 0.000 1.097 485 Y HN 0.022 nan 8.280 nan 0.000 0.523 486 A N 0.403 123.389 122.820 0.278 0.000 1.917 486 A HA -0.291 4.034 4.320 0.009 0.000 0.219 486 A C 1.987 179.706 177.584 0.225 0.000 1.182 486 A CA 2.185 54.364 52.037 0.237 0.000 0.633 486 A CB -1.349 17.734 19.000 0.138 0.000 0.819 486 A HN 0.686 nan 8.150 nan 0.000 0.448 487 Y N 0.732 121.099 120.300 0.111 0.000 2.241 487 Y HA -0.219 4.337 4.550 0.009 0.000 0.286 487 Y C 1.849 177.797 175.900 0.081 0.000 1.166 487 Y CA 1.160 59.304 58.100 0.073 0.000 1.203 487 Y CB -1.073 37.403 38.460 0.028 0.000 0.977 487 Y HN 0.442 nan 8.280 nan 0.000 0.529 488 I N -3.492 116.705 120.570 -0.621 0.000 2.617 488 I HA -0.025 4.150 4.170 0.009 0.000 0.256 488 I C 1.508 177.378 176.117 -0.411 0.000 1.167 488 I CA 1.019 61.992 61.300 -0.544 0.000 1.469 488 I CB -0.687 36.909 38.000 -0.672 0.000 1.098 488 I HN 0.069 nan 8.210 nan 0.000 0.436 489 F N 1.934 121.787 119.950 -0.162 0.000 2.234 489 F HA -0.045 4.488 4.527 0.009 0.000 0.296 489 F C 2.584 178.366 175.800 -0.030 0.000 1.089 489 F CA 1.527 59.465 58.000 -0.104 0.000 1.343 489 F CB -0.462 38.461 39.000 -0.129 0.000 1.040 489 F HN 0.118 nan 8.300 nan 0.000 0.498 490 E N 0.459 120.749 120.200 0.150 0.000 2.051 490 E HA -0.169 4.186 4.350 0.009 0.000 0.192 490 E C 2.032 178.704 176.600 0.120 0.000 0.991 490 E CA 2.205 58.677 56.400 0.120 0.000 0.799 490 E CB -0.633 29.138 29.700 0.118 0.000 0.748 490 E HN 0.224 nan 8.360 nan 0.000 0.449 491 T N 1.048 115.672 114.554 0.118 0.000 2.635 491 T HA -0.186 4.170 4.350 0.009 0.000 0.267 491 T C 1.680 176.525 174.700 0.243 0.000 1.040 491 T CA 1.627 63.850 62.100 0.205 0.000 1.156 491 T CB -0.267 68.719 68.868 0.197 0.000 0.863 491 T HN 0.201 nan 8.240 nan 0.000 0.430 492 Q N 0.623 120.493 119.800 0.116 0.000 2.119 492 Q HA 0.076 4.422 4.340 0.009 0.000 0.201 492 Q C 2.711 178.733 176.000 0.036 0.000 0.972 492 Q CA 1.410 57.252 55.803 0.064 0.000 0.847 492 Q CB -0.785 27.953 28.738 -0.001 0.000 0.903 492 Q HN 0.592 nan 8.270 nan 0.000 0.433 493 A N 1.193 124.048 122.820 0.059 0.000 1.877 493 A HA -0.237 4.089 4.320 0.009 0.000 0.216 493 A C 2.122 179.705 177.584 -0.002 0.000 1.186 493 A CA 1.567 53.623 52.037 0.031 0.000 0.620 493 A CB -0.539 18.491 19.000 0.049 0.000 0.822 493 A HN 0.388 nan 8.150 nan 0.000 0.443 494 Q N -1.231 118.593 119.800 0.040 0.000 2.124 494 Q HA -0.160 4.186 4.340 0.009 0.000 0.202 494 Q C 2.108 178.001 176.000 -0.179 0.000 0.977 494 Q CA 1.411 57.221 55.803 0.013 0.000 0.850 494 Q CB -0.328 28.516 28.738 0.176 0.000 0.901 494 Q HN 0.592 nan 8.270 nan 0.000 0.429 495 L N 1.367 122.441 121.223 -0.248 0.000 2.017 495 L HA -0.173 4.172 4.340 0.009 0.000 0.208 495 L C 1.723 178.313 176.870 -0.467 0.000 1.073 495 L CA 1.754 56.214 54.840 -0.634 0.000 0.745 495 L CB -0.649 41.091 42.059 -0.533 0.000 0.894 495 L HN 0.165 nan 8.230 nan 0.000 0.432 496 N N -0.098 118.443 118.700 -0.264 0.000 2.120 496 N HA -0.161 4.585 4.740 0.009 0.000 0.188 496 N C 1.776 177.172 175.510 -0.189 0.000 1.024 496 N CA 1.545 54.474 53.050 -0.201 0.000 0.852 496 N CB -0.194 38.268 38.487 -0.042 0.000 1.003 496 N HN 0.531 nan 8.380 nan 0.000 0.424 497 A N 1.460 124.188 122.820 -0.154 0.000 1.902 497 A HA -0.123 4.202 4.320 0.009 0.000 0.217 497 A C 2.212 179.685 177.584 -0.185 0.000 1.181 497 A CA 0.939 52.900 52.037 -0.127 0.000 0.623 497 A CB -0.696 18.248 19.000 -0.092 0.000 0.818 497 A HN 0.227 nan 8.150 nan 0.000 0.443 498 L N -0.074 120.982 121.223 -0.278 0.000 2.042 498 L HA -0.127 4.219 4.340 0.009 0.000 0.210 498 L C 2.259 178.920 176.870 -0.350 0.000 1.076 498 L CA 1.725 56.367 54.840 -0.330 0.000 0.749 498 L CB -0.646 41.123 42.059 -0.483 0.000 0.893 498 L HN 0.421 nan 8.230 nan 0.000 0.432 499 L N -0.875 120.071 121.223 -0.463 0.000 2.093 499 L HA -0.154 4.192 4.340 0.009 0.000 0.208 499 L C 2.673 179.354 176.870 -0.316 0.000 1.085 499 L CA 1.056 55.561 54.840 -0.558 0.000 0.755 499 L CB -1.006 40.379 42.059 -1.123 0.000 0.904 499 L HN 0.365 nan 8.230 nan 0.000 0.435 500 A N 0.250 122.967 122.820 -0.171 0.000 1.883 500 A HA -0.250 4.075 4.320 0.009 0.000 0.217 500 A C 2.224 179.783 177.584 -0.042 0.000 1.186 500 A CA 1.922 53.963 52.037 0.006 0.000 0.624 500 A CB -0.759 18.262 19.000 0.036 0.000 0.822 500 A HN 0.318 nan 8.150 nan 0.000 0.444 501 L N -0.280 120.886 121.223 -0.095 0.000 2.056 501 L HA -0.075 4.271 4.340 0.009 0.000 0.207 501 L C 2.290 179.084 176.870 -0.126 0.000 1.078 501 L CA 2.550 57.330 54.840 -0.101 0.000 0.749 501 L CB -0.533 41.456 42.059 -0.117 0.000 0.901 501 L HN 0.459 nan 8.230 nan 0.000 0.433 502 K N -0.503 119.801 120.400 -0.159 0.000 2.097 502 K HA -0.152 4.174 4.320 0.009 0.000 0.206 502 K C 2.081 178.618 176.600 -0.105 0.000 1.049 502 K CA 1.705 57.895 56.287 -0.162 0.000 0.933 502 K CB -0.185 32.200 32.500 -0.190 0.000 0.717 502 K HN 0.394 nan 8.250 nan 0.000 0.442 503 I N 0.211 120.743 120.570 -0.064 0.000 2.179 503 I HA -0.283 3.892 4.170 0.009 0.000 0.242 503 I C 2.514 178.633 176.117 0.002 0.000 1.088 503 I CA 1.177 62.477 61.300 0.000 0.000 1.357 503 I CB -0.367 37.674 38.000 0.068 0.000 1.051 503 I HN 0.249 nan 8.210 nan 0.000 0.409 504 S N 1.035 116.730 115.700 -0.008 0.000 2.370 504 S HA -0.180 4.296 4.470 0.009 0.000 0.226 504 S C 2.027 176.621 174.600 -0.010 0.000 1.033 504 S CA 1.530 59.733 58.200 0.004 0.000 1.011 504 S CB -0.312 62.887 63.200 -0.002 0.000 0.852 504 S HN 0.330 nan 8.310 nan 0.000 0.457 505 I N 0.595 121.119 120.570 -0.077 0.000 2.233 505 I HA -0.109 4.066 4.170 0.009 0.000 0.243 505 I C 2.634 178.712 176.117 -0.065 0.000 1.093 505 I CA 1.393 62.617 61.300 -0.128 0.000 1.380 505 I CB -0.810 36.995 38.000 -0.325 0.000 1.067 505 I HN 0.303 nan 8.210 nan 0.000 0.413 506 T N 0.151 114.671 114.554 -0.055 0.000 2.708 506 T HA -0.140 4.216 4.350 0.009 0.000 0.266 506 T C 2.100 176.819 174.700 0.031 0.000 1.037 506 T CA 1.874 63.971 62.100 -0.005 0.000 1.146 506 T CB -0.172 68.693 68.868 -0.005 0.000 0.865 506 T HN 0.255 nan 8.240 nan 0.000 0.435 507 S N 0.871 116.593 115.700 0.037 0.000 2.387 507 S HA 0.025 4.501 4.470 0.009 0.000 0.226 507 S C 2.440 177.090 174.600 0.084 0.000 1.026 507 S CA 0.903 59.138 58.200 0.058 0.000 0.972 507 S CB -0.740 62.493 63.200 0.056 0.000 0.814 507 S HN 0.625 nan 8.310 nan 0.000 0.477 508 G N 1.753 110.610 108.800 0.095 0.000 2.422 508 G HA2 -0.142 3.823 3.960 0.009 0.000 0.218 508 G HA3 -0.142 3.823 3.960 0.009 0.000 0.218 508 G C 1.319 176.315 174.900 0.160 0.000 1.146 508 G CA 0.589 45.791 45.100 0.169 0.000 0.769 508 G HN 0.480 nan 8.290 nan 0.000 0.547 509 I N 0.163 120.796 120.570 0.104 0.000 2.252 509 I HA -0.167 4.009 4.170 0.009 0.000 0.245 509 I C 3.010 179.209 176.117 0.137 0.000 1.102 509 I CA 0.867 62.239 61.300 0.120 0.000 1.385 509 I CB -0.145 37.919 38.000 0.108 0.000 1.064 509 I HN 0.120 nan 8.210 nan 0.000 0.414 510 Q N 0.769 120.632 119.800 0.104 0.000 2.061 510 Q HA -0.275 4.071 4.340 0.009 0.000 0.204 510 Q C 2.206 178.291 176.000 0.141 0.000 0.984 510 Q CA 1.670 57.536 55.803 0.106 0.000 0.846 510 Q CB -0.426 28.356 28.738 0.073 0.000 0.902 510 Q HN 0.485 nan 8.270 nan 0.000 0.421 511 K N 0.133 120.612 120.400 0.132 0.000 2.026 511 K HA -0.074 4.251 4.320 0.009 0.000 0.208 511 K C 2.038 178.728 176.600 0.152 0.000 1.048 511 K CA 1.146 57.507 56.287 0.124 0.000 0.929 511 K CB -0.072 32.493 32.500 0.108 0.000 0.713 511 K HN 0.164 nan 8.250 nan 0.000 0.439 512 A N -0.134 122.816 122.820 0.217 0.000 1.969 512 A HA -0.167 4.159 4.320 0.009 0.000 0.218 512 A C 1.964 179.676 177.584 0.214 0.000 1.169 512 A CA 1.065 53.250 52.037 0.247 0.000 0.635 512 A CB -0.651 18.575 19.000 0.376 0.000 0.810 512 A HN 0.503 nan 8.150 nan 0.000 0.445 513 Y N 0.297 120.655 120.300 0.096 0.000 2.242 513 Y HA -0.145 4.410 4.550 0.009 0.000 0.291 513 Y C 2.494 178.422 175.900 0.047 0.000 1.137 513 Y CA 1.963 60.094 58.100 0.052 0.000 1.181 513 Y CB -0.249 38.192 38.460 -0.030 0.000 0.989 513 Y HN 0.321 nan 8.280 nan 0.000 0.527 514 R N 0.739 121.312 120.500 0.121 0.000 2.081 514 R HA -0.176 4.169 4.340 0.009 0.000 0.235 514 R C 1.293 177.587 176.300 -0.010 0.000 1.131 514 R CA 1.819 57.947 56.100 0.046 0.000 0.960 514 R CB -0.398 29.953 30.300 0.085 0.000 0.856 514 R HN 0.553 nan 8.270 nan 0.000 0.436 515 N N -0.808 117.902 118.700 0.017 0.000 2.322 515 N HA 0.084 4.830 4.740 0.009 0.000 0.194 515 N C 0.533 176.043 175.510 0.001 0.000 1.126 515 N CA 0.659 53.715 53.050 0.009 0.000 0.845 515 N CB 0.682 39.184 38.487 0.025 0.000 0.976 515 N HN 0.322 nan 8.380 nan 0.000 0.475 516 G N 0.293 109.077 108.800 -0.026 0.000 2.225 516 G HA2 -0.298 3.668 3.960 0.009 0.000 0.267 516 G HA3 -0.298 3.668 3.960 0.009 0.000 0.267 516 G C -0.523 174.407 174.900 0.049 0.000 1.024 516 G CA 0.311 45.405 45.100 -0.011 0.000 0.784 516 G HN 0.578 nan 8.290 nan 0.000 0.507 517 D N 0.235 120.688 120.400 0.089 0.000 2.522 517 D HA 0.296 4.941 4.640 0.009 0.000 0.218 517 D C 1.640 178.030 176.300 0.151 0.000 1.149 517 D CA -0.370 53.696 54.000 0.110 0.000 0.981 517 D CB 0.032 40.908 40.800 0.125 0.000 1.041 517 D HN 0.428 nan 8.370 nan 0.000 0.518 518 K N 1.183 121.644 120.400 0.102 0.000 2.211 518 K HA -0.090 4.236 4.320 0.009 0.000 0.203 518 K C 1.506 178.153 176.600 0.079 0.000 1.050 518 K CA 0.541 56.879 56.287 0.084 0.000 0.945 518 K CB 0.480 32.956 32.500 -0.041 0.000 0.732 518 K HN 0.326 nan 8.250 nan 0.000 0.451 519 E N 0.427 120.675 120.200 0.080 0.000 2.047 519 E HA -0.199 4.156 4.350 0.009 0.000 0.191 519 E C 1.951 178.635 176.600 0.139 0.000 0.987 519 E CA 1.144 57.594 56.400 0.084 0.000 0.799 519 E CB -0.203 29.539 29.700 0.070 0.000 0.752 519 E HN 0.468 nan 8.360 nan 0.000 0.449 520 H N 0.381 119.487 119.070 0.058 0.000 2.387 520 H HA -0.045 4.517 4.556 0.009 0.000 0.299 520 H C 2.342 177.730 175.328 0.100 0.000 1.090 520 H CA 0.908 56.999 56.048 0.071 0.000 1.332 520 H CB 0.132 29.936 29.762 0.070 0.000 1.386 520 H HN 0.074 nan 8.280 nan 0.000 0.516 521 L N -0.090 121.176 121.223 0.073 0.000 2.083 521 L HA -0.170 4.176 4.340 0.009 0.000 0.209 521 L C 2.826 179.722 176.870 0.043 0.000 1.083 521 L CA 0.939 55.811 54.840 0.053 0.000 0.752 521 L CB -0.335 41.831 42.059 0.178 0.000 0.899 521 L HN 0.194 nan 8.230 nan 0.000 0.433 522 S N -0.087 115.643 115.700 0.050 0.000 2.359 522 S HA -0.213 4.262 4.470 0.009 0.000 0.224 522 S C 2.216 176.837 174.600 0.035 0.000 1.035 522 S CA 1.325 59.546 58.200 0.034 0.000 1.018 522 S CB -0.322 62.896 63.200 0.030 0.000 0.876 522 S HN 0.514 nan 8.310 nan 0.000 0.448 523 A N 1.462 124.305 122.820 0.038 0.000 1.883 523 A HA -0.075 4.250 4.320 0.009 0.000 0.217 523 A C 2.140 179.747 177.584 0.039 0.000 1.186 523 A CA 1.371 53.435 52.037 0.045 0.000 0.624 523 A CB -0.846 18.203 19.000 0.082 0.000 0.822 523 A HN 0.459 nan 8.150 nan 0.000 0.444 524 L N -0.823 120.398 121.223 -0.003 0.000 2.012 524 L HA -0.222 4.124 4.340 0.009 0.000 0.210 524 L C 3.118 180.157 176.870 0.282 0.000 1.073 524 L CA 1.236 56.123 54.840 0.077 0.000 0.748 524 L CB -0.646 41.438 42.059 0.041 0.000 0.891 524 L HN 0.438 nan 8.230 nan 0.000 0.431 525 A N -0.447 122.498 122.820 0.208 0.000 1.933 525 A HA -0.172 4.154 4.320 0.009 0.000 0.218 525 A C 2.183 179.827 177.584 0.100 0.000 1.175 525 A CA 1.582 53.684 52.037 0.109 0.000 0.628 525 A CB -0.254 18.709 19.000 -0.063 0.000 0.814 525 A HN 0.378 nan 8.150 nan 0.000 0.444 526 E N -0.500 119.745 120.200 0.075 0.000 2.250 526 E HA 0.026 4.382 4.350 0.009 0.000 0.192 526 E C 1.690 178.328 176.600 0.062 0.000 0.986 526 E CA 0.908 57.338 56.400 0.050 0.000 0.849 526 E CB -0.037 29.680 29.700 0.028 0.000 0.797 526 E HN 0.678 nan 8.360 nan 0.000 0.482 527 K N 0.195 120.640 120.400 0.075 0.000 2.266 527 K HA 0.052 4.377 4.320 0.009 0.000 0.209 527 K C 1.517 178.154 176.600 0.061 0.000 1.065 527 K CA 0.711 57.032 56.287 0.058 0.000 0.946 527 K CB 0.241 32.767 32.500 0.044 0.000 1.069 527 K HN -0.114 nan 8.250 nan 0.000 0.472 528 D N 0.653 121.090 120.400 0.062 0.000 2.123 528 D HA -0.074 4.571 4.640 0.009 0.000 0.200 528 D C 1.547 177.836 176.300 -0.019 0.000 0.976 528 D CA 0.981 54.979 54.000 -0.004 0.000 0.831 528 D CB -0.092 40.670 40.800 -0.063 0.000 0.974 528 D HN -0.004 nan 8.370 nan 0.000 0.469 529 F N 0.697 120.648 119.950 0.002 0.000 2.069 529 F HA -0.066 4.466 4.527 0.009 0.000 0.298 529 F C -0.626 175.197 175.800 0.038 0.000 1.113 529 F CA 1.101 59.112 58.000 0.019 0.000 1.214 529 F CB -1.373 37.632 39.000 0.007 0.000 0.978 529 F HN 0.043 nan 8.300 nan 0.000 0.474 530 P HA -0.235 nan 4.420 nan 0.000 0.215 530 P C 1.438 178.806 177.300 0.114 0.000 1.153 530 P CA 1.687 64.859 63.100 0.120 0.000 0.853 530 P CB -0.165 31.575 31.700 0.066 0.000 0.788 531 Q N -0.789 119.052 119.800 0.068 0.000 2.084 531 Q HA -0.187 4.159 4.340 0.009 0.000 0.202 531 Q C 2.033 178.041 176.000 0.014 0.000 0.978 531 Q CA 1.217 57.038 55.803 0.031 0.000 0.844 531 Q CB -0.692 28.047 28.738 0.001 0.000 0.898 531 Q HN 0.086 nan 8.270 nan 0.000 0.426 532 L N -0.222 120.994 121.223 -0.012 0.000 2.017 532 L HA -0.185 4.161 4.340 0.009 0.000 0.208 532 L C 2.119 178.996 176.870 0.012 0.000 1.073 532 L CA 1.877 56.683 54.840 -0.057 0.000 0.745 532 L CB -0.824 41.142 42.059 -0.156 0.000 0.894 532 L HN 0.334 nan 8.230 nan 0.000 0.432 533 Y N -0.130 120.159 120.300 -0.019 0.000 2.181 533 Y HA -0.322 4.233 4.550 0.009 0.000 0.288 533 Y C 2.781 178.673 175.900 -0.014 0.000 1.146 533 Y CA 2.185 60.289 58.100 0.006 0.000 1.164 533 Y CB -0.204 38.287 38.460 0.053 0.000 0.982 533 Y HN 0.409 nan 8.280 nan 0.000 0.515 534 Q N 0.186 120.095 119.800 0.181 0.000 2.084 534 Q HA -0.207 4.139 4.340 0.009 0.000 0.202 534 Q C 2.101 178.095 176.000 -0.009 0.000 0.978 534 Q CA 2.338 58.194 55.803 0.090 0.000 0.844 534 Q CB -0.375 28.412 28.738 0.082 0.000 0.898 534 Q HN 0.596 nan 8.270 nan 0.000 0.426 535 M N -1.230 118.349 119.600 -0.035 0.000 2.296 535 M HA -0.123 4.363 4.480 0.009 0.000 0.265 535 M C 1.866 178.097 176.300 -0.115 0.000 1.064 535 M CA 0.809 56.067 55.300 -0.071 0.000 1.109 535 M CB 0.051 32.596 32.600 -0.092 0.000 1.396 535 M HN 0.063 nan 8.290 nan 0.000 0.430 536 V N 0.225 120.035 119.914 -0.174 0.000 2.379 536 V HA -0.198 3.928 4.120 0.009 0.000 0.245 536 V C 2.102 178.031 176.094 -0.274 0.000 1.044 536 V CA 1.673 63.818 62.300 -0.258 0.000 1.036 536 V CB -0.620 31.017 31.823 -0.309 0.000 0.664 536 V HN 0.452 nan 8.190 nan 0.000 0.453 537 E N 0.108 120.161 120.200 -0.245 0.000 2.058 537 E HA -0.248 4.108 4.350 0.009 0.000 0.194 537 E C 1.975 178.503 176.600 -0.120 0.000 0.997 537 E CA 1.593 57.883 56.400 -0.185 0.000 0.801 537 E CB -0.238 29.397 29.700 -0.109 0.000 0.746 537 E HN 0.590 nan 8.360 nan 0.000 0.450 538 D N 0.282 120.638 120.400 -0.072 0.000 2.144 538 D HA -0.152 4.494 4.640 0.009 0.000 0.199 538 D C 1.684 177.965 176.300 -0.031 0.000 0.984 538 D CA 0.705 54.685 54.000 -0.034 0.000 0.834 538 D CB -0.346 40.450 40.800 -0.006 0.000 0.955 538 D HN 0.085 nan 8.370 nan 0.000 0.465 539 F N 1.425 121.250 119.950 -0.209 0.000 2.134 539 F HA -0.183 4.350 4.527 0.009 0.000 0.299 539 F C 2.517 178.174 175.800 -0.239 0.000 1.097 539 F CA 1.385 59.239 58.000 -0.243 0.000 1.264 539 F CB -0.401 38.368 39.000 -0.384 0.000 1.001 539 F HN -0.144 nan 8.300 nan 0.000 0.479 540 S N -0.095 115.324 115.700 -0.469 0.000 2.382 540 S HA -0.206 4.270 4.470 0.009 0.000 0.228 540 S C 1.841 176.396 174.600 -0.075 0.000 1.027 540 S CA 1.867 59.839 58.200 -0.381 0.000 0.991 540 S CB -0.597 62.428 63.200 -0.292 0.000 0.823 540 S HN 0.477 nan 8.310 nan 0.000 0.469 541 D N 0.639 120.988 120.400 -0.085 0.000 2.117 541 D HA -0.075 4.571 4.640 0.009 0.000 0.198 541 D C 2.114 178.399 176.300 -0.026 0.000 0.982 541 D CA 1.245 55.227 54.000 -0.029 0.000 0.828 541 D CB -0.595 40.191 40.800 -0.024 0.000 0.967 541 D HN 0.463 nan 8.370 nan 0.000 0.464 542 Q N -0.054 119.708 119.800 -0.063 0.000 2.046 542 Q HA -0.117 4.229 4.340 0.009 0.000 0.200 542 Q C 1.956 177.933 176.000 -0.039 0.000 0.975 542 Q CA 1.046 56.826 55.803 -0.038 0.000 0.836 542 Q CB -0.760 27.964 28.738 -0.023 0.000 0.896 542 Q HN 0.272 nan 8.270 nan 0.000 0.428 543 F N 0.337 120.114 119.950 -0.288 0.000 2.126 543 F HA -0.210 4.322 4.527 0.009 0.000 0.299 543 F C 2.101 177.955 175.800 0.090 0.000 1.096 543 F CA 1.900 59.822 58.000 -0.130 0.000 1.255 543 F CB -0.505 38.378 39.000 -0.196 0.000 0.997 543 F HN 0.054 nan 8.300 nan 0.000 0.479 544 S N 0.260 115.997 115.700 0.061 0.000 2.368 544 S HA -0.174 4.301 4.470 0.009 0.000 0.225 544 S C 1.971 176.570 174.600 -0.002 0.000 1.030 544 S CA 1.227 59.442 58.200 0.026 0.000 0.999 544 S CB -0.321 62.912 63.200 0.056 0.000 0.844 544 S HN 0.390 nan 8.310 nan 0.000 0.459 545 R N 1.093 121.586 120.500 -0.010 0.000 2.083 545 R HA -0.169 4.177 4.340 0.009 0.000 0.237 545 R C 2.668 178.956 176.300 -0.020 0.000 1.137 545 R CA 1.649 57.741 56.100 -0.014 0.000 0.951 545 R CB -0.416 29.882 30.300 -0.004 0.000 0.851 545 R HN 0.505 nan 8.270 nan 0.000 0.434 546 Q N 0.179 119.986 119.800 0.011 0.000 2.061 546 Q HA -0.237 4.109 4.340 0.009 0.000 0.204 546 Q C 1.927 177.936 176.000 0.014 0.000 0.984 546 Q CA 1.653 57.525 55.803 0.114 0.000 0.846 546 Q CB -0.239 28.562 28.738 0.106 0.000 0.902 546 Q HN 0.527 nan 8.270 nan 0.000 0.421 547 W N 1.288 122.381 121.300 -0.345 0.000 2.355 547 W HA -0.196 4.469 4.660 0.009 0.000 0.309 547 W C 1.599 178.047 176.519 -0.119 0.000 1.206 547 W CA 1.753 58.930 57.345 -0.279 0.000 1.284 547 W CB -0.217 29.022 29.460 -0.369 0.000 1.145 547 W HN 0.356 nan 8.180 nan 0.000 0.502 548 Q N -0.125 119.781 119.800 0.177 0.000 2.224 548 Q HA -0.261 4.085 4.340 0.009 0.000 0.203 548 Q C 2.082 178.068 176.000 -0.022 0.000 0.970 548 Q CA 1.626 57.489 55.803 0.101 0.000 0.865 548 Q CB -0.323 28.459 28.738 0.074 0.000 0.922 548 Q HN 0.212 nan 8.270 nan 0.000 0.445 549 Q N 1.322 121.076 119.800 -0.077 0.000 2.124 549 Q HA -0.174 4.171 4.340 0.009 0.000 0.202 549 Q C 1.074 177.036 176.000 -0.063 0.000 0.977 549 Q CA 1.729 57.445 55.803 -0.145 0.000 0.850 549 Q CB 0.227 28.747 28.738 -0.363 0.000 0.901 549 Q HN 0.414 nan 8.270 nan 0.000 0.429 550 E N -0.784 119.393 120.200 -0.038 0.000 2.290 550 E HA 0.138 4.494 4.350 0.009 0.000 0.197 550 E C -0.120 176.410 176.600 -0.118 0.000 0.948 550 E CA 0.055 56.462 56.400 0.013 0.000 0.895 550 E CB 0.410 30.153 29.700 0.072 0.000 0.865 550 E HN 0.238 nan 8.360 nan 0.000 0.486 551 N N 0.842 119.371 118.700 -0.286 0.000 2.380 551 N HA 0.240 4.985 4.740 0.009 0.000 0.290 551 N C -0.676 174.752 175.510 -0.137 0.000 1.236 551 N CA -0.544 52.288 53.050 -0.362 0.000 0.780 551 N CB 1.569 39.467 38.487 -0.981 0.000 1.438 551 N HN -0.130 nan 8.380 nan 0.000 0.491 552 K N 0.330 120.716 120.400 -0.022 0.000 2.234 552 K HA 0.077 4.403 4.320 0.009 0.000 0.251 552 K C 1.200 177.928 176.600 0.214 0.000 1.011 552 K CA -0.317 56.031 56.287 0.103 0.000 0.889 552 K CB 0.749 33.352 32.500 0.172 0.000 1.011 552 K HN 0.385 nan 8.250 nan 0.000 0.505 553 I N 1.170 121.779 120.570 0.066 0.000 2.439 553 I HA -0.098 4.077 4.170 0.009 0.000 0.251 553 I C 0.100 176.201 176.117 -0.026 0.000 1.139 553 I CA 0.798 62.092 61.300 -0.010 0.000 1.438 553 I CB -0.005 37.835 38.000 -0.266 0.000 1.085 553 I HN 0.319 nan 8.210 nan 0.000 0.427 554 F N 1.210 121.270 119.950 0.183 0.000 2.572 554 F HA 0.397 4.930 4.527 0.010 0.000 0.370 554 F C 1.729 177.655 175.800 0.210 0.000 1.103 554 F CA 0.830 58.917 58.000 0.144 0.000 1.286 554 F CB -0.082 38.981 39.000 0.106 0.000 1.105 554 F HN 0.202 nan 8.300 nan 0.000 0.583 555 G N 1.801 110.755 108.800 0.257 0.000 2.258 555 G HA2 -0.326 3.639 3.960 0.009 0.000 0.233 555 G HA3 -0.326 3.639 3.960 0.009 0.000 0.233 555 G C 0.905 175.695 174.900 -0.185 0.000 1.006 555 G CA 0.224 45.428 45.100 0.173 0.000 0.620 555 G HN 0.664 nan 8.290 nan 0.000 0.511 556 L N 2.399 123.359 121.223 -0.438 0.000 2.191 556 L HA 0.087 4.432 4.340 0.009 0.000 0.212 556 L C 2.577 179.153 176.870 -0.490 0.000 1.103 556 L CA 2.944 57.228 54.840 -0.927 0.000 0.769 556 L CB -0.561 40.947 42.059 -0.918 0.000 0.908 556 L HN 0.529 nan 8.230 nan 0.000 0.438 557 D N -2.299 117.926 120.400 -0.291 0.000 2.133 557 D HA -0.241 4.405 4.640 0.009 0.000 0.195 557 D C 1.747 177.896 176.300 -0.252 0.000 0.997 557 D CA 1.953 55.822 54.000 -0.219 0.000 0.840 557 D CB -0.949 39.764 40.800 -0.145 0.000 0.947 557 D HN 0.311 nan 8.370 nan 0.000 0.452 558 T N 0.604 114.997 114.554 -0.270 0.000 2.788 558 T HA -0.026 4.329 4.350 0.009 0.000 0.268 558 T C 2.116 176.541 174.700 -0.459 0.000 1.044 558 T CA 1.069 62.973 62.100 -0.328 0.000 1.139 558 T CB -0.223 68.481 68.868 -0.274 0.000 0.867 558 T HN 0.244 nan 8.240 nan 0.000 0.454 559 I N 0.812 121.091 120.570 -0.485 0.000 2.439 559 I HA -0.099 4.077 4.170 0.009 0.000 0.251 559 I C 2.236 178.001 176.117 -0.587 0.000 1.139 559 I CA 0.833 61.748 61.300 -0.642 0.000 1.438 559 I CB -0.296 37.315 38.000 -0.648 0.000 1.085 559 I HN 0.085 nan 8.210 nan 0.000 0.427 560 D N 1.288 121.485 120.400 -0.340 0.000 2.123 560 D HA -0.167 4.478 4.640 0.009 0.000 0.196 560 D C 2.245 178.458 176.300 -0.146 0.000 0.992 560 D CA 1.455 55.362 54.000 -0.155 0.000 0.833 560 D CB -0.148 40.579 40.800 -0.122 0.000 0.954 560 D HN 0.328 nan 8.370 nan 0.000 0.455 561 I N 0.532 120.964 120.570 -0.230 0.000 2.179 561 I HA -0.247 3.928 4.170 0.009 0.000 0.242 561 I C 2.546 178.525 176.117 -0.229 0.000 1.088 561 I CA 1.045 62.224 61.300 -0.202 0.000 1.357 561 I CB -0.083 37.776 38.000 -0.236 0.000 1.051 561 I HN -0.089 nan 8.210 nan 0.000 0.409 562 R N -0.061 120.154 120.500 -0.475 0.000 2.073 562 R HA -0.150 4.195 4.340 0.009 0.000 0.234 562 R C 2.327 178.646 176.300 0.032 0.000 1.134 562 R CA 1.523 57.315 56.100 -0.513 0.000 0.952 562 R CB -0.401 29.287 30.300 -1.020 0.000 0.850 562 R HN 0.168 nan 8.270 nan 0.000 0.433 563 F N 0.097 120.052 119.950 0.009 0.000 2.102 563 F HA -0.030 4.503 4.527 0.010 0.000 0.298 563 F C 2.579 178.389 175.800 0.017 0.000 1.105 563 F CA 1.289 59.320 58.000 0.052 0.000 1.239 563 F CB -1.377 37.620 39.000 -0.005 0.000 0.991 563 F HN 0.130 nan 8.300 nan 0.000 0.474 564 G N -0.334 108.575 108.800 0.182 0.000 2.442 564 G HA2 -0.185 3.781 3.960 0.009 0.000 0.219 564 G HA3 -0.185 3.781 3.960 0.009 0.000 0.219 564 G C 2.062 177.038 174.900 0.126 0.000 1.141 564 G CA 0.954 46.120 45.100 0.111 0.000 0.763 564 G HN 0.538 nan 8.290 nan 0.000 0.554 565 G N 0.740 109.629 108.800 0.148 0.000 2.402 565 G HA2 -0.117 3.849 3.960 0.009 0.000 0.216 565 G HA3 -0.117 3.849 3.960 0.009 0.000 0.216 565 G C 1.730 176.753 174.900 0.204 0.000 1.162 565 G CA 1.001 46.212 45.100 0.185 0.000 0.777 565 G HN 0.406 nan 8.290 nan 0.000 0.539 566 L N 0.586 121.957 121.223 0.247 0.000 2.012 566 L HA 0.036 4.381 4.340 0.009 0.000 0.210 566 L C 2.732 179.690 176.870 0.147 0.000 1.073 566 L CA 1.427 56.404 54.840 0.227 0.000 0.748 566 L CB -0.567 41.664 42.059 0.287 0.000 0.891 566 L HN 0.222 nan 8.230 nan 0.000 0.431 567 L N -0.565 120.709 121.223 0.085 0.000 1.989 567 L HA -0.272 4.073 4.340 0.009 0.000 0.211 567 L C 2.646 179.666 176.870 0.250 0.000 1.071 567 L CA 1.851 56.701 54.840 0.018 0.000 0.749 567 L CB -0.635 41.327 42.059 -0.162 0.000 0.890 567 L HN 0.245 nan 8.230 nan 0.000 0.431 568 K N -0.207 120.314 120.400 0.201 0.000 2.103 568 K HA -0.158 4.168 4.320 0.009 0.000 0.207 568 K C 2.234 178.932 176.600 0.163 0.000 1.048 568 K CA 1.205 57.603 56.287 0.185 0.000 0.930 568 K CB 0.025 32.607 32.500 0.135 0.000 0.716 568 K HN 0.035 nan 8.250 nan 0.000 0.444 569 R N 0.098 120.694 120.500 0.159 0.000 2.115 569 R HA 0.031 4.377 4.340 0.009 0.000 0.226 569 R C 2.259 178.664 176.300 0.174 0.000 1.100 569 R CA 1.011 57.195 56.100 0.141 0.000 0.980 569 R CB -0.491 29.887 30.300 0.131 0.000 0.875 569 R HN 0.334 nan 8.270 nan 0.000 0.445 570 I N 0.924 121.632 120.570 0.229 0.000 2.179 570 I HA -0.284 3.892 4.170 0.009 0.000 0.242 570 I C 2.255 178.553 176.117 0.301 0.000 1.088 570 I CA 1.420 62.918 61.300 0.330 0.000 1.357 570 I CB -0.206 38.010 38.000 0.359 0.000 1.051 570 I HN 0.101 nan 8.210 nan 0.000 0.409 571 K N 0.240 120.785 120.400 0.242 0.000 2.063 571 K HA -0.247 4.078 4.320 0.009 0.000 0.208 571 K C 2.259 178.865 176.600 0.010 0.000 1.048 571 K CA 1.408 57.744 56.287 0.083 0.000 0.928 571 K CB -0.181 32.358 32.500 0.064 0.000 0.713 571 K HN 0.048 nan 8.250 nan 0.000 0.442 572 R N 1.160 121.687 120.500 0.045 0.000 2.081 572 R HA -0.080 4.266 4.340 0.009 0.000 0.235 572 R C 1.932 178.211 176.300 -0.036 0.000 1.131 572 R CA 1.719 57.824 56.100 0.007 0.000 0.960 572 R CB -0.610 29.708 30.300 0.031 0.000 0.856 572 R HN 0.199 nan 8.270 nan 0.000 0.436 573 A N 0.227 123.044 122.820 -0.005 0.000 1.902 573 A HA -0.211 4.114 4.320 0.009 0.000 0.217 573 A C 2.163 179.538 177.584 -0.349 0.000 1.181 573 A CA 1.582 53.589 52.037 -0.051 0.000 0.623 573 A CB -0.673 18.439 19.000 0.187 0.000 0.818 573 A HN 0.583 nan 8.150 nan 0.000 0.443 574 Q N -0.565 118.889 119.800 -0.575 0.000 2.050 574 Q HA -0.239 4.107 4.340 0.009 0.000 0.202 574 Q C 2.118 177.907 176.000 -0.352 0.000 0.980 574 Q CA 1.845 57.181 55.803 -0.778 0.000 0.840 574 Q CB -0.185 28.170 28.738 -0.638 0.000 0.898 574 Q HN 0.804 nan 8.270 nan 0.000 0.424 575 E N -0.305 119.771 120.200 -0.207 0.000 2.058 575 E HA -0.225 4.131 4.350 0.009 0.000 0.194 575 E C 2.116 178.666 176.600 -0.084 0.000 0.997 575 E CA 0.858 57.188 56.400 -0.116 0.000 0.801 575 E CB 0.142 29.798 29.700 -0.073 0.000 0.746 575 E HN 0.226 nan 8.360 nan 0.000 0.450 576 R N 0.230 120.680 120.500 -0.084 0.000 2.081 576 R HA -0.114 4.231 4.340 0.009 0.000 0.235 576 R C 2.576 178.869 176.300 -0.012 0.000 1.131 576 R CA 0.874 56.946 56.100 -0.045 0.000 0.960 576 R CB -0.794 29.470 30.300 -0.060 0.000 0.856 576 R HN 0.334 nan 8.270 nan 0.000 0.436 577 L N 0.763 121.952 121.223 -0.057 0.000 2.046 577 L HA -0.164 4.181 4.340 0.009 0.000 0.208 577 L C 2.334 179.243 176.870 0.065 0.000 1.077 577 L CA 1.413 56.267 54.840 0.024 0.000 0.747 577 L CB -0.440 41.586 42.059 -0.056 0.000 0.896 577 L HN 0.235 nan 8.230 nan 0.000 0.432 578 E N -0.235 119.948 120.200 -0.028 0.000 2.110 578 E HA -0.257 4.099 4.350 0.009 0.000 0.193 578 E C 2.233 178.843 176.600 0.016 0.000 0.988 578 E CA 1.056 57.444 56.400 -0.020 0.000 0.804 578 E CB -0.065 29.599 29.700 -0.061 0.000 0.745 578 E HN 0.560 nan 8.360 nan 0.000 0.458 579 Q N -0.333 119.487 119.800 0.035 0.000 2.167 579 Q HA -0.157 4.188 4.340 0.009 0.000 0.202 579 Q C 1.924 177.993 176.000 0.115 0.000 0.970 579 Q CA 1.011 56.846 55.803 0.054 0.000 0.855 579 Q CB -0.119 28.647 28.738 0.046 0.000 0.911 579 Q HN 0.249 nan 8.270 nan 0.000 0.438 580 F N 0.998 120.952 119.950 0.008 0.000 2.128 580 F HA -0.108 4.425 4.527 0.009 0.000 0.295 580 F C 1.799 177.618 175.800 0.031 0.000 1.100 580 F CA 1.013 59.036 58.000 0.040 0.000 1.260 580 F CB -0.132 38.920 39.000 0.087 0.000 1.009 580 F HN -0.077 nan 8.300 nan 0.000 0.476 581 I N 0.181 120.719 120.570 -0.052 0.000 2.286 581 I HA -0.299 3.876 4.170 0.009 0.000 0.248 581 I C 2.392 178.423 176.117 -0.143 0.000 1.115 581 I CA 1.667 62.879 61.300 -0.147 0.000 1.392 581 I CB -0.627 37.358 38.000 -0.025 0.000 1.065 581 I HN 0.289 nan 8.210 nan 0.000 0.418 582 S N 0.110 115.762 115.700 -0.080 0.000 2.603 582 S HA 0.193 4.668 4.470 0.009 0.000 0.220 582 S C 1.661 176.220 174.600 -0.070 0.000 0.967 582 S CA 0.339 58.501 58.200 -0.063 0.000 0.920 582 S CB 0.212 63.392 63.200 -0.034 0.000 0.773 582 S HN 0.623 nan 8.310 nan 0.000 0.529 583 G N 1.030 109.770 108.800 -0.100 0.000 2.159 583 G HA2 -0.308 3.657 3.960 0.009 0.000 0.256 583 G HA3 -0.308 3.657 3.960 0.009 0.000 0.256 583 G C 0.685 175.571 174.900 -0.022 0.000 0.977 583 G CA 0.470 45.521 45.100 -0.082 0.000 0.652 583 G HN 0.551 nan 8.290 nan 0.000 0.531 584 Q N -0.443 119.357 119.800 0.000 0.000 2.123 584 Q HA 0.188 4.533 4.340 0.009 0.000 0.199 584 Q C 1.670 177.698 176.000 0.046 0.000 0.966 584 Q CA 1.440 57.254 55.803 0.019 0.000 0.845 584 Q CB 0.117 28.866 28.738 0.017 0.000 0.907 584 Q HN 0.942 nan 8.270 nan 0.000 0.439 585 I N -3.217 117.406 120.570 0.089 0.000 2.740 585 I HA 0.340 4.516 4.170 0.009 0.000 0.303 585 I C -0.392 175.851 176.117 0.210 0.000 1.044 585 I CA -0.892 60.485 61.300 0.128 0.000 1.064 585 I CB 1.902 39.981 38.000 0.132 0.000 1.249 585 I HN -0.251 nan 8.210 nan 0.000 0.433 586 D N 2.458 122.974 120.400 0.193 0.000 2.354 586 D HA 0.129 4.775 4.640 0.009 0.000 0.209 586 D C 0.298 176.817 176.300 0.364 0.000 1.015 586 D CA 0.747 54.885 54.000 0.230 0.000 0.867 586 D CB 0.460 41.338 40.800 0.130 0.000 0.933 586 D HN 0.763 nan 8.370 nan 0.000 0.520 587 C N -2.122 117.353 119.300 0.291 0.000 3.306 587 C HA 0.672 5.137 4.460 0.009 0.000 0.335 587 C C -1.070 173.916 174.990 -0.007 0.000 1.382 587 C CA -0.902 58.205 59.018 0.148 0.000 1.254 587 C CB 1.309 29.125 27.740 0.126 0.000 1.555 587 C HN -0.137 nan 8.230 nan 0.000 0.463 588 V N 2.735 122.536 119.914 -0.188 0.000 2.325 588 V HA 0.354 4.480 4.120 0.009 0.000 0.280 588 V C 0.577 176.507 176.094 -0.273 0.000 1.016 588 V CA 0.081 62.209 62.300 -0.288 0.000 0.818 588 V CB 0.867 32.375 31.823 -0.525 0.000 1.019 588 V HN 1.007 nan 8.190 nan 0.000 0.434 589 E N 2.009 122.128 120.200 -0.135 0.000 2.153 589 E HA -0.214 4.142 4.350 0.009 0.000 0.194 589 E C 1.654 178.182 176.600 -0.121 0.000 0.988 589 E CA 1.259 57.604 56.400 -0.091 0.000 0.811 589 E CB 0.054 29.726 29.700 -0.046 0.000 0.746 589 E HN 0.793 nan 8.360 nan 0.000 0.466 590 E N 0.529 120.640 120.200 -0.148 0.000 2.097 590 E HA -0.157 4.199 4.350 0.009 0.000 0.196 590 E C 1.669 178.163 176.600 -0.177 0.000 1.000 590 E CA 0.969 57.288 56.400 -0.135 0.000 0.804 590 E CB -0.186 29.438 29.700 -0.126 0.000 0.740 590 E HN 0.257 nan 8.360 nan 0.000 0.454 591 L N 0.936 121.958 121.223 -0.335 0.000 2.610 591 L HA -0.011 4.334 4.340 0.009 0.000 0.232 591 L C 1.480 178.218 176.870 -0.220 0.000 1.149 591 L CA 0.417 55.007 54.840 -0.418 0.000 0.872 591 L CB -0.109 41.349 42.059 -1.002 0.000 0.992 591 L HN 0.089 nan 8.230 nan 0.000 0.447 592 E N -0.504 119.623 120.200 -0.122 0.000 2.474 592 E HA 0.040 4.396 4.350 0.009 0.000 0.194 592 E C 0.229 176.832 176.600 0.005 0.000 1.041 592 E CA 0.128 56.537 56.400 0.016 0.000 0.874 592 E CB 0.306 30.027 29.700 0.035 0.000 0.914 592 E HN 0.401 nan 8.360 nan 0.000 0.498 593 Q N 1.187 120.974 119.800 -0.022 0.000 2.267 593 Q HA 0.144 4.490 4.340 0.009 0.000 0.255 593 Q C 0.010 176.011 176.000 0.002 0.000 0.923 593 Q CA -0.026 55.772 55.803 -0.009 0.000 0.925 593 Q CB 1.114 29.841 28.738 -0.018 0.000 1.195 593 Q HN 0.173 nan 8.270 nan 0.000 0.417 594 E N 2.918 123.123 120.200 0.009 0.000 2.366 594 E HA 0.070 4.425 4.350 0.009 0.000 0.266 594 E C -0.660 175.948 176.600 0.014 0.000 1.015 594 E CA -0.134 56.274 56.400 0.013 0.000 0.906 594 E CB 0.465 30.172 29.700 0.011 0.000 0.979 594 E HN 0.461 nan 8.360 nan 0.000 0.443 595 I N 6.025 126.606 120.570 0.018 0.000 2.342 595 I HA 0.152 4.328 4.170 0.009 0.000 0.291 595 I C 0.029 176.161 176.117 0.025 0.000 1.010 595 I CA -0.365 60.951 61.300 0.027 0.000 1.308 595 I CB 0.671 38.690 38.000 0.032 0.000 1.400 595 I HN 0.406 nan 8.210 nan 0.000 0.488 596 L N 7.316 128.561 121.223 0.037 0.000 2.358 596 L HA 0.540 4.885 4.340 0.009 0.000 0.268 596 L C -2.194 174.711 176.870 0.058 0.000 1.032 596 L CA -2.044 52.814 54.840 0.031 0.000 0.805 596 L CB 0.574 42.647 42.059 0.024 0.000 1.253 596 L HN 0.304 nan 8.230 nan 0.000 0.452 597 P HA -0.064 nan 4.420 nan 0.000 0.265 597 P C 0.023 177.484 177.300 0.267 0.000 1.187 597 P CA 0.230 63.393 63.100 0.105 0.000 0.766 597 P CB 0.389 32.125 31.700 0.060 0.000 0.820 598 F N 2.724 122.890 119.950 0.361 0.000 2.234 598 F HA -0.022 4.510 4.527 0.009 0.000 0.296 598 F C 0.982 176.809 175.800 0.045 0.000 1.089 598 F CA 0.837 58.907 58.000 0.115 0.000 1.343 598 F CB 0.340 39.322 39.000 -0.029 0.000 1.040 598 F HN 0.391 nan 8.300 nan 0.000 0.498 599 N N -0.979 117.816 118.700 0.160 0.000 2.934 599 N HA 0.139 4.885 4.740 0.009 0.000 0.253 599 N C -1.599 174.000 175.510 0.148 0.000 1.466 599 N CA -0.147 52.918 53.050 0.026 0.000 0.858 599 N CB 1.246 39.714 38.487 -0.031 0.000 1.459 599 N HN -0.019 nan 8.380 nan 0.000 0.532 600 D N -0.746 119.710 120.400 0.093 0.000 2.538 600 D HA 0.088 4.733 4.640 0.009 0.000 0.231 600 D C 0.493 176.835 176.300 0.070 0.000 1.229 600 D CA -0.577 53.480 54.000 0.096 0.000 0.828 600 D CB -0.479 40.341 40.800 0.034 0.000 1.035 600 D HN 0.460 nan 8.370 nan 0.000 0.495 601 F N 0.565 120.462 119.950 -0.087 0.000 2.161 601 F HA -0.149 4.383 4.527 0.009 0.000 0.300 601 F C 0.661 176.253 175.800 -0.347 0.000 1.089 601 F CA 1.348 59.191 58.000 -0.263 0.000 1.282 601 F CB 0.175 38.952 39.000 -0.372 0.000 1.010 601 F HN -0.038 nan 8.300 nan 0.000 0.485 602 Y N -0.379 120.075 120.300 0.257 0.000 2.660 602 Y HA 0.217 4.773 4.550 0.009 0.000 0.254 602 Y C 1.657 177.622 175.900 0.108 0.000 1.176 602 Y CA -0.701 57.502 58.100 0.172 0.000 1.195 602 Y CB -0.617 37.969 38.460 0.210 0.000 1.190 602 Y HN -0.047 nan 8.280 nan 0.000 0.535 603 K N 0.483 120.997 120.400 0.189 0.000 2.063 603 K HA -0.206 4.120 4.320 0.009 0.000 0.208 603 K C 0.998 177.652 176.600 0.089 0.000 1.048 603 K CA 2.136 58.496 56.287 0.122 0.000 0.928 603 K CB 0.052 32.596 32.500 0.073 0.000 0.713 603 K HN 0.159 nan 8.250 nan 0.000 0.442 604 D N 0.413 120.854 120.400 0.068 0.000 2.263 604 D HA -0.113 4.533 4.640 0.009 0.000 0.208 604 D C 1.443 177.786 176.300 0.071 0.000 0.971 604 D CA 0.964 54.993 54.000 0.047 0.000 0.867 604 D CB 0.090 40.899 40.800 0.015 0.000 0.929 604 D HN 0.246 nan 8.370 nan 0.000 0.492 605 Q N -0.868 119.004 119.800 0.119 0.000 2.360 605 Q HA 0.282 4.627 4.340 0.009 0.000 0.202 605 Q C 1.239 177.284 176.000 0.075 0.000 0.915 605 Q CA 0.468 56.334 55.803 0.105 0.000 0.943 605 Q CB 0.389 29.212 28.738 0.142 0.000 1.064 605 Q HN 0.225 nan 8.270 nan 0.000 0.511 606 G N 0.271 109.118 108.800 0.078 0.000 2.179 606 G HA2 -0.296 3.670 3.960 0.009 0.000 0.257 606 G HA3 -0.296 3.670 3.960 0.009 0.000 0.257 606 G C -0.157 174.781 174.900 0.063 0.000 1.010 606 G CA 0.055 45.190 45.100 0.059 0.000 0.736 606 G HN 0.331 nan 8.290 nan 0.000 0.513 607 L N -0.055 121.226 121.223 0.096 0.000 2.395 607 L HA 0.365 4.710 4.340 0.009 0.000 0.269 607 L C 1.939 178.884 176.870 0.124 0.000 1.133 607 L CA 0.149 55.044 54.840 0.091 0.000 0.812 607 L CB 1.099 43.213 42.059 0.093 0.000 1.125 607 L HN 0.223 nan 8.230 nan 0.000 0.452 608 T N 1.502 116.116 114.554 0.100 0.000 2.852 608 T HA 0.064 4.419 4.350 0.009 0.000 0.256 608 T C 0.784 175.636 174.700 0.253 0.000 1.038 608 T CA 0.521 62.692 62.100 0.118 0.000 1.141 608 T CB 0.078 68.984 68.868 0.064 0.000 0.869 608 T HN 0.678 nan 8.240 nan 0.000 0.439 609 A N 0.850 123.796 122.820 0.210 0.000 2.386 609 A HA 0.557 4.883 4.320 0.009 0.000 0.246 609 A C 0.549 178.298 177.584 0.274 0.000 1.089 609 A CA 0.050 52.248 52.037 0.269 0.000 0.790 609 A CB 0.214 19.321 19.000 0.178 0.000 1.042 609 A HN 0.308 nan 8.150 nan 0.000 0.497 610 T N -1.692 112.987 114.554 0.209 0.000 2.618 610 T HA 0.571 4.927 4.350 0.009 0.000 0.293 610 T C -0.581 174.224 174.700 0.174 0.000 1.093 610 T CA 0.304 62.505 62.100 0.168 0.000 1.061 610 T CB 1.493 70.262 68.868 -0.165 0.000 1.498 610 T HN 0.983 nan 8.240 nan 0.000 0.494 611 T N 0.768 115.368 114.554 0.077 0.000 2.797 611 T HA 0.745 5.101 4.350 0.009 0.000 0.279 611 T C -1.270 173.385 174.700 -0.076 0.000 0.991 611 T CA -0.204 61.910 62.100 0.023 0.000 0.979 611 T CB 0.546 69.341 68.868 -0.122 0.000 0.943 611 T HN 0.896 nan 8.240 nan 0.000 0.444 612 A N 4.525 127.362 122.820 0.028 0.000 2.547 612 A HA 0.484 4.809 4.320 0.009 0.000 0.279 612 A C -0.038 177.629 177.584 0.139 0.000 1.088 612 A CA -0.675 51.376 52.037 0.024 0.000 0.796 612 A CB 0.521 19.357 19.000 -0.273 0.000 1.308 612 A HN 0.884 nan 8.150 nan 0.000 0.415 613 N N 1.475 120.253 118.700 0.130 0.000 2.365 613 N HA 0.133 4.878 4.740 0.009 0.000 0.257 613 N C -0.794 174.807 175.510 0.150 0.000 1.287 613 N CA 0.159 53.311 53.050 0.170 0.000 0.882 613 N CB 0.445 39.044 38.487 0.186 0.000 1.250 613 N HN 0.765 nan 8.380 nan 0.000 0.507 614 Q N 0.189 120.052 119.800 0.104 0.000 2.339 614 Q HA 0.097 4.442 4.340 0.009 0.000 0.268 614 Q C -0.193 175.818 176.000 0.019 0.000 1.027 614 Q CA -0.738 55.101 55.803 0.060 0.000 0.759 614 Q CB 1.491 30.180 28.738 -0.081 0.000 1.244 614 Q HN 0.355 nan 8.270 nan 0.000 0.464 615 W N 4.809 126.097 121.300 -0.019 0.000 2.318 615 W HA -0.289 4.376 4.660 0.009 0.000 0.313 615 W C 1.934 178.399 176.519 -0.090 0.000 1.221 615 W CA 2.570 59.846 57.345 -0.114 0.000 1.266 615 W CB -0.018 29.287 29.460 -0.259 0.000 1.150 615 W HN 0.862 nan 8.180 nan 0.000 0.496 616 H N -0.664 118.145 119.070 -0.435 0.000 2.489 616 H HA -0.109 4.452 4.556 0.009 0.000 0.293 616 H C 1.870 176.953 175.328 -0.408 0.000 1.066 616 H CA 1.816 57.422 56.048 -0.737 0.000 1.305 616 H CB -0.954 28.655 29.762 -0.255 0.000 1.386 616 H HN 0.352 nan 8.280 nan 0.000 0.551 617 L N 0.037 120.885 121.223 -0.625 0.000 2.354 617 L HA 0.083 4.428 4.340 0.009 0.000 0.212 617 L C 2.606 179.450 176.870 -0.043 0.000 1.091 617 L CA 0.233 54.912 54.840 -0.268 0.000 0.828 617 L CB -0.074 41.855 42.059 -0.216 0.000 0.973 617 L HN 0.107 nan 8.230 nan 0.000 0.461 618 I N 0.551 121.028 120.570 -0.154 0.000 2.252 618 I HA -0.209 3.966 4.170 0.009 0.000 0.245 618 I C 2.684 178.704 176.117 -0.161 0.000 1.102 618 I CA 1.290 62.490 61.300 -0.166 0.000 1.385 618 I CB -0.300 37.661 38.000 -0.065 0.000 1.064 618 I HN 0.167 nan 8.210 nan 0.000 0.414 619 A N -1.207 121.419 122.820 -0.324 0.000 2.072 619 A HA 0.043 4.368 4.320 0.009 0.000 0.216 619 A C 1.187 178.669 177.584 -0.169 0.000 1.156 619 A CA 1.197 53.072 52.037 -0.269 0.000 0.701 619 A CB -0.031 18.637 19.000 -0.554 0.000 0.816 619 A HN 0.386 nan 8.150 nan 0.000 0.458 620 T N -3.360 111.089 114.554 -0.175 0.000 2.942 620 T HA 0.486 4.842 4.350 0.009 0.000 0.327 620 T C 0.130 174.798 174.700 -0.053 0.000 1.360 620 T CA 0.165 62.210 62.100 -0.092 0.000 1.055 620 T CB 1.394 70.203 68.868 -0.100 0.000 1.261 620 T HN 0.490 nan 8.240 nan 0.000 0.485 621 A N 2.381 125.188 122.820 -0.021 0.000 2.218 621 A HA 0.462 4.787 4.320 0.009 0.000 0.209 621 A C 1.208 178.775 177.584 -0.027 0.000 1.168 621 A CA 0.232 52.261 52.037 -0.013 0.000 0.804 621 A CB -0.214 18.785 19.000 -0.002 0.000 0.834 621 A HN 0.700 nan 8.150 nan 0.000 0.482 622 S N 0.462 116.143 115.700 -0.032 0.000 2.617 622 S HA 0.356 4.831 4.470 0.009 0.000 0.259 622 S C 0.771 175.345 174.600 -0.043 0.000 1.301 622 S CA 0.147 58.325 58.200 -0.035 0.000 0.984 622 S CB 0.560 63.742 63.200 -0.030 0.000 0.954 622 S HN 0.659 nan 8.310 nan 0.000 0.572 623 T N -1.077 113.444 114.554 -0.056 0.000 2.918 623 T HA 0.481 4.837 4.350 0.009 0.000 0.302 623 T C 0.533 175.197 174.700 -0.060 0.000 1.045 623 T CA -0.383 61.666 62.100 -0.085 0.000 1.114 623 T CB 0.362 69.160 68.868 -0.116 0.000 0.965 623 T HN 0.620 nan 8.240 nan 0.000 0.540 624 I N 1.058 121.594 120.570 -0.057 0.000 5.007 624 I HA 0.191 4.366 4.170 0.009 0.000 0.323 624 I C 1.048 177.199 176.117 0.056 0.000 1.195 624 I CA -0.532 60.776 61.300 0.013 0.000 1.407 624 I CB 0.468 38.489 38.000 0.034 0.000 1.544 624 I HN 0.834 nan 8.210 nan 0.000 0.505 625 Y N 0.967 121.234 120.300 -0.056 0.000 2.462 625 Y HA 0.418 4.974 4.550 0.009 0.000 0.253 625 Y C 1.009 176.867 175.900 -0.070 0.000 1.095 625 Y CA 0.192 58.244 58.100 -0.080 0.000 1.283 625 Y CB -0.780 37.589 38.460 -0.151 0.000 1.138 625 Y HN 0.021 nan 8.280 nan 0.000 0.522 626 T N -0.334 113.806 114.554 -0.689 0.000 2.882 626 T HA 0.427 4.783 4.350 0.009 0.000 0.287 626 T C 0.344 174.907 174.700 -0.230 0.000 1.014 626 T CA -0.326 61.469 62.100 -0.507 0.000 1.049 626 T CB 1.731 70.269 68.868 -0.549 0.000 1.001 626 T HN 0.197 nan 8.240 nan 0.000 0.525 627 T N 0.000 114.458 114.554 -0.160 0.000 3.816 627 T HA 0.000 4.355 4.350 0.009 0.000 0.228 627 T CA 0.000 62.040 62.100 -0.100 0.000 1.349 627 T CB 0.000 68.824 68.868 -0.073 0.000 0.612 627 T HN 0.000 nan 8.240 nan 0.000 0.658