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 1xn2_1_A DATA FIRST_RESID 1 DATA SEQUENCE EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR DATA SEQUENCE YYQRQLSSTY RDLRKGVYVP YTQGKWEGEL GTDLVSIPHG PNVTVRANIA DATA SEQUENCE AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF DATA SEQUENCE SLQLcGAGFP LNQSEVLASV GGSMIIGGID HSLYTGSLWY TPIRREWYYE DATA SEQUENCE VIIVRVEING QDLKMDcKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA DATA SEQUENCE ASSTEKFPDG FWLGEQLVcW QAGTTPWNIF PVISLYLMGE VTNQSFRITI DATA SEQUENCE LPQQYLRPVE DVATSQDDcY KFAISQSSTG TVMGAVIMEG FYVVFDRARK DATA SEQUENCE RIGFAVSAcH VHDEFRTAAV EGPFVTLDME DcGYN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.647 176.600 0.079 0.000 1.382 1 E CA 0.000 56.438 56.400 0.062 0.000 0.976 1 E CB 0.000 29.741 29.700 0.069 0.000 0.812 2 M N 1.943 121.586 119.600 0.072 0.000 2.502 2 M HA 0.247 4.727 4.480 -0.000 0.000 0.243 2 M C 0.274 176.605 176.300 0.052 0.000 1.130 2 M CA 0.098 55.447 55.300 0.083 0.000 1.055 2 M CB 1.217 33.876 32.600 0.098 0.000 1.457 2 M HN -0.106 nan 8.290 nan 0.000 0.488 3 V N 2.548 122.478 119.914 0.027 0.000 2.655 3 V HA -0.060 4.060 4.120 -0.000 0.000 0.300 3 V C 0.177 176.258 176.094 -0.022 0.000 1.044 3 V CA 0.455 62.757 62.300 0.004 0.000 1.095 3 V CB 0.410 32.226 31.823 -0.011 0.000 0.952 3 V HN 0.531 nan 8.190 nan 0.000 0.485 4 D N 3.030 123.415 120.400 -0.024 0.000 2.800 4 D HA -0.162 4.478 4.640 -0.000 0.000 0.232 4 D C 0.750 177.011 176.300 -0.065 0.000 1.137 4 D CA 1.212 55.185 54.000 -0.045 0.000 0.718 4 D CB -1.039 39.727 40.800 -0.057 0.000 1.084 4 D HN 0.917 nan 8.370 nan 0.000 0.432 5 N N -0.168 118.512 118.700 -0.032 0.000 2.270 5 N HA 0.034 4.774 4.740 -0.000 0.000 0.198 5 N C 0.322 175.826 175.510 -0.009 0.000 1.117 5 N CA 0.046 53.086 53.050 -0.018 0.000 0.845 5 N CB 0.274 38.802 38.487 0.069 0.000 0.980 5 N HN 0.336 nan 8.380 nan 0.000 0.486 6 L N 0.061 121.261 121.223 -0.037 0.000 2.330 6 L HA 0.571 4.911 4.340 -0.000 0.000 0.271 6 L C 0.281 177.065 176.870 -0.144 0.000 1.013 6 L CA -0.882 53.914 54.840 -0.073 0.000 0.816 6 L CB 1.740 43.790 42.059 -0.014 0.000 1.287 6 L HN -0.088 nan 8.230 nan 0.000 0.435 7 R N 0.253 120.519 120.500 -0.390 0.000 2.808 7 R HA 0.827 5.167 4.340 -0.000 0.000 0.272 7 R C -0.538 175.376 176.300 -0.643 0.000 0.995 7 R CA -0.525 55.275 56.100 -0.500 0.000 0.917 7 R CB 2.388 32.325 30.300 -0.606 0.000 1.217 7 R HN 0.871 nan 8.270 nan 0.000 0.471 8 G N 1.046 109.609 108.800 -0.395 0.000 2.316 8 G HA2 0.022 3.982 3.960 -0.000 0.000 0.349 8 G HA3 0.022 3.982 3.960 -0.000 0.000 0.349 8 G C -1.812 172.680 174.900 -0.680 0.000 1.274 8 G CA -0.585 44.251 45.100 -0.439 0.000 1.018 8 G HN 0.669 nan 8.290 nan 0.000 0.486 9 K N -2.363 117.504 120.400 -0.888 0.000 2.578 9 K HA 0.690 5.010 4.320 -0.000 0.000 0.287 9 K C 1.234 177.513 176.600 -0.536 0.000 1.010 9 K CA 0.076 55.961 56.287 -0.671 0.000 0.889 9 K CB 1.172 33.522 32.500 -0.250 0.000 1.514 9 K HN 1.330 nan 8.250 nan 0.000 0.424 10 S N -0.111 115.520 115.700 -0.114 0.000 2.383 10 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 10 S C 1.836 176.445 174.600 0.015 0.000 1.030 10 S CA 1.438 59.680 58.200 0.071 0.000 1.002 10 S CB -0.884 62.398 63.200 0.136 0.000 0.829 10 S HN 0.811 nan 8.310 nan 0.000 0.467 11 G N 0.364 109.155 108.800 -0.016 0.000 2.484 11 G HA2 0.033 3.993 3.960 -0.000 0.000 0.218 11 G HA3 0.033 3.993 3.960 -0.000 0.000 0.218 11 G C 1.404 176.309 174.900 0.009 0.000 1.130 11 G CA 0.387 45.487 45.100 0.001 0.000 0.784 11 G HN 0.640 nan 8.290 nan 0.000 0.543 12 Q N -0.855 118.944 119.800 -0.003 0.000 2.189 12 Q HA 0.382 4.722 4.340 -0.000 0.000 0.223 12 Q C 0.750 176.884 176.000 0.224 0.000 0.828 12 Q CA 0.165 56.024 55.803 0.094 0.000 0.967 12 Q CB 1.631 30.403 28.738 0.057 0.000 1.139 12 Q HN 0.437 nan 8.270 nan 0.000 0.497 13 G N 0.732 109.545 108.800 0.022 0.000 2.690 13 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.686 13 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.686 13 G C -1.354 173.455 174.900 -0.151 0.000 1.277 13 G CA -0.948 44.133 45.100 -0.032 0.000 0.799 13 G HN 0.134 nan 8.290 nan 0.000 0.613 14 Y N 0.348 120.625 120.300 -0.038 0.000 2.360 14 Y HA 0.680 5.230 4.550 -0.000 0.000 0.337 14 Y C 0.698 176.556 175.900 -0.070 0.000 1.039 14 Y CA -0.183 57.869 58.100 -0.081 0.000 1.109 14 Y CB 1.795 40.198 38.460 -0.095 0.000 1.201 14 Y HN 0.816 nan 8.280 nan 0.000 0.458 15 Y N 0.305 120.648 120.300 0.072 0.000 2.576 15 Y HA 0.845 5.394 4.550 -0.000 0.000 0.346 15 Y C -1.739 174.191 175.900 0.049 0.000 1.018 15 Y CA -1.763 56.346 58.100 0.015 0.000 1.050 15 Y CB 0.970 39.468 38.460 0.064 0.000 1.280 15 Y HN 0.414 nan 8.280 nan 0.000 0.474 16 V N 1.334 121.387 119.914 0.233 0.000 2.914 16 V HA 0.417 4.537 4.120 -0.000 0.000 0.314 16 V C -0.865 175.351 176.094 0.204 0.000 1.084 16 V CA -0.878 61.514 62.300 0.153 0.000 0.963 16 V CB 1.867 33.718 31.823 0.046 0.000 1.025 16 V HN 0.987 nan 8.190 nan 0.000 0.432 17 E N 4.943 125.255 120.200 0.187 0.000 2.313 17 E HA 0.511 4.861 4.350 -0.000 0.000 0.276 17 E C -0.829 175.805 176.600 0.057 0.000 1.031 17 E CA -0.239 56.248 56.400 0.145 0.000 0.857 17 E CB 0.949 30.746 29.700 0.162 0.000 1.040 17 E HN 0.677 nan 8.360 nan 0.000 0.408 18 M N 1.912 121.533 119.600 0.035 0.000 2.631 18 M HA 0.339 4.819 4.480 -0.000 0.000 0.288 18 M C -0.817 175.487 176.300 0.007 0.000 1.260 18 M CA -0.921 54.377 55.300 -0.004 0.000 0.842 18 M CB 2.564 35.145 32.600 -0.031 0.000 1.743 18 M HN 0.592 nan 8.290 nan 0.000 0.461 19 T N -0.372 114.185 114.554 0.004 0.000 2.876 19 T HA 0.823 5.173 4.350 -0.000 0.000 0.289 19 T C -0.787 173.920 174.700 0.012 0.000 1.014 19 T CA -0.790 61.313 62.100 0.005 0.000 0.986 19 T CB 1.561 70.431 68.868 0.003 0.000 1.021 19 T HN 0.687 nan 8.240 nan 0.000 0.458 20 V N -0.915 118.990 119.914 -0.016 0.000 2.789 20 V HA 0.999 5.118 4.120 -0.000 0.000 0.311 20 V C 0.498 176.604 176.094 0.019 0.000 1.073 20 V CA 0.122 62.393 62.300 -0.049 0.000 0.921 20 V CB 0.663 32.301 31.823 -0.307 0.000 1.009 20 V HN 2.056 nan 8.190 nan 0.000 0.426 21 G N 2.967 111.817 108.800 0.083 0.000 2.784 21 G HA2 0.131 4.091 3.960 -0.000 0.000 0.369 21 G HA3 0.131 4.091 3.960 -0.000 0.000 0.369 21 G C -0.382 174.582 174.900 0.108 0.000 1.362 21 G CA -0.283 44.913 45.100 0.159 0.000 0.858 21 G HN 1.872 nan 8.290 nan 0.000 0.537 22 S N 2.317 118.082 115.700 0.109 0.000 2.733 22 S HA 0.694 5.164 4.470 -0.000 0.000 0.294 22 S C -2.188 172.447 174.600 0.059 0.000 1.149 22 S CA -0.515 57.728 58.200 0.071 0.000 1.034 22 S CB 2.792 66.032 63.200 0.066 0.000 1.015 22 S HN 0.808 nan 8.310 nan 0.000 0.486 23 P HA 0.281 nan 4.420 nan 0.000 0.273 23 P C -2.904 174.419 177.300 0.039 0.000 1.250 23 P CA -1.566 61.553 63.100 0.033 0.000 0.793 23 P CB -0.847 30.865 31.700 0.019 0.000 1.011 24 P HA 0.098 nan 4.420 nan 0.000 0.264 24 P C -0.503 176.810 177.300 0.023 0.000 1.193 24 P CA 0.685 63.801 63.100 0.027 0.000 0.763 24 P CB 0.123 31.831 31.700 0.014 0.000 0.810 25 Q N 1.615 121.433 119.800 0.029 0.000 2.348 25 Q HA 0.278 4.618 4.340 -0.000 0.000 0.265 25 Q C -0.368 175.635 176.000 0.004 0.000 0.998 25 Q CA -0.435 55.380 55.803 0.020 0.000 0.831 25 Q CB 1.054 29.827 28.738 0.059 0.000 1.251 25 Q HN 0.359 nan 8.270 nan 0.000 0.456 26 T N 3.917 118.470 114.554 -0.002 0.000 2.814 26 T HA 0.411 4.761 4.350 -0.000 0.000 0.297 26 T C -0.173 174.528 174.700 0.002 0.000 0.956 26 T CA -0.002 62.099 62.100 0.002 0.000 1.123 26 T CB 0.205 69.076 68.868 0.005 0.000 0.902 26 T HN 0.334 nan 8.240 nan 0.000 0.528 27 L N 3.529 124.760 121.223 0.012 0.000 2.409 27 L HA 0.456 4.796 4.340 -0.000 0.000 0.262 27 L C -0.091 176.806 176.870 0.045 0.000 0.992 27 L CA -1.001 53.851 54.840 0.019 0.000 0.817 27 L CB 2.240 44.308 42.059 0.014 0.000 1.350 27 L HN 0.566 nan 8.230 nan 0.000 0.411 28 N N 2.774 121.491 118.700 0.029 0.000 2.434 28 N HA 0.522 5.262 4.740 -0.000 0.000 0.272 28 N C -1.141 174.438 175.510 0.114 0.000 1.040 28 N CA -0.577 52.502 53.050 0.047 0.000 0.956 28 N CB 1.373 39.714 38.487 -0.243 0.000 1.108 28 N HN 0.258 nan 8.380 nan 0.000 0.481 29 I N 2.926 123.593 120.570 0.161 0.000 2.406 29 I HA 0.232 4.402 4.170 -0.000 0.000 0.290 29 I C -0.008 176.133 176.117 0.040 0.000 0.999 29 I CA -0.752 60.620 61.300 0.121 0.000 1.124 29 I CB 1.388 39.447 38.000 0.098 0.000 1.289 29 I HN 0.465 nan 8.210 nan 0.000 0.441 30 L N 7.063 128.170 121.223 -0.193 0.000 2.455 30 L HA 0.196 4.536 4.340 -0.000 0.000 0.272 30 L C -0.272 176.439 176.870 -0.265 0.000 1.174 30 L CA 0.067 54.633 54.840 -0.457 0.000 0.869 30 L CB 0.829 42.128 42.059 -1.266 0.000 1.130 30 L HN 0.347 nan 8.230 nan 0.000 0.474 31 V N 4.895 124.702 119.914 -0.178 0.000 2.389 31 V HA 0.182 4.302 4.120 -0.000 0.000 0.264 31 V C -0.410 175.590 176.094 -0.156 0.000 1.049 31 V CA -0.181 62.022 62.300 -0.162 0.000 0.932 31 V CB 0.976 32.723 31.823 -0.127 0.000 1.011 31 V HN 0.744 nan 8.190 nan 0.000 0.475 32 D N 3.153 123.464 120.400 -0.147 0.000 2.446 32 D HA 0.245 4.885 4.640 -0.000 0.000 0.251 32 D C 1.184 177.461 176.300 -0.038 0.000 1.137 32 D CA -0.192 53.760 54.000 -0.081 0.000 0.890 32 D CB 1.542 42.311 40.800 -0.052 0.000 1.071 32 D HN 0.583 nan 8.370 nan 0.000 0.528 33 T N -0.268 114.265 114.554 -0.036 0.000 3.160 33 T HA 0.106 4.456 4.350 -0.000 0.000 0.257 33 T C 1.593 176.424 174.700 0.218 0.000 1.147 33 T CA 0.260 62.385 62.100 0.042 0.000 1.064 33 T CB 0.215 68.999 68.868 -0.139 0.000 0.949 33 T HN 0.292 nan 8.240 nan 0.000 0.526 34 G N 0.934 109.838 108.800 0.174 0.000 3.141 34 G HA2 0.421 4.381 3.960 -0.000 0.000 0.218 34 G HA3 0.421 4.381 3.960 -0.000 0.000 0.218 34 G C 0.327 175.372 174.900 0.241 0.000 1.170 34 G CA 0.114 45.360 45.100 0.245 0.000 0.769 34 G HN 0.771 nan 8.290 nan 0.000 0.546 35 S N -2.055 113.745 115.700 0.166 0.000 2.671 35 S HA 0.648 5.118 4.470 -0.000 0.000 0.277 35 S C -0.105 174.542 174.600 0.078 0.000 1.165 35 S CA -0.353 57.931 58.200 0.139 0.000 0.822 35 S CB 1.838 65.242 63.200 0.341 0.000 1.150 35 S HN -0.077 nan 8.310 nan 0.000 0.479 36 S N 0.231 115.972 115.700 0.067 0.000 2.937 36 S HA 0.391 4.861 4.470 -0.000 0.000 0.252 36 S C -0.630 174.056 174.600 0.144 0.000 1.022 36 S CA -0.464 57.779 58.200 0.071 0.000 1.079 36 S CB -0.415 62.794 63.200 0.015 0.000 1.035 36 S HN 0.680 nan 8.310 nan 0.000 0.594 37 N N 1.191 120.020 118.700 0.215 0.000 2.362 37 N HA 0.460 5.200 4.740 -0.000 0.000 0.298 37 N C -1.356 174.383 175.510 0.381 0.000 1.048 37 N CA -0.457 52.775 53.050 0.302 0.000 0.858 37 N CB 1.180 39.893 38.487 0.376 0.000 1.218 37 N HN 0.284 nan 8.380 nan 0.000 0.488 38 F N 2.161 122.207 119.950 0.161 0.000 2.404 38 F HA 0.667 5.194 4.527 -0.000 0.000 0.358 38 F C -0.342 175.478 175.800 0.034 0.000 1.120 38 F CA -0.615 57.431 58.000 0.077 0.000 1.144 38 F CB 0.357 39.404 39.000 0.078 0.000 1.133 38 F HN 0.459 nan 8.300 nan 0.000 0.495 39 A N 5.639 128.364 122.820 -0.159 0.000 2.539 39 A HA 0.766 5.086 4.320 -0.000 0.000 0.296 39 A C -1.468 175.864 177.584 -0.420 0.000 1.073 39 A CA -0.540 51.209 52.037 -0.480 0.000 0.700 39 A CB 1.806 20.276 19.000 -0.885 0.000 1.296 39 A HN 0.935 nan 8.150 nan 0.000 0.405 40 V N -0.895 118.794 119.914 -0.375 0.000 2.925 40 V HA 0.920 5.040 4.120 -0.000 0.000 0.311 40 V C 0.379 176.491 176.094 0.031 0.000 1.104 40 V CA -0.270 61.957 62.300 -0.121 0.000 0.954 40 V CB 1.237 32.942 31.823 -0.196 0.000 1.022 40 V HN 1.790 nan 8.190 nan 0.000 0.427 41 G N 1.378 110.295 108.800 0.196 0.000 2.353 41 G HA2 0.526 4.486 3.960 -0.000 0.000 0.239 41 G HA3 0.526 4.486 3.960 -0.000 0.000 0.239 41 G C 0.496 175.478 174.900 0.137 0.000 1.295 41 G CA 0.172 45.370 45.100 0.162 0.000 0.884 41 G HN 2.006 nan 8.290 nan 0.000 0.537 42 A N 1.164 124.026 122.820 0.071 0.000 2.624 42 A HA 0.777 5.097 4.320 -0.000 0.000 0.287 42 A C 0.591 178.118 177.584 -0.096 0.000 1.087 42 A CA 0.736 52.826 52.037 0.088 0.000 0.964 42 A CB 0.107 19.126 19.000 0.032 0.000 1.231 42 A HN 1.923 nan 8.150 nan 0.000 0.551 43 A N 0.470 123.055 122.820 -0.391 0.000 2.594 43 A HA 0.779 5.099 4.320 -0.000 0.000 0.295 43 A C -3.255 173.767 177.584 -0.935 0.000 1.071 43 A CA -1.408 50.239 52.037 -0.651 0.000 0.685 43 A CB 0.886 19.730 19.000 -0.261 0.000 1.285 43 A HN 0.035 nan 8.150 nan 0.000 0.405 44 P HA 0.207 nan 4.420 nan 0.000 0.267 44 P C -0.871 176.274 177.300 -0.258 0.000 1.201 44 P CA 0.631 63.389 63.100 -0.571 0.000 0.775 44 P CB 0.335 31.855 31.700 -0.300 0.000 0.854 45 H N 1.675 120.564 119.070 -0.303 0.000 3.112 45 H HA 0.187 4.743 4.556 -0.000 0.000 0.347 45 H C -2.201 172.957 175.328 -0.283 0.000 1.188 45 H CA -1.429 54.455 56.048 -0.274 0.000 1.240 45 H CB 1.850 31.439 29.762 -0.289 0.000 1.920 45 H HN 0.056 nan 8.280 nan 0.000 0.535 46 P HA -0.076 nan 4.420 nan 0.000 0.217 46 P C 0.939 178.202 177.300 -0.061 0.000 1.148 46 P CA 1.445 64.320 63.100 -0.375 0.000 0.828 46 P CB -0.017 31.253 31.700 -0.716 0.000 0.783 47 F N -1.986 118.057 119.950 0.155 0.000 2.727 47 F HA 0.199 4.726 4.527 -0.000 0.000 0.302 47 F C 0.792 176.443 175.800 -0.248 0.000 1.097 47 F CA -0.592 57.376 58.000 -0.052 0.000 1.330 47 F CB 0.226 39.224 39.000 -0.004 0.000 1.084 47 F HN -0.229 nan 8.300 nan 0.000 0.578 48 L N 0.046 121.203 121.223 -0.110 0.000 2.305 48 L HA 0.298 4.638 4.340 -0.000 0.000 0.284 48 L C 0.345 177.127 176.870 -0.147 0.000 1.013 48 L CA -0.629 54.093 54.840 -0.197 0.000 0.819 48 L CB 1.216 43.103 42.059 -0.286 0.000 1.227 48 L HN 0.064 nan 8.230 nan 0.000 0.417 49 H N 2.080 121.121 119.070 -0.050 0.000 2.551 49 H HA 0.126 4.681 4.556 -0.000 0.000 0.266 49 H C 0.056 175.373 175.328 -0.017 0.000 0.964 49 H CA 0.219 56.254 56.048 -0.022 0.000 1.180 49 H CB 0.251 29.987 29.762 -0.042 0.000 1.408 49 H HN 0.476 nan 8.280 nan 0.000 0.563 50 R N -0.942 119.607 120.500 0.082 0.000 2.690 50 R HA 0.372 4.712 4.340 -0.000 0.000 0.269 50 R C -1.855 174.480 176.300 0.058 0.000 1.037 50 R CA -1.122 54.973 56.100 -0.009 0.000 0.877 50 R CB 1.460 31.728 30.300 -0.053 0.000 1.255 50 R HN 0.109 nan 8.270 nan 0.000 0.467 51 Y N -1.835 118.444 120.300 -0.036 0.000 2.670 51 Y HA 0.496 5.046 4.550 -0.000 0.000 0.334 51 Y C -1.562 174.369 175.900 0.051 0.000 1.185 51 Y CA -1.695 56.389 58.100 -0.025 0.000 1.053 51 Y CB 0.657 39.076 38.460 -0.067 0.000 1.298 51 Y HN 0.581 nan 8.280 nan 0.000 0.459 52 Y N 2.886 123.233 120.300 0.078 0.000 2.496 52 Y HA 0.298 4.848 4.550 -0.000 0.000 0.334 52 Y C -0.505 175.406 175.900 0.017 0.000 1.080 52 Y CA -0.767 57.325 58.100 -0.013 0.000 1.355 52 Y CB 0.720 39.158 38.460 -0.037 0.000 1.193 52 Y HN 0.675 nan 8.280 nan 0.000 0.523 53 Q N 7.403 127.116 119.800 -0.145 0.000 2.509 53 Q HA 0.262 4.602 4.340 -0.000 0.000 0.236 53 Q C 0.954 176.658 176.000 -0.494 0.000 1.073 53 Q CA -0.424 55.218 55.803 -0.268 0.000 0.867 53 Q CB 0.921 29.550 28.738 -0.183 0.000 1.181 53 Q HN 0.805 nan 8.270 nan 0.000 0.526 54 R N 0.921 120.910 120.500 -0.853 0.000 2.105 54 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 54 R C 1.526 177.536 176.300 -0.483 0.000 1.135 54 R CA 1.553 57.067 56.100 -0.976 0.000 0.967 54 R CB 0.095 29.532 30.300 -1.438 0.000 0.861 54 R HN 0.591 nan 8.270 nan 0.000 0.442 55 Q N 0.252 119.861 119.800 -0.318 0.000 2.364 55 Q HA -0.079 4.261 4.340 -0.000 0.000 0.209 55 Q C 1.507 177.456 176.000 -0.085 0.000 0.977 55 Q CA 0.797 56.511 55.803 -0.148 0.000 0.885 55 Q CB 0.113 28.788 28.738 -0.105 0.000 0.941 55 Q HN 0.422 nan 8.270 nan 0.000 0.464 56 L N -0.446 120.716 121.223 -0.100 0.000 2.607 56 L HA 0.172 4.512 4.340 -0.000 0.000 0.228 56 L C 0.718 177.588 176.870 -0.000 0.000 1.123 56 L CA -0.214 54.600 54.840 -0.044 0.000 0.890 56 L CB 0.525 42.553 42.059 -0.052 0.000 1.103 56 L HN -0.106 nan 8.230 nan 0.000 0.468 57 S N -0.304 115.405 115.700 0.015 0.000 2.438 57 S HA 0.185 4.655 4.470 -0.000 0.000 0.316 57 S C 1.207 175.882 174.600 0.125 0.000 1.084 57 S CA -0.443 57.817 58.200 0.101 0.000 1.107 57 S CB 1.312 64.633 63.200 0.201 0.000 0.981 57 S HN 0.313 nan 8.310 nan 0.000 0.466 58 S N 2.999 118.758 115.700 0.099 0.000 2.481 58 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 58 S C 1.397 176.058 174.600 0.102 0.000 0.996 58 S CA 1.096 59.348 58.200 0.087 0.000 0.942 58 S CB -0.665 62.569 63.200 0.058 0.000 0.768 58 S HN 0.852 nan 8.310 nan 0.000 0.520 59 T N -2.271 112.359 114.554 0.126 0.000 3.069 59 T HA 0.238 4.588 4.350 -0.000 0.000 0.252 59 T C 0.205 174.994 174.700 0.149 0.000 1.053 59 T CA -0.658 61.509 62.100 0.112 0.000 0.964 59 T CB -0.709 68.216 68.868 0.095 0.000 1.005 59 T HN 0.430 nan 8.240 nan 0.000 0.532 60 Y N 3.141 123.492 120.300 0.084 0.000 2.511 60 Y HA 0.409 4.959 4.550 -0.000 0.000 0.332 60 Y C 0.075 176.016 175.900 0.068 0.000 1.177 60 Y CA -1.018 57.143 58.100 0.102 0.000 1.422 60 Y CB 0.440 38.948 38.460 0.080 0.000 1.271 60 Y HN 0.051 nan 8.280 nan 0.000 0.550 61 R N 4.771 124.796 120.500 -0.791 0.000 2.476 61 R HA 0.167 4.507 4.340 -0.000 0.000 0.305 61 R C -1.538 174.218 176.300 -0.907 0.000 0.965 61 R CA -1.019 54.671 56.100 -0.684 0.000 0.867 61 R CB 1.164 31.307 30.300 -0.262 0.000 1.176 61 R HN 0.657 nan 8.270 nan 0.000 0.447 62 D N 3.493 123.457 120.400 -0.727 0.000 2.317 62 D HA 0.075 4.715 4.640 -0.000 0.000 0.252 62 D C 0.566 176.796 176.300 -0.117 0.000 1.174 62 D CA -0.128 53.687 54.000 -0.308 0.000 0.866 62 D CB 1.167 41.933 40.800 -0.056 0.000 1.127 62 D HN 0.486 nan 8.370 nan 0.000 0.467 63 L N 3.579 124.783 121.223 -0.030 0.000 2.592 63 L HA 0.207 4.547 4.340 -0.000 0.000 0.227 63 L C 0.808 177.694 176.870 0.027 0.000 1.127 63 L CA -0.163 54.678 54.840 0.002 0.000 0.884 63 L CB -0.151 41.926 42.059 0.029 0.000 1.065 63 L HN 0.438 nan 8.230 nan 0.000 0.457 64 R N 1.152 121.677 120.500 0.041 0.000 3.188 64 R HA -0.206 4.134 4.340 -0.000 0.000 0.247 64 R C -0.149 176.182 176.300 0.050 0.000 0.918 64 R CA 0.635 56.764 56.100 0.047 0.000 0.629 64 R CB -1.482 28.837 30.300 0.031 0.000 1.087 64 R HN 0.248 nan 8.270 nan 0.000 0.462 65 K N -0.133 120.307 120.400 0.067 0.000 2.550 65 K HA 0.394 4.714 4.320 -0.000 0.000 0.252 65 K C -0.125 176.527 176.600 0.087 0.000 0.943 65 K CA -0.129 56.198 56.287 0.067 0.000 0.806 65 K CB 1.738 34.276 32.500 0.063 0.000 1.289 65 K HN 0.206 nan 8.250 nan 0.000 0.435 66 G N 1.363 110.211 108.800 0.081 0.000 2.537 66 G HA2 0.551 4.511 3.960 -0.000 0.000 0.273 66 G HA3 0.551 4.511 3.960 -0.000 0.000 0.273 66 G C -1.200 173.771 174.900 0.118 0.000 1.189 66 G CA -0.439 44.721 45.100 0.099 0.000 0.881 66 G HN 0.413 nan 8.290 nan 0.000 0.535 67 V N 0.714 120.725 119.914 0.163 0.000 3.048 67 V HA 0.702 4.822 4.120 -0.000 0.000 0.303 67 V C -2.116 174.078 176.094 0.166 0.000 1.214 67 V CA -0.936 61.462 62.300 0.162 0.000 0.984 67 V CB 2.035 33.986 31.823 0.213 0.000 1.054 67 V HN 0.918 nan 8.190 nan 0.000 0.430 68 Y N 5.112 125.311 120.300 -0.168 0.000 2.421 68 Y HA 0.810 5.360 4.550 -0.000 0.000 0.339 68 Y C -1.528 173.994 175.900 -0.630 0.000 0.996 68 Y CA -0.853 57.035 58.100 -0.352 0.000 1.046 68 Y CB 2.186 40.524 38.460 -0.204 0.000 1.226 68 Y HN 0.473 nan 8.280 nan 0.000 0.445 69 V N 9.047 127.992 119.914 -1.614 0.000 2.482 69 V HA 0.539 4.659 4.120 -0.000 0.000 0.295 69 V C -2.557 172.563 176.094 -1.623 0.000 1.026 69 V CA -1.542 59.760 62.300 -1.663 0.000 0.856 69 V CB 2.017 32.780 31.823 -1.766 0.000 1.001 69 V HN 0.693 nan 8.190 nan 0.000 0.424 70 P HA 0.594 nan 4.420 nan 0.000 0.299 70 P C -1.821 175.086 177.300 -0.655 0.000 1.323 70 P CA -0.607 62.025 63.100 -0.779 0.000 0.896 70 P CB 1.830 33.205 31.700 -0.542 0.000 1.081 71 Y N -0.875 119.331 120.300 -0.157 0.000 2.659 71 Y HA 0.293 4.843 4.550 -0.000 0.000 0.333 71 Y C 2.284 178.177 175.900 -0.011 0.000 1.064 71 Y CA -0.429 57.643 58.100 -0.047 0.000 1.141 71 Y CB 0.542 39.028 38.460 0.044 0.000 1.316 71 Y HN 0.185 nan 8.280 nan 0.000 0.509 72 T N -0.197 114.469 114.554 0.188 0.000 2.680 72 T HA -0.278 4.072 4.350 -0.000 0.000 0.268 72 T C 0.325 175.087 174.700 0.104 0.000 1.033 72 T CA 1.815 63.972 62.100 0.095 0.000 1.152 72 T CB -0.200 68.705 68.868 0.060 0.000 0.859 72 T HN 0.515 nan 8.240 nan 0.000 0.452 73 Q N -0.589 119.297 119.800 0.144 0.000 2.274 73 Q HA 0.486 4.826 4.340 -0.000 0.000 0.268 73 Q C -0.559 175.559 176.000 0.197 0.000 1.015 73 Q CA -0.048 55.834 55.803 0.132 0.000 0.775 73 Q CB 1.551 30.343 28.738 0.091 0.000 1.256 73 Q HN 0.454 nan 8.270 nan 0.000 0.442 74 G N 2.677 111.606 108.800 0.216 0.000 2.619 74 G HA2 0.023 3.982 3.960 -0.000 0.000 0.686 74 G HA3 0.023 3.982 3.960 -0.000 0.000 0.686 74 G C -1.573 173.528 174.900 0.336 0.000 1.256 74 G CA -0.315 44.967 45.100 0.302 0.000 0.826 74 G HN 0.816 nan 8.290 nan 0.000 0.619 75 K N -0.880 119.681 120.400 0.269 0.000 2.685 75 K HA 0.723 5.043 4.320 -0.000 0.000 0.290 75 K C -0.868 175.729 176.600 -0.005 0.000 1.018 75 K CA -0.967 55.330 56.287 0.016 0.000 0.860 75 K CB 1.391 33.861 32.500 -0.049 0.000 1.498 75 K HN 1.753 nan 8.250 nan 0.000 0.390 76 W N 0.058 121.254 121.300 -0.173 0.000 3.074 76 W HA 0.572 5.232 4.660 -0.000 0.000 0.332 76 W C -1.575 174.938 176.519 -0.010 0.000 1.253 76 W CA -0.628 56.620 57.345 -0.163 0.000 1.180 76 W CB 1.112 30.297 29.460 -0.459 0.000 1.445 76 W HN 0.628 nan 8.180 nan 0.000 0.573 77 E N 0.454 120.942 120.200 0.480 0.000 2.266 77 E HA 0.668 5.017 4.350 -0.000 0.000 0.268 77 E C -0.270 176.608 176.600 0.463 0.000 0.879 77 E CA -0.632 56.016 56.400 0.413 0.000 0.762 77 E CB 2.802 32.642 29.700 0.232 0.000 1.199 77 E HN 0.698 nan 8.360 nan 0.000 0.422 78 G N 1.428 110.489 108.800 0.435 0.000 2.682 78 G HA2 0.420 4.380 3.960 -0.000 0.000 0.303 78 G HA3 0.420 4.380 3.960 -0.000 0.000 0.303 78 G C -1.391 173.638 174.900 0.214 0.000 1.341 78 G CA -0.661 44.610 45.100 0.286 0.000 0.784 78 G HN 0.400 nan 8.290 nan 0.000 0.497 79 E N -0.001 120.293 120.200 0.157 0.000 2.210 79 E HA 0.464 4.814 4.350 -0.000 0.000 0.266 79 E C -0.544 176.154 176.600 0.163 0.000 0.883 79 E CA -0.576 55.911 56.400 0.145 0.000 0.761 79 E CB 2.672 32.443 29.700 0.117 0.000 1.156 79 E HN 0.259 nan 8.360 nan 0.000 0.412 80 L N 2.037 123.355 121.223 0.159 0.000 2.417 80 L HA 0.633 4.973 4.340 -0.000 0.000 0.268 80 L C 0.705 177.676 176.870 0.168 0.000 1.158 80 L CA -0.010 54.925 54.840 0.158 0.000 0.819 80 L CB 0.827 42.965 42.059 0.131 0.000 1.112 80 L HN 0.737 nan 8.230 nan 0.000 0.458 81 G N 0.328 109.235 108.800 0.177 0.000 2.548 81 G HA2 0.571 4.531 3.960 -0.000 0.000 0.301 81 G HA3 0.571 4.531 3.960 -0.000 0.000 0.301 81 G C -1.275 173.704 174.900 0.131 0.000 1.349 81 G CA -0.082 45.100 45.100 0.138 0.000 0.792 81 G HN 0.603 nan 8.290 nan 0.000 0.481 82 T N -2.046 112.546 114.554 0.064 0.000 2.896 82 T HA 0.788 5.138 4.350 -0.000 0.000 0.297 82 T C -1.522 173.265 174.700 0.145 0.000 1.108 82 T CA -0.617 61.548 62.100 0.108 0.000 1.004 82 T CB 2.975 71.877 68.868 0.058 0.000 1.159 82 T HN 0.678 nan 8.240 nan 0.000 0.499 83 D N -0.260 120.242 120.400 0.171 0.000 2.692 83 D HA 0.351 4.991 4.640 -0.000 0.000 0.290 83 D C -1.048 175.341 176.300 0.148 0.000 1.281 83 D CA -0.642 53.469 54.000 0.184 0.000 0.804 83 D CB 1.740 42.705 40.800 0.275 0.000 1.331 83 D HN 0.695 nan 8.370 nan 0.000 0.432 84 L N 0.889 122.188 121.223 0.127 0.000 2.349 84 L HA 0.551 4.891 4.340 -0.000 0.000 0.275 84 L C -0.159 176.783 176.870 0.120 0.000 1.115 84 L CA -0.610 54.293 54.840 0.105 0.000 0.820 84 L CB 1.175 43.280 42.059 0.077 0.000 1.135 84 L HN 0.065 nan 8.230 nan 0.000 0.445 85 V N 1.908 121.911 119.914 0.148 0.000 2.789 85 V HA 0.545 4.665 4.120 -0.000 0.000 0.311 85 V C -0.303 175.870 176.094 0.132 0.000 1.073 85 V CA -0.438 61.965 62.300 0.171 0.000 0.921 85 V CB 2.144 34.165 31.823 0.331 0.000 1.009 85 V HN 0.833 nan 8.190 nan 0.000 0.426 86 S N 3.551 119.297 115.700 0.078 0.000 2.599 86 S HA 0.758 5.227 4.470 -0.000 0.000 0.287 86 S C -0.838 173.771 174.600 0.015 0.000 1.105 86 S CA -0.560 57.668 58.200 0.047 0.000 0.899 86 S CB 1.937 65.147 63.200 0.017 0.000 1.100 86 S HN 0.560 nan 8.310 nan 0.000 0.482 87 I N 2.701 123.274 120.570 0.006 0.000 2.466 87 I HA 0.282 4.452 4.170 -0.000 0.000 0.279 87 I C -2.062 174.024 176.117 -0.052 0.000 1.033 87 I CA -2.176 59.113 61.300 -0.018 0.000 1.123 87 I CB 1.920 39.925 38.000 0.009 0.000 1.237 87 I HN 0.390 nan 8.210 nan 0.000 0.460 88 P HA -0.181 nan 4.420 nan 0.000 0.216 88 P C 0.503 177.559 177.300 -0.407 0.000 1.154 88 P CA 1.580 64.504 63.100 -0.294 0.000 0.865 88 P CB 0.067 31.526 31.700 -0.401 0.000 0.789 89 H N -1.323 117.763 119.070 0.027 0.000 2.507 89 H HA 0.550 5.106 4.556 -0.000 0.000 0.271 89 H C 0.904 176.251 175.328 0.032 0.000 1.224 89 H CA -0.030 56.035 56.048 0.027 0.000 1.000 89 H CB 0.006 29.783 29.762 0.026 0.000 1.663 89 H HN 0.099 nan 8.280 nan 0.000 0.548 90 G N 0.816 109.664 108.800 0.080 0.000 3.021 90 G HA2 0.335 4.295 3.960 -0.000 0.000 0.290 90 G HA3 0.335 4.295 3.960 -0.000 0.000 0.290 90 G C -2.689 172.246 174.900 0.058 0.000 1.291 90 G CA -1.389 43.758 45.100 0.078 0.000 0.834 90 G HN -0.072 nan 8.290 nan 0.000 0.564 91 P HA 0.054 nan 4.420 nan 0.000 0.269 91 P C -0.651 176.660 177.300 0.019 0.000 1.215 91 P CA -0.275 62.848 63.100 0.037 0.000 0.780 91 P CB 0.780 32.498 31.700 0.030 0.000 0.898 92 N N 2.075 120.783 118.700 0.012 0.000 3.050 92 N HA 0.160 4.900 4.740 -0.000 0.000 0.289 92 N C -0.390 175.116 175.510 -0.007 0.000 1.209 92 N CA -0.054 52.997 53.050 0.002 0.000 1.154 92 N CB -0.563 37.926 38.487 0.003 0.000 1.444 92 N HN 0.200 nan 8.380 nan 0.000 0.529 93 V N -1.080 118.827 119.914 -0.010 0.000 3.141 93 V HA 0.732 4.852 4.120 -0.000 0.000 0.312 93 V C 0.009 176.095 176.094 -0.013 0.000 1.157 93 V CA -0.672 61.612 62.300 -0.025 0.000 1.041 93 V CB 1.861 33.653 31.823 -0.051 0.000 1.071 93 V HN 0.111 nan 8.190 nan 0.000 0.441 94 T N 1.579 116.120 114.554 -0.022 0.000 2.928 94 T HA 0.701 5.051 4.350 -0.000 0.000 0.296 94 T C -0.703 173.984 174.700 -0.022 0.000 1.000 94 T CA -0.259 61.841 62.100 -0.000 0.000 0.989 94 T CB 1.385 70.255 68.868 0.005 0.000 1.005 94 T HN 1.528 nan 8.240 nan 0.000 0.442 95 V N 1.649 121.560 119.914 -0.005 0.000 2.914 95 V HA 0.764 4.884 4.120 -0.000 0.000 0.314 95 V C -0.400 175.701 176.094 0.011 0.000 1.084 95 V CA -1.461 60.807 62.300 -0.054 0.000 0.963 95 V CB 1.965 33.670 31.823 -0.197 0.000 1.025 95 V HN 0.837 nan 8.190 nan 0.000 0.432 96 R N 2.433 122.928 120.500 -0.008 0.000 2.229 96 R HA 0.801 5.140 4.340 -0.000 0.000 0.328 96 R C -0.304 176.022 176.300 0.044 0.000 1.009 96 R CA 0.318 56.441 56.100 0.039 0.000 0.864 96 R CB 0.934 31.246 30.300 0.021 0.000 1.085 96 R HN 1.257 nan 8.270 nan 0.000 0.453 97 A N 4.009 126.911 122.820 0.136 0.000 2.469 97 A HA 0.449 4.769 4.320 -0.000 0.000 0.299 97 A C -1.059 176.668 177.584 0.237 0.000 1.098 97 A CA -1.086 51.064 52.037 0.187 0.000 0.737 97 A CB 1.302 20.526 19.000 0.373 0.000 1.312 97 A HN 0.770 nan 8.150 nan 0.000 0.414 98 N N 0.284 119.123 118.700 0.233 0.000 2.492 98 N HA 0.403 5.143 4.740 -0.000 0.000 0.260 98 N C -0.877 174.801 175.510 0.279 0.000 1.215 98 N CA 0.621 53.800 53.050 0.216 0.000 0.923 98 N CB 0.553 39.153 38.487 0.188 0.000 1.092 98 N HN 0.515 nan 8.380 nan 0.000 0.448 99 I N 0.739 121.408 120.570 0.166 0.000 2.571 99 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 99 I C -0.484 175.649 176.117 0.027 0.000 1.115 99 I CA -0.982 60.317 61.300 -0.002 0.000 1.045 99 I CB 1.953 39.897 38.000 -0.093 0.000 1.238 99 I HN 0.372 nan 8.210 nan 0.000 0.424 100 A N 5.064 127.846 122.820 -0.064 0.000 2.279 100 A HA 0.766 5.086 4.320 -0.000 0.000 0.306 100 A C 0.247 177.744 177.584 -0.146 0.000 1.300 100 A CA -0.410 51.609 52.037 -0.029 0.000 0.925 100 A CB 0.536 19.542 19.000 0.010 0.000 1.152 100 A HN 0.797 nan 8.150 nan 0.000 0.544 101 A N 3.907 126.733 122.820 0.009 0.000 2.350 101 A HA 0.529 4.849 4.320 -0.000 0.000 0.293 101 A C 0.094 177.658 177.584 -0.033 0.000 1.231 101 A CA -0.278 51.779 52.037 0.034 0.000 0.883 101 A CB -0.403 18.638 19.000 0.069 0.000 1.133 101 A HN 0.772 nan 8.150 nan 0.000 0.533 102 I N 3.506 124.015 120.570 -0.103 0.000 2.452 102 I HA 0.060 4.230 4.170 -0.000 0.000 0.287 102 I C 1.656 177.804 176.117 0.052 0.000 1.079 102 I CA 0.324 61.581 61.300 -0.072 0.000 1.387 102 I CB 1.164 39.076 38.000 -0.146 0.000 1.404 102 I HN 0.876 nan 8.210 nan 0.000 0.522 103 T N 1.455 116.065 114.554 0.094 0.000 3.023 103 T HA 0.247 4.597 4.350 -0.000 0.000 0.249 103 T C 0.582 175.345 174.700 0.104 0.000 1.050 103 T CA 0.047 62.191 62.100 0.072 0.000 1.088 103 T CB 0.440 69.344 68.868 0.060 0.000 0.946 103 T HN 0.417 nan 8.240 nan 0.000 0.480 104 E N 1.337 121.634 120.200 0.162 0.000 2.356 104 E HA 0.616 4.966 4.350 -0.000 0.000 0.275 104 E C -1.254 175.488 176.600 0.237 0.000 0.904 104 E CA -0.496 56.008 56.400 0.174 0.000 0.757 104 E CB 2.395 32.174 29.700 0.130 0.000 1.232 104 E HN 0.460 nan 8.360 nan 0.000 0.442 105 S N 0.639 116.489 115.700 0.250 0.000 2.547 105 S HA 0.577 5.047 4.470 -0.000 0.000 0.270 105 S C -1.608 173.144 174.600 0.254 0.000 1.150 105 S CA -0.983 57.371 58.200 0.256 0.000 0.850 105 S CB 2.321 65.662 63.200 0.235 0.000 1.118 105 S HN 0.324 nan 8.310 nan 0.000 0.461 106 D N 0.577 121.119 120.400 0.236 0.000 2.620 106 D HA 0.429 5.069 4.640 -0.000 0.000 0.252 106 D C -0.648 175.798 176.300 0.242 0.000 1.207 106 D CA -0.387 53.744 54.000 0.217 0.000 0.884 106 D CB 0.803 41.700 40.800 0.163 0.000 1.262 106 D HN 0.713 nan 8.370 nan 0.000 0.552 107 K N 2.200 122.752 120.400 0.254 0.000 3.069 107 K HA -0.256 4.064 4.320 -0.000 0.000 0.267 107 K C 0.088 176.845 176.600 0.262 0.000 1.082 107 K CA 0.535 56.965 56.287 0.240 0.000 0.782 107 K CB -1.319 31.292 32.500 0.184 0.000 1.230 107 K HN 0.451 nan 8.250 nan 0.000 0.488 108 F N 0.246 120.239 119.950 0.071 0.000 2.387 108 F HA 0.262 4.788 4.527 -0.000 0.000 0.278 108 F C 0.763 176.522 175.800 -0.069 0.000 1.010 108 F CA 0.062 58.044 58.000 -0.030 0.000 1.236 108 F CB 0.202 39.104 39.000 -0.163 0.000 1.137 108 F HN -0.050 nan 8.300 nan 0.000 0.604 109 F N 1.776 121.729 119.950 0.006 0.000 2.496 109 F HA 0.269 4.796 4.527 -0.000 0.000 0.344 109 F C 0.031 175.706 175.800 -0.209 0.000 1.155 109 F CA 0.044 57.823 58.000 -0.368 0.000 1.302 109 F CB 0.266 39.042 39.000 -0.373 0.000 1.159 109 F HN -0.246 nan 8.300 nan 0.000 0.595 110 I N 1.988 122.345 120.570 -0.356 0.000 2.465 110 I HA 0.143 4.313 4.170 -0.000 0.000 0.291 110 I C -0.186 175.518 176.117 -0.688 0.000 1.014 110 I CA -0.709 60.345 61.300 -0.409 0.000 1.093 110 I CB 1.703 39.505 38.000 -0.331 0.000 1.267 110 I HN 0.588 nan 8.210 nan 0.000 0.431 111 N N 4.349 122.319 118.700 -1.217 0.000 2.411 111 N HA 0.038 4.778 4.740 -0.000 0.000 0.261 111 N C 1.112 176.298 175.510 -0.541 0.000 1.248 111 N CA 1.165 53.445 53.050 -1.284 0.000 0.885 111 N CB 0.540 38.173 38.487 -1.424 0.000 1.062 111 N HN 0.982 nan 8.380 nan 0.000 0.471 112 G N 1.651 110.255 108.800 -0.326 0.000 2.212 112 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.266 112 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.266 112 G C 0.979 175.772 174.900 -0.178 0.000 0.978 112 G CA 0.758 45.751 45.100 -0.178 0.000 0.632 112 G HN 0.805 nan 8.290 nan 0.000 0.537 113 S N 0.277 115.800 115.700 -0.295 0.000 2.423 113 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 113 S C 1.451 175.914 174.600 -0.229 0.000 1.014 113 S CA 1.454 59.486 58.200 -0.281 0.000 0.965 113 S CB -0.267 62.529 63.200 -0.673 0.000 0.785 113 S HN 1.718 nan 8.310 nan 0.000 0.495 114 N N 0.358 118.867 118.700 -0.319 0.000 2.878 114 N HA -0.123 4.617 4.740 -0.000 0.000 0.247 114 N C -0.383 174.798 175.510 -0.547 0.000 1.021 114 N CA 1.510 54.353 53.050 -0.344 0.000 0.873 114 N CB -1.886 36.458 38.487 -0.238 0.000 1.128 114 N HN 0.891 nan 8.380 nan 0.000 0.571 115 W N -0.533 120.494 121.300 -0.454 0.000 2.627 115 W HA 0.681 5.341 4.660 -0.000 0.000 0.339 115 W C 0.175 176.601 176.519 -0.154 0.000 1.058 115 W CA -0.647 56.453 57.345 -0.408 0.000 1.223 115 W CB 0.535 29.829 29.460 -0.277 0.000 1.389 115 W HN -0.022 nan 8.180 nan 0.000 0.541 116 E N 1.281 121.629 120.200 0.248 0.000 2.601 116 E HA 0.345 4.695 4.350 -0.000 0.000 0.219 116 E C 0.584 177.423 176.600 0.399 0.000 0.964 116 E CA -0.007 56.495 56.400 0.170 0.000 1.050 116 E CB 1.462 31.172 29.700 0.017 0.000 1.068 116 E HN 0.637 nan 8.360 nan 0.000 0.496 117 G N 0.251 109.357 108.800 0.510 0.000 2.606 117 G HA2 0.622 4.582 3.960 -0.000 0.000 0.300 117 G HA3 0.622 4.582 3.960 -0.000 0.000 0.300 117 G C -1.830 173.220 174.900 0.250 0.000 1.360 117 G CA -0.679 44.641 45.100 0.366 0.000 0.783 117 G HN 0.060 nan 8.290 nan 0.000 0.484 118 I N -0.543 120.141 120.570 0.190 0.000 2.686 118 I HA 0.666 4.836 4.170 -0.000 0.000 0.295 118 I C -1.703 174.550 176.117 0.226 0.000 1.114 118 I CA -1.218 60.140 61.300 0.097 0.000 1.038 118 I CB 2.215 40.327 38.000 0.187 0.000 1.238 118 I HN 0.471 nan 8.210 nan 0.000 0.420 119 L N 7.595 128.861 121.223 0.070 0.000 2.313 119 L HA 0.627 4.967 4.340 -0.000 0.000 0.273 119 L C 0.007 176.871 176.870 -0.010 0.000 1.028 119 L CA -0.068 54.767 54.840 -0.008 0.000 0.871 119 L CB 0.899 42.798 42.059 -0.267 0.000 1.242 119 L HN 0.635 nan 8.230 nan 0.000 0.434 120 G N 4.927 113.792 108.800 0.109 0.000 2.356 120 G HA2 0.338 4.298 3.960 -0.000 0.000 0.273 120 G HA3 0.338 4.298 3.960 -0.000 0.000 0.273 120 G C 0.455 175.371 174.900 0.028 0.000 1.213 120 G CA -0.342 44.818 45.100 0.100 0.000 0.955 120 G HN 0.727 nan 8.290 nan 0.000 0.454 121 L N 1.956 123.153 121.223 -0.044 0.000 2.640 121 L HA 0.269 4.609 4.340 -0.000 0.000 0.230 121 L C 1.817 178.679 176.870 -0.013 0.000 1.123 121 L CA -0.144 54.624 54.840 -0.120 0.000 0.900 121 L CB -0.015 41.789 42.059 -0.424 0.000 1.146 121 L HN 0.596 nan 8.230 nan 0.000 0.484 122 A N -0.942 121.851 122.820 -0.045 0.000 2.301 122 A HA 0.444 4.764 4.320 -0.000 0.000 0.287 122 A C -0.716 176.649 177.584 -0.366 0.000 1.274 122 A CA -0.241 51.592 52.037 -0.340 0.000 0.865 122 A CB 0.056 18.926 19.000 -0.216 0.000 1.324 122 A HN 0.095 nan 8.150 nan 0.000 0.508 123 Y N -1.324 118.875 120.300 -0.168 0.000 2.300 123 Y HA 0.386 4.936 4.550 -0.000 0.000 0.328 123 Y C 1.693 177.579 175.900 -0.022 0.000 1.270 123 Y CA 0.259 58.324 58.100 -0.059 0.000 1.352 123 Y CB 0.774 39.204 38.460 -0.050 0.000 1.286 123 Y HN 0.684 nan 8.280 nan 0.000 0.536 124 A N 1.073 124.016 122.820 0.205 0.000 1.986 124 A HA -0.294 4.025 4.320 -0.000 0.000 0.220 124 A C 2.010 179.646 177.584 0.086 0.000 1.171 124 A CA 2.062 54.171 52.037 0.120 0.000 0.640 124 A CB -0.862 18.206 19.000 0.113 0.000 0.811 124 A HN 0.972 nan 8.150 nan 0.000 0.451 125 E N 0.196 120.459 120.200 0.105 0.000 2.187 125 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 125 E C 1.498 178.131 176.600 0.055 0.000 1.004 125 E CA 1.690 58.139 56.400 0.082 0.000 0.813 125 E CB -0.325 29.445 29.700 0.117 0.000 0.736 125 E HN 0.845 nan 8.360 nan 0.000 0.468 126 I N -2.888 117.683 120.570 0.000 0.000 3.976 126 I HA 0.432 4.602 4.170 -0.000 0.000 0.337 126 I C 0.532 176.597 176.117 -0.087 0.000 1.359 126 I CA -0.569 60.673 61.300 -0.097 0.000 1.098 126 I CB 0.414 38.205 38.000 -0.350 0.000 1.027 126 I HN -0.042 nan 8.210 nan 0.000 0.394 127 A N 1.965 124.770 122.820 -0.025 0.000 2.386 127 A HA 0.599 4.919 4.320 -0.000 0.000 0.248 127 A C 0.067 177.637 177.584 -0.023 0.000 1.082 127 A CA -0.281 51.754 52.037 -0.004 0.000 0.789 127 A CB 0.411 19.441 19.000 0.049 0.000 1.025 127 A HN 0.323 nan 8.150 nan 0.000 0.490 128 R N 1.365 121.842 120.500 -0.038 0.000 2.604 128 R HA 0.389 4.729 4.340 -0.000 0.000 0.287 128 R C -2.264 174.045 176.300 0.015 0.000 0.970 128 R CA -2.372 53.695 56.100 -0.055 0.000 0.946 128 R CB 0.585 30.783 30.300 -0.170 0.000 1.127 128 R HN 0.397 nan 8.270 nan 0.000 0.473 129 P HA -0.087 nan 4.420 nan 0.000 0.221 129 P C -0.705 176.601 177.300 0.010 0.000 1.150 129 P CA 1.155 64.264 63.100 0.016 0.000 0.800 129 P CB 0.364 32.085 31.700 0.036 0.000 0.787 130 D N -4.178 116.234 120.400 0.019 0.000 2.738 130 D HA 0.057 4.697 4.640 -0.000 0.000 0.308 130 D C -0.476 175.842 176.300 0.029 0.000 1.311 130 D CA -0.703 53.309 54.000 0.019 0.000 0.799 130 D CB -0.392 40.421 40.800 0.021 0.000 1.332 130 D HN -0.256 nan 8.370 nan 0.000 0.441 131 D N -0.797 119.621 120.400 0.030 0.000 2.403 131 D HA -0.115 4.525 4.640 -0.000 0.000 0.227 131 D C 1.205 177.532 176.300 0.044 0.000 0.995 131 D CA 1.028 55.052 54.000 0.040 0.000 0.928 131 D CB -0.342 40.480 40.800 0.038 0.000 0.887 131 D HN 0.304 nan 8.370 nan 0.000 0.529 132 S N -0.786 114.938 115.700 0.040 0.000 2.528 132 S HA 0.013 4.483 4.470 -0.000 0.000 0.219 132 S C 0.825 175.456 174.600 0.051 0.000 0.985 132 S CA -0.597 57.627 58.200 0.040 0.000 0.914 132 S CB -0.369 62.851 63.200 0.033 0.000 0.776 132 S HN 0.221 nan 8.310 nan 0.000 0.526 133 L N 3.591 124.850 121.223 0.060 0.000 2.454 133 L HA 0.346 4.686 4.340 -0.000 0.000 0.284 133 L C 0.255 177.177 176.870 0.087 0.000 1.139 133 L CA -0.216 54.670 54.840 0.077 0.000 0.911 133 L CB -0.306 41.806 42.059 0.089 0.000 1.262 133 L HN 0.300 nan 8.230 nan 0.000 0.453 134 E N 6.447 126.695 120.200 0.080 0.000 2.493 134 E HA 0.073 4.423 4.350 -0.000 0.000 0.255 134 E C -2.138 174.526 176.600 0.107 0.000 0.999 134 E CA -1.327 55.120 56.400 0.080 0.000 0.934 134 E CB 0.560 30.291 29.700 0.052 0.000 0.940 134 E HN 0.445 nan 8.360 nan 0.000 0.473 135 P HA -0.026 nan 4.420 nan 0.000 0.272 135 P C -0.021 177.368 177.300 0.148 0.000 1.230 135 P CA -0.246 62.947 63.100 0.156 0.000 0.788 135 P CB 0.386 32.169 31.700 0.138 0.000 0.949 136 F N 1.320 121.298 119.950 0.047 0.000 2.065 136 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 136 F C 2.025 177.799 175.800 -0.045 0.000 1.112 136 F CA 1.636 59.607 58.000 -0.048 0.000 1.212 136 F CB -0.764 38.090 39.000 -0.245 0.000 0.975 136 F HN 0.214 nan 8.300 nan 0.000 0.476 137 F N 1.203 121.120 119.950 -0.056 0.000 2.171 137 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 137 F C 2.026 177.750 175.800 -0.126 0.000 1.090 137 F CA 2.127 60.055 58.000 -0.120 0.000 1.293 137 F CB -0.673 38.309 39.000 -0.028 0.000 1.013 137 F HN 0.011 nan 8.300 nan 0.000 0.486 138 D N -1.026 119.403 120.400 0.049 0.000 2.117 138 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 138 D C 2.363 178.588 176.300 -0.125 0.000 0.987 138 D CA 1.651 55.663 54.000 0.020 0.000 0.829 138 D CB -0.164 40.686 40.800 0.083 0.000 0.961 138 D HN 0.155 nan 8.370 nan 0.000 0.460 139 S N 0.108 115.682 115.700 -0.211 0.000 2.383 139 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 139 S C 1.762 176.132 174.600 -0.383 0.000 1.026 139 S CA 0.245 58.289 58.200 -0.260 0.000 0.981 139 S CB -0.224 62.813 63.200 -0.271 0.000 0.818 139 S HN 0.163 nan 8.310 nan 0.000 0.472 140 L N 1.956 122.810 121.223 -0.616 0.000 1.989 140 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 140 L C 2.236 178.847 176.870 -0.431 0.000 1.071 140 L CA 1.645 56.109 54.840 -0.626 0.000 0.749 140 L CB -0.720 40.826 42.059 -0.855 0.000 0.890 140 L HN 0.122 nan 8.230 nan 0.000 0.431 141 V N -0.453 119.202 119.914 -0.431 0.000 2.343 141 V HA -0.299 3.820 4.120 -0.000 0.000 0.247 141 V C 2.577 178.604 176.094 -0.112 0.000 1.051 141 V CA 2.078 64.239 62.300 -0.232 0.000 1.036 141 V CB -0.581 31.158 31.823 -0.139 0.000 0.654 141 V HN 0.454 nan 8.190 nan 0.000 0.451 142 K N -0.465 119.867 120.400 -0.113 0.000 2.057 142 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 142 K C 2.203 178.746 176.600 -0.095 0.000 1.050 142 K CA 1.455 57.703 56.287 -0.065 0.000 0.935 142 K CB -0.144 32.322 32.500 -0.056 0.000 0.715 142 K HN 0.522 nan 8.250 nan 0.000 0.439 143 Q N -0.073 119.637 119.800 -0.149 0.000 2.354 143 Q HA -0.015 4.325 4.340 -0.000 0.000 0.203 143 Q C 0.695 176.571 176.000 -0.206 0.000 0.933 143 Q CA 0.878 56.585 55.803 -0.160 0.000 0.901 143 Q CB 0.625 29.269 28.738 -0.157 0.000 1.007 143 Q HN 0.345 nan 8.270 nan 0.000 0.495 144 T N -4.020 110.406 114.554 -0.213 0.000 2.883 144 T HA 0.290 4.640 4.350 -0.000 0.000 0.284 144 T C -0.102 174.492 174.700 -0.177 0.000 1.041 144 T CA -0.774 61.190 62.100 -0.226 0.000 1.007 144 T CB 1.085 69.856 68.868 -0.161 0.000 1.220 144 T HN 0.104 nan 8.240 nan 0.000 0.552 145 H N -0.936 118.098 119.070 -0.059 0.000 2.487 145 H HA 0.457 5.013 4.556 -0.000 0.000 0.290 145 H C 0.088 175.395 175.328 -0.035 0.000 1.081 145 H CA -0.633 55.391 56.048 -0.041 0.000 1.116 145 H CB 0.419 30.167 29.762 -0.023 0.000 1.560 145 H HN 0.248 nan 8.280 nan 0.000 0.548 146 V N 3.195 123.134 119.914 0.042 0.000 2.644 146 V HA -0.062 4.058 4.120 -0.000 0.000 0.305 146 V C -1.767 174.358 176.094 0.051 0.000 1.053 146 V CA -0.947 61.364 62.300 0.020 0.000 1.186 146 V CB 0.349 32.132 31.823 -0.066 0.000 0.895 146 V HN 0.260 nan 8.190 nan 0.000 0.490 147 P HA -0.025 nan 4.420 nan 0.000 0.265 147 P C -0.003 177.416 177.300 0.198 0.000 1.187 147 P CA 0.096 63.266 63.100 0.118 0.000 0.766 147 P CB 0.225 31.993 31.700 0.113 0.000 0.820 148 N N 3.871 122.696 118.700 0.209 0.000 3.103 148 N HA 0.166 4.906 4.740 -0.000 0.000 0.305 148 N C -0.684 175.051 175.510 0.376 0.000 1.232 148 N CA 0.073 53.333 53.050 0.351 0.000 1.190 148 N CB -1.158 37.487 38.487 0.263 0.000 1.461 148 N HN 0.331 nan 8.380 nan 0.000 0.538 149 L N -1.272 120.215 121.223 0.440 0.000 2.794 149 L HA 0.679 5.019 4.340 -0.000 0.000 0.261 149 L C -1.793 175.245 176.870 0.280 0.000 0.989 149 L CA -1.149 53.816 54.840 0.207 0.000 0.900 149 L CB 1.104 43.207 42.059 0.074 0.000 1.473 149 L HN 0.006 nan 8.230 nan 0.000 0.414 150 F N 0.009 119.935 119.950 -0.040 0.000 2.626 150 F HA 0.938 5.465 4.527 -0.000 0.000 0.311 150 F C -0.722 175.066 175.800 -0.019 0.000 1.088 150 F CA -0.395 57.589 58.000 -0.028 0.000 0.949 150 F CB 1.587 40.481 39.000 -0.176 0.000 1.322 150 F HN 0.717 nan 8.300 nan 0.000 0.461 151 S N 1.702 117.481 115.700 0.133 0.000 2.548 151 S HA 0.871 5.341 4.470 -0.000 0.000 0.286 151 S C -1.547 173.132 174.600 0.132 0.000 1.098 151 S CA -0.812 57.349 58.200 -0.064 0.000 0.930 151 S CB 1.895 64.916 63.200 -0.298 0.000 1.070 151 S HN 0.865 nan 8.310 nan 0.000 0.480 152 L N 1.720 122.979 121.223 0.059 0.000 2.385 152 L HA 0.572 4.912 4.340 -0.000 0.000 0.273 152 L C -0.520 176.469 176.870 0.198 0.000 0.990 152 L CA -0.401 54.532 54.840 0.154 0.000 0.821 152 L CB 2.146 44.299 42.059 0.157 0.000 1.279 152 L HN 0.785 nan 8.230 nan 0.000 0.412 153 Q N 4.740 124.662 119.800 0.203 0.000 2.401 153 Q HA 0.485 4.825 4.340 -0.000 0.000 0.260 153 Q C -1.693 174.268 176.000 -0.065 0.000 1.034 153 Q CA -0.556 55.342 55.803 0.158 0.000 0.737 153 Q CB 1.344 30.160 28.738 0.129 0.000 1.227 153 Q HN 0.612 nan 8.270 nan 0.000 0.488 154 L N 3.195 124.308 121.223 -0.183 0.000 2.275 154 L HA 0.488 4.828 4.340 -0.000 0.000 0.288 154 L C -0.585 176.096 176.870 -0.315 0.000 1.046 154 L CA -0.838 53.680 54.840 -0.536 0.000 0.805 154 L CB 1.291 42.888 42.059 -0.770 0.000 1.193 154 L HN 0.636 nan 8.230 nan 0.000 0.426 155 c N 3.087 121.554 118.600 -0.221 0.000 2.251 155 c HA 0.548 5.118 4.570 -0.000 0.000 0.323 155 c C 1.027 175.157 174.090 0.067 0.000 1.241 155 c CA -0.878 55.428 56.329 -0.039 0.000 1.601 155 c CB 0.246 42.743 42.510 -0.021 0.000 2.251 155 c HN 0.927 nan 8.230 nan 0.000 0.488 156 G N 1.833 110.653 108.800 0.034 0.000 2.415 156 G HA2 0.471 4.431 3.960 -0.000 0.000 0.269 156 G HA3 0.471 4.431 3.960 -0.000 0.000 0.269 156 G C 0.745 175.573 174.900 -0.120 0.000 1.209 156 G CA 0.198 45.307 45.100 0.016 0.000 0.835 156 G HN 0.971 nan 8.290 nan 0.000 0.534 157 A N 0.990 123.648 122.820 -0.271 0.000 2.016 157 A HA 0.416 4.736 4.320 -0.000 0.000 0.217 157 A C 2.155 179.387 177.584 -0.587 0.000 1.162 157 A CA 1.635 53.312 52.037 -0.601 0.000 0.662 157 A CB -0.471 17.845 19.000 -1.141 0.000 0.812 157 A HN 2.288 nan 8.150 nan 0.000 0.450 158 G N -2.313 106.298 108.800 -0.315 0.000 2.175 158 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 158 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 158 G C 0.119 175.125 174.900 0.176 0.000 0.982 158 G CA 0.476 45.558 45.100 -0.030 0.000 0.641 158 G HN 1.472 nan 8.290 nan 0.000 0.527 159 F N -1.630 118.368 119.950 0.080 0.000 2.711 159 F HA 0.825 5.352 4.527 -0.000 0.000 0.313 159 F C -2.665 173.143 175.800 0.012 0.000 1.141 159 F CA -2.648 55.381 58.000 0.049 0.000 0.941 159 F CB 0.571 39.595 39.000 0.039 0.000 1.349 159 F HN -0.014 nan 8.300 nan 0.000 0.464 160 P HA 0.350 nan 4.420 nan 0.000 0.275 160 P C -1.207 176.192 177.300 0.164 0.000 1.228 160 P CA -0.073 63.086 63.100 0.097 0.000 0.786 160 P CB 1.619 33.351 31.700 0.053 0.000 0.927 161 L N 2.865 124.120 121.223 0.054 0.000 2.341 161 L HA 0.389 4.729 4.340 -0.000 0.000 0.278 161 L C 1.236 178.130 176.870 0.039 0.000 1.005 161 L CA -0.813 54.067 54.840 0.067 0.000 0.818 161 L CB 1.513 43.568 42.059 -0.007 0.000 1.259 161 L HN 0.486 nan 8.230 nan 0.000 0.418 162 N N 1.404 120.133 118.700 0.048 0.000 2.364 162 N HA 0.067 4.807 4.740 -0.000 0.000 0.264 162 N C 0.470 175.987 175.510 0.011 0.000 1.263 162 N CA -0.729 52.334 53.050 0.022 0.000 0.959 162 N CB 1.046 39.547 38.487 0.022 0.000 1.204 162 N HN 0.550 nan 8.380 nan 0.000 0.550 163 Q N 0.527 120.327 119.800 0.000 0.000 2.045 163 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 163 Q C 2.230 178.231 176.000 0.001 0.000 0.991 163 Q CA 2.970 58.769 55.803 -0.006 0.000 0.851 163 Q CB -0.390 28.340 28.738 -0.013 0.000 0.911 163 Q HN 0.810 nan 8.270 nan 0.000 0.418 164 S N -0.745 114.958 115.700 0.004 0.000 2.383 164 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 164 S C 1.740 176.350 174.600 0.017 0.000 1.026 164 S CA 1.287 59.491 58.200 0.007 0.000 0.981 164 S CB -0.381 62.823 63.200 0.006 0.000 0.818 164 S HN 0.496 nan 8.310 nan 0.000 0.472 165 E N 0.603 120.818 120.200 0.026 0.000 2.110 165 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 165 E C 2.079 178.695 176.600 0.027 0.000 0.988 165 E CA 1.258 57.681 56.400 0.040 0.000 0.804 165 E CB -0.253 29.489 29.700 0.071 0.000 0.745 165 E HN 0.433 nan 8.360 nan 0.000 0.458 166 V N 1.167 121.091 119.914 0.016 0.000 2.548 166 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 166 V C 2.150 178.259 176.094 0.025 0.000 1.055 166 V CA 1.236 63.539 62.300 0.005 0.000 1.065 166 V CB -0.296 31.530 31.823 0.004 0.000 0.681 166 V HN 0.269 nan 8.190 nan 0.000 0.462 167 L N 0.100 121.344 121.223 0.036 0.000 2.072 167 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 167 L C 2.450 179.340 176.870 0.034 0.000 1.079 167 L CA 1.534 56.405 54.840 0.052 0.000 0.752 167 L CB -0.568 41.508 42.059 0.028 0.000 0.906 167 L HN 0.343 nan 8.230 nan 0.000 0.436 168 A N -0.786 122.046 122.820 0.021 0.000 2.251 168 A HA 0.081 4.400 4.320 -0.000 0.000 0.209 168 A C 1.098 178.688 177.584 0.010 0.000 1.187 168 A CA 0.459 52.505 52.037 0.015 0.000 0.823 168 A CB -0.276 18.733 19.000 0.015 0.000 0.846 168 A HN 0.427 nan 8.150 nan 0.000 0.486 169 S N -1.322 114.382 115.700 0.006 0.000 2.664 169 S HA 0.637 5.107 4.470 -0.000 0.000 0.304 169 S C -0.495 174.093 174.600 -0.019 0.000 1.099 169 S CA -0.675 57.526 58.200 0.001 0.000 1.003 169 S CB 1.594 64.801 63.200 0.012 0.000 1.092 169 S HN 0.115 nan 8.310 nan 0.000 0.525 170 V N 2.107 122.010 119.914 -0.019 0.000 2.406 170 V HA 0.480 4.600 4.120 -0.000 0.000 0.272 170 V C 1.364 177.453 176.094 -0.009 0.000 1.043 170 V CA 0.248 62.531 62.300 -0.029 0.000 0.915 170 V CB 0.848 32.652 31.823 -0.031 0.000 0.988 170 V HN 1.186 nan 8.190 nan 0.000 0.466 171 G N 3.095 111.898 108.800 0.004 0.000 3.042 171 G HA2 0.540 4.500 3.960 -0.000 0.000 0.212 171 G HA3 0.540 4.500 3.960 -0.000 0.000 0.212 171 G C 0.561 175.522 174.900 0.101 0.000 1.166 171 G CA 0.620 45.797 45.100 0.127 0.000 0.767 171 G HN 1.258 nan 8.290 nan 0.000 0.546 172 G N -1.181 107.622 108.800 0.004 0.000 2.340 172 G HA2 0.370 4.330 3.960 -0.000 0.000 0.282 172 G HA3 0.370 4.330 3.960 -0.000 0.000 0.282 172 G C -1.229 173.655 174.900 -0.026 0.000 1.312 172 G CA -0.168 44.906 45.100 -0.044 0.000 0.942 172 G HN 0.626 nan 8.290 nan 0.000 0.495 173 S N -0.448 115.247 115.700 -0.008 0.000 2.536 173 S HA 0.730 5.199 4.470 -0.000 0.000 0.287 173 S C -0.431 174.216 174.600 0.077 0.000 1.101 173 S CA -0.436 57.785 58.200 0.035 0.000 0.950 173 S CB 1.741 64.973 63.200 0.052 0.000 1.056 173 S HN 0.947 nan 8.310 nan 0.000 0.481 174 M N 4.377 124.027 119.600 0.082 0.000 2.046 174 M HA 0.503 4.983 4.480 -0.000 0.000 0.309 174 M C -1.835 174.552 176.300 0.145 0.000 0.935 174 M CA -0.637 54.728 55.300 0.109 0.000 0.915 174 M CB 0.294 32.920 32.600 0.044 0.000 1.474 174 M HN 0.445 nan 8.290 nan 0.000 0.415 175 I N 6.779 127.470 120.570 0.203 0.000 2.304 175 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 175 I C -0.226 176.034 176.117 0.238 0.000 1.018 175 I CA -0.387 61.033 61.300 0.201 0.000 1.260 175 I CB 0.596 38.732 38.000 0.227 0.000 1.390 175 I HN 0.755 nan 8.210 nan 0.000 0.475 176 I N 5.432 126.135 120.570 0.222 0.000 2.312 176 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 176 I C 1.128 177.398 176.117 0.256 0.000 1.031 176 I CA -0.018 61.460 61.300 0.297 0.000 1.293 176 I CB 1.106 39.254 38.000 0.246 0.000 1.403 176 I HN 0.881 nan 8.210 nan 0.000 0.484 177 G N 4.025 113.019 108.800 0.322 0.000 2.141 177 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.242 177 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.242 177 G C 0.174 175.174 174.900 0.167 0.000 0.982 177 G CA -0.206 45.033 45.100 0.232 0.000 0.662 177 G HN 1.153 nan 8.290 nan 0.000 0.527 178 G N -1.316 107.585 108.800 0.168 0.000 2.488 178 G HA2 0.624 4.584 3.960 -0.000 0.000 0.301 178 G HA3 0.624 4.584 3.960 -0.000 0.000 0.301 178 G C -1.506 173.484 174.900 0.150 0.000 1.339 178 G CA -0.497 44.681 45.100 0.131 0.000 0.803 178 G HN 0.758 nan 8.290 nan 0.000 0.482 179 I N 0.914 121.581 120.570 0.161 0.000 2.498 179 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 179 I C -1.377 174.893 176.117 0.255 0.000 1.032 179 I CA -0.668 60.800 61.300 0.279 0.000 1.073 179 I CB 2.321 40.493 38.000 0.286 0.000 1.251 179 I HN 0.361 nan 8.210 nan 0.000 0.426 180 D N 5.301 125.907 120.400 0.343 0.000 2.414 180 D HA 0.229 4.869 4.640 -0.000 0.000 0.232 180 D C 0.864 177.276 176.300 0.186 0.000 1.070 180 D CA -0.280 53.795 54.000 0.125 0.000 0.839 180 D CB 0.819 41.652 40.800 0.055 0.000 1.079 180 D HN 0.584 nan 8.370 nan 0.000 0.521 181 H N 1.183 120.304 119.070 0.085 0.000 2.518 181 H HA -0.124 4.432 4.556 -0.000 0.000 0.292 181 H C 1.980 177.102 175.328 -0.343 0.000 1.068 181 H CA 1.080 57.038 56.048 -0.151 0.000 1.275 181 H CB 0.509 30.181 29.762 -0.151 0.000 1.375 181 H HN 0.336 nan 8.280 nan 0.000 0.563 182 S N 0.697 116.344 115.700 -0.089 0.000 2.555 182 S HA -0.023 4.447 4.470 -0.000 0.000 0.230 182 S C 1.651 176.148 174.600 -0.172 0.000 0.978 182 S CA 0.349 58.471 58.200 -0.131 0.000 0.934 182 S CB -0.223 62.927 63.200 -0.084 0.000 0.766 182 S HN 0.373 nan 8.310 nan 0.000 0.533 183 L N 0.363 121.445 121.223 -0.235 0.000 2.591 183 L HA 0.328 4.668 4.340 -0.000 0.000 0.228 183 L C 0.356 177.113 176.870 -0.189 0.000 1.133 183 L CA -0.245 54.396 54.840 -0.333 0.000 0.880 183 L CB -0.409 41.189 42.059 -0.770 0.000 1.033 183 L HN 0.590 nan 8.230 nan 0.000 0.450 184 Y N -2.566 117.594 120.300 -0.233 0.000 2.670 184 Y HA 0.677 5.227 4.550 -0.000 0.000 0.334 184 Y C -0.414 175.471 175.900 -0.024 0.000 1.185 184 Y CA -1.546 56.510 58.100 -0.073 0.000 1.053 184 Y CB 0.880 39.366 38.460 0.042 0.000 1.298 184 Y HN -0.104 nan 8.280 nan 0.000 0.459 185 T N -1.152 113.485 114.554 0.139 0.000 2.916 185 T HA 0.794 5.144 4.350 -0.000 0.000 0.292 185 T C 0.374 175.173 174.700 0.165 0.000 1.064 185 T CA -0.311 61.801 62.100 0.019 0.000 1.011 185 T CB 1.096 69.976 68.868 0.020 0.000 1.152 185 T HN 2.361 nan 8.240 nan 0.000 0.510 186 G N 1.446 110.296 108.800 0.083 0.000 2.645 186 G HA2 0.060 4.020 3.960 -0.000 0.000 0.246 186 G HA3 0.060 4.020 3.960 -0.000 0.000 0.246 186 G C -0.037 174.981 174.900 0.196 0.000 1.322 186 G CA -0.152 45.024 45.100 0.127 0.000 0.898 186 G HN 2.039 nan 8.290 nan 0.000 0.573 187 S N -1.167 114.632 115.700 0.165 0.000 2.690 187 S HA 0.786 5.256 4.470 -0.000 0.000 0.291 187 S C 0.041 174.638 174.600 -0.005 0.000 1.138 187 S CA -0.841 57.407 58.200 0.081 0.000 1.013 187 S CB 1.939 65.093 63.200 -0.078 0.000 1.053 187 S HN 0.928 nan 8.310 nan 0.000 0.539 188 L N 1.174 122.270 121.223 -0.212 0.000 2.305 188 L HA 0.429 4.769 4.340 -0.000 0.000 0.281 188 L C -1.067 175.436 176.870 -0.612 0.000 1.085 188 L CA -0.373 54.210 54.840 -0.428 0.000 0.813 188 L CB 0.518 42.229 42.059 -0.580 0.000 1.157 188 L HN 0.709 nan 8.230 nan 0.000 0.436 189 W N 2.577 123.459 121.300 -0.697 0.000 2.587 189 W HA 0.460 5.120 4.660 -0.000 0.000 0.324 189 W C -0.740 175.194 176.519 -0.975 0.000 1.040 189 W CA -0.234 56.551 57.345 -0.934 0.000 1.222 189 W CB 1.152 29.651 29.460 -1.601 0.000 1.381 189 W HN 0.204 nan 8.180 nan 0.000 0.483 190 Y N 1.541 121.687 120.300 -0.256 0.000 2.387 190 Y HA 0.549 5.098 4.550 -0.000 0.000 0.336 190 Y C 0.614 176.709 175.900 0.326 0.000 1.067 190 Y CA -0.708 57.400 58.100 0.014 0.000 1.114 190 Y CB 2.126 40.560 38.460 -0.044 0.000 1.208 190 Y HN 0.169 nan 8.280 nan 0.000 0.458 191 T N 4.144 119.038 114.554 0.568 0.000 2.912 191 T HA 0.562 4.912 4.350 -0.000 0.000 0.288 191 T C -2.904 171.987 174.700 0.319 0.000 1.030 191 T CA -2.696 59.700 62.100 0.494 0.000 1.020 191 T CB 1.290 70.412 68.868 0.423 0.000 1.056 191 T HN 0.256 nan 8.240 nan 0.000 0.480 192 P HA 0.413 nan 4.420 nan 0.000 0.282 192 P C -0.608 176.808 177.300 0.193 0.000 1.249 192 P CA -0.455 62.757 63.100 0.186 0.000 0.806 192 P CB 0.422 32.209 31.700 0.145 0.000 0.984 193 I N 3.281 123.967 120.570 0.194 0.000 2.436 193 I HA 0.140 4.310 4.170 -0.000 0.000 0.289 193 I C 2.009 178.233 176.117 0.179 0.000 1.083 193 I CA -0.012 61.428 61.300 0.234 0.000 1.372 193 I CB 0.593 38.762 38.000 0.281 0.000 1.408 193 I HN 0.446 nan 8.210 nan 0.000 0.516 194 R N 5.811 126.430 120.500 0.198 0.000 2.066 194 R HA 0.036 4.376 4.340 -0.000 0.000 0.232 194 R C 0.828 177.193 176.300 0.108 0.000 1.131 194 R CA 1.240 57.432 56.100 0.153 0.000 0.955 194 R CB 0.320 30.729 30.300 0.182 0.000 0.851 194 R HN 0.566 nan 8.270 nan 0.000 0.432 195 R N 0.282 120.879 120.500 0.161 0.000 2.626 195 R HA 0.118 4.458 4.340 -0.000 0.000 0.274 195 R C -1.486 174.884 176.300 0.118 0.000 1.031 195 R CA -0.455 55.670 56.100 0.041 0.000 0.898 195 R CB 1.806 32.012 30.300 -0.157 0.000 1.222 195 R HN 0.094 nan 8.270 nan 0.000 0.455 196 E N 4.324 124.432 120.200 -0.154 0.000 1.802 196 E HA 0.060 4.409 4.350 -0.000 0.000 0.265 196 E C -0.084 176.451 176.600 -0.108 0.000 1.168 196 E CA 0.046 56.107 56.400 -0.564 0.000 1.033 196 E CB 0.222 29.233 29.700 -1.148 0.000 1.095 196 E HN 0.447 nan 8.360 nan 0.000 0.436 197 W N 1.602 122.878 121.300 -0.039 0.000 4.714 197 W HA 0.201 4.861 4.660 -0.000 0.000 0.177 197 W C -0.264 176.246 176.519 -0.016 0.000 2.961 197 W CA -0.215 57.124 57.345 -0.010 0.000 1.926 197 W CB -0.513 28.914 29.460 -0.055 0.000 1.627 197 W HN 0.029 nan 8.180 nan 0.000 0.726 198 Y N 0.343 120.425 120.300 -0.363 0.000 2.344 198 Y HA 0.351 4.901 4.550 -0.000 0.000 0.330 198 Y C -0.231 175.612 175.900 -0.096 0.000 1.330 198 Y CA -0.593 57.298 58.100 -0.348 0.000 1.479 198 Y CB 0.116 38.212 38.460 -0.607 0.000 1.428 198 Y HN -0.181 nan 8.280 nan 0.000 0.544 199 Y N 1.046 121.541 120.300 0.325 0.000 2.632 199 Y HA 0.123 4.673 4.550 -0.000 0.000 0.336 199 Y C 0.332 176.405 175.900 0.288 0.000 1.237 199 Y CA -0.324 57.996 58.100 0.366 0.000 1.595 199 Y CB -0.160 38.532 38.460 0.386 0.000 1.508 199 Y HN 0.403 nan 8.280 nan 0.000 0.480 200 E N 2.904 123.341 120.200 0.396 0.000 2.313 200 E HA 0.478 4.828 4.350 -0.000 0.000 0.276 200 E C -0.781 175.998 176.600 0.298 0.000 1.031 200 E CA -0.550 56.055 56.400 0.343 0.000 0.857 200 E CB 0.884 30.894 29.700 0.516 0.000 1.040 200 E HN 0.424 nan 8.360 nan 0.000 0.408 201 V N 1.401 121.453 119.914 0.230 0.000 3.156 201 V HA 0.645 4.765 4.120 -0.000 0.000 0.311 201 V C -0.573 175.607 176.094 0.144 0.000 1.208 201 V CA -1.011 61.401 62.300 0.186 0.000 1.063 201 V CB 1.635 33.559 31.823 0.169 0.000 1.098 201 V HN 0.630 nan 8.190 nan 0.000 0.452 202 I N 1.525 122.159 120.570 0.107 0.000 2.418 202 I HA 0.495 4.665 4.170 -0.000 0.000 0.287 202 I C -0.732 175.404 176.117 0.033 0.000 1.008 202 I CA -0.413 60.941 61.300 0.090 0.000 1.104 202 I CB 1.864 39.924 38.000 0.101 0.000 1.264 202 I HN 0.496 nan 8.210 nan 0.000 0.438 203 I N 6.638 127.234 120.570 0.043 0.000 2.365 203 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 203 I C 1.049 177.218 176.117 0.088 0.000 1.004 203 I CA -0.278 61.018 61.300 -0.006 0.000 1.311 203 I CB 1.689 39.674 38.000 -0.025 0.000 1.401 203 I HN 0.488 nan 8.210 nan 0.000 0.491 204 V N 2.750 122.689 119.914 0.041 0.000 3.605 204 V HA 0.435 4.555 4.120 -0.000 0.000 0.284 204 V C 0.419 176.560 176.094 0.078 0.000 1.386 204 V CA -0.020 62.331 62.300 0.084 0.000 1.053 204 V CB -0.043 31.794 31.823 0.024 0.000 0.857 204 V HN 0.883 nan 8.190 nan 0.000 0.436 205 R N -0.368 120.115 120.500 -0.027 0.000 2.664 205 R HA 0.644 4.984 4.340 -0.000 0.000 0.260 205 R C -2.520 173.607 176.300 -0.289 0.000 1.062 205 R CA -0.338 55.672 56.100 -0.150 0.000 0.902 205 R CB 2.502 32.502 30.300 -0.500 0.000 1.258 205 R HN 0.055 nan 8.270 nan 0.000 0.465 206 V N 2.678 122.362 119.914 -0.383 0.000 2.638 206 V HA 0.503 4.623 4.120 -0.000 0.000 0.306 206 V C -0.715 175.295 176.094 -0.139 0.000 1.052 206 V CA -0.728 61.367 62.300 -0.342 0.000 0.885 206 V CB 2.005 33.446 31.823 -0.637 0.000 0.999 206 V HN 0.773 nan 8.190 nan 0.000 0.424 207 E N 4.028 124.197 120.200 -0.050 0.000 2.288 207 E HA 0.613 4.963 4.350 -0.000 0.000 0.268 207 E C -1.509 175.086 176.600 -0.008 0.000 0.885 207 E CA -0.858 55.534 56.400 -0.013 0.000 0.767 207 E CB 2.687 32.415 29.700 0.047 0.000 1.220 207 E HN 0.376 nan 8.360 nan 0.000 0.427 208 I N 2.544 123.117 120.570 0.005 0.000 2.420 208 I HA 0.189 4.359 4.170 -0.000 0.000 0.282 208 I C 0.093 176.240 176.117 0.049 0.000 1.019 208 I CA -0.338 60.980 61.300 0.029 0.000 1.130 208 I CB 0.468 38.479 38.000 0.019 0.000 1.262 208 I HN 0.766 nan 8.210 nan 0.000 0.454 209 N N 4.730 123.474 118.700 0.073 0.000 2.725 209 N HA -0.236 4.504 4.740 -0.000 0.000 0.251 209 N C 1.178 176.716 175.510 0.046 0.000 1.031 209 N CA 0.611 53.704 53.050 0.072 0.000 0.720 209 N CB -0.369 38.164 38.487 0.077 0.000 0.930 209 N HN 1.145 nan 8.380 nan 0.000 0.543 210 G N -0.249 108.573 108.800 0.038 0.000 2.212 210 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.266 210 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.266 210 G C -0.093 174.812 174.900 0.009 0.000 0.978 210 G CA 0.761 45.877 45.100 0.027 0.000 0.632 210 G HN 0.610 nan 8.290 nan 0.000 0.537 211 Q N 0.999 120.803 119.800 0.007 0.000 2.296 211 Q HA 0.449 4.789 4.340 -0.000 0.000 0.257 211 Q C -0.403 175.586 176.000 -0.019 0.000 0.942 211 Q CA -0.672 55.127 55.803 -0.007 0.000 0.939 211 Q CB 0.640 29.377 28.738 -0.002 0.000 1.198 211 Q HN 0.231 nan 8.270 nan 0.000 0.429 212 D N 3.617 123.995 120.400 -0.036 0.000 2.450 212 D HA -0.090 4.550 4.640 -0.000 0.000 0.247 212 D C 0.664 176.956 176.300 -0.015 0.000 1.162 212 D CA 0.031 54.003 54.000 -0.047 0.000 0.879 212 D CB 0.921 41.680 40.800 -0.068 0.000 1.163 212 D HN 0.607 nan 8.370 nan 0.000 0.472 213 L N 4.171 125.400 121.223 0.009 0.000 2.201 213 L HA -0.017 4.323 4.340 -0.000 0.000 0.212 213 L C 1.498 178.406 176.870 0.063 0.000 1.105 213 L CA 1.238 56.108 54.840 0.050 0.000 0.775 213 L CB -0.778 41.346 42.059 0.108 0.000 0.913 213 L HN 0.778 nan 8.230 nan 0.000 0.440 214 K N -0.363 120.076 120.400 0.065 0.000 3.125 214 K HA -0.220 4.100 4.320 -0.000 0.000 0.268 214 K C -0.287 176.312 176.600 -0.002 0.000 1.078 214 K CA 0.403 56.702 56.287 0.020 0.000 0.775 214 K CB -0.998 31.497 32.500 -0.009 0.000 1.253 214 K HN 0.319 nan 8.250 nan 0.000 0.486 215 M N 0.271 119.869 119.600 -0.005 0.000 2.654 215 M HA 0.169 4.649 4.480 -0.000 0.000 0.310 215 M C 0.166 176.300 176.300 -0.276 0.000 1.211 215 M CA -0.906 54.300 55.300 -0.158 0.000 0.947 215 M CB 0.932 33.389 32.600 -0.239 0.000 1.647 215 M HN 0.082 nan 8.290 nan 0.000 0.481 216 D N 0.880 121.127 120.400 -0.256 0.000 2.487 216 D HA -0.014 4.625 4.640 -0.000 0.000 0.243 216 D C 1.107 177.171 176.300 -0.392 0.000 1.154 216 D CA -0.273 53.590 54.000 -0.228 0.000 0.876 216 D CB 0.948 41.648 40.800 -0.166 0.000 1.161 216 D HN 0.764 nan 8.370 nan 0.000 0.478 217 c N 3.733 122.158 118.600 -0.292 0.000 2.419 217 c HA -0.023 4.547 4.570 -0.000 0.000 0.283 217 c C 2.204 176.178 174.090 -0.193 0.000 1.373 217 c CA 0.168 56.316 56.329 -0.301 0.000 1.781 217 c CB -0.805 41.703 42.510 -0.002 0.000 1.886 217 c HN 0.690 nan 8.230 nan 0.000 0.520 218 K N 0.751 121.087 120.400 -0.108 0.000 2.211 218 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 218 K C 2.211 178.810 176.600 -0.003 0.000 1.047 218 K CA 1.580 57.876 56.287 0.016 0.000 0.935 218 K CB -0.101 32.434 32.500 0.057 0.000 0.728 218 K HN 0.560 nan 8.250 nan 0.000 0.452 219 E N -0.195 119.898 120.200 -0.178 0.000 2.153 219 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 219 E C 1.767 178.370 176.600 0.004 0.000 0.988 219 E CA 1.310 57.621 56.400 -0.148 0.000 0.811 219 E CB -0.241 29.295 29.700 -0.273 0.000 0.746 219 E HN 0.564 nan 8.360 nan 0.000 0.466 220 Y N 0.752 121.085 120.300 0.055 0.000 2.421 220 Y HA -0.033 4.517 4.550 -0.000 0.000 0.292 220 Y C 1.491 177.424 175.900 0.054 0.000 1.136 220 Y CA 0.345 58.471 58.100 0.043 0.000 1.255 220 Y CB 0.159 38.627 38.460 0.015 0.000 0.991 220 Y HN 0.022 nan 8.280 nan 0.000 0.552 221 N N -0.846 117.983 118.700 0.215 0.000 2.282 221 N HA -0.047 4.693 4.740 -0.000 0.000 0.240 221 N C -0.659 174.933 175.510 0.137 0.000 1.182 221 N CA -0.153 52.997 53.050 0.166 0.000 0.874 221 N CB 0.038 38.635 38.487 0.183 0.000 1.126 221 N HN 0.179 nan 8.380 nan 0.000 0.516 222 Y N 2.887 123.153 120.300 -0.057 0.000 2.828 222 Y HA -0.046 4.504 4.550 -0.000 0.000 0.359 222 Y C 0.996 176.707 175.900 -0.316 0.000 1.258 222 Y CA 0.563 58.505 58.100 -0.262 0.000 1.652 222 Y CB -0.554 37.774 38.460 -0.220 0.000 1.232 222 Y HN 0.332 nan 8.280 nan 0.000 0.513 223 D N 1.771 121.757 120.400 -0.690 0.000 3.188 223 D HA -0.199 4.441 4.640 -0.000 0.000 0.235 223 D C -0.908 175.388 176.300 -0.006 0.000 0.891 223 D CA 1.666 55.360 54.000 -0.509 0.000 2.051 223 D CB -1.138 39.303 40.800 -0.600 0.000 1.262 223 D HN 0.698 nan 8.370 nan 0.000 0.592 224 K N -1.237 119.144 120.400 -0.031 0.000 2.711 224 K HA 0.699 5.019 4.320 -0.000 0.000 0.294 224 K C -1.773 174.834 176.600 0.013 0.000 1.037 224 K CA -0.855 55.483 56.287 0.086 0.000 0.858 224 K CB 1.557 34.119 32.500 0.102 0.000 1.521 224 K HN 0.037 nan 8.250 nan 0.000 0.386 225 S N 0.945 116.679 115.700 0.055 0.000 2.707 225 S HA 0.598 5.068 4.470 -0.000 0.000 0.303 225 S C -0.649 173.977 174.600 0.044 0.000 1.132 225 S CA -0.828 57.394 58.200 0.036 0.000 1.046 225 S CB 0.417 63.661 63.200 0.074 0.000 1.004 225 S HN 0.566 nan 8.310 nan 0.000 0.483 226 I N -0.226 120.343 120.570 -0.001 0.000 3.002 226 I HA 0.834 5.004 4.170 -0.000 0.000 0.310 226 I C -1.255 174.933 176.117 0.120 0.000 1.087 226 I CA -1.243 60.091 61.300 0.056 0.000 1.017 226 I CB 1.848 39.803 38.000 -0.077 0.000 1.226 226 I HN 0.239 nan 8.210 nan 0.000 0.443 227 V N 2.414 122.465 119.914 0.229 0.000 2.370 227 V HA 0.440 4.560 4.120 -0.000 0.000 0.283 227 V C -1.086 175.171 176.094 0.271 0.000 1.023 227 V CA 0.028 62.478 62.300 0.250 0.000 0.857 227 V CB 1.077 33.068 31.823 0.280 0.000 0.985 227 V HN 0.778 nan 8.190 nan 0.000 0.443 228 D N 2.667 123.180 120.400 0.189 0.000 2.386 228 D HA 0.237 4.877 4.640 -0.000 0.000 0.247 228 D C 1.024 177.393 176.300 0.114 0.000 1.336 228 D CA -0.018 54.073 54.000 0.151 0.000 0.976 228 D CB 1.968 42.832 40.800 0.108 0.000 1.257 228 D HN 0.450 nan 8.370 nan 0.000 0.570 229 S N 1.472 117.228 115.700 0.094 0.000 2.474 229 S HA -0.016 4.454 4.470 -0.000 0.000 0.235 229 S C 1.798 176.432 174.600 0.057 0.000 0.997 229 S CA 0.703 58.946 58.200 0.071 0.000 0.949 229 S CB -0.018 63.192 63.200 0.017 0.000 0.766 229 S HN 0.425 nan 8.310 nan 0.000 0.517 230 G N 0.339 109.154 108.800 0.025 0.000 3.088 230 G HA2 0.312 4.272 3.960 -0.000 0.000 0.212 230 G HA3 0.312 4.272 3.960 -0.000 0.000 0.212 230 G C -0.006 174.896 174.900 0.004 0.000 1.173 230 G CA -0.079 45.008 45.100 -0.021 0.000 0.779 230 G HN 0.464 nan 8.290 nan 0.000 0.540 231 T N 0.006 114.584 114.554 0.040 0.000 2.792 231 T HA 0.350 4.700 4.350 -0.000 0.000 0.280 231 T C 1.309 176.041 174.700 0.053 0.000 0.990 231 T CA -0.379 61.743 62.100 0.037 0.000 0.960 231 T CB 1.956 70.844 68.868 0.033 0.000 0.939 231 T HN -0.025 nan 8.240 nan 0.000 0.439 232 T N 3.400 117.981 114.554 0.044 0.000 2.643 232 T HA -0.041 4.309 4.350 -0.000 0.000 0.264 232 T C 1.136 175.864 174.700 0.048 0.000 1.045 232 T CA 1.125 63.258 62.100 0.055 0.000 1.155 232 T CB -0.103 68.788 68.868 0.038 0.000 0.863 232 T HN 0.431 nan 8.240 nan 0.000 0.420 233 N N 0.914 119.626 118.700 0.020 0.000 2.408 233 N HA 0.291 5.031 4.740 -0.000 0.000 0.260 233 N C -0.657 174.855 175.510 0.003 0.000 1.242 233 N CA -0.496 52.552 53.050 -0.003 0.000 0.959 233 N CB 0.290 38.750 38.487 -0.044 0.000 1.201 233 N HN 0.179 nan 8.380 nan 0.000 0.511 234 L N 1.429 122.644 121.223 -0.013 0.000 2.278 234 L HA 0.296 4.636 4.340 -0.000 0.000 0.287 234 L C -0.294 176.561 176.870 -0.024 0.000 1.072 234 L CA -0.313 54.525 54.840 -0.004 0.000 0.819 234 L CB 0.095 42.147 42.059 -0.013 0.000 1.176 234 L HN 0.325 nan 8.230 nan 0.000 0.435 235 R N 6.128 126.617 120.500 -0.018 0.000 2.514 235 R HA 0.666 5.006 4.340 -0.000 0.000 0.301 235 R C -1.237 175.061 176.300 -0.002 0.000 0.962 235 R CA -0.784 55.295 56.100 -0.036 0.000 0.882 235 R CB 2.023 32.287 30.300 -0.060 0.000 1.143 235 R HN 0.593 nan 8.270 nan 0.000 0.452 236 L N 3.152 124.395 121.223 0.032 0.000 2.354 236 L HA 0.521 4.861 4.340 -0.000 0.000 0.269 236 L C -2.366 174.559 176.870 0.092 0.000 1.005 236 L CA -2.742 52.156 54.840 0.097 0.000 0.819 236 L CB 2.242 44.425 42.059 0.207 0.000 1.311 236 L HN 0.247 nan 8.230 nan 0.000 0.423 237 P HA -0.024 nan 4.420 nan 0.000 0.267 237 P C 0.276 177.673 177.300 0.163 0.000 1.200 237 P CA -0.037 63.127 63.100 0.107 0.000 0.772 237 P CB 0.668 32.467 31.700 0.165 0.000 0.855 238 K N 3.323 123.806 120.400 0.138 0.000 2.077 238 K HA -0.269 4.051 4.320 -0.000 0.000 0.213 238 K C 1.454 178.177 176.600 0.206 0.000 1.051 238 K CA 1.953 58.343 56.287 0.172 0.000 0.929 238 K CB -0.112 32.461 32.500 0.122 0.000 0.715 238 K HN 0.290 nan 8.250 nan 0.000 0.451 239 K N -0.027 120.462 120.400 0.149 0.000 2.097 239 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 239 K C 2.040 178.710 176.600 0.117 0.000 1.050 239 K CA 1.347 57.695 56.287 0.101 0.000 0.938 239 K CB 0.045 32.567 32.500 0.037 0.000 0.718 239 K HN 0.023 nan 8.250 nan 0.000 0.442 240 V N 0.971 120.983 119.914 0.163 0.000 2.358 240 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 240 V C 1.945 178.142 176.094 0.170 0.000 1.047 240 V CA 1.548 63.965 62.300 0.194 0.000 1.035 240 V CB -0.516 31.470 31.823 0.271 0.000 0.658 240 V HN 0.221 nan 8.190 nan 0.000 0.452 241 F N 1.461 121.455 119.950 0.073 0.000 2.095 241 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 241 F C 2.474 178.313 175.800 0.065 0.000 1.104 241 F CA 1.956 59.996 58.000 0.068 0.000 1.232 241 F CB -0.220 38.821 39.000 0.069 0.000 0.987 241 F HN 0.129 nan 8.300 nan 0.000 0.475 242 E N 0.587 120.801 120.200 0.024 0.000 2.077 242 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 242 E C 2.450 178.962 176.600 -0.146 0.000 0.989 242 E CA 1.228 57.567 56.400 -0.102 0.000 0.800 242 E CB -1.006 28.712 29.700 0.029 0.000 0.746 242 E HN 0.491 nan 8.360 nan 0.000 0.452 243 A N 1.478 124.260 122.820 -0.063 0.000 1.902 243 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 243 A C 2.420 179.947 177.584 -0.094 0.000 1.181 243 A CA 2.043 54.046 52.037 -0.057 0.000 0.623 243 A CB -0.562 18.441 19.000 0.005 0.000 0.818 243 A HN 0.263 nan 8.150 nan 0.000 0.443 244 A N -0.635 122.124 122.820 -0.101 0.000 1.902 244 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 244 A C 2.230 179.706 177.584 -0.179 0.000 1.181 244 A CA 1.770 53.741 52.037 -0.109 0.000 0.623 244 A CB -0.917 18.038 19.000 -0.075 0.000 0.818 244 A HN 0.375 nan 8.150 nan 0.000 0.443 245 V N 0.278 119.990 119.914 -0.338 0.000 2.358 245 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 245 V C 2.541 178.374 176.094 -0.436 0.000 1.047 245 V CA 2.330 64.375 62.300 -0.425 0.000 1.035 245 V CB -0.605 30.840 31.823 -0.630 0.000 0.658 245 V HN 0.692 nan 8.190 nan 0.000 0.452 246 K N -0.187 120.021 120.400 -0.321 0.000 2.063 246 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 246 K C 2.463 178.941 176.600 -0.204 0.000 1.048 246 K CA 1.922 58.054 56.287 -0.257 0.000 0.928 246 K CB -0.290 32.110 32.500 -0.167 0.000 0.713 246 K HN 0.408 nan 8.250 nan 0.000 0.442 247 S N 0.353 115.963 115.700 -0.149 0.000 2.387 247 S HA -0.037 4.433 4.470 -0.000 0.000 0.226 247 S C 1.886 176.450 174.600 -0.060 0.000 1.026 247 S CA 0.888 59.036 58.200 -0.086 0.000 0.972 247 S CB -0.179 62.989 63.200 -0.052 0.000 0.814 247 S HN 0.341 nan 8.310 nan 0.000 0.477 248 I N 0.964 121.492 120.570 -0.070 0.000 2.315 248 I HA -0.139 4.031 4.170 -0.000 0.000 0.248 248 I C 2.546 178.671 176.117 0.014 0.000 1.117 248 I CA 1.066 62.403 61.300 0.061 0.000 1.404 248 I CB -0.264 37.846 38.000 0.184 0.000 1.071 248 I HN 0.240 nan 8.210 nan 0.000 0.419 249 K N 0.994 121.205 120.400 -0.315 0.000 2.057 249 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 249 K C 2.286 178.836 176.600 -0.084 0.000 1.049 249 K CA 1.571 57.663 56.287 -0.324 0.000 0.931 249 K CB -0.245 31.906 32.500 -0.583 0.000 0.714 249 K HN 0.307 nan 8.250 nan 0.000 0.440 250 A N 1.286 124.048 122.820 -0.096 0.000 1.933 250 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 250 A C 2.312 179.889 177.584 -0.012 0.000 1.175 250 A CA 1.815 53.821 52.037 -0.052 0.000 0.628 250 A CB -0.598 18.369 19.000 -0.056 0.000 0.814 250 A HN 0.346 nan 8.150 nan 0.000 0.444 251 A N 0.026 122.857 122.820 0.018 0.000 2.015 251 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 251 A C 2.179 179.779 177.584 0.026 0.000 1.163 251 A CA 1.928 53.988 52.037 0.040 0.000 0.646 251 A CB -0.574 18.480 19.000 0.089 0.000 0.806 251 A HN 0.992 nan 8.150 nan 0.000 0.448 252 S N -0.308 115.423 115.700 0.052 0.000 2.572 252 S HA 0.058 4.528 4.470 -0.000 0.000 0.228 252 S C 1.422 176.028 174.600 0.010 0.000 0.963 252 S CA 0.633 58.826 58.200 -0.011 0.000 0.939 252 S CB -0.409 62.806 63.200 0.024 0.000 0.804 252 S HN 0.760 nan 8.310 nan 0.000 0.480 253 S N 2.111 117.809 115.700 -0.002 0.000 2.488 253 S HA -0.173 4.297 4.470 -0.000 0.000 0.246 253 S C 1.801 176.352 174.600 -0.082 0.000 0.992 253 S CA 1.389 59.564 58.200 -0.041 0.000 0.963 253 S CB -1.586 61.590 63.200 -0.040 0.000 0.754 253 S HN 0.765 nan 8.310 nan 0.000 0.519 254 T N -1.191 113.315 114.554 -0.080 0.000 3.051 254 T HA 0.133 4.483 4.350 -0.000 0.000 0.269 254 T C 0.393 175.023 174.700 -0.118 0.000 1.127 254 T CA 0.507 62.558 62.100 -0.083 0.000 1.107 254 T CB -0.308 68.520 68.868 -0.066 0.000 0.898 254 T HN 0.592 nan 8.240 nan 0.000 0.517 255 E N 0.296 120.380 120.200 -0.194 0.000 2.293 255 E HA 0.463 4.813 4.350 -0.000 0.000 0.270 255 E C -0.977 175.198 176.600 -0.709 0.000 0.879 255 E CA -1.056 55.127 56.400 -0.361 0.000 0.756 255 E CB 1.458 31.021 29.700 -0.229 0.000 1.208 255 E HN -0.017 nan 8.360 nan 0.000 0.428 256 K N 2.201 122.178 120.400 -0.705 0.000 2.207 256 K HA 0.535 4.855 4.320 -0.000 0.000 0.255 256 K C -0.891 175.216 176.600 -0.823 0.000 0.941 256 K CA -0.448 55.474 56.287 -0.609 0.000 0.825 256 K CB 0.979 33.337 32.500 -0.236 0.000 1.119 256 K HN 0.366 nan 8.250 nan 0.000 0.430 257 F N 2.181 122.199 119.950 0.113 0.000 2.563 257 F HA 0.388 4.915 4.527 -0.000 0.000 0.316 257 F C -1.653 174.212 175.800 0.108 0.000 1.076 257 F CA -2.135 55.836 58.000 -0.048 0.000 0.921 257 F CB 1.387 40.159 39.000 -0.380 0.000 1.209 257 F HN 0.331 nan 8.300 nan 0.000 0.462 258 P HA 0.016 nan 4.420 nan 0.000 0.269 258 P C 0.000 177.501 177.300 0.335 0.000 1.215 258 P CA -0.015 63.211 63.100 0.210 0.000 0.780 258 P CB 1.047 32.826 31.700 0.131 0.000 0.898 259 D N 1.843 122.429 120.400 0.310 0.000 2.149 259 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 259 D C 2.080 178.573 176.300 0.321 0.000 0.990 259 D CA 1.880 56.099 54.000 0.365 0.000 0.839 259 D CB -0.543 40.396 40.800 0.232 0.000 0.948 259 D HN 0.626 nan 8.370 nan 0.000 0.460 260 G N 0.539 109.475 108.800 0.227 0.000 2.450 260 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 260 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 260 G C 1.403 176.411 174.900 0.178 0.000 1.130 260 G CA 0.350 45.559 45.100 0.181 0.000 0.760 260 G HN 0.256 nan 8.290 nan 0.000 0.557 261 F N 0.452 120.401 119.950 -0.001 0.000 2.075 261 F HA -0.015 4.512 4.527 -0.000 0.000 0.297 261 F C 2.266 177.981 175.800 -0.141 0.000 1.113 261 F CA 1.195 59.096 58.000 -0.165 0.000 1.218 261 F CB -0.458 38.295 39.000 -0.411 0.000 0.984 261 F HN 0.216 nan 8.300 nan 0.000 0.472 262 W N 0.580 121.812 121.300 -0.114 0.000 2.468 262 W HA -0.048 4.612 4.660 -0.000 0.000 0.262 262 W C 1.673 178.268 176.519 0.127 0.000 1.241 262 W CA 0.473 57.656 57.345 -0.269 0.000 1.232 262 W CB -0.455 28.948 29.460 -0.095 0.000 1.124 262 W HN 0.032 nan 8.180 nan 0.000 0.597 263 L N 0.217 121.627 121.223 0.312 0.000 2.607 263 L HA 0.328 4.667 4.340 -0.000 0.000 0.228 263 L C 1.770 178.753 176.870 0.188 0.000 1.123 263 L CA 0.467 55.483 54.840 0.293 0.000 0.890 263 L CB -0.691 41.500 42.059 0.220 0.000 1.103 263 L HN 0.165 nan 8.230 nan 0.000 0.468 264 G N 0.582 109.465 108.800 0.139 0.000 2.179 264 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.257 264 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.257 264 G C 0.636 175.577 174.900 0.068 0.000 1.010 264 G CA 0.605 45.753 45.100 0.080 0.000 0.736 264 G HN 0.530 nan 8.290 nan 0.000 0.513 265 E N -0.634 119.615 120.200 0.082 0.000 2.415 265 E HA 0.111 4.461 4.350 -0.000 0.000 0.197 265 E C 1.247 177.894 176.600 0.078 0.000 1.007 265 E CA 0.922 57.368 56.400 0.078 0.000 0.890 265 E CB 0.202 29.954 29.700 0.087 0.000 0.891 265 E HN 0.877 nan 8.360 nan 0.000 0.496 266 Q N 0.759 120.618 119.800 0.098 0.000 2.501 266 Q HA 0.442 4.782 4.340 -0.000 0.000 0.288 266 Q C -0.688 175.400 176.000 0.147 0.000 1.051 266 Q CA -0.925 54.938 55.803 0.100 0.000 0.788 266 Q CB 1.398 30.188 28.738 0.088 0.000 1.469 266 Q HN 0.055 nan 8.270 nan 0.000 0.416 267 L N -0.832 120.448 121.223 0.094 0.000 2.416 267 L HA 0.865 5.205 4.340 -0.000 0.000 0.262 267 L C -0.728 176.131 176.870 -0.018 0.000 1.093 267 L CA -1.140 53.759 54.840 0.098 0.000 0.801 267 L CB 1.341 43.422 42.059 0.036 0.000 1.191 267 L HN 0.459 nan 8.230 nan 0.000 0.459 268 V N 0.317 120.145 119.914 -0.142 0.000 2.604 268 V HA 0.473 4.593 4.120 -0.000 0.000 0.305 268 V C -0.354 175.421 176.094 -0.532 0.000 1.043 268 V CA -0.303 61.675 62.300 -0.537 0.000 0.888 268 V CB 1.800 32.941 31.823 -1.136 0.000 0.995 268 V HN 0.981 nan 8.190 nan 0.000 0.429 269 c N 3.970 122.206 118.600 -0.606 0.000 2.563 269 c HA 0.695 5.265 4.570 -0.000 0.000 0.314 269 c C -0.803 172.997 174.090 -0.484 0.000 1.199 269 c CA -0.979 55.123 56.329 -0.379 0.000 1.564 269 c CB 1.512 43.911 42.510 -0.185 0.000 2.173 269 c HN 0.859 nan 8.230 nan 0.000 0.485 270 W N 1.068 122.380 121.300 0.021 0.000 2.864 270 W HA 0.407 5.067 4.660 -0.000 0.000 0.343 270 W C -0.322 176.204 176.519 0.011 0.000 1.109 270 W CA -0.514 56.838 57.345 0.012 0.000 1.192 270 W CB 1.100 30.559 29.460 -0.001 0.000 1.426 270 W HN 0.674 nan 8.180 nan 0.000 0.529 271 Q N 1.092 121.034 119.800 0.237 0.000 2.386 271 Q HA 0.249 4.589 4.340 -0.000 0.000 0.282 271 Q C 0.478 176.560 176.000 0.137 0.000 1.050 271 Q CA 0.055 55.940 55.803 0.137 0.000 0.918 271 Q CB 0.610 29.409 28.738 0.102 0.000 1.266 271 Q HN 0.434 nan 8.270 nan 0.000 0.423 272 A N 2.036 124.911 122.820 0.092 0.000 2.589 272 A HA 0.164 4.484 4.320 -0.000 0.000 0.259 272 A C 1.336 178.969 177.584 0.081 0.000 1.000 272 A CA 0.929 53.013 52.037 0.078 0.000 0.847 272 A CB -1.142 17.885 19.000 0.044 0.000 0.885 272 A HN 1.103 nan 8.150 nan 0.000 0.508 273 G N 1.917 110.777 108.800 0.100 0.000 2.184 273 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 273 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 273 G C 0.905 175.847 174.900 0.070 0.000 0.975 273 G CA 1.327 46.485 45.100 0.096 0.000 0.642 273 G HN 2.262 nan 8.290 nan 0.000 0.536 274 T N -1.497 113.086 114.554 0.049 0.000 3.145 274 T HA 0.410 4.760 4.350 -0.000 0.000 0.255 274 T C 0.889 175.436 174.700 -0.254 0.000 1.039 274 T CA 0.888 62.971 62.100 -0.028 0.000 0.928 274 T CB 0.176 69.065 68.868 0.035 0.000 1.029 274 T HN 0.372 nan 8.240 nan 0.000 0.554 275 T N 6.003 120.332 114.554 -0.376 0.000 2.822 275 T HA 0.149 4.499 4.350 -0.000 0.000 0.288 275 T C -2.114 171.925 174.700 -1.102 0.000 0.991 275 T CA -0.499 60.941 62.100 -1.100 0.000 1.176 275 T CB 0.650 68.766 68.868 -1.253 0.000 0.951 275 T HN 0.276 nan 8.240 nan 0.000 0.526 276 P HA 0.139 nan 4.420 nan 0.000 0.225 276 P C 0.247 177.361 177.300 -0.309 0.000 1.813 276 P CA -0.455 62.319 63.100 -0.543 0.000 1.013 276 P CB -0.248 31.199 31.700 -0.421 0.000 1.961 277 W N 2.383 123.609 121.300 -0.123 0.000 2.305 277 W HA -0.308 4.352 4.660 -0.000 0.000 0.308 277 W C 2.220 178.799 176.519 0.099 0.000 1.226 277 W CA 1.705 59.052 57.345 0.003 0.000 1.253 277 W CB -1.573 27.866 29.460 -0.036 0.000 1.146 277 W HN 0.298 nan 8.180 nan 0.000 0.507 278 N N 1.694 120.544 118.700 0.250 0.000 2.258 278 N HA -0.243 4.497 4.740 -0.000 0.000 0.187 278 N C 1.471 177.029 175.510 0.079 0.000 1.012 278 N CA 2.295 55.423 53.050 0.131 0.000 0.870 278 N CB -1.146 37.345 38.487 0.007 0.000 0.977 278 N HN 0.447 nan 8.380 nan 0.000 0.434 279 I N -3.878 116.696 120.570 0.006 0.000 2.761 279 I HA 0.143 4.313 4.170 -0.000 0.000 0.261 279 I C -0.297 175.752 176.117 -0.114 0.000 1.198 279 I CA 0.037 61.273 61.300 -0.107 0.000 1.482 279 I CB -0.343 37.517 38.000 -0.234 0.000 1.100 279 I HN -0.144 nan 8.210 nan 0.000 0.445 280 F N 3.862 123.911 119.950 0.165 0.000 2.384 280 F HA 0.478 5.005 4.527 -0.000 0.000 0.338 280 F C -1.893 174.071 175.800 0.274 0.000 1.103 280 F CA -2.599 55.565 58.000 0.273 0.000 1.157 280 F CB 0.187 39.359 39.000 0.286 0.000 1.167 280 F HN -0.101 nan 8.300 nan 0.000 0.529 281 P HA 0.217 nan 4.420 nan 0.000 0.276 281 P C -0.806 176.743 177.300 0.416 0.000 1.244 281 P CA -0.307 63.004 63.100 0.352 0.000 0.801 281 P CB 1.562 33.418 31.700 0.260 0.000 1.006 282 V N -0.363 119.717 119.914 0.276 0.000 2.904 282 V HA 0.504 4.623 4.120 -0.000 0.000 0.305 282 V C 0.203 176.422 176.094 0.208 0.000 1.067 282 V CA -0.580 61.875 62.300 0.259 0.000 1.044 282 V CB 0.364 32.283 31.823 0.159 0.000 1.050 282 V HN 0.314 nan 8.190 nan 0.000 0.475 283 I N 2.024 122.702 120.570 0.180 0.000 2.466 283 I HA 0.470 4.639 4.170 -0.000 0.000 0.289 283 I C -0.214 175.913 176.117 0.017 0.000 1.026 283 I CA -0.174 61.167 61.300 0.069 0.000 1.078 283 I CB 2.098 40.109 38.000 0.020 0.000 1.249 283 I HN 0.691 nan 8.210 nan 0.000 0.429 284 S N 6.924 122.599 115.700 -0.042 0.000 2.454 284 S HA 0.660 5.130 4.470 -0.000 0.000 0.306 284 S C -0.502 173.997 174.600 -0.168 0.000 1.100 284 S CA -0.609 57.509 58.200 -0.137 0.000 1.087 284 S CB 1.399 64.496 63.200 -0.172 0.000 1.019 284 S HN 0.347 nan 8.310 nan 0.000 0.480 285 L N 3.539 124.595 121.223 -0.278 0.000 2.325 285 L HA 0.509 4.849 4.340 -0.000 0.000 0.281 285 L C -1.347 175.281 176.870 -0.405 0.000 1.004 285 L CA -0.802 53.867 54.840 -0.284 0.000 0.823 285 L CB 0.887 42.761 42.059 -0.307 0.000 1.236 285 L HN 0.604 nan 8.230 nan 0.000 0.415 286 Y N 3.766 123.815 120.300 -0.418 0.000 2.320 286 Y HA 0.514 5.064 4.550 -0.000 0.000 0.334 286 Y C 0.057 175.671 175.900 -0.476 0.000 1.055 286 Y CA -0.314 57.512 58.100 -0.457 0.000 1.143 286 Y CB 1.241 39.480 38.460 -0.369 0.000 1.193 286 Y HN 0.358 nan 8.280 nan 0.000 0.477 287 L N 4.146 125.007 121.223 -0.603 0.000 2.334 287 L HA 0.478 4.818 4.340 -0.000 0.000 0.276 287 L C 0.006 176.658 176.870 -0.363 0.000 1.014 287 L CA -1.018 53.480 54.840 -0.570 0.000 0.815 287 L CB 1.765 43.266 42.059 -0.931 0.000 1.268 287 L HN 0.608 nan 8.230 nan 0.000 0.428 288 M N 1.584 121.124 119.600 -0.101 0.000 2.248 288 M HA 0.191 4.671 4.480 -0.000 0.000 0.345 288 M C 0.497 176.905 176.300 0.179 0.000 1.243 288 M CA 0.311 55.642 55.300 0.051 0.000 1.090 288 M CB 0.678 33.326 32.600 0.080 0.000 1.683 288 M HN 0.727 nan 8.290 nan 0.000 0.450 289 G N 3.180 112.144 108.800 0.273 0.000 2.543 289 G HA2 0.219 4.178 3.960 -0.000 0.000 0.290 289 G HA3 0.219 4.178 3.960 -0.000 0.000 0.290 289 G C 0.100 175.177 174.900 0.295 0.000 1.310 289 G CA -0.402 44.956 45.100 0.430 0.000 1.025 289 G HN 0.888 nan 8.290 nan 0.000 0.502 290 E N -1.468 118.896 120.200 0.273 0.000 2.230 290 E HA 0.019 4.369 4.350 -0.000 0.000 0.192 290 E C 0.557 177.232 176.600 0.125 0.000 0.987 290 E CA 0.117 56.617 56.400 0.168 0.000 0.841 290 E CB 0.370 30.141 29.700 0.118 0.000 0.783 290 E HN 0.074 nan 8.360 nan 0.000 0.481 291 V N 2.471 122.471 119.914 0.144 0.000 2.607 291 V HA 0.027 4.147 4.120 -0.000 0.000 0.289 291 V C 0.406 176.566 176.094 0.111 0.000 1.053 291 V CA -0.234 62.132 62.300 0.110 0.000 0.996 291 V CB 1.518 33.409 31.823 0.114 0.000 0.995 291 V HN 0.131 nan 8.190 nan 0.000 0.476 292 T N 5.433 120.036 114.554 0.081 0.000 2.933 292 T HA -0.006 4.344 4.350 -0.000 0.000 0.306 292 T C 0.888 175.637 174.700 0.082 0.000 1.045 292 T CA 0.131 62.275 62.100 0.073 0.000 1.143 292 T CB -0.224 68.676 68.868 0.053 0.000 1.003 292 T HN 0.832 nan 8.240 nan 0.000 0.540 293 N N 0.909 119.657 118.700 0.080 0.000 2.708 293 N HA -0.186 4.553 4.740 -0.000 0.000 0.249 293 N C -0.180 175.394 175.510 0.107 0.000 1.097 293 N CA 0.934 54.032 53.050 0.081 0.000 0.710 293 N CB -0.729 37.796 38.487 0.063 0.000 1.032 293 N HN 0.850 nan 8.380 nan 0.000 0.551 294 Q N 0.193 120.075 119.800 0.137 0.000 2.372 294 Q HA 0.601 4.941 4.340 -0.000 0.000 0.273 294 Q C -0.742 175.393 176.000 0.226 0.000 1.078 294 Q CA -0.586 55.326 55.803 0.182 0.000 0.806 294 Q CB 1.731 30.588 28.738 0.198 0.000 1.332 294 Q HN 0.288 nan 8.270 nan 0.000 0.435 295 S N 2.031 117.889 115.700 0.264 0.000 2.697 295 S HA 0.888 5.358 4.470 -0.000 0.000 0.289 295 S C -0.994 173.813 174.600 0.345 0.000 1.149 295 S CA -0.700 57.659 58.200 0.265 0.000 0.850 295 S CB 1.222 64.537 63.200 0.192 0.000 1.151 295 S HN 0.647 nan 8.310 nan 0.000 0.491 296 F N -1.291 118.705 119.950 0.076 0.000 2.664 296 F HA 0.887 5.414 4.527 -0.000 0.000 0.317 296 F C -0.778 174.869 175.800 -0.254 0.000 1.108 296 F CA -1.280 56.608 58.000 -0.187 0.000 0.957 296 F CB 1.319 39.886 39.000 -0.721 0.000 1.365 296 F HN 0.974 nan 8.300 nan 0.000 0.475 297 R N 1.835 122.145 120.500 -0.317 0.000 2.807 297 R HA 0.863 5.203 4.340 -0.000 0.000 0.276 297 R C -1.564 174.462 176.300 -0.456 0.000 0.979 297 R CA -0.973 54.687 56.100 -0.733 0.000 0.928 297 R CB 2.570 32.051 30.300 -1.365 0.000 1.191 297 R HN 0.992 nan 8.270 nan 0.000 0.471 298 I N -0.941 119.300 120.570 -0.548 0.000 2.509 298 I HA 0.549 4.719 4.170 -0.000 0.000 0.293 298 I C -1.105 174.867 176.117 -0.242 0.000 1.020 298 I CA -0.762 60.259 61.300 -0.465 0.000 1.088 298 I CB 2.612 40.017 38.000 -0.993 0.000 1.267 298 I HN 0.528 nan 8.210 nan 0.000 0.430 299 T N 7.143 121.711 114.554 0.023 0.000 2.824 299 T HA 0.667 5.017 4.350 -0.000 0.000 0.282 299 T C -0.153 174.676 174.700 0.214 0.000 0.993 299 T CA -0.449 61.692 62.100 0.068 0.000 0.967 299 T CB 1.596 70.475 68.868 0.020 0.000 0.960 299 T HN 0.659 nan 8.240 nan 0.000 0.441 300 I N 0.479 121.162 120.570 0.189 0.000 2.910 300 I HA 0.751 4.921 4.170 -0.000 0.000 0.310 300 I C -0.946 175.279 176.117 0.180 0.000 1.043 300 I CA -1.432 59.972 61.300 0.174 0.000 1.053 300 I CB 1.318 39.453 38.000 0.226 0.000 1.242 300 I HN 0.417 nan 8.210 nan 0.000 0.452 301 L N 2.368 123.652 121.223 0.102 0.000 2.331 301 L HA 0.545 4.885 4.340 -0.000 0.000 0.268 301 L C -1.577 175.202 176.870 -0.151 0.000 1.015 301 L CA -1.726 53.144 54.840 0.049 0.000 0.807 301 L CB 1.357 43.399 42.059 -0.028 0.000 1.293 301 L HN 0.424 nan 8.230 nan 0.000 0.451 302 P HA -0.139 nan 4.420 nan 0.000 0.220 302 P C 0.902 177.908 177.300 -0.491 0.000 1.148 302 P CA 1.075 63.632 63.100 -0.904 0.000 0.803 302 P CB 0.293 31.815 31.700 -0.297 0.000 0.782 303 Q N -0.499 119.012 119.800 -0.482 0.000 2.364 303 Q HA -0.164 4.176 4.340 -0.000 0.000 0.209 303 Q C 2.178 178.037 176.000 -0.235 0.000 0.977 303 Q CA 1.459 56.907 55.803 -0.592 0.000 0.885 303 Q CB -0.438 27.855 28.738 -0.740 0.000 0.941 303 Q HN 0.299 nan 8.270 nan 0.000 0.464 304 Q N -1.676 118.025 119.800 -0.166 0.000 2.200 304 Q HA -0.030 4.310 4.340 -0.000 0.000 0.197 304 Q C 1.263 177.289 176.000 0.043 0.000 0.953 304 Q CA 0.980 56.766 55.803 -0.028 0.000 0.851 304 Q CB -0.022 28.736 28.738 0.032 0.000 0.938 304 Q HN 0.681 nan 8.270 nan 0.000 0.488 305 Y N -1.276 119.049 120.300 0.042 0.000 2.490 305 Y HA 0.379 4.928 4.550 -0.000 0.000 0.281 305 Y C -0.220 175.698 175.900 0.029 0.000 1.174 305 Y CA -0.211 57.895 58.100 0.011 0.000 1.295 305 Y CB -0.102 38.356 38.460 -0.003 0.000 1.062 305 Y HN -0.163 nan 8.280 nan 0.000 0.522 306 L N 3.062 124.279 121.223 -0.010 0.000 2.277 306 L HA 0.435 4.775 4.340 -0.000 0.000 0.284 306 L C -0.044 176.978 176.870 0.254 0.000 1.028 306 L CA -0.689 54.215 54.840 0.107 0.000 0.835 306 L CB 1.274 43.253 42.059 -0.134 0.000 1.215 306 L HN 0.092 nan 8.230 nan 0.000 0.425 307 R N 5.104 125.763 120.500 0.267 0.000 2.267 307 R HA 0.326 4.666 4.340 -0.000 0.000 0.319 307 R C -2.418 174.068 176.300 0.309 0.000 1.067 307 R CA -1.382 54.865 56.100 0.244 0.000 0.936 307 R CB 0.919 31.302 30.300 0.137 0.000 1.006 307 R HN 0.214 nan 8.270 nan 0.000 0.452 308 P HA -0.020 nan 4.420 nan 0.000 0.268 308 P C -1.243 176.045 177.300 -0.019 0.000 1.204 308 P CA -0.179 62.941 63.100 0.034 0.000 0.768 308 P CB 1.009 32.752 31.700 0.073 0.000 0.842 309 V N -0.195 119.659 119.914 -0.099 0.000 2.888 309 V HA 0.595 4.715 4.120 -0.000 0.000 0.309 309 V C -0.338 175.715 176.094 -0.069 0.000 1.114 309 V CA -1.310 60.962 62.300 -0.047 0.000 0.940 309 V CB 2.034 33.850 31.823 -0.012 0.000 1.021 309 V HN 0.229 nan 8.190 nan 0.000 0.426 310 E N 1.860 122.039 120.200 -0.036 0.000 2.390 310 E HA 0.319 4.669 4.350 -0.000 0.000 0.261 310 E C -0.775 175.804 176.600 -0.036 0.000 1.076 310 E CA 0.235 56.616 56.400 -0.031 0.000 0.905 310 E CB 1.174 30.867 29.700 -0.012 0.000 0.984 310 E HN 0.955 nan 8.360 nan 0.000 0.427 311 D N 2.811 123.190 120.400 -0.035 0.000 2.454 311 D HA 0.070 4.710 4.640 -0.000 0.000 0.225 311 D C 0.883 177.171 176.300 -0.020 0.000 1.081 311 D CA -0.206 53.775 54.000 -0.032 0.000 0.864 311 D CB 0.784 41.561 40.800 -0.038 0.000 1.040 311 D HN 0.263 nan 8.370 nan 0.000 0.517 312 V N 2.548 122.452 119.914 -0.016 0.000 2.594 312 V HA 0.054 4.174 4.120 -0.000 0.000 0.253 312 V C 1.108 177.195 176.094 -0.011 0.000 1.069 312 V CA 0.975 63.268 62.300 -0.011 0.000 1.082 312 V CB -1.141 30.678 31.823 -0.008 0.000 0.680 312 V HN 0.572 nan 8.190 nan 0.000 0.469 313 A N 2.128 124.940 122.820 -0.013 0.000 2.545 313 A HA 0.328 4.647 4.320 -0.000 0.000 0.253 313 A C 0.901 178.477 177.584 -0.013 0.000 1.074 313 A CA 0.859 52.888 52.037 -0.013 0.000 0.760 313 A CB -0.681 18.308 19.000 -0.018 0.000 1.005 313 A HN 1.001 nan 8.150 nan 0.000 0.506 314 T N 2.141 116.689 114.554 -0.009 0.000 2.751 314 T HA 0.437 4.787 4.350 -0.000 0.000 0.279 314 T C 0.231 174.927 174.700 -0.008 0.000 0.941 314 T CA 0.506 62.601 62.100 -0.008 0.000 1.192 314 T CB -1.039 67.825 68.868 -0.006 0.000 0.883 314 T HN 2.000 nan 8.240 nan 0.000 0.534 315 S N 3.483 119.178 115.700 -0.008 0.000 2.643 315 S HA 0.340 4.810 4.470 -0.000 0.000 0.266 315 S C -0.317 174.281 174.600 -0.004 0.000 1.130 315 S CA -1.009 57.188 58.200 -0.006 0.000 0.817 315 S CB 1.364 64.559 63.200 -0.007 0.000 1.107 315 S HN 0.484 nan 8.310 nan 0.000 0.471 316 Q N 0.792 120.593 119.800 0.001 0.000 2.201 316 Q HA 0.326 4.666 4.340 -0.000 0.000 0.217 316 Q C -0.832 175.178 176.000 0.015 0.000 0.860 316 Q CA -0.027 55.778 55.803 0.004 0.000 0.984 316 Q CB -0.353 28.387 28.738 0.005 0.000 1.095 316 Q HN 0.593 nan 8.270 nan 0.000 0.477 317 D N 1.393 121.801 120.400 0.014 0.000 2.382 317 D HA 0.073 4.713 4.640 -0.000 0.000 0.240 317 D C -0.317 175.997 176.300 0.024 0.000 1.146 317 D CA 0.335 54.354 54.000 0.032 0.000 0.897 317 D CB 0.739 41.545 40.800 0.010 0.000 1.197 317 D HN -0.111 nan 8.370 nan 0.000 0.432 318 D N 0.670 121.116 120.400 0.076 0.000 2.329 318 D HA 0.262 4.902 4.640 -0.000 0.000 0.232 318 D C -0.455 175.810 176.300 -0.060 0.000 1.088 318 D CA -0.202 53.812 54.000 0.023 0.000 0.835 318 D CB 0.694 41.613 40.800 0.198 0.000 1.078 318 D HN 0.172 nan 8.370 nan 0.000 0.495 319 c N 2.591 120.982 118.600 -0.348 0.000 2.529 319 c HA 0.701 5.271 4.570 -0.000 0.000 0.329 319 c C -0.669 173.054 174.090 -0.612 0.000 1.194 319 c CA -0.683 55.466 56.329 -0.301 0.000 1.779 319 c CB 0.320 42.736 42.510 -0.156 0.000 2.322 319 c HN 0.557 nan 8.230 nan 0.000 0.500 320 Y N -0.176 120.163 120.300 0.064 0.000 2.609 320 Y HA 0.572 5.122 4.550 -0.000 0.000 0.336 320 Y C -0.237 175.752 175.900 0.148 0.000 1.129 320 Y CA -0.906 57.267 58.100 0.123 0.000 1.040 320 Y CB 1.329 39.894 38.460 0.175 0.000 1.310 320 Y HN 0.565 nan 8.280 nan 0.000 0.460 321 K N 1.132 121.725 120.400 0.322 0.000 2.259 321 K HA 0.516 4.836 4.320 -0.000 0.000 0.249 321 K C -1.569 175.164 176.600 0.222 0.000 0.942 321 K CA -0.743 55.684 56.287 0.234 0.000 0.816 321 K CB 1.223 33.799 32.500 0.127 0.000 1.155 321 K HN 0.577 nan 8.250 nan 0.000 0.428 322 F N 3.073 122.892 119.950 -0.217 0.000 2.471 322 F HA 0.303 4.830 4.527 -0.000 0.000 0.365 322 F C 0.108 175.873 175.800 -0.060 0.000 1.095 322 F CA -0.456 57.352 58.000 -0.319 0.000 1.174 322 F CB 0.776 39.233 39.000 -0.905 0.000 1.105 322 F HN 0.609 nan 8.300 nan 0.000 0.535 323 A N 8.054 130.733 122.820 -0.234 0.000 2.833 323 A HA 0.444 4.763 4.320 -0.000 0.000 0.293 323 A C -0.065 177.333 177.584 -0.310 0.000 1.338 323 A CA -0.251 51.676 52.037 -0.185 0.000 0.959 323 A CB -1.079 17.912 19.000 -0.015 0.000 1.094 323 A HN 0.626 nan 8.150 nan 0.000 0.569 324 I N 0.983 121.148 120.570 -0.674 0.000 2.465 324 I HA 0.439 4.609 4.170 -0.000 0.000 0.291 324 I C -0.050 175.994 176.117 -0.121 0.000 1.014 324 I CA -0.383 60.668 61.300 -0.415 0.000 1.093 324 I CB 2.392 40.072 38.000 -0.532 0.000 1.267 324 I HN 0.321 nan 8.210 nan 0.000 0.431 325 S N 4.097 119.742 115.700 -0.091 0.000 2.651 325 S HA 0.543 5.013 4.470 -0.000 0.000 0.279 325 S C -1.020 173.164 174.600 -0.694 0.000 1.148 325 S CA -1.066 56.898 58.200 -0.394 0.000 0.837 325 S CB 1.770 64.822 63.200 -0.247 0.000 1.138 325 S HN 0.625 nan 8.310 nan 0.000 0.478 326 Q N 0.283 119.418 119.800 -1.109 0.000 2.312 326 Q HA 0.723 5.063 4.340 -0.000 0.000 0.236 326 Q C -0.381 175.447 176.000 -0.287 0.000 0.965 326 Q CA -0.655 54.746 55.803 -0.671 0.000 0.894 326 Q CB 1.121 29.497 28.738 -0.604 0.000 1.225 326 Q HN 0.624 nan 8.270 nan 0.000 0.478 327 S N 0.018 115.627 115.700 -0.152 0.000 2.568 327 S HA 0.413 4.883 4.470 -0.000 0.000 0.293 327 S C -0.226 174.325 174.600 -0.083 0.000 1.089 327 S CA -0.242 57.894 58.200 -0.107 0.000 0.945 327 S CB 1.698 64.842 63.200 -0.094 0.000 1.077 327 S HN 0.744 nan 8.310 nan 0.000 0.485 328 S N 0.817 116.465 115.700 -0.087 0.000 2.650 328 S HA 0.172 4.642 4.470 -0.000 0.000 0.240 328 S C 0.579 175.094 174.600 -0.142 0.000 1.007 328 S CA 0.323 58.472 58.200 -0.085 0.000 0.984 328 S CB -0.165 63.006 63.200 -0.050 0.000 0.910 328 S HN 0.902 nan 8.310 nan 0.000 0.509 329 T N -1.807 112.654 114.554 -0.155 0.000 3.339 329 T HA 0.638 4.988 4.350 -0.000 0.000 0.292 329 T C 0.839 175.403 174.700 -0.227 0.000 1.012 329 T CA 0.009 61.995 62.100 -0.191 0.000 0.937 329 T CB 0.111 68.888 68.868 -0.153 0.000 1.164 329 T HN 1.265 nan 8.240 nan 0.000 0.509 330 G N 1.177 109.843 108.800 -0.224 0.000 2.631 330 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.504 330 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.504 330 G C -0.485 174.354 174.900 -0.102 0.000 1.306 330 G CA -0.651 44.341 45.100 -0.179 0.000 0.897 330 G HN 0.488 nan 8.290 nan 0.000 0.520 331 T N 0.128 114.649 114.554 -0.055 0.000 2.869 331 T HA 0.510 4.860 4.350 -0.000 0.000 0.295 331 T C 0.273 174.945 174.700 -0.046 0.000 0.987 331 T CA 0.082 62.167 62.100 -0.023 0.000 1.109 331 T CB 1.408 70.285 68.868 0.015 0.000 0.932 331 T HN 1.132 nan 8.240 nan 0.000 0.518 332 V N 4.951 124.846 119.914 -0.033 0.000 2.409 332 V HA 0.317 4.437 4.120 -0.000 0.000 0.290 332 V C -0.046 176.058 176.094 0.016 0.000 1.017 332 V CA -0.699 61.588 62.300 -0.022 0.000 0.841 332 V CB 1.404 33.206 31.823 -0.035 0.000 1.003 332 V HN 0.905 nan 8.190 nan 0.000 0.426 333 M N 4.594 124.222 119.600 0.047 0.000 2.497 333 M HA 0.374 4.854 4.480 -0.000 0.000 0.336 333 M C 0.978 177.340 176.300 0.103 0.000 1.378 333 M CA 0.190 55.535 55.300 0.075 0.000 1.375 333 M CB 0.487 33.146 32.600 0.098 0.000 1.337 333 M HN 0.809 nan 8.290 nan 0.000 0.461 334 G N 0.984 109.834 108.800 0.083 0.000 2.510 334 G HA2 0.482 4.442 3.960 -0.000 0.000 0.280 334 G HA3 0.482 4.442 3.960 -0.000 0.000 0.280 334 G C 0.879 175.847 174.900 0.114 0.000 1.386 334 G CA -0.036 45.118 45.100 0.090 0.000 1.047 334 G HN 0.728 nan 8.290 nan 0.000 0.527 335 A N -1.358 121.532 122.820 0.116 0.000 1.948 335 A HA -0.047 4.273 4.320 -0.000 0.000 0.220 335 A C 2.536 180.197 177.584 0.128 0.000 1.177 335 A CA 2.010 54.130 52.037 0.138 0.000 0.636 335 A CB -0.785 18.341 19.000 0.211 0.000 0.815 335 A HN 0.548 nan 8.150 nan 0.000 0.449 336 V N 0.312 120.295 119.914 0.114 0.000 2.332 336 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 336 V C 2.368 178.534 176.094 0.121 0.000 1.055 336 V CA 1.998 64.362 62.300 0.106 0.000 1.038 336 V CB -0.466 31.411 31.823 0.090 0.000 0.651 336 V HN 0.551 nan 8.190 nan 0.000 0.450 337 I N -1.019 119.641 120.570 0.148 0.000 2.333 337 I HA -0.152 4.018 4.170 -0.000 0.000 0.246 337 I C 2.349 178.648 176.117 0.303 0.000 1.106 337 I CA 1.599 63.033 61.300 0.224 0.000 1.411 337 I CB -1.130 36.989 38.000 0.197 0.000 1.082 337 I HN 0.293 nan 8.210 nan 0.000 0.420 338 M N 0.108 119.848 119.600 0.234 0.000 2.358 338 M HA -0.179 4.301 4.480 -0.000 0.000 0.264 338 M C 1.855 178.223 176.300 0.112 0.000 1.064 338 M CA 1.334 56.768 55.300 0.222 0.000 1.093 338 M CB -0.454 32.228 32.600 0.137 0.000 1.401 338 M HN 0.226 nan 8.290 nan 0.000 0.440 339 E N -0.058 120.172 120.200 0.050 0.000 2.338 339 E HA -0.103 4.247 4.350 -0.000 0.000 0.197 339 E C 1.977 178.521 176.600 -0.093 0.000 1.007 339 E CA 0.794 57.183 56.400 -0.019 0.000 0.849 339 E CB -0.114 29.595 29.700 0.014 0.000 0.774 339 E HN 0.618 nan 8.360 nan 0.000 0.506 340 G N -0.144 108.512 108.800 -0.239 0.000 2.683 340 G HA2 0.048 4.008 3.960 -0.000 0.000 0.213 340 G HA3 0.048 4.008 3.960 -0.000 0.000 0.213 340 G C 0.205 174.422 174.900 -1.138 0.000 1.142 340 G CA 0.007 44.660 45.100 -0.745 0.000 0.793 340 G HN -0.006 nan 8.290 nan 0.000 0.534 341 F N -2.304 117.678 119.950 0.053 0.000 2.620 341 F HA 0.517 5.044 4.527 -0.000 0.000 0.320 341 F C -0.896 174.971 175.800 0.111 0.000 1.069 341 F CA -1.869 56.184 58.000 0.087 0.000 0.953 341 F CB 1.323 40.422 39.000 0.164 0.000 1.322 341 F HN -0.103 nan 8.300 nan 0.000 0.479 342 Y N 1.902 122.279 120.300 0.128 0.000 2.327 342 Y HA 0.662 5.212 4.550 -0.000 0.000 0.336 342 Y C -1.019 174.785 175.900 -0.159 0.000 1.035 342 Y CA -1.492 56.601 58.100 -0.012 0.000 1.165 342 Y CB 0.855 39.305 38.460 -0.016 0.000 1.181 342 Y HN 0.311 nan 8.280 nan 0.000 0.494 343 V N 7.314 126.948 119.914 -0.466 0.000 2.448 343 V HA 0.400 4.520 4.120 -0.000 0.000 0.295 343 V C -0.742 174.782 176.094 -0.950 0.000 1.025 343 V CA -1.020 60.789 62.300 -0.819 0.000 0.859 343 V CB 1.465 32.854 31.823 -0.723 0.000 0.988 343 V HN 0.558 nan 8.190 nan 0.000 0.431 344 V N 5.491 124.780 119.914 -1.042 0.000 2.347 344 V HA 0.435 4.555 4.120 -0.000 0.000 0.280 344 V C -0.525 175.072 176.094 -0.829 0.000 1.021 344 V CA -0.310 61.521 62.300 -0.782 0.000 0.847 344 V CB 1.197 32.684 31.823 -0.560 0.000 0.990 344 V HN 0.719 nan 8.190 nan 0.000 0.444 345 F N 2.960 122.428 119.950 -0.804 0.000 2.384 345 F HA 0.296 4.823 4.527 -0.000 0.000 0.359 345 F C 0.785 176.245 175.800 -0.566 0.000 1.143 345 F CA -0.457 57.007 58.000 -0.893 0.000 1.216 345 F CB 0.548 38.469 39.000 -1.798 0.000 1.512 345 F HN 0.426 nan 8.300 nan 0.000 0.573 346 D N 3.081 123.385 120.400 -0.161 0.000 2.558 346 D HA 0.104 4.744 4.640 -0.000 0.000 0.221 346 D C 1.400 177.739 176.300 0.065 0.000 1.143 346 D CA 0.075 54.052 54.000 -0.038 0.000 1.010 346 D CB 0.268 41.049 40.800 -0.032 0.000 1.068 346 D HN 0.448 nan 8.370 nan 0.000 0.511 347 R N 1.548 122.127 120.500 0.131 0.000 2.096 347 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 347 R C 2.144 178.569 176.300 0.208 0.000 1.127 347 R CA 1.430 57.699 56.100 0.281 0.000 0.968 347 R CB -0.049 30.464 30.300 0.354 0.000 0.861 347 R HN 0.361 nan 8.270 nan 0.000 0.440 348 A N 1.298 124.207 122.820 0.149 0.000 1.883 348 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 348 A C 1.788 179.405 177.584 0.055 0.000 1.186 348 A CA 1.412 53.510 52.037 0.101 0.000 0.624 348 A CB -0.260 18.786 19.000 0.077 0.000 0.822 348 A HN 0.235 nan 8.150 nan 0.000 0.444 349 R N -1.440 119.073 120.500 0.021 0.000 2.427 349 R HA 0.199 4.539 4.340 -0.000 0.000 0.262 349 R C -0.015 176.292 176.300 0.011 0.000 0.943 349 R CA 0.214 56.302 56.100 -0.019 0.000 1.081 349 R CB 0.021 30.257 30.300 -0.106 0.000 1.166 349 R HN 0.503 nan 8.270 nan 0.000 0.534 350 K N 2.066 122.509 120.400 0.072 0.000 3.451 350 K HA -0.239 4.081 4.320 -0.000 0.000 0.273 350 K C -1.088 175.581 176.600 0.114 0.000 0.944 350 K CA 0.811 57.165 56.287 0.112 0.000 0.734 350 K CB -0.640 31.902 32.500 0.069 0.000 1.437 350 K HN 0.450 nan 8.250 nan 0.000 0.454 351 R N 0.065 120.633 120.500 0.113 0.000 2.710 351 R HA 0.593 4.933 4.340 -0.000 0.000 0.270 351 R C -0.902 175.471 176.300 0.122 0.000 1.021 351 R CA -1.166 55.016 56.100 0.138 0.000 0.889 351 R CB 1.104 31.456 30.300 0.087 0.000 1.243 351 R HN 0.076 nan 8.270 nan 0.000 0.464 352 I N 1.237 121.876 120.570 0.115 0.000 2.406 352 I HA 0.452 4.622 4.170 -0.000 0.000 0.290 352 I C 0.123 176.117 176.117 -0.204 0.000 0.999 352 I CA -0.917 60.261 61.300 -0.202 0.000 1.124 352 I CB 2.218 40.033 38.000 -0.307 0.000 1.289 352 I HN 0.870 nan 8.210 nan 0.000 0.441 353 G N 5.314 113.759 108.800 -0.592 0.000 2.389 353 G HA2 0.726 4.685 3.960 -0.000 0.000 0.328 353 G HA3 0.726 4.685 3.960 -0.000 0.000 0.328 353 G C -1.301 173.029 174.900 -0.950 0.000 1.133 353 G CA -0.231 44.259 45.100 -1.016 0.000 0.891 353 G HN 0.338 nan 8.290 nan 0.000 0.485 354 F N 0.379 120.004 119.950 -0.541 0.000 2.556 354 F HA 0.731 5.258 4.527 -0.000 0.000 0.314 354 F C 0.405 176.065 175.800 -0.233 0.000 1.106 354 F CA -0.616 57.186 58.000 -0.330 0.000 0.911 354 F CB 2.668 41.507 39.000 -0.269 0.000 1.190 354 F HN 0.718 nan 8.300 nan 0.000 0.448 355 A N 1.502 124.380 122.820 0.096 0.000 2.556 355 A HA 0.788 5.108 4.320 -0.000 0.000 0.294 355 A C -1.396 176.421 177.584 0.390 0.000 1.091 355 A CA -0.865 51.272 52.037 0.168 0.000 0.704 355 A CB 1.230 20.197 19.000 -0.055 0.000 1.300 355 A HN 0.460 nan 8.150 nan 0.000 0.406 356 V N 1.744 121.858 119.914 0.333 0.000 2.529 356 V HA 0.238 4.358 4.120 -0.000 0.000 0.292 356 V C 1.185 177.372 176.094 0.155 0.000 1.028 356 V CA 0.404 62.807 62.300 0.172 0.000 1.074 356 V CB 1.091 32.952 31.823 0.063 0.000 0.958 356 V HN 0.927 nan 8.190 nan 0.000 0.481 357 S N 4.290 120.008 115.700 0.030 0.000 2.549 357 S HA 0.348 4.818 4.470 -0.000 0.000 0.279 357 S C 1.256 175.948 174.600 0.154 0.000 1.321 357 S CA -0.128 58.136 58.200 0.108 0.000 1.054 357 S CB 1.222 64.451 63.200 0.047 0.000 0.899 357 S HN 0.996 nan 8.310 nan 0.000 0.497 358 A N 3.198 126.072 122.820 0.090 0.000 2.209 358 A HA 0.040 4.360 4.320 -0.000 0.000 0.212 358 A C 1.709 179.317 177.584 0.039 0.000 1.158 358 A CA 0.912 52.981 52.037 0.054 0.000 0.742 358 A CB -1.071 17.918 19.000 -0.019 0.000 0.790 358 A HN 1.252 nan 8.150 nan 0.000 0.472 359 c N -0.822 117.804 118.600 0.044 0.000 2.994 359 c HA 0.381 4.951 4.570 -0.000 0.000 0.284 359 c C 0.759 174.858 174.090 0.015 0.000 1.404 359 c CA -0.406 55.925 56.329 0.004 0.000 1.775 359 c CB -1.918 40.582 42.510 -0.016 0.000 2.458 359 c HN 0.652 nan 8.230 nan 0.000 0.593 360 H N 0.447 119.491 119.070 -0.042 0.000 2.690 360 H HA 0.507 5.063 4.556 -0.000 0.000 0.365 360 H C -0.753 174.561 175.328 -0.023 0.000 1.142 360 H CA -0.041 55.965 56.048 -0.071 0.000 1.417 360 H CB 0.908 30.580 29.762 -0.150 0.000 1.446 360 H HN 0.166 nan 8.280 nan 0.000 0.599 361 V N 5.748 125.604 119.914 -0.096 0.000 2.530 361 V HA 0.192 4.312 4.120 -0.000 0.000 0.282 361 V C 0.607 176.550 176.094 -0.253 0.000 1.048 361 V CA 0.023 62.177 62.300 -0.244 0.000 0.997 361 V CB 0.372 32.078 31.823 -0.196 0.000 0.987 361 V HN 1.045 nan 8.190 nan 0.000 0.477 362 H N 2.479 121.318 119.070 -0.385 0.000 2.950 362 H HA 0.636 5.192 4.556 -0.000 0.000 0.272 362 H C -1.577 173.557 175.328 -0.323 0.000 1.495 362 H CA -0.885 54.960 56.048 -0.339 0.000 1.183 362 H CB 1.742 31.341 29.762 -0.271 0.000 1.867 362 H HN 0.626 nan 8.280 nan 0.000 0.597 363 D N -1.199 119.126 120.400 -0.125 0.000 2.654 363 D HA 0.116 4.756 4.640 -0.000 0.000 0.255 363 D C 0.814 177.102 176.300 -0.020 0.000 1.101 363 D CA -0.805 53.105 54.000 -0.151 0.000 1.116 363 D CB 1.292 42.045 40.800 -0.079 0.000 1.348 363 D HN 0.700 nan 8.370 nan 0.000 0.609 364 E N -1.264 118.787 120.200 -0.248 0.000 2.338 364 E HA -0.079 4.271 4.350 -0.000 0.000 0.197 364 E C 0.687 177.057 176.600 -0.383 0.000 1.007 364 E CA 0.751 56.929 56.400 -0.371 0.000 0.849 364 E CB -0.116 29.207 29.700 -0.629 0.000 0.774 364 E HN 0.523 nan 8.360 nan 0.000 0.506 365 F N -0.187 119.797 119.950 0.057 0.000 2.582 365 F HA 0.290 4.816 4.527 -0.000 0.000 0.290 365 F C 1.067 176.893 175.800 0.043 0.000 1.115 365 F CA -0.014 58.014 58.000 0.048 0.000 1.445 365 F CB 0.523 39.554 39.000 0.051 0.000 1.126 365 F HN -0.298 nan 8.300 nan 0.000 0.574 366 R N -0.283 120.342 120.500 0.209 0.000 2.725 366 R HA 0.528 4.868 4.340 -0.000 0.000 0.277 366 R C -0.819 175.525 176.300 0.073 0.000 0.987 366 R CA -0.561 55.618 56.100 0.132 0.000 0.901 366 R CB 2.215 32.601 30.300 0.144 0.000 1.207 366 R HN -0.014 nan 8.270 nan 0.000 0.463 367 T N -1.791 112.783 114.554 0.033 0.000 2.896 367 T HA 0.702 5.052 4.350 -0.000 0.000 0.297 367 T C -0.021 174.705 174.700 0.042 0.000 1.108 367 T CA -0.844 61.281 62.100 0.042 0.000 1.004 367 T CB 1.878 70.682 68.868 -0.108 0.000 1.159 367 T HN 0.650 nan 8.240 nan 0.000 0.499 368 A N 1.092 123.876 122.820 -0.061 0.000 2.409 368 A HA 0.755 5.075 4.320 -0.000 0.000 0.246 368 A C 0.584 178.089 177.584 -0.133 0.000 1.099 368 A CA -0.044 51.840 52.037 -0.255 0.000 0.789 368 A CB -0.612 17.921 19.000 -0.779 0.000 1.053 368 A HN 1.911 nan 8.150 nan 0.000 0.503 369 A N -0.632 122.218 122.820 0.051 0.000 2.606 369 A HA 0.644 4.964 4.320 -0.000 0.000 0.293 369 A C -1.335 176.358 177.584 0.182 0.000 1.082 369 A CA -0.383 51.710 52.037 0.094 0.000 0.685 369 A CB 1.393 20.418 19.000 0.042 0.000 1.284 369 A HN 1.436 nan 8.150 nan 0.000 0.408 370 V N 1.590 121.574 119.914 0.117 0.000 2.447 370 V HA 0.522 4.642 4.120 -0.000 0.000 0.292 370 V C -0.657 175.385 176.094 -0.087 0.000 1.021 370 V CA -0.275 62.044 62.300 0.032 0.000 0.850 370 V CB 1.255 33.157 31.823 0.131 0.000 1.005 370 V HN 0.938 nan 8.190 nan 0.000 0.426 371 E N 2.504 122.565 120.200 -0.232 0.000 2.317 371 E HA 0.850 5.200 4.350 -0.000 0.000 0.270 371 E C -0.091 176.102 176.600 -0.678 0.000 0.885 371 E CA -0.719 55.488 56.400 -0.321 0.000 0.760 371 E CB 2.958 32.614 29.700 -0.073 0.000 1.227 371 E HN 0.848 nan 8.360 nan 0.000 0.434 372 G N 1.619 109.844 108.800 -0.959 0.000 2.559 372 G HA2 0.543 4.503 3.960 -0.000 0.000 0.291 372 G HA3 0.543 4.503 3.960 -0.000 0.000 0.291 372 G C -2.950 171.593 174.900 -0.595 0.000 1.424 372 G CA -0.803 43.516 45.100 -1.303 0.000 0.786 372 G HN 0.368 nan 8.290 nan 0.000 0.485 373 P HA 0.787 nan 4.420 nan 0.000 0.287 373 P C -1.638 175.271 177.300 -0.652 0.000 1.292 373 P CA -0.679 62.193 63.100 -0.380 0.000 0.879 373 P CB 1.826 33.598 31.700 0.120 0.000 1.214 374 F N -1.274 118.709 119.950 0.054 0.000 2.556 374 F HA 0.279 4.805 4.527 -0.000 0.000 0.314 374 F C 0.122 175.963 175.800 0.068 0.000 1.106 374 F CA -1.146 56.895 58.000 0.069 0.000 0.911 374 F CB 2.057 41.126 39.000 0.115 0.000 1.190 374 F HN -0.112 nan 8.300 nan 0.000 0.448 375 V N 2.735 122.774 119.914 0.209 0.000 2.387 375 V HA 0.276 4.396 4.120 -0.000 0.000 0.260 375 V C -0.240 175.922 176.094 0.113 0.000 1.054 375 V CA 0.051 62.431 62.300 0.134 0.000 0.967 375 V CB 0.262 32.140 31.823 0.092 0.000 1.036 375 V HN 0.817 nan 8.190 nan 0.000 0.481 376 T N 6.651 121.266 114.554 0.102 0.000 2.824 376 T HA 0.691 5.041 4.350 -0.000 0.000 0.282 376 T C -0.326 174.403 174.700 0.048 0.000 0.993 376 T CA -0.519 61.614 62.100 0.056 0.000 0.967 376 T CB 1.574 70.472 68.868 0.051 0.000 0.960 376 T HN 0.282 nan 8.240 nan 0.000 0.441 377 L N 1.505 122.744 121.223 0.027 0.000 2.332 377 L HA 0.509 4.849 4.340 -0.000 0.000 0.269 377 L C 0.224 177.106 176.870 0.020 0.000 1.016 377 L CA -1.062 53.793 54.840 0.025 0.000 0.809 377 L CB 0.574 42.644 42.059 0.018 0.000 1.280 377 L HN 0.579 nan 8.230 nan 0.000 0.447 378 D N 0.451 120.864 120.400 0.021 0.000 2.782 378 D HA -0.234 4.406 4.640 -0.000 0.000 0.231 378 D C 1.248 177.561 176.300 0.023 0.000 1.163 378 D CA 0.931 54.942 54.000 0.018 0.000 0.680 378 D CB -0.510 40.295 40.800 0.008 0.000 1.062 378 D HN 0.555 nan 8.370 nan 0.000 0.425 379 M N -0.583 119.037 119.600 0.033 0.000 2.149 379 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 379 M C 2.141 178.469 176.300 0.047 0.000 1.064 379 M CA 1.696 57.021 55.300 0.041 0.000 1.102 379 M CB -0.235 32.396 32.600 0.052 0.000 1.369 379 M HN 0.096 nan 8.290 nan 0.000 0.408 380 E N 0.672 120.899 120.200 0.045 0.000 2.273 380 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 380 E C 1.123 177.747 176.600 0.040 0.000 1.002 380 E CA 1.057 57.484 56.400 0.045 0.000 0.828 380 E CB 0.016 29.738 29.700 0.035 0.000 0.747 380 E HN 0.411 nan 8.360 nan 0.000 0.491 381 D N -0.507 119.912 120.400 0.031 0.000 2.348 381 D HA -0.085 4.555 4.640 -0.000 0.000 0.216 381 D C 1.395 177.717 176.300 0.037 0.000 0.970 381 D CA 0.454 54.468 54.000 0.023 0.000 0.889 381 D CB -0.050 40.756 40.800 0.010 0.000 0.912 381 D HN 0.324 nan 8.370 nan 0.000 0.524 382 c N 0.559 119.190 118.600 0.051 0.000 2.481 382 c HA 0.167 4.737 4.570 -0.000 0.000 0.275 382 c C 1.642 175.799 174.090 0.112 0.000 1.419 382 c CA -0.314 56.057 56.329 0.070 0.000 1.773 382 c CB -0.957 41.602 42.510 0.081 0.000 1.862 382 c HN 0.197 nan 8.230 nan 0.000 0.530 383 G N -0.903 107.962 108.800 0.109 0.000 2.442 383 G HA2 0.362 4.322 3.960 -0.000 0.000 0.249 383 G HA3 0.362 4.322 3.960 -0.000 0.000 0.249 383 G C -0.950 174.057 174.900 0.178 0.000 1.263 383 G CA 0.065 45.252 45.100 0.145 0.000 0.846 383 G HN 0.422 nan 8.290 nan 0.000 0.555 384 Y N 2.314 122.674 120.300 0.101 0.000 2.334 384 Y HA 0.414 4.964 4.550 -0.000 0.000 0.328 384 Y C 0.368 176.321 175.900 0.089 0.000 1.130 384 Y CA -0.760 57.408 58.100 0.113 0.000 1.163 384 Y CB 1.066 39.632 38.460 0.177 0.000 1.207 384 Y HN 0.520 nan 8.280 nan 0.000 0.471 385 N N 0.000 118.378 118.700 -0.536 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.842 53.050 -0.346 0.000 0.885 385 N CB 0.000 38.354 38.487 -0.221 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667