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 1w75_1_B DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.651 174.600 0.086 0.000 1.055 4 S CA 0.000 58.233 58.200 0.054 0.000 1.107 4 S CB 0.000 63.228 63.200 0.047 0.000 0.593 5 E N 2.738 122.998 120.200 0.101 0.000 2.187 5 E HA -0.171 4.179 4.350 -0.000 0.000 0.199 5 E C 1.240 177.994 176.600 0.255 0.000 1.004 5 E CA 1.606 58.104 56.400 0.163 0.000 0.813 5 E CB -0.127 29.661 29.700 0.147 0.000 0.736 5 E HN 0.657 nan 8.360 nan 0.000 0.468 6 L N 0.194 121.519 121.223 0.170 0.000 2.446 6 L HA 0.105 4.445 4.340 -0.000 0.000 0.219 6 L C 0.819 177.861 176.870 0.287 0.000 1.116 6 L CA -0.184 54.742 54.840 0.145 0.000 0.844 6 L CB 0.192 42.236 42.059 -0.026 0.000 0.970 6 L HN 0.060 nan 8.230 nan 0.000 0.457 7 L N 1.015 122.375 121.223 0.227 0.000 2.280 7 L HA 0.527 4.867 4.340 -0.000 0.000 0.287 7 L C -0.752 176.213 176.870 0.159 0.000 1.023 7 L CA -0.173 54.793 54.840 0.211 0.000 0.819 7 L CB 1.485 43.619 42.059 0.125 0.000 1.212 7 L HN -0.313 nan 8.230 nan 0.000 0.420 8 V N 4.579 124.589 119.914 0.159 0.000 2.604 8 V HA 0.472 4.592 4.120 -0.000 0.000 0.305 8 V C -0.369 175.665 176.094 -0.100 0.000 1.043 8 V CA -0.833 61.413 62.300 -0.090 0.000 0.888 8 V CB 1.928 33.469 31.823 -0.470 0.000 0.995 8 V HN 0.702 nan 8.190 nan 0.000 0.429 9 N N 2.844 121.397 118.700 -0.246 0.000 2.439 9 N HA 0.357 5.097 4.740 -0.000 0.000 0.249 9 N C -0.036 175.141 175.510 -0.555 0.000 1.003 9 N CA -0.011 52.854 53.050 -0.307 0.000 0.942 9 N CB 1.712 40.002 38.487 -0.329 0.000 1.115 9 N HN 0.942 nan 8.380 nan 0.000 0.505 10 T N -0.258 114.091 114.554 -0.341 0.000 2.923 10 T HA 0.340 4.690 4.350 -0.000 0.000 0.281 10 T C 1.196 175.664 174.700 -0.387 0.000 0.995 10 T CA -0.488 61.395 62.100 -0.362 0.000 0.985 10 T CB 1.318 70.204 68.868 0.030 0.000 1.114 10 T HN 0.320 nan 8.240 nan 0.000 0.548 11 K N 0.240 120.453 120.400 -0.312 0.000 2.442 11 K HA 0.031 4.351 4.320 -0.000 0.000 0.198 11 K C 1.742 178.199 176.600 -0.238 0.000 1.042 11 K CA 0.780 56.925 56.287 -0.237 0.000 0.958 11 K CB -0.026 32.388 32.500 -0.144 0.000 0.766 11 K HN 0.434 nan 8.250 nan 0.000 0.474 12 S N -0.309 115.224 115.700 -0.279 0.000 2.539 12 S HA 0.219 4.689 4.470 -0.000 0.000 0.221 12 S C 0.331 174.249 174.600 -1.137 0.000 0.987 12 S CA 0.148 58.090 58.200 -0.430 0.000 0.929 12 S CB 1.184 64.337 63.200 -0.078 0.000 0.832 12 S HN 0.532 nan 8.310 nan 0.000 0.492 13 G N 1.390 109.633 108.800 -0.927 0.000 2.351 13 G HA2 0.079 4.039 3.960 -0.000 0.000 0.353 13 G HA3 0.079 4.039 3.960 -0.000 0.000 0.353 13 G C -1.636 173.061 174.900 -0.338 0.000 1.358 13 G CA -1.128 43.316 45.100 -1.093 0.000 0.995 13 G HN 0.042 nan 8.290 nan 0.000 0.611 14 K N -0.923 119.507 120.400 0.050 0.000 2.107 14 K HA 0.722 5.042 4.320 -0.000 0.000 0.251 14 K C -0.570 176.409 176.600 0.632 0.000 1.012 14 K CA -0.587 55.865 56.287 0.276 0.000 0.920 14 K CB 2.067 34.687 32.500 0.200 0.000 1.033 14 K HN 0.513 nan 8.250 nan 0.000 0.478 15 V N 1.898 122.108 119.914 0.493 0.000 2.932 15 V HA 0.298 4.418 4.120 -0.000 0.000 0.307 15 V C -1.581 174.796 176.094 0.471 0.000 1.147 15 V CA -0.847 61.802 62.300 0.581 0.000 0.951 15 V CB 2.165 34.386 31.823 0.664 0.000 1.031 15 V HN 0.740 nan 8.190 nan 0.000 0.426 16 M N 4.303 124.149 119.600 0.409 0.000 2.093 16 M HA 0.759 5.239 4.480 -0.000 0.000 0.297 16 M C 0.056 176.426 176.300 0.116 0.000 0.938 16 M CA 0.004 55.456 55.300 0.253 0.000 0.920 16 M CB 1.195 33.886 32.600 0.152 0.000 1.517 16 M HN 0.724 nan 8.290 nan 0.000 0.427 17 G N 1.451 110.179 108.800 -0.119 0.000 2.509 17 G HA2 0.633 4.593 3.960 -0.000 0.000 0.269 17 G HA3 0.633 4.593 3.960 -0.000 0.000 0.269 17 G C -0.942 173.732 174.900 -0.376 0.000 1.416 17 G CA -0.147 44.583 45.100 -0.617 0.000 1.052 17 G HN 0.705 nan 8.290 nan 0.000 0.542 18 T N -1.888 112.411 114.554 -0.425 0.000 2.932 18 T HA 0.480 4.830 4.350 -0.000 0.000 0.318 18 T C -0.859 173.721 174.700 -0.200 0.000 1.265 18 T CA -0.714 61.244 62.100 -0.236 0.000 1.036 18 T CB 1.505 70.261 68.868 -0.187 0.000 1.209 18 T HN 0.675 nan 8.240 nan 0.000 0.484 19 R N 3.175 123.608 120.500 -0.111 0.000 2.234 19 R HA 0.631 4.971 4.340 -0.000 0.000 0.324 19 R C -0.320 175.982 176.300 0.003 0.000 1.054 19 R CA -0.518 55.556 56.100 -0.044 0.000 0.912 19 R CB 0.332 30.605 30.300 -0.045 0.000 1.030 19 R HN 0.542 nan 8.270 nan 0.000 0.455 20 V N 2.661 122.598 119.914 0.039 0.000 2.513 20 V HA 0.664 4.784 4.120 -0.000 0.000 0.299 20 V C -2.450 173.676 176.094 0.054 0.000 1.035 20 V CA -2.825 59.499 62.300 0.040 0.000 0.889 20 V CB 1.420 33.257 31.823 0.024 0.000 0.988 20 V HN 0.761 nan 8.190 nan 0.000 0.440 21 P HA 0.330 nan 4.420 nan 0.000 0.271 21 P C -0.792 176.363 177.300 -0.243 0.000 1.216 21 P CA -0.003 62.975 63.100 -0.204 0.000 0.771 21 P CB 1.308 32.907 31.700 -0.168 0.000 0.864 22 V N 4.038 123.727 119.914 -0.374 0.000 2.623 22 V HA 0.212 4.332 4.120 -0.000 0.000 0.304 22 V C 0.718 176.554 176.094 -0.430 0.000 1.054 22 V CA -1.037 61.024 62.300 -0.400 0.000 0.882 22 V CB 1.331 32.801 31.823 -0.587 0.000 1.002 22 V HN 0.462 nan 8.190 nan 0.000 0.424 23 L N 4.090 125.198 121.223 -0.191 0.000 3.879 23 L HA -0.271 4.069 4.340 -0.000 0.000 0.481 23 L C 1.152 177.912 176.870 -0.184 0.000 1.232 23 L CA 0.647 55.406 54.840 -0.135 0.000 0.736 23 L CB -1.533 40.484 42.059 -0.070 0.000 1.511 23 L HN 1.312 nan 8.230 nan 0.000 0.830 24 S N -2.836 112.751 115.700 -0.189 0.000 3.521 24 S HA -0.235 4.234 4.470 -0.000 0.000 0.362 24 S C 0.268 174.744 174.600 -0.208 0.000 1.044 24 S CA 1.216 59.310 58.200 -0.176 0.000 1.091 24 S CB -1.179 61.975 63.200 -0.076 0.000 0.908 24 S HN 0.870 nan 8.310 nan 0.000 0.473 25 S N -0.398 115.076 115.700 -0.377 0.000 3.144 25 S HA 0.849 5.319 4.470 -0.000 0.000 0.325 25 S C -1.314 172.938 174.600 -0.580 0.000 1.161 25 S CA -0.623 57.389 58.200 -0.314 0.000 0.920 25 S CB 1.127 64.223 63.200 -0.172 0.000 1.340 25 S HN 0.710 nan 8.310 nan 0.000 0.681 26 H N -0.337 118.677 119.070 -0.094 0.000 3.012 26 H HA 0.739 5.295 4.556 -0.000 0.000 0.367 26 H C -0.642 174.701 175.328 0.025 0.000 1.211 26 H CA -0.314 55.704 56.048 -0.051 0.000 1.139 26 H CB 1.534 31.290 29.762 -0.011 0.000 1.838 26 H HN 0.738 nan 8.280 nan 0.000 0.550 27 I N -2.184 118.486 120.570 0.167 0.000 3.279 27 I HA 0.675 4.845 4.170 -0.000 0.000 0.315 27 I C -1.073 175.142 176.117 0.163 0.000 1.225 27 I CA -1.010 60.411 61.300 0.201 0.000 0.947 27 I CB 2.527 40.684 38.000 0.262 0.000 1.293 27 I HN 0.420 nan 8.210 nan 0.000 0.468 28 S N 1.845 117.657 115.700 0.187 0.000 2.545 28 S HA 0.770 5.240 4.470 -0.000 0.000 0.275 28 S C -0.172 174.470 174.600 0.070 0.000 1.299 28 S CA -0.423 57.833 58.200 0.093 0.000 1.048 28 S CB 1.214 64.562 63.200 0.246 0.000 0.938 28 S HN 0.865 nan 8.310 nan 0.000 0.496 29 A N 2.530 125.207 122.820 -0.239 0.000 2.374 29 A HA 0.762 5.082 4.320 -0.000 0.000 0.305 29 A C -1.301 175.959 177.584 -0.540 0.000 1.053 29 A CA -0.672 51.141 52.037 -0.373 0.000 0.726 29 A CB 0.554 19.290 19.000 -0.439 0.000 1.229 29 A HN 0.636 nan 8.150 nan 0.000 0.431 30 F N 2.742 122.521 119.950 -0.284 0.000 2.366 30 F HA 0.488 5.015 4.527 -0.000 0.000 0.366 30 F C -0.172 175.483 175.800 -0.242 0.000 1.096 30 F CA -0.462 57.454 58.000 -0.139 0.000 1.060 30 F CB 1.295 40.288 39.000 -0.012 0.000 1.282 30 F HN 0.359 nan 8.300 nan 0.000 0.450 31 L N 2.355 123.518 121.223 -0.099 0.000 2.309 31 L HA 0.697 5.037 4.340 -0.000 0.000 0.282 31 L C 0.956 177.851 176.870 0.042 0.000 1.036 31 L CA -0.925 53.855 54.840 -0.100 0.000 0.806 31 L CB 1.485 43.405 42.059 -0.231 0.000 1.220 31 L HN 0.840 nan 8.230 nan 0.000 0.429 32 G N 3.205 112.056 108.800 0.085 0.000 2.225 32 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.264 32 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.264 32 G C -0.112 174.866 174.900 0.130 0.000 1.060 32 G CA -0.376 44.780 45.100 0.093 0.000 0.833 32 G HN 0.494 nan 8.290 nan 0.000 0.498 33 I N 2.245 122.819 120.570 0.006 0.000 2.471 33 I HA 0.212 4.382 4.170 -0.000 0.000 0.286 33 I C -1.343 174.578 176.117 -0.327 0.000 1.079 33 I CA -2.025 59.115 61.300 -0.267 0.000 1.398 33 I CB 1.036 38.881 38.000 -0.258 0.000 1.403 33 I HN -0.002 nan 8.210 nan 0.000 0.530 34 P HA 0.040 nan 4.420 nan 0.000 0.276 34 P C -0.267 176.686 177.300 -0.578 0.000 1.235 34 P CA 0.030 62.632 63.100 -0.829 0.000 0.772 34 P CB 0.527 31.625 31.700 -1.003 0.000 0.871 35 F N 0.894 120.511 119.950 -0.554 0.000 2.706 35 F HA 0.721 5.248 4.527 -0.000 0.000 0.313 35 F C 0.103 175.816 175.800 -0.145 0.000 1.096 35 F CA -0.776 56.982 58.000 -0.404 0.000 1.219 35 F CB 0.135 38.830 39.000 -0.509 0.000 1.051 35 F HN 0.330 nan 8.300 nan 0.000 0.568 36 A N 0.099 122.580 122.820 -0.566 0.000 2.594 36 A HA 0.573 4.893 4.320 -0.000 0.000 0.291 36 A C -0.847 176.550 177.584 -0.311 0.000 1.105 36 A CA -0.792 51.053 52.037 -0.320 0.000 0.694 36 A CB 1.014 19.795 19.000 -0.365 0.000 1.291 36 A HN 0.072 nan 8.150 nan 0.000 0.410 37 E N 1.157 121.268 120.200 -0.148 0.000 2.384 37 E HA 0.221 4.570 4.350 -0.000 0.000 0.266 37 E C -2.295 174.212 176.600 -0.155 0.000 1.012 37 E CA -1.262 55.072 56.400 -0.110 0.000 0.901 37 E CB 0.110 29.790 29.700 -0.034 0.000 0.967 37 E HN 0.215 nan 8.360 nan 0.000 0.435 38 P HA -0.013 nan 4.420 nan 0.000 0.257 38 P C -2.181 175.064 177.300 -0.090 0.000 1.189 38 P CA -0.632 62.395 63.100 -0.121 0.000 0.780 38 P CB -0.105 31.565 31.700 -0.051 0.000 0.772 39 P HA -0.014 nan 4.420 nan 0.000 0.232 39 P C -0.061 177.191 177.300 -0.081 0.000 1.738 39 P CA 0.158 63.211 63.100 -0.078 0.000 0.948 39 P CB -0.171 31.483 31.700 -0.076 0.000 1.943 40 V N -2.439 117.435 119.914 -0.066 0.000 3.211 40 V HA 0.875 4.995 4.120 -0.000 0.000 0.319 40 V C 1.023 177.085 176.094 -0.053 0.000 1.096 40 V CA 0.217 62.478 62.300 -0.064 0.000 1.029 40 V CB 0.587 32.381 31.823 -0.048 0.000 1.137 40 V HN 0.550 nan 8.190 nan 0.000 0.453 41 G N 1.093 109.862 108.800 -0.052 0.000 2.591 41 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.298 41 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.298 41 G C 0.863 175.743 174.900 -0.035 0.000 1.195 41 G CA 1.400 46.480 45.100 -0.034 0.000 0.989 41 G HN 2.134 nan 8.290 nan 0.000 0.551 42 N N -0.093 118.604 118.700 -0.005 0.000 2.571 42 N HA 0.380 5.120 4.740 -0.000 0.000 0.189 42 N C 1.965 177.481 175.510 0.011 0.000 1.154 42 N CA 1.788 54.848 53.050 0.018 0.000 0.907 42 N CB -0.272 38.239 38.487 0.041 0.000 0.977 42 N HN 0.638 nan 8.380 nan 0.000 0.449 43 M N -0.107 119.482 119.600 -0.018 0.000 2.404 43 M HA 0.150 4.630 4.480 -0.000 0.000 0.271 43 M C 0.776 177.035 176.300 -0.067 0.000 1.128 43 M CA -0.311 54.976 55.300 -0.021 0.000 0.982 43 M CB 0.424 33.014 32.600 -0.017 0.000 1.445 43 M HN 0.278 nan 8.290 nan 0.000 0.495 44 R N 0.566 120.976 120.500 -0.150 0.000 2.442 44 R HA 0.094 4.434 4.340 -0.000 0.000 0.291 44 R C -0.416 175.679 176.300 -0.341 0.000 1.069 44 R CA 0.563 56.443 56.100 -0.367 0.000 1.022 44 R CB 0.296 30.245 30.300 -0.584 0.000 0.976 44 R HN 0.253 nan 8.270 nan 0.000 0.443 45 F N -0.525 119.427 119.950 0.003 0.000 2.427 45 F HA -0.259 4.268 4.527 -0.000 0.000 0.567 45 F C 0.535 176.320 175.800 -0.025 0.000 0.511 45 F CA 0.741 58.720 58.000 -0.036 0.000 1.311 45 F CB -1.353 37.613 39.000 -0.056 0.000 2.049 45 F HN 0.621 nan 8.300 nan 0.000 0.259 46 R N 1.989 122.567 120.500 0.130 0.000 2.641 46 R HA 0.374 4.714 4.340 -0.000 0.000 0.269 46 R C 0.573 176.905 176.300 0.053 0.000 1.074 46 R CA -0.622 55.527 56.100 0.082 0.000 1.133 46 R CB 0.405 30.738 30.300 0.055 0.000 1.029 46 R HN 0.154 nan 8.270 nan 0.000 0.488 47 R N 2.600 123.130 120.500 0.050 0.000 2.619 47 R HA -0.044 4.296 4.340 -0.000 0.000 0.268 47 R C -1.765 174.560 176.300 0.041 0.000 0.990 47 R CA -0.372 55.755 56.100 0.046 0.000 1.092 47 R CB -0.240 30.092 30.300 0.054 0.000 0.935 47 R HN 0.422 nan 8.270 nan 0.000 0.415 48 P HA 0.079 nan 4.420 nan 0.000 0.274 48 P C -0.920 176.407 177.300 0.045 0.000 1.246 48 P CA -0.162 62.960 63.100 0.037 0.000 0.795 48 P CB 0.808 32.545 31.700 0.063 0.000 1.006 49 E N 0.651 120.868 120.200 0.029 0.000 2.266 49 E HA 0.434 4.784 4.350 -0.000 0.000 0.268 49 E C -2.462 174.168 176.600 0.050 0.000 0.879 49 E CA -2.674 53.751 56.400 0.041 0.000 0.762 49 E CB 1.028 30.745 29.700 0.030 0.000 1.199 49 E HN 0.255 nan 8.360 nan 0.000 0.422 50 P HA -0.092 nan 4.420 nan 0.000 0.263 50 P C -1.002 176.355 177.300 0.097 0.000 1.175 50 P CA -0.002 63.170 63.100 0.120 0.000 0.761 50 P CB 0.328 32.101 31.700 0.121 0.000 0.794 51 K N 4.713 125.178 120.400 0.109 0.000 2.430 51 K HA -0.055 4.265 4.320 -0.000 0.000 0.280 51 K C 0.296 176.995 176.600 0.166 0.000 1.063 51 K CA 0.321 56.667 56.287 0.099 0.000 1.071 51 K CB -0.251 32.315 32.500 0.110 0.000 0.899 51 K HN 0.371 nan 8.250 nan 0.000 0.473 52 K N 4.975 125.460 120.400 0.141 0.000 2.326 52 K HA 0.268 4.588 4.320 -0.000 0.000 0.275 52 K C -2.217 174.501 176.600 0.197 0.000 1.018 52 K CA -1.656 54.713 56.287 0.137 0.000 0.962 52 K CB 0.213 32.773 32.500 0.100 0.000 0.953 52 K HN 0.296 nan 8.250 nan 0.000 0.475 53 P HA -0.014 nan 4.420 nan 0.000 0.267 53 P C -1.246 176.137 177.300 0.138 0.000 1.200 53 P CA -0.068 63.026 63.100 -0.009 0.000 0.772 53 P CB 0.140 31.765 31.700 -0.126 0.000 0.855 54 W N 1.171 122.549 121.300 0.130 0.000 2.719 54 W HA 0.711 5.371 4.660 -0.000 0.000 0.352 54 W C -0.725 175.874 176.519 0.133 0.000 1.085 54 W CA -0.863 56.578 57.345 0.159 0.000 1.187 54 W CB 0.263 29.889 29.460 0.277 0.000 1.417 54 W HN 0.400 nan 8.180 nan 0.000 0.557 55 S N 1.271 117.164 115.700 0.322 0.000 2.718 55 S HA 0.893 5.363 4.470 -0.000 0.000 0.300 55 S C 0.446 175.236 174.600 0.317 0.000 1.117 55 S CA -0.135 58.179 58.200 0.190 0.000 1.002 55 S CB 0.955 64.219 63.200 0.107 0.000 1.092 55 S HN 2.177 nan 8.310 nan 0.000 0.542 56 G N -0.410 108.515 108.800 0.209 0.000 2.598 56 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.244 56 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.244 56 G C -0.814 174.279 174.900 0.321 0.000 1.302 56 G CA -0.292 44.935 45.100 0.211 0.000 0.903 56 G HN 1.662 nan 8.290 nan 0.000 0.575 57 V N 0.395 120.467 119.914 0.264 0.000 2.409 57 V HA 0.467 4.587 4.120 -0.000 0.000 0.291 57 V C 0.217 176.476 176.094 0.275 0.000 1.020 57 V CA -0.549 61.935 62.300 0.308 0.000 0.848 57 V CB 1.764 33.698 31.823 0.185 0.000 0.990 57 V HN 0.697 nan 8.190 nan 0.000 0.430 58 W N 5.119 126.551 121.300 0.220 0.000 2.368 58 W HA 0.167 4.827 4.660 -0.000 0.000 0.316 58 W C 0.437 176.969 176.519 0.021 0.000 1.375 58 W CA -0.277 57.042 57.345 -0.044 0.000 1.261 58 W CB 0.651 29.939 29.460 -0.286 0.000 1.298 58 W HN 0.628 nan 8.180 nan 0.000 0.539 59 N N 4.689 123.278 118.700 -0.184 0.000 2.406 59 N HA 0.101 4.841 4.740 -0.000 0.000 0.274 59 N C -0.316 175.274 175.510 0.132 0.000 1.249 59 N CA 0.313 53.327 53.050 -0.061 0.000 0.951 59 N CB 0.650 39.023 38.487 -0.190 0.000 1.241 59 N HN 0.360 nan 8.380 nan 0.000 0.485 60 A N 2.726 125.685 122.820 0.232 0.000 3.290 60 A HA 0.225 4.544 4.320 -0.000 0.000 0.297 60 A C 1.034 178.632 177.584 0.023 0.000 1.285 60 A CA -0.372 51.803 52.037 0.230 0.000 1.060 60 A CB -0.381 18.822 19.000 0.338 0.000 1.114 60 A HN 0.619 nan 8.150 nan 0.000 0.601 61 S N -1.142 114.539 115.700 -0.031 0.000 2.549 61 S HA 0.154 4.624 4.470 -0.000 0.000 0.225 61 S C 0.736 175.252 174.600 -0.141 0.000 1.039 61 S CA 0.670 58.803 58.200 -0.111 0.000 0.942 61 S CB -0.122 63.020 63.200 -0.097 0.000 0.881 61 S HN 0.706 nan 8.310 nan 0.000 0.503 62 T N -0.531 113.960 114.554 -0.105 0.000 2.924 62 T HA 0.646 4.996 4.350 -0.000 0.000 0.291 62 T C -0.881 173.786 174.700 -0.056 0.000 1.045 62 T CA -0.713 61.317 62.100 -0.117 0.000 1.015 62 T CB 0.663 69.485 68.868 -0.076 0.000 1.103 62 T HN 0.066 nan 8.240 nan 0.000 0.496 63 Y N 3.011 123.281 120.300 -0.050 0.000 2.712 63 Y HA 0.266 4.816 4.550 -0.000 0.000 0.333 63 Y C -1.383 174.459 175.900 -0.097 0.000 1.225 63 Y CA -1.604 56.469 58.100 -0.045 0.000 1.499 63 Y CB -0.101 38.353 38.460 -0.010 0.000 1.288 63 Y HN 0.527 nan 8.280 nan 0.000 0.575 64 P HA 0.074 nan 4.420 nan 0.000 0.279 64 P C -0.520 176.704 177.300 -0.127 0.000 1.282 64 P CA -0.512 62.468 63.100 -0.199 0.000 0.788 64 P CB 0.798 32.282 31.700 -0.360 0.000 1.139 65 N N 0.106 118.697 118.700 -0.183 0.000 2.381 65 N HA 0.060 4.800 4.740 -0.000 0.000 0.241 65 N C 0.041 175.515 175.510 -0.060 0.000 1.279 65 N CA 0.339 53.330 53.050 -0.100 0.000 0.896 65 N CB -0.470 37.966 38.487 -0.085 0.000 1.118 65 N HN 0.390 nan 8.380 nan 0.000 0.438 66 N N -0.588 118.067 118.700 -0.074 0.000 2.509 66 N HA 0.268 5.008 4.740 -0.000 0.000 0.287 66 N C -0.337 175.121 175.510 -0.086 0.000 1.121 66 N CA -0.614 52.384 53.050 -0.087 0.000 0.977 66 N CB 0.896 39.309 38.487 -0.123 0.000 1.167 66 N HN 0.397 nan 8.380 nan 0.000 0.476 67 c N 1.295 119.842 118.600 -0.088 0.000 2.727 67 c HA 0.003 4.573 4.570 -0.000 0.000 0.401 67 c C 0.636 174.630 174.090 -0.161 0.000 1.294 67 c CA -0.387 55.872 56.329 -0.117 0.000 2.134 67 c CB -0.147 42.317 42.510 -0.076 0.000 2.724 67 c HN 0.533 nan 8.230 nan 0.000 0.677 68 Q N 2.796 122.428 119.800 -0.281 0.000 2.271 68 Q HA 0.220 4.560 4.340 -0.000 0.000 0.273 68 Q C -0.051 175.886 176.000 -0.104 0.000 1.051 68 Q CA 0.793 56.416 55.803 -0.301 0.000 0.901 68 Q CB 0.569 28.890 28.738 -0.695 0.000 1.174 68 Q HN 0.839 nan 8.270 nan 0.000 0.385 69 Q N 1.735 121.553 119.800 0.030 0.000 2.462 69 Q HA 0.296 4.636 4.340 -0.000 0.000 0.285 69 Q C -1.114 175.043 176.000 0.262 0.000 1.035 69 Q CA -1.056 54.854 55.803 0.178 0.000 0.799 69 Q CB 0.936 29.731 28.738 0.095 0.000 1.452 69 Q HN 0.493 nan 8.270 nan 0.000 0.404 70 Y N 1.261 121.743 120.300 0.303 0.000 2.810 70 Y HA 0.198 4.748 4.550 -0.000 0.000 0.332 70 Y C -1.069 174.996 175.900 0.277 0.000 1.243 70 Y CA 0.545 58.866 58.100 0.368 0.000 1.537 70 Y CB 0.653 39.494 38.460 0.635 0.000 1.265 70 Y HN 0.439 nan 8.280 nan 0.000 0.572 71 V N 7.143 126.816 119.914 -0.401 0.000 2.417 71 V HA 0.130 4.249 4.120 -0.000 0.000 0.291 71 V C -0.532 175.262 176.094 -0.501 0.000 1.024 71 V CA -0.973 61.160 62.300 -0.278 0.000 0.861 71 V CB 1.530 33.268 31.823 -0.143 0.000 0.985 71 V HN 0.806 nan 8.190 nan 0.000 0.436 72 D N 4.126 124.446 120.400 -0.133 0.000 2.348 72 D HA 0.175 4.815 4.640 -0.000 0.000 0.253 72 D C 0.581 176.911 176.300 0.050 0.000 1.161 72 D CA -0.047 53.981 54.000 0.046 0.000 0.876 72 D CB 0.911 41.907 40.800 0.327 0.000 1.160 72 D HN 0.774 nan 8.370 nan 0.000 0.459 73 E N 2.916 123.132 120.200 0.027 0.000 3.105 73 E HA 0.042 4.392 4.350 -0.000 0.000 0.198 73 E C 0.784 177.369 176.600 -0.025 0.000 0.976 73 E CA -0.440 55.977 56.400 0.029 0.000 1.219 73 E CB 0.346 30.038 29.700 -0.013 0.000 1.081 73 E HN 0.385 nan 8.360 nan 0.000 0.464 74 Q N 0.031 119.782 119.800 -0.082 0.000 2.170 74 Q HA -0.024 4.316 4.340 -0.000 0.000 0.203 74 Q C -0.225 175.342 176.000 -0.722 0.000 0.976 74 Q CA 1.118 56.621 55.803 -0.499 0.000 0.858 74 Q CB 0.115 28.311 28.738 -0.903 0.000 0.907 74 Q HN 0.320 nan 8.270 nan 0.000 0.433 75 F N 0.393 120.414 119.950 0.118 0.000 2.686 75 F HA 0.358 4.885 4.527 -0.000 0.000 0.365 75 F C -2.205 173.680 175.800 0.142 0.000 1.196 75 F CA -2.834 55.219 58.000 0.090 0.000 1.198 75 F CB 1.130 40.172 39.000 0.069 0.000 1.454 75 F HN -0.181 nan 8.300 nan 0.000 0.539 76 P HA 0.238 nan 4.420 nan 0.000 0.267 76 P C 0.986 178.376 177.300 0.149 0.000 1.209 76 P CA 0.813 63.998 63.100 0.141 0.000 0.763 76 P CB 0.981 32.726 31.700 0.074 0.000 0.816 77 G N 2.574 111.450 108.800 0.125 0.000 2.225 77 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.254 77 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.254 77 G C -0.011 174.961 174.900 0.120 0.000 0.988 77 G CA -0.431 44.724 45.100 0.092 0.000 0.625 77 G HN 0.523 nan 8.290 nan 0.000 0.527 78 F N 3.225 123.181 119.950 0.009 0.000 2.472 78 F HA 0.512 5.039 4.527 -0.000 0.000 0.364 78 F C 1.687 177.435 175.800 -0.087 0.000 1.090 78 F CA -0.097 57.861 58.000 -0.069 0.000 1.188 78 F CB 1.187 40.142 39.000 -0.076 0.000 1.105 78 F HN 0.223 nan 8.300 nan 0.000 0.536 79 S N 3.121 118.361 115.700 -0.766 0.000 2.423 79 S HA -0.059 4.411 4.470 -0.000 0.000 0.231 79 S C 2.143 176.341 174.600 -0.669 0.000 1.014 79 S CA 0.743 58.591 58.200 -0.586 0.000 0.965 79 S CB -0.973 61.929 63.200 -0.497 0.000 0.785 79 S HN 0.798 nan 8.310 nan 0.000 0.495 80 G N 1.985 109.960 108.800 -1.376 0.000 2.418 80 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 80 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 80 G C 1.748 176.827 174.900 0.299 0.000 1.158 80 G CA 1.225 45.787 45.100 -0.897 0.000 0.771 80 G HN 0.769 nan 8.290 nan 0.000 0.545 81 S N -0.162 115.793 115.700 0.426 0.000 2.456 81 S HA 0.128 4.598 4.470 -0.000 0.000 0.224 81 S C 1.866 176.759 174.600 0.488 0.000 1.035 81 S CA 0.939 59.670 58.200 0.884 0.000 0.940 81 S CB 0.078 63.907 63.200 1.049 0.000 0.799 81 S HN 0.402 nan 8.310 nan 0.000 0.508 82 E N 1.641 121.954 120.200 0.188 0.000 2.347 82 E HA 0.029 4.379 4.350 -0.000 0.000 0.196 82 E C 2.016 178.562 176.600 -0.091 0.000 1.008 82 E CA 0.930 57.370 56.400 0.065 0.000 0.852 82 E CB -0.348 29.363 29.700 0.018 0.000 0.783 82 E HN 0.823 nan 8.360 nan 0.000 0.505 83 M N -1.890 117.553 119.600 -0.261 0.000 2.460 83 M HA -0.054 4.426 4.480 -0.000 0.000 0.263 83 M C 0.894 176.786 176.300 -0.680 0.000 1.071 83 M CA 1.264 56.232 55.300 -0.554 0.000 1.096 83 M CB -0.325 31.814 32.600 -0.767 0.000 1.408 83 M HN 0.045 nan 8.290 nan 0.000 0.463 84 W N 0.983 122.247 121.300 -0.060 0.000 3.114 84 W HA 0.268 4.928 4.660 -0.000 0.000 0.279 84 W C 0.399 176.850 176.519 -0.114 0.000 1.277 84 W CA -0.931 56.351 57.345 -0.105 0.000 1.630 84 W CB -0.149 29.282 29.460 -0.050 0.000 1.087 84 W HN 0.099 nan 8.180 nan 0.000 0.637 85 N N 1.652 120.393 118.700 0.067 0.000 2.467 85 N HA 0.135 4.875 4.740 -0.000 0.000 0.262 85 N C -2.461 173.007 175.510 -0.070 0.000 1.234 85 N CA -1.559 51.498 53.050 0.011 0.000 0.952 85 N CB -0.143 38.356 38.487 0.020 0.000 1.158 85 N HN -0.341 nan 8.380 nan 0.000 0.463 86 P HA 0.043 nan 4.420 nan 0.000 0.264 86 P C 0.222 177.460 177.300 -0.103 0.000 1.193 86 P CA 0.031 63.064 63.100 -0.112 0.000 0.763 86 P CB 0.264 31.906 31.700 -0.096 0.000 0.810 87 N N 2.501 121.127 118.700 -0.123 0.000 2.203 87 N HA 0.049 4.789 4.740 -0.000 0.000 0.207 87 N C 0.132 175.600 175.510 -0.071 0.000 1.130 87 N CA 0.085 53.076 53.050 -0.099 0.000 0.861 87 N CB 0.326 38.745 38.487 -0.114 0.000 1.005 87 N HN 0.179 nan 8.380 nan 0.000 0.507 88 R N 0.330 120.784 120.500 -0.078 0.000 2.867 88 R HA 0.308 4.648 4.340 -0.000 0.000 0.268 88 R C -0.281 175.981 176.300 -0.063 0.000 1.014 88 R CA -0.696 55.369 56.100 -0.058 0.000 0.946 88 R CB 1.098 31.366 30.300 -0.053 0.000 1.208 88 R HN 0.188 nan 8.270 nan 0.000 0.477 89 E N 1.659 121.826 120.200 -0.055 0.000 2.568 89 E HA -0.088 4.262 4.350 -0.000 0.000 0.262 89 E C -0.134 176.426 176.600 -0.067 0.000 0.961 89 E CA 0.709 57.075 56.400 -0.057 0.000 0.945 89 E CB 0.505 30.173 29.700 -0.054 0.000 0.924 89 E HN 0.194 nan 8.360 nan 0.000 0.467 90 M N 1.908 121.467 119.600 -0.068 0.000 2.274 90 M HA 0.201 4.680 4.480 -0.000 0.000 0.344 90 M C 0.078 176.323 176.300 -0.090 0.000 1.161 90 M CA 0.223 55.472 55.300 -0.085 0.000 1.126 90 M CB 1.509 34.058 32.600 -0.085 0.000 1.522 90 M HN 0.314 nan 8.290 nan 0.000 0.461 91 S N 0.407 116.039 115.700 -0.112 0.000 2.558 91 S HA 0.198 4.668 4.470 -0.000 0.000 0.277 91 S C -0.008 174.499 174.600 -0.155 0.000 1.143 91 S CA -0.686 57.447 58.200 -0.111 0.000 0.865 91 S CB 1.491 64.653 63.200 -0.064 0.000 1.102 91 S HN 0.850 nan 8.310 nan 0.000 0.454 92 E N 1.034 121.124 120.200 -0.185 0.000 2.204 92 E HA -0.083 4.266 4.350 -0.000 0.000 0.194 92 E C -0.198 176.332 176.600 -0.115 0.000 0.989 92 E CA 0.592 56.861 56.400 -0.217 0.000 0.824 92 E CB 0.100 29.670 29.700 -0.216 0.000 0.756 92 E HN 0.579 nan 8.360 nan 0.000 0.477 93 D N 0.064 120.432 120.400 -0.053 0.000 2.441 93 D HA -0.041 4.599 4.640 -0.000 0.000 0.243 93 D C 0.063 176.447 176.300 0.139 0.000 1.257 93 D CA -0.085 53.930 54.000 0.024 0.000 1.027 93 D CB -0.095 40.742 40.800 0.062 0.000 1.084 93 D HN 0.158 nan 8.370 nan 0.000 0.514 94 c N 2.329 120.981 118.600 0.087 0.000 4.015 94 c HA 0.363 4.933 4.570 -0.000 0.000 0.323 94 c C 0.680 174.866 174.090 0.159 0.000 1.724 94 c CA -0.677 55.765 56.329 0.187 0.000 1.828 94 c CB -1.212 41.324 42.510 0.043 0.000 3.083 94 c HN 0.413 nan 8.230 nan 0.000 0.640 95 L N 2.636 123.695 121.223 -0.273 0.000 2.395 95 L HA 0.406 4.746 4.340 -0.000 0.000 0.268 95 L C -0.908 175.261 176.870 -1.167 0.000 1.223 95 L CA 0.466 54.903 54.840 -0.672 0.000 1.093 95 L CB -0.610 40.920 42.059 -0.883 0.000 1.349 95 L HN 0.373 nan 8.230 nan 0.000 0.427 96 Y N 2.107 122.290 120.300 -0.195 0.000 2.576 96 Y HA 0.660 5.210 4.550 -0.000 0.000 0.346 96 Y C -0.137 175.923 175.900 0.267 0.000 1.018 96 Y CA -1.268 56.804 58.100 -0.046 0.000 1.050 96 Y CB 1.998 40.423 38.460 -0.058 0.000 1.280 96 Y HN 0.208 nan 8.280 nan 0.000 0.474 97 L N -0.064 121.327 121.223 0.280 0.000 2.333 97 L HA 0.760 5.100 4.340 -0.000 0.000 0.263 97 L C -1.300 175.598 176.870 0.045 0.000 1.014 97 L CA -1.129 53.789 54.840 0.130 0.000 0.820 97 L CB 1.882 43.894 42.059 -0.078 0.000 1.352 97 L HN 0.474 nan 8.230 nan 0.000 0.421 98 N N 2.122 120.864 118.700 0.069 0.000 2.269 98 N HA 0.712 5.451 4.740 -0.000 0.000 0.304 98 N C -1.268 174.184 175.510 -0.097 0.000 1.072 98 N CA -0.277 52.742 53.050 -0.052 0.000 0.802 98 N CB 2.705 41.188 38.487 -0.007 0.000 1.348 98 N HN 0.659 nan 8.380 nan 0.000 0.484 99 I N 0.152 120.572 120.570 -0.249 0.000 2.533 99 I HA 0.410 4.579 4.170 -0.000 0.000 0.290 99 I C -0.748 175.300 176.117 -0.115 0.000 1.056 99 I CA -0.752 60.487 61.300 -0.102 0.000 1.057 99 I CB 2.223 40.053 38.000 -0.283 0.000 1.240 99 I HN 0.256 nan 8.210 nan 0.000 0.423 100 W N 5.492 126.913 121.300 0.203 0.000 2.429 100 W HA 0.603 5.263 4.660 -0.000 0.000 0.314 100 W C -0.988 175.665 176.519 0.223 0.000 1.062 100 W CA -0.701 56.775 57.345 0.217 0.000 1.211 100 W CB 2.275 31.837 29.460 0.170 0.000 1.305 100 W HN 0.114 nan 8.180 nan 0.000 0.476 101 V N 5.301 125.486 119.914 0.453 0.000 2.483 101 V HA 0.259 4.379 4.120 -0.000 0.000 0.297 101 V C -1.902 174.393 176.094 0.335 0.000 1.027 101 V CA -2.270 60.256 62.300 0.377 0.000 0.855 101 V CB 2.031 34.120 31.823 0.443 0.000 0.995 101 V HN 0.255 nan 8.190 nan 0.000 0.424 102 P HA 0.029 nan 4.420 nan 0.000 0.266 102 P C -0.366 177.068 177.300 0.223 0.000 1.193 102 P CA 0.365 63.609 63.100 0.240 0.000 0.770 102 P CB 0.712 32.517 31.700 0.175 0.000 0.836 103 S N 2.868 118.699 115.700 0.218 0.000 2.456 103 S HA 0.561 5.031 4.470 -0.000 0.000 0.316 103 S C -2.149 172.544 174.600 0.156 0.000 1.089 103 S CA -1.391 56.918 58.200 0.181 0.000 1.101 103 S CB -0.047 63.257 63.200 0.174 0.000 0.995 103 S HN 0.258 nan 8.310 nan 0.000 0.468 104 P HA 0.358 nan 4.420 nan 0.000 0.281 104 P C -0.781 176.594 177.300 0.125 0.000 1.264 104 P CA -0.885 62.286 63.100 0.117 0.000 0.824 104 P CB 0.571 32.324 31.700 0.089 0.000 1.092 105 R N 1.521 122.101 120.500 0.133 0.000 2.480 105 R HA 0.134 4.474 4.340 -0.000 0.000 0.303 105 R C -1.857 174.505 176.300 0.103 0.000 0.985 105 R CA -0.873 55.311 56.100 0.140 0.000 1.051 105 R CB -0.579 29.808 30.300 0.145 0.000 0.935 105 R HN 0.369 nan 8.270 nan 0.000 0.410 106 P HA 0.081 nan 4.420 nan 0.000 0.272 106 P C -0.166 177.166 177.300 0.055 0.000 1.230 106 P CA -0.378 62.766 63.100 0.073 0.000 0.788 106 P CB 0.807 32.552 31.700 0.075 0.000 0.949 107 K N 0.600 121.022 120.400 0.035 0.000 1.984 107 K HA -0.005 4.315 4.320 -0.000 0.000 0.209 107 K C 0.432 177.035 176.600 0.006 0.000 1.046 107 K CA 1.461 57.759 56.287 0.018 0.000 0.934 107 K CB -0.075 32.431 32.500 0.010 0.000 0.717 107 K HN 0.504 nan 8.250 nan 0.000 0.438 108 S N -0.045 115.657 115.700 0.004 0.000 2.397 108 S HA 0.189 4.659 4.470 -0.000 0.000 0.190 108 S C -0.836 173.764 174.600 -0.000 0.000 1.100 108 S CA -0.899 57.296 58.200 -0.009 0.000 1.150 108 S CB 0.993 64.172 63.200 -0.036 0.000 1.302 108 S HN 0.113 nan 8.310 nan 0.000 0.417 109 T N 2.069 116.634 114.554 0.019 0.000 2.937 109 T HA 0.613 4.963 4.350 -0.000 0.000 0.283 109 T C 0.155 174.869 174.700 0.024 0.000 1.012 109 T CA -0.104 62.009 62.100 0.023 0.000 0.997 109 T CB 1.335 70.227 68.868 0.041 0.000 1.136 109 T HN 0.636 nan 8.240 nan 0.000 0.551 110 T N 2.042 116.606 114.554 0.017 0.000 2.934 110 T HA 0.344 4.694 4.350 -0.000 0.000 0.306 110 T C -0.408 174.318 174.700 0.044 0.000 1.042 110 T CA -0.135 61.973 62.100 0.013 0.000 1.145 110 T CB 0.138 69.000 68.868 -0.010 0.000 0.982 110 T HN 0.390 nan 8.240 nan 0.000 0.544 111 V N 5.044 124.990 119.914 0.054 0.000 2.604 111 V HA 0.531 4.651 4.120 -0.000 0.000 0.305 111 V C -0.127 176.031 176.094 0.107 0.000 1.043 111 V CA -0.832 61.525 62.300 0.094 0.000 0.888 111 V CB 1.760 33.645 31.823 0.103 0.000 0.995 111 V HN 0.836 nan 8.190 nan 0.000 0.429 112 M N 4.251 123.943 119.600 0.153 0.000 2.197 112 M HA 0.528 5.008 4.480 -0.000 0.000 0.301 112 M C -1.181 175.369 176.300 0.415 0.000 0.987 112 M CA -0.617 54.810 55.300 0.212 0.000 0.921 112 M CB 2.241 34.853 32.600 0.020 0.000 1.569 112 M HN 0.374 nan 8.290 nan 0.000 0.431 113 V N 3.075 123.249 119.914 0.435 0.000 2.350 113 V HA 0.247 4.367 4.120 -0.000 0.000 0.276 113 V C -0.588 175.751 176.094 0.408 0.000 1.028 113 V CA -0.551 61.971 62.300 0.369 0.000 0.860 113 V CB 0.935 32.853 31.823 0.159 0.000 0.990 113 V HN 0.863 nan 8.190 nan 0.000 0.453 114 W N 6.960 128.303 121.300 0.070 0.000 2.311 114 W HA 0.524 5.183 4.660 -0.000 0.000 0.310 114 W C -1.019 175.355 176.519 -0.241 0.000 1.274 114 W CA -0.711 56.412 57.345 -0.370 0.000 1.215 114 W CB 0.941 30.276 29.460 -0.209 0.000 1.227 114 W HN 0.458 nan 8.180 nan 0.000 0.523 115 I N 9.708 129.646 120.570 -1.054 0.000 2.371 115 I HA 0.034 4.204 4.170 -0.000 0.000 0.282 115 I C -0.098 175.249 176.117 -1.283 0.000 1.031 115 I CA -1.101 59.644 61.300 -0.924 0.000 1.180 115 I CB 0.253 37.896 38.000 -0.594 0.000 1.336 115 I HN 0.294 nan 8.210 nan 0.000 0.467 116 Y N 4.603 124.371 120.300 -0.886 0.000 2.757 116 Y HA 0.476 5.026 4.550 -0.000 0.000 0.344 116 Y C 0.812 176.545 175.900 -0.277 0.000 1.263 116 Y CA -0.649 57.101 58.100 -0.583 0.000 1.493 116 Y CB -0.193 38.188 38.460 -0.132 0.000 1.342 116 Y HN 0.523 nan 8.280 nan 0.000 0.627 117 G N -0.476 108.356 108.800 0.054 0.000 2.641 117 G HA2 0.496 4.456 3.960 -0.000 0.000 0.239 117 G HA3 0.496 4.456 3.960 -0.000 0.000 0.239 117 G C 0.355 175.241 174.900 -0.023 0.000 1.402 117 G CA -0.917 44.177 45.100 -0.010 0.000 1.046 117 G HN 1.777 nan 8.290 nan 0.000 0.565 118 G N -2.757 105.886 108.800 -0.261 0.000 2.189 118 G HA2 0.400 4.360 3.960 -0.000 0.000 0.113 118 G HA3 0.400 4.360 3.960 -0.000 0.000 0.113 118 G C 1.080 175.542 174.900 -0.731 0.000 1.038 118 G CA 0.718 45.534 45.100 -0.474 0.000 0.704 118 G HN 2.387 nan 8.290 nan 0.000 0.490 119 G N -0.822 107.552 108.800 -0.710 0.000 2.148 119 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.254 119 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.254 119 G C 0.891 175.633 174.900 -0.262 0.000 0.981 119 G CA 0.792 45.300 45.100 -0.987 0.000 0.670 119 G HN 1.825 nan 8.290 nan 0.000 0.528 120 F N -3.139 116.773 119.950 -0.064 0.000 2.871 120 F HA -0.306 4.221 4.527 -0.000 0.000 0.326 120 F C 1.421 177.335 175.800 0.190 0.000 0.675 120 F CA 2.177 60.228 58.000 0.084 0.000 1.188 120 F CB -2.058 36.820 39.000 -0.203 0.000 1.567 120 F HN 0.951 nan 8.300 nan 0.000 0.325 121 Y N -0.848 119.526 120.300 0.124 0.000 2.500 121 Y HA 0.650 5.200 4.550 -0.000 0.000 0.246 121 Y C 0.620 176.608 175.900 0.146 0.000 1.146 121 Y CA 0.360 58.547 58.100 0.144 0.000 1.230 121 Y CB 0.125 38.588 38.460 0.005 0.000 1.214 121 Y HN 0.119 nan 8.280 nan 0.000 0.526 122 S N -0.782 114.657 115.700 -0.434 0.000 2.703 122 S HA 0.845 5.315 4.470 -0.000 0.000 0.273 122 S C -0.257 174.130 174.600 -0.355 0.000 1.178 122 S CA -0.463 57.506 58.200 -0.385 0.000 0.838 122 S CB 1.290 64.137 63.200 -0.588 0.000 1.178 122 S HN 1.378 nan 8.310 nan 0.000 0.494 123 G N -0.191 108.370 108.800 -0.397 0.000 2.525 123 G HA2 0.436 4.396 3.960 -0.000 0.000 0.685 123 G HA3 0.436 4.396 3.960 -0.000 0.000 0.685 123 G C -0.917 173.343 174.900 -1.066 0.000 1.285 123 G CA -0.319 44.386 45.100 -0.658 0.000 0.849 123 G HN 1.698 nan 8.290 nan 0.000 0.653 124 S N -0.644 114.466 115.700 -0.984 0.000 2.541 124 S HA 0.700 5.170 4.470 -0.000 0.000 0.271 124 S C 0.956 175.438 174.600 -0.197 0.000 1.133 124 S CA 0.030 57.820 58.200 -0.683 0.000 0.876 124 S CB 1.783 64.797 63.200 -0.311 0.000 1.105 124 S HN 2.068 nan 8.310 nan 0.000 0.470 125 S N -0.090 115.694 115.700 0.140 0.000 2.561 125 S HA -0.071 4.399 4.470 -0.000 0.000 0.225 125 S C 1.301 175.985 174.600 0.140 0.000 0.977 125 S CA 0.962 59.404 58.200 0.403 0.000 0.926 125 S CB -0.798 62.645 63.200 0.406 0.000 0.769 125 S HN 0.902 nan 8.310 nan 0.000 0.533 126 T N 0.008 114.448 114.554 -0.190 0.000 3.105 126 T HA 0.421 4.771 4.350 -0.000 0.000 0.253 126 T C 0.478 174.903 174.700 -0.458 0.000 1.047 126 T CA -0.595 61.082 62.100 -0.706 0.000 0.944 126 T CB -0.553 67.832 68.868 -0.806 0.000 1.016 126 T HN 0.318 nan 8.240 nan 0.000 0.544 127 L N 1.860 122.890 121.223 -0.322 0.000 2.483 127 L HA 0.189 4.529 4.340 -0.000 0.000 0.275 127 L C 1.296 177.932 176.870 -0.390 0.000 1.220 127 L CA -0.561 54.008 54.840 -0.453 0.000 0.833 127 L CB 0.286 41.862 42.059 -0.805 0.000 1.102 127 L HN 0.035 nan 8.230 nan 0.000 0.490 128 D N 0.983 121.185 120.400 -0.330 0.000 2.158 128 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 128 D C 1.943 178.047 176.300 -0.327 0.000 0.995 128 D CA 1.328 55.186 54.000 -0.236 0.000 0.846 128 D CB -0.130 40.546 40.800 -0.206 0.000 0.941 128 D HN 0.522 nan 8.370 nan 0.000 0.456 129 V N -1.534 118.036 119.914 -0.573 0.000 3.141 129 V HA -0.130 3.990 4.120 -0.000 0.000 0.265 129 V C 1.012 176.662 176.094 -0.741 0.000 1.126 129 V CA 0.946 62.883 62.300 -0.604 0.000 1.141 129 V CB -1.041 30.361 31.823 -0.700 0.000 0.743 129 V HN 0.076 nan 8.190 nan 0.000 0.492 130 Y N 0.057 119.897 120.300 -0.767 0.000 2.607 130 Y HA 0.446 4.995 4.550 -0.000 0.000 0.266 130 Y C 1.004 176.522 175.900 -0.637 0.000 1.178 130 Y CA -1.922 55.443 58.100 -1.226 0.000 1.226 130 Y CB -1.050 37.023 38.460 -0.645 0.000 1.144 130 Y HN 0.247 nan 8.280 nan 0.000 0.528 131 N N 1.531 120.083 118.700 -0.246 0.000 2.429 131 N HA -0.011 4.729 4.740 -0.000 0.000 0.271 131 N C 1.274 176.532 175.510 -0.421 0.000 1.272 131 N CA 0.599 53.538 53.050 -0.185 0.000 0.921 131 N CB 1.095 39.560 38.487 -0.036 0.000 1.128 131 N HN 0.480 nan 8.380 nan 0.000 0.481 132 G N 3.244 111.251 108.800 -1.322 0.000 2.985 132 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.209 132 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.209 132 G C 1.379 175.626 174.900 -1.089 0.000 1.165 132 G CA 0.133 44.511 45.100 -1.202 0.000 0.776 132 G HN 0.730 nan 8.290 nan 0.000 0.541 133 K N -0.283 119.428 120.400 -1.148 0.000 2.097 133 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 133 K C 1.699 178.093 176.600 -0.344 0.000 1.050 133 K CA 0.998 56.903 56.287 -0.637 0.000 0.938 133 K CB -0.518 31.682 32.500 -0.500 0.000 0.718 133 K HN 0.385 nan 8.250 nan 0.000 0.442 134 Y N 1.046 121.283 120.300 -0.106 0.000 2.220 134 Y HA -0.118 4.431 4.550 -0.000 0.000 0.291 134 Y C 2.409 178.321 175.900 0.019 0.000 1.129 134 Y CA 0.308 58.406 58.100 -0.003 0.000 1.161 134 Y CB -0.323 38.110 38.460 -0.046 0.000 0.997 134 Y HN 0.004 nan 8.280 nan 0.000 0.522 135 L N 0.661 121.926 121.223 0.070 0.000 2.005 135 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 135 L C 2.398 179.283 176.870 0.026 0.000 1.072 135 L CA 2.005 56.835 54.840 -0.017 0.000 0.744 135 L CB -1.332 40.627 42.059 -0.167 0.000 0.895 135 L HN 0.157 nan 8.230 nan 0.000 0.433 136 A N -1.502 121.346 122.820 0.045 0.000 1.902 136 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 136 A C 2.348 180.020 177.584 0.147 0.000 1.181 136 A CA 1.943 54.052 52.037 0.120 0.000 0.623 136 A CB -1.231 17.898 19.000 0.214 0.000 0.818 136 A HN 0.660 nan 8.150 nan 0.000 0.443 137 Y N 0.955 121.283 120.300 0.047 0.000 2.089 137 Y HA -0.205 4.345 4.550 -0.000 0.000 0.282 137 Y C 2.683 178.614 175.900 0.052 0.000 1.139 137 Y CA 2.529 60.663 58.100 0.056 0.000 1.123 137 Y CB -0.548 37.934 38.460 0.037 0.000 0.980 137 Y HN 0.295 nan 8.280 nan 0.000 0.493 138 T N 0.304 114.829 114.554 -0.047 0.000 2.777 138 T HA -0.126 4.223 4.350 -0.000 0.000 0.266 138 T C 1.308 175.943 174.700 -0.108 0.000 1.040 138 T CA 1.625 63.638 62.100 -0.146 0.000 1.141 138 T CB -0.125 68.751 68.868 0.014 0.000 0.868 138 T HN 0.334 nan 8.240 nan 0.000 0.444 139 E N 0.323 120.504 120.200 -0.033 0.000 2.474 139 E HA 0.145 4.495 4.350 -0.000 0.000 0.195 139 E C 0.263 176.862 176.600 -0.001 0.000 1.039 139 E CA 0.031 56.434 56.400 0.005 0.000 0.881 139 E CB 0.205 29.916 29.700 0.020 0.000 0.970 139 E HN 0.500 nan 8.360 nan 0.000 0.486 140 E N -0.050 120.141 120.200 -0.015 0.000 2.416 140 E HA -0.165 4.185 4.350 -0.000 0.000 0.249 140 E C -0.488 176.139 176.600 0.045 0.000 1.124 140 E CA 0.528 56.936 56.400 0.014 0.000 0.732 140 E CB -1.330 28.372 29.700 0.003 0.000 1.286 140 E HN 0.159 nan 8.360 nan 0.000 0.394 141 V N -3.100 116.852 119.914 0.063 0.000 2.769 141 V HA 0.724 4.844 4.120 -0.000 0.000 0.312 141 V C 0.483 176.659 176.094 0.135 0.000 1.058 141 V CA -0.885 61.462 62.300 0.079 0.000 0.952 141 V CB 2.187 34.039 31.823 0.049 0.000 1.019 141 V HN -0.041 nan 8.190 nan 0.000 0.445 142 V N 4.633 124.632 119.914 0.142 0.000 2.427 142 V HA 0.306 4.426 4.120 -0.000 0.000 0.268 142 V C 0.068 176.293 176.094 0.217 0.000 1.046 142 V CA 0.078 62.490 62.300 0.188 0.000 0.970 142 V CB 0.704 32.622 31.823 0.159 0.000 1.001 142 V HN 0.787 nan 8.190 nan 0.000 0.476 143 L N 7.139 128.546 121.223 0.307 0.000 2.280 143 L HA 0.588 4.928 4.340 -0.000 0.000 0.287 143 L C -0.385 176.775 176.870 0.484 0.000 1.023 143 L CA 0.049 55.117 54.840 0.380 0.000 0.819 143 L CB 1.471 43.746 42.059 0.360 0.000 1.212 143 L HN 0.440 nan 8.230 nan 0.000 0.420 144 V N 3.462 123.617 119.914 0.401 0.000 2.472 144 V HA 0.589 4.709 4.120 -0.000 0.000 0.290 144 V C -0.002 176.355 176.094 0.438 0.000 1.037 144 V CA -0.454 62.055 62.300 0.348 0.000 0.908 144 V CB 1.770 33.713 31.823 0.200 0.000 0.985 144 V HN 0.856 nan 8.190 nan 0.000 0.454 145 S N 5.202 121.174 115.700 0.453 0.000 2.498 145 S HA 0.779 5.249 4.470 -0.000 0.000 0.317 145 S C -0.747 174.002 174.600 0.248 0.000 1.090 145 S CA -0.801 57.656 58.200 0.428 0.000 1.089 145 S CB 1.331 64.901 63.200 0.617 0.000 0.997 145 S HN 0.670 nan 8.310 nan 0.000 0.470 146 L N 1.359 122.654 121.223 0.120 0.000 2.472 146 L HA 0.959 5.299 4.340 -0.000 0.000 0.256 146 L C 0.151 177.112 176.870 0.151 0.000 1.111 146 L CA -0.548 54.306 54.840 0.024 0.000 0.800 146 L CB 0.239 42.188 42.059 -0.183 0.000 1.286 146 L HN 0.829 nan 8.230 nan 0.000 0.479 147 S N -1.499 114.365 115.700 0.274 0.000 2.704 147 S HA 0.916 5.385 4.470 -0.000 0.000 0.296 147 S C -1.166 173.668 174.600 0.389 0.000 1.138 147 S CA -0.500 57.897 58.200 0.329 0.000 0.875 147 S CB 1.504 64.956 63.200 0.419 0.000 1.151 147 S HN 1.129 nan 8.310 nan 0.000 0.500 148 Y N -2.087 118.325 120.300 0.187 0.000 2.641 148 Y HA 0.670 5.220 4.550 -0.000 0.000 0.333 148 Y C -0.844 175.190 175.900 0.224 0.000 1.174 148 Y CA -1.418 56.785 58.100 0.172 0.000 1.057 148 Y CB 0.636 39.150 38.460 0.090 0.000 1.322 148 Y HN 0.728 nan 8.280 nan 0.000 0.457 149 R N 1.832 122.464 120.500 0.219 0.000 2.489 149 R HA 0.513 4.853 4.340 -0.000 0.000 0.287 149 R C -0.060 176.405 176.300 0.275 0.000 1.053 149 R CA -0.117 56.069 56.100 0.143 0.000 1.036 149 R CB 0.867 31.224 30.300 0.094 0.000 0.966 149 R HN 0.698 nan 8.270 nan 0.000 0.432 150 V N 0.494 120.578 119.914 0.283 0.000 3.234 150 V HA 0.831 4.951 4.120 -0.000 0.000 0.317 150 V C 0.927 177.347 176.094 0.544 0.000 1.147 150 V CA -0.164 62.422 62.300 0.476 0.000 1.037 150 V CB 1.002 32.982 31.823 0.261 0.000 1.148 150 V HN 0.947 nan 8.190 nan 0.000 0.455 151 G N 0.391 109.542 108.800 0.584 0.000 2.564 151 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.309 151 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.309 151 G C 1.169 176.285 174.900 0.361 0.000 1.320 151 G CA 1.602 47.013 45.100 0.518 0.000 0.941 151 G HN 2.241 nan 8.290 nan 0.000 0.543 152 A N -1.255 121.480 122.820 -0.142 0.000 1.896 152 A HA -0.031 4.289 4.320 -0.000 0.000 0.220 152 A C 2.278 179.742 177.584 -0.200 0.000 1.206 152 A CA 2.992 54.569 52.037 -0.767 0.000 0.647 152 A CB -0.699 17.681 19.000 -1.034 0.000 0.828 152 A HN 1.054 nan 8.150 nan 0.000 0.455 153 F N -0.199 119.818 119.950 0.111 0.000 2.307 153 F HA -0.014 4.513 4.527 -0.000 0.000 0.301 153 F C 2.396 178.220 175.800 0.040 0.000 1.076 153 F CA 1.044 59.079 58.000 0.057 0.000 1.383 153 F CB -0.507 38.464 39.000 -0.049 0.000 1.055 153 F HN 0.314 nan 8.300 nan 0.000 0.526 154 G N -2.256 106.658 108.800 0.190 0.000 2.781 154 G HA2 0.097 4.057 3.960 -0.000 0.000 0.208 154 G HA3 0.097 4.057 3.960 -0.000 0.000 0.208 154 G C 0.755 175.258 174.900 -0.662 0.000 1.099 154 G CA 0.046 45.022 45.100 -0.208 0.000 0.776 154 G HN 0.347 nan 8.290 nan 0.000 0.532 155 F N -0.206 119.837 119.950 0.155 0.000 2.825 155 F HA 0.439 4.966 4.527 -0.000 0.000 0.322 155 F C 0.310 176.165 175.800 0.092 0.000 1.127 155 F CA -0.882 57.187 58.000 0.116 0.000 1.164 155 F CB 0.541 39.618 39.000 0.128 0.000 1.101 155 F HN -0.098 nan 8.300 nan 0.000 0.529 156 L N 2.387 123.615 121.223 0.008 0.000 2.559 156 L HA 0.395 4.734 4.340 -0.000 0.000 0.274 156 L C 0.241 177.081 176.870 -0.050 0.000 1.205 156 L CA 0.284 55.019 54.840 -0.175 0.000 0.907 156 L CB 0.348 41.972 42.059 -0.724 0.000 1.153 156 L HN 0.180 nan 8.230 nan 0.000 0.490 157 A N 7.078 129.926 122.820 0.047 0.000 2.409 157 A HA 0.564 4.884 4.320 -0.000 0.000 0.300 157 A C -0.694 176.911 177.584 0.035 0.000 1.273 157 A CA -0.470 51.599 52.037 0.054 0.000 0.774 157 A CB 0.277 19.333 19.000 0.094 0.000 1.144 157 A HN 0.700 nan 8.150 nan 0.000 0.472 158 L N 3.562 124.791 121.223 0.010 0.000 2.494 158 L HA 0.230 4.570 4.340 -0.000 0.000 0.251 158 L C 0.235 177.147 176.870 0.070 0.000 1.119 158 L CA -0.752 54.099 54.840 0.019 0.000 1.026 158 L CB -0.038 41.999 42.059 -0.036 0.000 1.370 158 L HN 0.816 nan 8.230 nan 0.000 0.426 159 H N 1.694 120.764 119.070 0.000 0.000 3.094 159 H HA 0.251 4.807 4.556 -0.000 0.000 0.320 159 H C 1.116 176.449 175.328 0.007 0.000 1.000 159 H CA 1.273 57.328 56.048 0.011 0.000 1.413 159 H CB 0.825 30.597 29.762 0.017 0.000 1.405 159 H HN 0.661 nan 8.280 nan 0.000 0.586 160 G N 2.715 111.277 108.800 -0.397 0.000 2.397 160 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.211 160 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.211 160 G C 0.513 175.340 174.900 -0.120 0.000 1.077 160 G CA 0.290 45.218 45.100 -0.287 0.000 0.649 160 G HN 1.075 nan 8.290 nan 0.000 0.511 161 S N 0.625 116.291 115.700 -0.057 0.000 2.585 161 S HA 0.557 5.027 4.470 -0.000 0.000 0.273 161 S C 0.927 175.528 174.600 0.001 0.000 1.339 161 S CA 0.689 58.877 58.200 -0.020 0.000 1.028 161 S CB 1.556 64.751 63.200 -0.009 0.000 0.906 161 S HN 0.305 nan 8.310 nan 0.000 0.528 162 Q N 0.983 120.790 119.800 0.011 0.000 2.247 162 Q HA 0.201 4.541 4.340 -0.000 0.000 0.211 162 Q C 1.041 177.066 176.000 0.042 0.000 0.861 162 Q CA 0.166 55.986 55.803 0.027 0.000 0.949 162 Q CB 0.354 29.105 28.738 0.021 0.000 1.115 162 Q HN 0.768 nan 8.270 nan 0.000 0.507 163 E N 0.351 120.578 120.200 0.045 0.000 2.190 163 E HA 0.105 4.455 4.350 -0.000 0.000 0.191 163 E C 0.189 176.848 176.600 0.098 0.000 0.978 163 E CA 0.472 56.915 56.400 0.071 0.000 0.839 163 E CB 0.614 30.358 29.700 0.074 0.000 0.787 163 E HN 0.087 nan 8.360 nan 0.000 0.473 164 A N 2.033 124.886 122.820 0.054 0.000 3.266 164 A HA 0.303 4.623 4.320 -0.000 0.000 0.310 164 A C -2.150 175.444 177.584 0.017 0.000 1.066 164 A CA -0.955 51.098 52.037 0.028 0.000 0.839 164 A CB 0.726 19.653 19.000 -0.121 0.000 1.192 164 A HN -0.120 nan 8.150 nan 0.000 0.496 165 P HA 0.184 nan 4.420 nan 0.000 0.236 165 P C 0.867 178.221 177.300 0.089 0.000 1.177 165 P CA 1.534 64.683 63.100 0.081 0.000 0.773 165 P CB 0.285 32.036 31.700 0.085 0.000 0.878 166 G N 0.887 109.718 108.800 0.053 0.000 2.699 166 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 166 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 166 G C -0.109 174.799 174.900 0.014 0.000 1.301 166 G CA -0.279 44.854 45.100 0.056 0.000 0.816 166 G HN 0.108 nan 8.290 nan 0.000 0.595 167 N N -2.561 116.149 118.700 0.017 0.000 2.828 167 N HA -0.273 4.467 4.740 -0.000 0.000 0.248 167 N C 1.850 177.204 175.510 -0.260 0.000 1.044 167 N CA 2.563 55.551 53.050 -0.103 0.000 0.851 167 N CB -1.650 36.704 38.487 -0.223 0.000 1.136 167 N HN 1.946 nan 8.380 nan 0.000 0.572 168 V N -2.773 116.975 119.914 -0.276 0.000 2.759 168 V HA 0.076 4.195 4.120 -0.000 0.000 0.256 168 V C 2.251 178.201 176.094 -0.240 0.000 1.080 168 V CA 2.215 64.403 62.300 -0.186 0.000 1.101 168 V CB -0.774 31.002 31.823 -0.078 0.000 0.698 168 V HN 0.273 nan 8.190 nan 0.000 0.477 169 G N 0.468 108.908 108.800 -0.600 0.000 2.422 169 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.218 169 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.218 169 G C 1.536 176.410 174.900 -0.043 0.000 1.146 169 G CA 1.150 46.047 45.100 -0.337 0.000 0.769 169 G HN 0.534 nan 8.290 nan 0.000 0.547 170 L N -0.258 120.895 121.223 -0.118 0.000 2.109 170 L HA 0.105 4.445 4.340 -0.000 0.000 0.207 170 L C 2.824 179.754 176.870 0.101 0.000 1.086 170 L CA 0.326 55.105 54.840 -0.102 0.000 0.760 170 L CB -0.245 41.473 42.059 -0.569 0.000 0.910 170 L HN 0.181 nan 8.230 nan 0.000 0.437 171 L N -0.689 120.579 121.223 0.074 0.000 2.093 171 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 171 L C 2.179 179.143 176.870 0.157 0.000 1.085 171 L CA 0.877 55.823 54.840 0.177 0.000 0.755 171 L CB -0.609 41.526 42.059 0.127 0.000 0.904 171 L HN 0.235 nan 8.230 nan 0.000 0.435 172 D N 0.067 120.550 120.400 0.139 0.000 2.126 172 D HA -0.247 4.393 4.640 -0.000 0.000 0.190 172 D C 2.282 178.703 176.300 0.202 0.000 1.001 172 D CA 1.357 55.499 54.000 0.237 0.000 0.841 172 D CB -0.194 40.764 40.800 0.264 0.000 0.949 172 D HN 0.363 nan 8.370 nan 0.000 0.446 173 Q N -0.168 119.697 119.800 0.109 0.000 2.096 173 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 173 Q C 2.309 178.249 176.000 -0.100 0.000 0.982 173 Q CA 1.148 56.932 55.803 -0.031 0.000 0.850 173 Q CB -0.071 28.670 28.738 0.005 0.000 0.901 173 Q HN 0.212 nan 8.270 nan 0.000 0.422 174 R N 0.361 120.888 120.500 0.045 0.000 2.096 174 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 174 R C 2.165 178.467 176.300 0.005 0.000 1.127 174 R CA 1.447 57.555 56.100 0.014 0.000 0.968 174 R CB -0.120 30.273 30.300 0.154 0.000 0.861 174 R HN 0.249 nan 8.270 nan 0.000 0.440 175 M N -0.142 119.494 119.600 0.060 0.000 2.175 175 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 175 M C 2.070 178.367 176.300 -0.005 0.000 1.063 175 M CA 1.808 57.177 55.300 0.116 0.000 1.119 175 M CB 0.046 32.808 32.600 0.271 0.000 1.377 175 M HN 0.294 nan 8.290 nan 0.000 0.415 176 A N 0.134 122.718 122.820 -0.393 0.000 1.933 176 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 176 A C 1.982 179.448 177.584 -0.196 0.000 1.175 176 A CA 1.393 52.984 52.037 -0.744 0.000 0.628 176 A CB -0.924 17.381 19.000 -1.158 0.000 0.814 176 A HN 0.563 nan 8.150 nan 0.000 0.444 177 L N -1.276 119.869 121.223 -0.130 0.000 2.109 177 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 177 L C 2.786 179.713 176.870 0.095 0.000 1.086 177 L CA 1.467 56.297 54.840 -0.018 0.000 0.760 177 L CB -0.504 41.507 42.059 -0.080 0.000 0.910 177 L HN 0.446 nan 8.230 nan 0.000 0.437 178 Q N -0.060 119.789 119.800 0.082 0.000 2.096 178 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 178 Q C 2.022 178.147 176.000 0.210 0.000 0.982 178 Q CA 1.991 57.862 55.803 0.113 0.000 0.850 178 Q CB -0.516 28.272 28.738 0.083 0.000 0.901 178 Q HN 0.480 nan 8.270 nan 0.000 0.422 179 W N -0.842 120.487 121.300 0.047 0.000 2.363 179 W HA -0.154 4.506 4.660 -0.000 0.000 0.296 179 W C 1.779 178.352 176.519 0.089 0.000 1.212 179 W CA 1.529 58.924 57.345 0.082 0.000 1.260 179 W CB -0.014 29.489 29.460 0.072 0.000 1.131 179 W HN 0.023 nan 8.180 nan 0.000 0.530 180 V N -0.311 119.839 119.914 0.392 0.000 2.323 180 V HA -0.344 3.776 4.120 -0.000 0.000 0.244 180 V C 2.515 178.682 176.094 0.122 0.000 1.041 180 V CA 2.256 64.728 62.300 0.286 0.000 1.025 180 V CB -1.258 30.697 31.823 0.220 0.000 0.656 180 V HN 0.305 nan 8.190 nan 0.000 0.451 181 H N 0.623 119.719 119.070 0.042 0.000 2.289 181 H HA -0.226 4.330 4.556 -0.000 0.000 0.294 181 H C 2.061 177.343 175.328 -0.076 0.000 1.095 181 H CA 2.427 58.469 56.048 -0.010 0.000 1.256 181 H CB -0.073 29.692 29.762 0.005 0.000 1.359 181 H HN 0.430 nan 8.280 nan 0.000 0.487 182 D N -0.163 120.239 120.400 0.004 0.000 2.149 182 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 182 D C 1.443 177.596 176.300 -0.246 0.000 0.972 182 D CA 0.877 54.802 54.000 -0.124 0.000 0.835 182 D CB -0.115 40.623 40.800 -0.103 0.000 0.966 182 D HN 0.462 nan 8.370 nan 0.000 0.476 183 N N -0.362 118.133 118.700 -0.341 0.000 2.166 183 N HA 0.055 4.795 4.740 -0.000 0.000 0.213 183 N C 1.390 176.881 175.510 -0.032 0.000 1.222 183 N CA -0.129 52.769 53.050 -0.254 0.000 0.900 183 N CB 1.175 39.140 38.487 -0.870 0.000 1.055 183 N HN 0.048 nan 8.380 nan 0.000 0.515 184 I N 2.856 123.405 120.570 -0.035 0.000 2.546 184 I HA -0.206 3.964 4.170 -0.000 0.000 0.255 184 I C 2.556 178.683 176.117 0.017 0.000 1.163 184 I CA 1.114 62.504 61.300 0.149 0.000 1.457 184 I CB -0.119 37.944 38.000 0.106 0.000 1.092 184 I HN 0.143 nan 8.210 nan 0.000 0.434 185 Q N -0.374 119.258 119.800 -0.280 0.000 2.217 185 Q HA -0.270 4.070 4.340 -0.000 0.000 0.209 185 Q C 1.803 177.553 176.000 -0.417 0.000 0.988 185 Q CA 1.933 57.493 55.803 -0.405 0.000 0.878 185 Q CB -1.049 27.328 28.738 -0.603 0.000 0.909 185 Q HN 0.446 nan 8.270 nan 0.000 0.424 186 F N -0.446 119.435 119.950 -0.115 0.000 2.604 186 F HA 0.120 4.647 4.527 -0.000 0.000 0.298 186 F C 0.859 176.383 175.800 -0.461 0.000 1.131 186 F CA 0.254 58.068 58.000 -0.309 0.000 1.457 186 F CB -0.059 38.663 39.000 -0.463 0.000 1.095 186 F HN -0.017 nan 8.300 nan 0.000 0.574 187 F N -0.654 119.303 119.950 0.011 0.000 2.639 187 F HA 0.442 4.969 4.527 -0.000 0.000 0.302 187 F C 1.694 177.500 175.800 0.011 0.000 1.097 187 F CA 0.150 58.131 58.000 -0.031 0.000 1.294 187 F CB 0.175 39.115 39.000 -0.100 0.000 1.027 187 F HN 0.023 nan 8.300 nan 0.000 0.550 188 G N 0.315 109.186 108.800 0.118 0.000 2.157 188 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.248 188 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.248 188 G C 0.663 175.606 174.900 0.072 0.000 0.979 188 G CA -0.227 44.923 45.100 0.083 0.000 0.650 188 G HN 0.724 nan 8.290 nan 0.000 0.529 189 G N -0.413 108.437 108.800 0.083 0.000 2.476 189 G HA2 0.477 4.437 3.960 -0.000 0.000 0.269 189 G HA3 0.477 4.437 3.960 -0.000 0.000 0.269 189 G C -0.637 174.256 174.900 -0.010 0.000 1.195 189 G CA 0.406 45.540 45.100 0.057 0.000 0.843 189 G HN 0.316 nan 8.290 nan 0.000 0.545 190 D N 1.385 121.779 120.400 -0.011 0.000 2.412 190 D HA 0.297 4.937 4.640 -0.000 0.000 0.224 190 D C -1.140 175.132 176.300 -0.047 0.000 1.093 190 D CA -2.449 51.524 54.000 -0.046 0.000 0.850 190 D CB 1.826 42.606 40.800 -0.034 0.000 1.046 190 D HN 0.058 nan 8.370 nan 0.000 0.507 191 P HA -0.114 nan 4.420 nan 0.000 0.231 191 P C 0.640 177.908 177.300 -0.053 0.000 1.158 191 P CA 0.709 63.748 63.100 -0.101 0.000 0.763 191 P CB 0.375 31.910 31.700 -0.275 0.000 0.805 192 K N -0.801 119.567 120.400 -0.055 0.000 2.400 192 K HA 0.079 4.399 4.320 -0.000 0.000 0.194 192 K C 0.294 176.886 176.600 -0.013 0.000 1.033 192 K CA 0.749 57.019 56.287 -0.029 0.000 1.021 192 K CB 0.159 32.633 32.500 -0.044 0.000 0.808 192 K HN 0.076 nan 8.250 nan 0.000 0.505 193 T N 1.178 115.728 114.554 -0.007 0.000 3.532 193 T HA 0.139 4.489 4.350 -0.000 0.000 0.241 193 T C -0.669 174.049 174.700 0.029 0.000 1.238 193 T CA -0.334 61.763 62.100 -0.005 0.000 1.405 193 T CB 0.648 69.500 68.868 -0.027 0.000 0.971 193 T HN -0.099 nan 8.240 nan 0.000 0.640 194 V N 1.383 121.343 119.914 0.076 0.000 2.472 194 V HA 0.705 4.825 4.120 -0.000 0.000 0.290 194 V C -0.452 175.747 176.094 0.174 0.000 1.037 194 V CA 0.035 62.410 62.300 0.124 0.000 0.908 194 V CB 1.621 33.532 31.823 0.148 0.000 0.985 194 V HN 0.472 nan 8.190 nan 0.000 0.454 195 T N 8.312 122.958 114.554 0.153 0.000 2.797 195 T HA 0.572 4.922 4.350 -0.000 0.000 0.279 195 T C -0.198 174.627 174.700 0.208 0.000 0.991 195 T CA -0.141 62.066 62.100 0.178 0.000 0.979 195 T CB 0.913 69.842 68.868 0.101 0.000 0.943 195 T HN 0.830 nan 8.240 nan 0.000 0.444 196 I N 1.719 122.377 120.570 0.146 0.000 2.359 196 I HA 0.849 5.019 4.170 -0.000 0.000 0.294 196 I C -0.824 175.446 176.117 0.255 0.000 0.987 196 I CA -0.986 60.374 61.300 0.100 0.000 1.225 196 I CB 0.766 38.598 38.000 -0.279 0.000 1.366 196 I HN 0.480 nan 8.210 nan 0.000 0.466 197 F N 3.461 123.429 119.950 0.030 0.000 2.601 197 F HA 1.024 5.551 4.527 -0.000 0.000 0.309 197 F C -0.310 175.446 175.800 -0.073 0.000 1.089 197 F CA -1.199 56.849 58.000 0.081 0.000 0.940 197 F CB 1.372 40.528 39.000 0.260 0.000 1.273 197 F HN 0.828 nan 8.300 nan 0.000 0.450 198 G N 1.055 109.714 108.800 -0.236 0.000 2.600 198 G HA2 0.503 4.463 3.960 -0.000 0.000 0.293 198 G HA3 0.503 4.463 3.960 -0.000 0.000 0.293 198 G C -2.450 172.277 174.900 -0.288 0.000 1.408 198 G CA -0.803 43.792 45.100 -0.841 0.000 0.782 198 G HN 0.867 nan 8.290 nan 0.000 0.482 199 E N 0.023 120.036 120.200 -0.312 0.000 2.248 199 E HA 0.604 4.954 4.350 -0.000 0.000 0.267 199 E C 0.500 177.066 176.600 -0.055 0.000 0.877 199 E CA 0.286 56.694 56.400 0.013 0.000 0.759 199 E CB 2.101 31.952 29.700 0.251 0.000 1.182 199 E HN 0.886 nan 8.360 nan 0.000 0.418 200 S N 2.867 118.583 115.700 0.026 0.000 4.116 200 S HA -0.386 4.084 4.470 -0.000 0.000 0.623 200 S C 1.468 176.158 174.600 0.150 0.000 1.933 200 S CA 2.026 60.306 58.200 0.134 0.000 4.224 200 S CB -1.661 61.579 63.200 0.067 0.000 0.208 200 S HN 1.021 nan 8.310 nan 0.000 0.527 201 A N 1.236 124.027 122.820 -0.048 0.000 2.024 201 A HA 0.118 4.438 4.320 -0.000 0.000 0.220 201 A C 2.432 179.777 177.584 -0.398 0.000 1.164 201 A CA 2.579 54.373 52.037 -0.406 0.000 0.643 201 A CB -1.577 16.788 19.000 -1.058 0.000 0.806 201 A HN 1.567 nan 8.150 nan 0.000 0.451 202 G N -0.459 108.176 108.800 -0.276 0.000 2.414 202 G HA2 0.036 3.996 3.960 -0.000 0.000 0.215 202 G HA3 0.036 3.996 3.960 -0.000 0.000 0.215 202 G C 1.562 176.306 174.900 -0.260 0.000 1.188 202 G CA 1.157 46.047 45.100 -0.349 0.000 0.783 202 G HN 0.678 nan 8.290 nan 0.000 0.537 203 G N 1.154 109.861 108.800 -0.155 0.000 2.440 203 G HA2 0.014 3.974 3.960 -0.000 0.000 0.218 203 G HA3 0.014 3.974 3.960 -0.000 0.000 0.218 203 G C 2.074 176.893 174.900 -0.134 0.000 1.154 203 G CA 1.663 46.703 45.100 -0.100 0.000 0.767 203 G HN 0.667 nan 8.290 nan 0.000 0.552 204 A N 0.846 123.612 122.820 -0.089 0.000 1.883 204 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 204 A C 2.720 180.256 177.584 -0.079 0.000 1.186 204 A CA 2.372 54.337 52.037 -0.120 0.000 0.624 204 A CB -0.805 18.164 19.000 -0.052 0.000 0.822 204 A HN 0.324 nan 8.150 nan 0.000 0.444 205 S N -0.483 115.196 115.700 -0.034 0.000 2.359 205 S HA -0.180 4.290 4.470 -0.000 0.000 0.223 205 S C 1.914 176.453 174.600 -0.103 0.000 1.039 205 S CA 1.541 59.699 58.200 -0.070 0.000 1.042 205 S CB -0.677 62.442 63.200 -0.135 0.000 0.915 205 S HN 0.348 nan 8.310 nan 0.000 0.439 206 V N 1.588 121.451 119.914 -0.085 0.000 2.282 206 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 206 V C 2.614 178.663 176.094 -0.075 0.000 1.057 206 V CA 2.117 64.368 62.300 -0.080 0.000 1.032 206 V CB -1.483 30.269 31.823 -0.118 0.000 0.645 206 V HN 0.622 nan 8.190 nan 0.000 0.447 207 G N -1.331 107.370 108.800 -0.164 0.000 2.432 207 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 207 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 207 G C 1.588 176.470 174.900 -0.031 0.000 1.135 207 G CA 0.977 45.943 45.100 -0.223 0.000 0.767 207 G HN 0.460 nan 8.290 nan 0.000 0.550 208 M N -0.273 119.317 119.600 -0.017 0.000 2.254 208 M HA 0.036 4.516 4.480 -0.000 0.000 0.265 208 M C 2.271 178.657 176.300 0.145 0.000 1.066 208 M CA 0.820 56.222 55.300 0.170 0.000 1.123 208 M CB -0.194 32.514 32.600 0.182 0.000 1.388 208 M HN 0.194 nan 8.290 nan 0.000 0.425 209 H N -0.228 118.955 119.070 0.188 0.000 2.428 209 H HA 0.028 4.584 4.556 -0.000 0.000 0.296 209 H C 2.132 177.665 175.328 0.341 0.000 1.062 209 H CA 1.261 57.415 56.048 0.177 0.000 1.350 209 H CB -0.237 29.511 29.762 -0.024 0.000 1.403 209 H HN 0.391 nan 8.280 nan 0.000 0.533 210 I N 0.527 121.368 120.570 0.452 0.000 2.226 210 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 210 I C 2.297 178.661 176.117 0.411 0.000 1.100 210 I CA 1.022 62.638 61.300 0.526 0.000 1.374 210 I CB -0.080 38.175 38.000 0.425 0.000 1.057 210 I HN 0.115 nan 8.210 nan 0.000 0.413 211 L N -0.630 120.797 121.223 0.340 0.000 2.095 211 L HA -0.062 4.278 4.340 -0.000 0.000 0.204 211 L C 1.522 178.509 176.870 0.194 0.000 1.080 211 L CA 0.323 55.359 54.840 0.327 0.000 0.759 211 L CB -0.261 42.017 42.059 0.366 0.000 0.914 211 L HN 0.110 nan 8.230 nan 0.000 0.439 212 S N 0.027 115.761 115.700 0.057 0.000 2.488 212 S HA 0.107 4.577 4.470 -0.000 0.000 0.278 212 S C -1.523 172.961 174.600 -0.194 0.000 1.259 212 S CA -1.373 56.667 58.200 -0.266 0.000 1.061 212 S CB 0.916 63.527 63.200 -0.981 0.000 0.910 212 S HN -0.082 nan 8.310 nan 0.000 0.491 213 P HA -0.034 nan 4.420 nan 0.000 0.216 213 P C 1.432 178.649 177.300 -0.139 0.000 1.150 213 P CA 1.177 64.209 63.100 -0.113 0.000 0.843 213 P CB -0.145 31.496 31.700 -0.098 0.000 0.787 214 G N -1.365 107.300 108.800 -0.225 0.000 2.598 214 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.215 214 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.215 214 G C 1.356 176.181 174.900 -0.125 0.000 1.131 214 G CA 0.543 45.531 45.100 -0.186 0.000 0.785 214 G HN 0.237 nan 8.290 nan 0.000 0.539 215 S N -0.499 115.151 115.700 -0.083 0.000 2.506 215 S HA 0.125 4.595 4.470 -0.000 0.000 0.219 215 S C 2.181 176.888 174.600 0.177 0.000 1.031 215 S CA -0.430 57.833 58.200 0.105 0.000 0.911 215 S CB 0.189 63.586 63.200 0.329 0.000 0.812 215 S HN 0.328 nan 8.310 nan 0.000 0.497 216 R N 1.839 122.373 120.500 0.058 0.000 2.117 216 R HA -0.099 4.241 4.340 -0.000 0.000 0.243 216 R C 0.669 176.782 176.300 -0.312 0.000 1.143 216 R CA 1.495 57.535 56.100 -0.100 0.000 0.968 216 R CB -0.343 29.913 30.300 -0.073 0.000 0.863 216 R HN 0.293 nan 8.270 nan 0.000 0.444 217 D N 0.206 120.504 120.400 -0.170 0.000 2.349 217 D HA 0.015 4.655 4.640 -0.000 0.000 0.224 217 D C 1.244 177.463 176.300 -0.134 0.000 1.029 217 D CA 0.553 54.451 54.000 -0.170 0.000 0.879 217 D CB 0.279 41.000 40.800 -0.131 0.000 0.906 217 D HN 0.240 nan 8.370 nan 0.000 0.528 218 L N -0.235 120.956 121.223 -0.054 0.000 2.607 218 L HA 0.173 4.513 4.340 -0.000 0.000 0.228 218 L C -0.083 176.956 176.870 0.281 0.000 1.123 218 L CA -0.013 54.883 54.840 0.093 0.000 0.890 218 L CB -0.039 42.088 42.059 0.113 0.000 1.103 218 L HN -0.086 nan 8.230 nan 0.000 0.468 219 F N -4.329 115.642 119.950 0.035 0.000 2.686 219 F HA 0.543 5.070 4.527 -0.000 0.000 0.311 219 F C 0.461 176.292 175.800 0.052 0.000 1.128 219 F CA -1.395 56.635 58.000 0.050 0.000 0.946 219 F CB 1.148 40.176 39.000 0.047 0.000 1.336 219 F HN -0.390 nan 8.300 nan 0.000 0.457 220 R N 0.591 121.166 120.500 0.126 0.000 2.112 220 R HA 0.461 4.801 4.340 -0.000 0.000 0.216 220 R C -0.029 176.325 176.300 0.090 0.000 1.080 220 R CA 1.045 57.154 56.100 0.015 0.000 0.996 220 R CB 0.304 30.614 30.300 0.017 0.000 0.902 220 R HN 0.777 nan 8.270 nan 0.000 0.449 221 R N -2.091 118.608 120.500 0.332 0.000 2.733 221 R HA 0.661 5.001 4.340 -0.000 0.000 0.272 221 R C -1.822 174.749 176.300 0.453 0.000 1.029 221 R CA -0.516 55.775 56.100 0.318 0.000 0.888 221 R CB 2.063 32.398 30.300 0.057 0.000 1.251 221 R HN 0.118 nan 8.270 nan 0.000 0.464 222 A N 1.441 124.516 122.820 0.425 0.000 2.520 222 A HA 0.688 5.008 4.320 -0.000 0.000 0.298 222 A C -1.318 176.360 177.584 0.156 0.000 1.051 222 A CA -0.585 51.608 52.037 0.260 0.000 0.690 222 A CB 1.261 20.384 19.000 0.205 0.000 1.281 222 A HN 0.529 nan 8.150 nan 0.000 0.402 223 I N 2.308 122.921 120.570 0.071 0.000 2.410 223 I HA 0.340 4.510 4.170 -0.000 0.000 0.286 223 I C -1.346 174.801 176.117 0.049 0.000 1.009 223 I CA -0.583 60.674 61.300 -0.071 0.000 1.111 223 I CB 1.712 39.600 38.000 -0.188 0.000 1.262 223 I HN 0.432 nan 8.210 nan 0.000 0.443 224 L N 6.983 128.212 121.223 0.009 0.000 2.265 224 L HA 0.421 4.761 4.340 -0.000 0.000 0.289 224 L C -0.233 176.711 176.870 0.123 0.000 1.033 224 L CA -0.173 54.682 54.840 0.026 0.000 0.814 224 L CB 1.074 43.089 42.059 -0.074 0.000 1.203 224 L HN 0.506 nan 8.230 nan 0.000 0.423 225 Q N 1.894 121.814 119.800 0.199 0.000 2.325 225 Q HA 0.449 4.789 4.340 -0.000 0.000 0.262 225 Q C 0.085 176.196 176.000 0.184 0.000 0.968 225 Q CA -0.660 55.327 55.803 0.306 0.000 0.877 225 Q CB 1.487 30.514 28.738 0.482 0.000 1.253 225 Q HN 0.612 nan 8.270 nan 0.000 0.448 226 S N 1.131 116.928 115.700 0.161 0.000 3.477 226 S HA -0.160 4.310 4.470 -0.000 0.000 0.371 226 S C 0.032 174.756 174.600 0.207 0.000 0.965 226 S CA 0.613 58.910 58.200 0.161 0.000 1.239 226 S CB -1.162 62.123 63.200 0.140 0.000 0.918 226 S HN 0.982 nan 8.310 nan 0.000 0.498 227 G N -0.285 108.594 108.800 0.131 0.000 2.633 227 G HA2 0.565 4.525 3.960 -0.000 0.000 0.299 227 G HA3 0.565 4.525 3.960 -0.000 0.000 0.299 227 G C -0.949 173.902 174.900 -0.081 0.000 1.501 227 G CA 0.062 45.249 45.100 0.145 0.000 0.887 227 G HN 1.030 nan 8.290 nan 0.000 0.561 228 S N 1.674 117.250 115.700 -0.207 0.000 2.607 228 S HA 0.815 5.284 4.470 -0.000 0.000 0.273 228 S C -2.107 172.212 174.600 -0.468 0.000 1.148 228 S CA -1.290 56.648 58.200 -0.437 0.000 0.833 228 S CB 2.941 65.864 63.200 -0.461 0.000 1.130 228 S HN 0.342 nan 8.310 nan 0.000 0.470 229 P HA -0.157 nan 4.420 nan 0.000 0.216 229 P C 0.764 177.825 177.300 -0.397 0.000 1.150 229 P CA 1.545 64.413 63.100 -0.387 0.000 0.843 229 P CB -0.362 31.157 31.700 -0.301 0.000 0.787 230 N N -0.962 117.535 118.700 -0.338 0.000 2.383 230 N HA -0.031 4.709 4.740 -0.000 0.000 0.192 230 N C -0.018 175.253 175.510 -0.399 0.000 1.141 230 N CA -0.107 52.770 53.050 -0.288 0.000 0.851 230 N CB -1.309 37.122 38.487 -0.093 0.000 0.976 230 N HN 0.029 nan 8.380 nan 0.000 0.465 231 C N 3.053 122.014 119.300 -0.566 0.000 2.563 231 C HA 0.046 4.506 4.460 -0.000 0.000 0.411 231 C C -0.226 174.266 174.990 -0.831 0.000 1.386 231 C CA -0.860 57.676 59.018 -0.804 0.000 1.703 231 C CB 0.801 27.749 27.740 -1.319 0.000 2.596 231 C HN 0.379 nan 8.230 nan 0.000 0.605 232 P HA -0.113 nan 4.420 nan 0.000 0.221 232 P C 1.081 178.169 177.300 -0.353 0.000 1.145 232 P CA 1.784 64.595 63.100 -0.480 0.000 0.795 232 P CB -0.071 31.347 31.700 -0.469 0.000 0.775 233 W N -1.857 119.314 121.300 -0.215 0.000 3.220 233 W HA 0.611 5.271 4.660 -0.000 0.000 0.328 233 W C 0.916 177.488 176.519 0.089 0.000 1.205 233 W CA 0.292 57.593 57.345 -0.073 0.000 1.773 233 W CB -0.832 28.613 29.460 -0.025 0.000 1.086 233 W HN -0.126 nan 8.180 nan 0.000 0.622 234 A N 1.364 123.847 122.820 -0.562 0.000 2.275 234 A HA 0.272 4.592 4.320 -0.000 0.000 0.212 234 A C 0.854 178.227 177.584 -0.352 0.000 1.201 234 A CA 0.921 52.732 52.037 -0.377 0.000 0.843 234 A CB -0.473 18.059 19.000 -0.780 0.000 0.873 234 A HN 0.192 nan 8.150 nan 0.000 0.492 235 S N -1.385 114.120 115.700 -0.325 0.000 2.567 235 S HA 0.611 5.080 4.470 -0.000 0.000 0.270 235 S C -0.939 173.515 174.600 -0.242 0.000 1.152 235 S CA -0.054 57.947 58.200 -0.332 0.000 0.835 235 S CB 1.212 64.150 63.200 -0.436 0.000 1.115 235 S HN 1.273 nan 8.310 nan 0.000 0.459 236 V N -0.351 119.441 119.914 -0.203 0.000 3.078 236 V HA 0.928 5.048 4.120 -0.000 0.000 0.311 236 V C 0.431 176.442 176.094 -0.138 0.000 1.138 236 V CA -0.415 61.792 62.300 -0.154 0.000 1.007 236 V CB 1.057 32.804 31.823 -0.126 0.000 1.045 236 V HN 1.543 nan 8.190 nan 0.000 0.432 237 S N 1.218 116.849 115.700 -0.115 0.000 2.587 237 S HA 0.211 4.681 4.470 -0.000 0.000 0.260 237 S C 1.341 175.894 174.600 -0.079 0.000 1.353 237 S CA 0.140 58.283 58.200 -0.096 0.000 0.995 237 S CB 1.115 64.271 63.200 -0.074 0.000 0.912 237 S HN 2.009 nan 8.310 nan 0.000 0.568 238 V N -0.841 119.026 119.914 -0.078 0.000 2.358 238 V HA 0.013 4.133 4.120 -0.000 0.000 0.246 238 V C 2.828 178.919 176.094 -0.006 0.000 1.047 238 V CA 1.592 63.860 62.300 -0.053 0.000 1.035 238 V CB -2.236 29.537 31.823 -0.083 0.000 0.658 238 V HN 1.037 nan 8.190 nan 0.000 0.452 239 A N 0.834 123.647 122.820 -0.012 0.000 1.892 239 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 239 A C 2.238 179.804 177.584 -0.029 0.000 1.188 239 A CA 2.564 54.595 52.037 -0.011 0.000 0.631 239 A CB -0.678 18.312 19.000 -0.015 0.000 0.822 239 A HN 0.673 nan 8.150 nan 0.000 0.447 240 E N -0.309 119.861 120.200 -0.049 0.000 2.170 240 E HA 0.076 4.426 4.350 -0.000 0.000 0.191 240 E C 1.940 178.495 176.600 -0.075 0.000 0.981 240 E CA 1.281 57.637 56.400 -0.073 0.000 0.830 240 E CB -0.766 28.881 29.700 -0.088 0.000 0.775 240 E HN 0.364 nan 8.360 nan 0.000 0.470 241 G N 1.007 109.777 108.800 -0.050 0.000 2.421 241 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.216 241 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.216 241 G C 1.751 176.657 174.900 0.010 0.000 1.171 241 G CA 0.851 45.941 45.100 -0.018 0.000 0.775 241 G HN 0.345 nan 8.290 nan 0.000 0.543 242 R N 0.268 120.774 120.500 0.011 0.000 2.083 242 R HA -0.037 4.303 4.340 -0.000 0.000 0.237 242 R C 2.544 178.841 176.300 -0.005 0.000 1.137 242 R CA 1.523 57.631 56.100 0.012 0.000 0.951 242 R CB -0.432 29.881 30.300 0.022 0.000 0.851 242 R HN 0.282 nan 8.270 nan 0.000 0.434 243 R N 0.581 121.067 120.500 -0.025 0.000 2.094 243 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 243 R C 2.277 178.549 176.300 -0.048 0.000 1.137 243 R CA 2.181 58.256 56.100 -0.042 0.000 0.943 243 R CB -0.184 30.078 30.300 -0.063 0.000 0.850 243 R HN 0.345 nan 8.270 nan 0.000 0.433 244 R N -0.296 120.160 120.500 -0.073 0.000 2.092 244 R HA -0.061 4.278 4.340 -0.000 0.000 0.231 244 R C 2.365 178.699 176.300 0.057 0.000 1.119 244 R CA 1.196 57.233 56.100 -0.105 0.000 0.970 244 R CB -0.352 29.765 30.300 -0.305 0.000 0.864 244 R HN 0.259 nan 8.270 nan 0.000 0.440 245 A N 0.969 123.859 122.820 0.117 0.000 1.877 245 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 245 A C 2.389 179.988 177.584 0.025 0.000 1.186 245 A CA 1.517 53.621 52.037 0.111 0.000 0.620 245 A CB -0.594 18.420 19.000 0.025 0.000 0.822 245 A HN 0.111 nan 8.150 nan 0.000 0.443 246 V N -0.082 119.835 119.914 0.005 0.000 2.343 246 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 246 V C 2.532 178.627 176.094 0.002 0.000 1.051 246 V CA 2.345 64.642 62.300 -0.006 0.000 1.036 246 V CB -0.728 31.089 31.823 -0.010 0.000 0.654 246 V HN 0.700 nan 8.190 nan 0.000 0.451 247 E N 0.127 120.329 120.200 0.003 0.000 2.204 247 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 247 E C 1.867 178.484 176.600 0.029 0.000 0.989 247 E CA 0.773 57.174 56.400 0.002 0.000 0.824 247 E CB -0.275 29.410 29.700 -0.025 0.000 0.756 247 E HN 0.459 nan 8.360 nan 0.000 0.477 248 L N -0.340 120.923 121.223 0.066 0.000 2.046 248 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 248 L C 2.116 179.006 176.870 0.033 0.000 1.077 248 L CA 2.308 57.201 54.840 0.088 0.000 0.747 248 L CB -1.049 41.102 42.059 0.153 0.000 0.896 248 L HN 0.218 nan 8.230 nan 0.000 0.432 249 G N -0.740 108.066 108.800 0.010 0.000 2.459 249 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.217 249 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.217 249 G C 1.788 176.696 174.900 0.013 0.000 1.183 249 G CA 0.879 45.981 45.100 0.003 0.000 0.776 249 G HN 0.426 nan 8.290 nan 0.000 0.552 250 R N 0.427 120.935 120.500 0.013 0.000 2.096 250 R HA -0.125 4.215 4.340 -0.000 0.000 0.240 250 R C 2.391 178.703 176.300 0.020 0.000 1.139 250 R CA 1.680 57.788 56.100 0.013 0.000 0.952 250 R CB -0.443 29.862 30.300 0.008 0.000 0.854 250 R HN 0.346 nan 8.270 nan 0.000 0.436 251 N N 0.491 119.207 118.700 0.026 0.000 2.104 251 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 251 N C 1.573 177.105 175.510 0.036 0.000 1.024 251 N CA 1.309 54.380 53.050 0.035 0.000 0.853 251 N CB -0.072 38.444 38.487 0.047 0.000 1.008 251 N HN 0.313 nan 8.380 nan 0.000 0.424 252 L N 0.747 121.990 121.223 0.032 0.000 2.612 252 L HA 0.097 4.437 4.340 -0.000 0.000 0.230 252 L C -0.263 176.622 176.870 0.026 0.000 1.140 252 L CA -0.057 54.802 54.840 0.031 0.000 0.896 252 L CB -0.333 41.742 42.059 0.027 0.000 1.065 252 L HN 0.096 nan 8.230 nan 0.000 0.447 253 N N 0.006 118.720 118.700 0.024 0.000 2.663 253 N HA -0.159 4.581 4.740 -0.000 0.000 0.263 253 N C -0.854 174.669 175.510 0.022 0.000 1.109 253 N CA 0.436 53.499 53.050 0.022 0.000 0.701 253 N CB -1.473 37.028 38.487 0.023 0.000 0.879 253 N HN 0.201 nan 8.380 nan 0.000 0.550 254 c N 1.025 119.637 118.600 0.020 0.000 2.493 254 c HA 0.376 4.946 4.570 -0.000 0.000 0.326 254 c C 1.013 175.117 174.090 0.023 0.000 1.200 254 c CA -1.095 55.248 56.329 0.023 0.000 1.739 254 c CB 1.539 44.060 42.510 0.017 0.000 2.300 254 c HN 0.542 nan 8.230 nan 0.000 0.500 255 N N 1.947 120.666 118.700 0.032 0.000 2.417 255 N HA 0.057 4.797 4.740 -0.000 0.000 0.272 255 N C 0.330 175.853 175.510 0.022 0.000 1.304 255 N CA 0.323 53.391 53.050 0.030 0.000 0.906 255 N CB 0.225 38.737 38.487 0.041 0.000 1.135 255 N HN 0.618 nan 8.380 nan 0.000 0.483 256 L N 2.073 123.305 121.223 0.015 0.000 2.640 256 L HA 0.113 4.453 4.340 -0.000 0.000 0.230 256 L C 2.191 179.065 176.870 0.006 0.000 1.123 256 L CA 0.255 55.100 54.840 0.008 0.000 0.900 256 L CB -0.939 41.123 42.059 0.005 0.000 1.146 256 L HN 0.619 nan 8.230 nan 0.000 0.484 257 N N 0.773 119.478 118.700 0.008 0.000 2.348 257 N HA -0.129 4.611 4.740 -0.000 0.000 0.185 257 N C 0.935 176.446 175.510 0.003 0.000 1.019 257 N CA 1.319 54.372 53.050 0.005 0.000 0.880 257 N CB 0.014 38.505 38.487 0.006 0.000 0.965 257 N HN 0.477 nan 8.380 nan 0.000 0.437 258 S N -2.641 113.062 115.700 0.004 0.000 2.543 258 S HA 0.369 4.839 4.470 -0.000 0.000 0.274 258 S C -0.724 173.878 174.600 0.003 0.000 1.149 258 S CA -0.201 58.000 58.200 0.002 0.000 0.866 258 S CB 1.244 64.445 63.200 0.000 0.000 1.111 258 S HN 0.066 nan 8.310 nan 0.000 0.457 259 D N 1.799 122.197 120.400 -0.003 0.000 2.149 259 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 259 D C 1.498 177.803 176.300 0.008 0.000 1.001 259 D CA 2.229 56.225 54.000 -0.007 0.000 0.849 259 D CB -0.144 40.649 40.800 -0.012 0.000 0.939 259 D HN 0.753 nan 8.370 nan 0.000 0.449 260 E N 0.921 121.131 120.200 0.016 0.000 2.047 260 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 260 E C 2.099 178.738 176.600 0.066 0.000 0.987 260 E CA 0.996 57.415 56.400 0.033 0.000 0.799 260 E CB -0.306 29.401 29.700 0.012 0.000 0.752 260 E HN 0.497 nan 8.360 nan 0.000 0.449 261 E N 0.623 120.854 120.200 0.051 0.000 2.072 261 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 261 E C 2.151 178.811 176.600 0.099 0.000 0.985 261 E CA 0.723 57.175 56.400 0.086 0.000 0.801 261 E CB -0.327 29.404 29.700 0.051 0.000 0.750 261 E HN 0.135 nan 8.360 nan 0.000 0.452 262 L N 1.734 122.987 121.223 0.049 0.000 1.989 262 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 262 L C 2.249 179.133 176.870 0.022 0.000 1.071 262 L CA 1.589 56.442 54.840 0.022 0.000 0.749 262 L CB -0.519 41.534 42.059 -0.010 0.000 0.890 262 L HN 0.056 nan 8.230 nan 0.000 0.431 263 I N -1.187 119.403 120.570 0.034 0.000 2.202 263 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 263 I C 2.613 178.815 176.117 0.142 0.000 1.091 263 I CA 1.465 62.802 61.300 0.061 0.000 1.368 263 I CB -0.640 37.399 38.000 0.065 0.000 1.058 263 I HN 0.470 nan 8.210 nan 0.000 0.410 264 H N 0.430 119.535 119.070 0.058 0.000 2.319 264 H HA -0.291 4.265 4.556 -0.000 0.000 0.299 264 H C 2.485 177.848 175.328 0.059 0.000 1.092 264 H CA 2.346 58.429 56.048 0.057 0.000 1.302 264 H CB -0.150 29.634 29.762 0.036 0.000 1.373 264 H HN 0.521 nan 8.280 nan 0.000 0.497 265 c N 0.923 119.523 118.600 -0.001 0.000 2.413 265 c HA -0.126 4.444 4.570 -0.000 0.000 0.276 265 c C 3.061 177.134 174.090 -0.029 0.000 1.236 265 c CA 1.030 57.335 56.329 -0.040 0.000 1.735 265 c CB -1.416 41.111 42.510 0.029 0.000 2.031 265 c HN 0.581 nan 8.230 nan 0.000 0.474 266 L N 0.212 121.458 121.223 0.038 0.000 2.131 266 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 266 L C 2.930 179.887 176.870 0.146 0.000 1.092 266 L CA 1.450 56.356 54.840 0.111 0.000 0.759 266 L CB -0.654 41.490 42.059 0.142 0.000 0.903 266 L HN 0.346 nan 8.230 nan 0.000 0.435 267 R N -0.288 120.275 120.500 0.104 0.000 2.280 267 R HA -0.070 4.270 4.340 -0.000 0.000 0.207 267 R C 1.544 177.802 176.300 -0.070 0.000 1.043 267 R CA 0.518 56.618 56.100 -0.000 0.000 1.006 267 R CB 0.046 30.349 30.300 0.004 0.000 0.885 267 R HN 0.412 nan 8.270 nan 0.000 0.467 268 E N 0.341 120.483 120.200 -0.097 0.000 2.452 268 E HA 0.033 4.383 4.350 -0.000 0.000 0.197 268 E C -0.082 176.496 176.600 -0.036 0.000 1.022 268 E CA 0.239 56.581 56.400 -0.097 0.000 0.890 268 E CB 0.478 30.084 29.700 -0.158 0.000 0.918 268 E HN 0.098 nan 8.360 nan 0.000 0.496 269 K N 2.051 122.446 120.400 -0.009 0.000 2.270 269 K HA 0.185 4.505 4.320 -0.000 0.000 0.276 269 K C 0.358 176.982 176.600 0.039 0.000 1.023 269 K CA -0.077 56.222 56.287 0.020 0.000 0.955 269 K CB 1.021 33.541 32.500 0.033 0.000 0.975 269 K HN -0.063 nan 8.250 nan 0.000 0.471 270 K N 2.671 123.099 120.400 0.047 0.000 2.414 270 K HA -0.015 4.305 4.320 -0.000 0.000 0.272 270 K C -1.639 175.036 176.600 0.124 0.000 0.993 270 K CA -1.319 55.006 56.287 0.064 0.000 0.964 270 K CB -0.023 32.506 32.500 0.049 0.000 0.925 270 K HN 0.209 nan 8.250 nan 0.000 0.487 271 P HA -0.217 nan 4.420 nan 0.000 0.214 271 P C 1.215 178.701 177.300 0.311 0.000 1.163 271 P CA 1.208 64.510 63.100 0.337 0.000 0.889 271 P CB 0.219 31.966 31.700 0.079 0.000 0.790 272 Q N 0.058 119.961 119.800 0.173 0.000 2.234 272 Q HA -0.200 4.140 4.340 -0.000 0.000 0.206 272 Q C 1.937 178.028 176.000 0.153 0.000 0.980 272 Q CA 1.650 57.546 55.803 0.154 0.000 0.869 272 Q CB -0.840 27.956 28.738 0.098 0.000 0.912 272 Q HN 0.360 nan 8.270 nan 0.000 0.436 273 E N -1.288 118.990 120.200 0.130 0.000 2.107 273 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 273 E C 1.548 178.211 176.600 0.104 0.000 0.982 273 E CA 0.602 57.064 56.400 0.104 0.000 0.809 273 E CB 0.047 29.794 29.700 0.077 0.000 0.756 273 E HN 0.186 nan 8.360 nan 0.000 0.459 274 L N 0.459 121.745 121.223 0.105 0.000 2.017 274 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 274 L C 2.088 179.013 176.870 0.092 0.000 1.073 274 L CA 1.547 56.407 54.840 0.034 0.000 0.745 274 L CB -0.438 41.542 42.059 -0.131 0.000 0.894 274 L HN 0.175 nan 8.230 nan 0.000 0.432 275 I N -0.749 119.939 120.570 0.195 0.000 2.394 275 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 275 I C 1.828 178.105 176.117 0.267 0.000 1.136 275 I CA 0.808 62.265 61.300 0.262 0.000 1.425 275 I CB -0.342 37.861 38.000 0.339 0.000 1.079 275 I HN 0.206 nan 8.210 nan 0.000 0.425 276 D N 0.189 120.719 120.400 0.218 0.000 2.218 276 D HA -0.112 4.527 4.640 -0.000 0.000 0.204 276 D C 1.915 178.343 176.300 0.213 0.000 0.976 276 D CA 1.416 55.545 54.000 0.214 0.000 0.853 276 D CB 0.099 40.991 40.800 0.153 0.000 0.939 276 D HN 0.376 nan 8.370 nan 0.000 0.481 277 V N -2.811 117.209 119.914 0.176 0.000 3.477 277 V HA 0.215 4.335 4.120 -0.000 0.000 0.297 277 V C 1.732 177.910 176.094 0.141 0.000 1.433 277 V CA -0.099 62.292 62.300 0.151 0.000 1.052 277 V CB 0.386 32.273 31.823 0.107 0.000 0.895 277 V HN -0.079 nan 8.190 nan 0.000 0.438 278 E N 0.998 121.274 120.200 0.126 0.000 2.065 278 E HA -0.283 4.067 4.350 -0.000 0.000 0.201 278 E C 1.598 178.100 176.600 -0.164 0.000 1.016 278 E CA 2.831 59.238 56.400 0.011 0.000 0.818 278 E CB -0.258 29.360 29.700 -0.137 0.000 0.749 278 E HN 0.797 nan 8.360 nan 0.000 0.453 279 W N 0.903 122.217 121.300 0.023 0.000 2.525 279 W HA -0.046 4.614 4.660 -0.000 0.000 0.259 279 W C 1.758 178.247 176.519 -0.050 0.000 1.253 279 W CA 0.349 57.657 57.345 -0.061 0.000 1.262 279 W CB -0.159 29.239 29.460 -0.104 0.000 1.122 279 W HN 0.139 nan 8.180 nan 0.000 0.607 280 N N 0.126 118.906 118.700 0.134 0.000 2.512 280 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 280 N C 1.736 177.249 175.510 0.004 0.000 1.073 280 N CA 1.447 54.544 53.050 0.078 0.000 0.911 280 N CB -0.601 37.933 38.487 0.079 0.000 0.964 280 N HN 0.272 nan 8.380 nan 0.000 0.447 281 V N -2.145 117.737 119.914 -0.054 0.000 3.608 281 V HA 0.224 4.344 4.120 -0.000 0.000 0.269 281 V C 0.851 176.834 176.094 -0.185 0.000 1.245 281 V CA -0.046 62.178 62.300 -0.125 0.000 1.138 281 V CB -0.666 31.051 31.823 -0.176 0.000 0.841 281 V HN -0.015 nan 8.190 nan 0.000 0.451 282 L N 1.611 122.741 121.223 -0.155 0.000 2.483 282 L HA 0.194 4.534 4.340 -0.000 0.000 0.276 282 L C -0.620 176.113 176.870 -0.230 0.000 1.213 282 L CA -0.873 53.867 54.840 -0.167 0.000 0.843 282 L CB 0.408 42.432 42.059 -0.057 0.000 1.107 282 L HN 0.159 nan 8.230 nan 0.000 0.487 283 P HA 0.029 nan 4.420 nan 0.000 0.227 283 P C -0.577 176.192 177.300 -0.884 0.000 1.161 283 P CA 1.034 63.691 63.100 -0.739 0.000 0.788 283 P CB 0.268 31.314 31.700 -1.089 0.000 0.822 284 F N -1.459 118.486 119.950 -0.009 0.000 2.664 284 F HA 0.345 4.872 4.527 -0.000 0.000 0.317 284 F C 0.051 175.852 175.800 0.001 0.000 1.108 284 F CA -1.532 56.468 58.000 -0.001 0.000 0.957 284 F CB 0.254 39.257 39.000 0.004 0.000 1.365 284 F HN -0.437 nan 8.300 nan 0.000 0.475 285 D N 1.889 122.421 120.400 0.219 0.000 2.382 285 D HA 0.333 4.973 4.640 -0.000 0.000 0.259 285 D C -0.158 176.210 176.300 0.114 0.000 1.224 285 D CA 0.512 54.584 54.000 0.120 0.000 0.894 285 D CB 0.813 41.659 40.800 0.077 0.000 1.127 285 D HN 0.645 nan 8.370 nan 0.000 0.487 286 S N 1.585 117.335 115.700 0.083 0.000 2.671 286 S HA 0.763 5.233 4.470 -0.000 0.000 0.277 286 S C -0.710 173.900 174.600 0.017 0.000 1.165 286 S CA -0.907 57.331 58.200 0.063 0.000 0.822 286 S CB 1.689 64.953 63.200 0.107 0.000 1.150 286 S HN 0.277 nan 8.310 nan 0.000 0.479 287 I N 0.652 121.225 120.570 0.005 0.000 2.686 287 I HA 0.634 4.803 4.170 -0.000 0.000 0.295 287 I C -0.962 175.138 176.117 -0.029 0.000 1.114 287 I CA -0.499 60.801 61.300 -0.001 0.000 1.038 287 I CB 1.730 39.749 38.000 0.032 0.000 1.238 287 I HN 0.830 nan 8.210 nan 0.000 0.420 288 F N 4.906 124.643 119.950 -0.356 0.000 3.080 288 F HA -0.222 4.305 4.527 -0.000 0.000 0.292 288 F C -0.391 174.854 175.800 -0.925 0.000 0.891 288 F CA 0.462 57.983 58.000 -0.797 0.000 1.086 288 F CB -0.716 37.791 39.000 -0.822 0.000 1.095 288 F HN 0.388 nan 8.300 nan 0.000 0.633 289 R N 0.430 120.514 120.500 -0.694 0.000 2.686 289 R HA 0.699 5.039 4.340 -0.000 0.000 0.286 289 R C -1.049 174.858 176.300 -0.655 0.000 0.969 289 R CA -0.589 55.152 56.100 -0.599 0.000 0.898 289 R CB 1.413 31.629 30.300 -0.141 0.000 1.183 289 R HN -0.003 nan 8.270 nan 0.000 0.456 290 F N -0.713 119.307 119.950 0.115 0.000 2.547 290 F HA 0.343 4.870 4.527 -0.000 0.000 0.316 290 F C 1.421 177.114 175.800 -0.179 0.000 1.121 290 F CA -0.818 57.154 58.000 -0.048 0.000 0.911 290 F CB 1.939 41.023 39.000 0.141 0.000 1.179 290 F HN 0.350 nan 8.300 nan 0.000 0.443 291 S N 1.088 116.626 115.700 -0.270 0.000 2.348 291 S HA -0.053 4.417 4.470 -0.000 0.000 0.221 291 S C 0.198 174.397 174.600 -0.669 0.000 1.033 291 S CA 1.279 59.143 58.200 -0.561 0.000 1.010 291 S CB -0.219 62.512 63.200 -0.781 0.000 0.891 291 S HN 0.368 nan 8.310 nan 0.000 0.442 292 F N 1.843 121.793 119.950 -0.000 0.000 2.311 292 F HA 0.499 5.026 4.527 -0.000 0.000 0.371 292 F C 0.016 175.823 175.800 0.011 0.000 1.083 292 F CA -0.954 57.085 58.000 0.065 0.000 1.113 292 F CB 0.868 39.945 39.000 0.128 0.000 1.349 292 F HN -0.093 nan 8.300 nan 0.000 0.470 293 V N 0.622 120.506 119.914 -0.050 0.000 3.126 293 V HA 0.767 4.887 4.120 -0.000 0.000 0.314 293 V C -2.764 173.011 176.094 -0.532 0.000 1.138 293 V CA -3.395 58.583 62.300 -0.536 0.000 1.034 293 V CB 1.906 33.582 31.823 -0.244 0.000 1.075 293 V HN 0.213 nan 8.190 nan 0.000 0.442 294 P HA 0.146 nan 4.420 nan 0.000 0.266 294 P C -0.514 176.697 177.300 -0.148 0.000 1.180 294 P CA 0.379 63.293 63.100 -0.311 0.000 0.765 294 P CB 0.214 31.668 31.700 -0.411 0.000 0.806 295 V N 1.035 120.955 119.914 0.009 0.000 2.667 295 V HA 0.425 4.545 4.120 -0.000 0.000 0.308 295 V C 0.109 176.226 176.094 0.038 0.000 1.048 295 V CA -0.921 61.366 62.300 -0.022 0.000 0.928 295 V CB 1.712 33.531 31.823 -0.008 0.000 1.004 295 V HN 0.222 nan 8.190 nan 0.000 0.444 296 I N 4.462 124.985 120.570 -0.079 0.000 2.311 296 I HA 0.237 4.407 4.170 -0.000 0.000 0.297 296 I C 0.689 176.788 176.117 -0.030 0.000 1.131 296 I CA 0.116 61.397 61.300 -0.030 0.000 1.289 296 I CB 0.111 38.022 38.000 -0.148 0.000 1.446 296 I HN 0.977 nan 8.210 nan 0.000 0.524 297 D N 3.439 123.871 120.400 0.053 0.000 2.423 297 D HA 0.083 4.723 4.640 -0.000 0.000 0.208 297 D C 1.338 177.584 176.300 -0.089 0.000 1.068 297 D CA 0.713 54.618 54.000 -0.157 0.000 0.860 297 D CB 0.566 41.343 40.800 -0.038 0.000 0.992 297 D HN 0.645 nan 8.370 nan 0.000 0.504 298 G N 0.528 109.364 108.800 0.060 0.000 2.157 298 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.248 298 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.248 298 G C 0.674 175.632 174.900 0.095 0.000 0.979 298 G CA 0.664 45.815 45.100 0.084 0.000 0.650 298 G HN 0.484 nan 8.290 nan 0.000 0.529 299 E N -1.677 118.586 120.200 0.106 0.000 3.249 299 E HA 0.349 4.699 4.350 -0.000 0.000 0.184 299 E C 1.745 178.360 176.600 0.024 0.000 1.163 299 E CA -0.191 56.253 56.400 0.074 0.000 1.353 299 E CB -0.050 29.711 29.700 0.100 0.000 1.466 299 E HN 0.205 nan 8.360 nan 0.000 0.502 300 F N 1.372 121.234 119.950 -0.146 0.000 2.113 300 F HA 0.032 4.559 4.527 -0.000 0.000 0.297 300 F C 0.235 175.703 175.800 -0.555 0.000 1.103 300 F CA 1.053 58.827 58.000 -0.376 0.000 1.248 300 F CB 0.274 38.958 39.000 -0.526 0.000 0.999 300 F HN -0.159 nan 8.300 nan 0.000 0.475 301 F N 1.010 121.114 119.950 0.257 0.000 2.361 301 F HA 0.363 4.890 4.527 -0.000 0.000 0.364 301 F C -1.641 174.192 175.800 0.056 0.000 1.117 301 F CA -2.782 55.292 58.000 0.123 0.000 1.071 301 F CB 0.257 39.321 39.000 0.107 0.000 1.188 301 F HN -0.218 nan 8.300 nan 0.000 0.464 302 P HA -0.126 nan 4.420 nan 0.000 0.214 302 P C 0.546 177.904 177.300 0.098 0.000 1.163 302 P CA 1.878 65.035 63.100 0.095 0.000 0.889 302 P CB 0.090 31.823 31.700 0.057 0.000 0.790 303 T N -5.878 108.740 114.554 0.107 0.000 2.693 303 T HA 0.471 4.820 4.350 -0.000 0.000 0.278 303 T C -0.262 174.476 174.700 0.063 0.000 0.994 303 T CA -0.712 61.431 62.100 0.071 0.000 1.033 303 T CB 0.672 69.568 68.868 0.048 0.000 1.342 303 T HN 0.011 nan 8.240 nan 0.000 0.538 304 S N 0.284 115.996 115.700 0.021 0.000 2.558 304 S HA 0.074 4.544 4.470 -0.000 0.000 0.293 304 S C 1.516 176.112 174.600 -0.007 0.000 1.292 304 S CA -0.611 57.578 58.200 -0.019 0.000 1.063 304 S CB -0.496 62.693 63.200 -0.018 0.000 0.831 304 S HN 0.650 nan 8.310 nan 0.000 0.499 305 L N 0.850 122.030 121.223 -0.072 0.000 2.043 305 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 305 L C 2.917 179.813 176.870 0.043 0.000 1.075 305 L CA 2.015 56.831 54.840 -0.040 0.000 0.752 305 L CB -0.753 41.216 42.059 -0.150 0.000 0.891 305 L HN 0.788 nan 8.230 nan 0.000 0.432 306 E N 0.626 120.846 120.200 0.034 0.000 2.038 306 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 306 E C 2.301 178.959 176.600 0.097 0.000 1.000 306 E CA 1.894 58.349 56.400 0.092 0.000 0.803 306 E CB -0.195 29.547 29.700 0.071 0.000 0.750 306 E HN 0.490 nan 8.360 nan 0.000 0.448 307 S N -0.266 115.474 115.700 0.066 0.000 2.383 307 S HA -0.228 4.241 4.470 -0.000 0.000 0.229 307 S C 2.153 176.797 174.600 0.074 0.000 1.030 307 S CA 1.620 59.857 58.200 0.063 0.000 1.002 307 S CB -0.480 62.744 63.200 0.040 0.000 0.829 307 S HN 0.294 nan 8.310 nan 0.000 0.467 308 M N 1.065 120.722 119.600 0.095 0.000 2.086 308 M HA 0.000 4.480 4.480 -0.000 0.000 0.261 308 M C 2.354 178.783 176.300 0.216 0.000 1.067 308 M CA 1.502 56.880 55.300 0.132 0.000 1.116 308 M CB -0.801 31.905 32.600 0.178 0.000 1.348 308 M HN 0.289 nan 8.290 nan 0.000 0.407 309 L N 0.252 121.613 121.223 0.230 0.000 2.012 309 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 309 L C 2.250 179.284 176.870 0.274 0.000 1.073 309 L CA 1.127 56.129 54.840 0.271 0.000 0.748 309 L CB -0.950 41.193 42.059 0.140 0.000 0.891 309 L HN 0.376 nan 8.230 nan 0.000 0.431 310 N N -0.274 118.533 118.700 0.178 0.000 2.289 310 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 310 N C 1.927 177.533 175.510 0.159 0.000 1.016 310 N CA 1.673 54.828 53.050 0.176 0.000 0.872 310 N CB -0.198 38.364 38.487 0.124 0.000 0.973 310 N HN 0.405 nan 8.380 nan 0.000 0.433 311 S N -1.389 114.326 115.700 0.026 0.000 2.535 311 S HA 0.268 4.737 4.470 -0.000 0.000 0.214 311 S C 1.335 175.598 174.600 -0.561 0.000 0.980 311 S CA 0.427 58.557 58.200 -0.117 0.000 0.907 311 S CB 0.348 63.497 63.200 -0.085 0.000 0.790 311 S HN 0.357 nan 8.310 nan 0.000 0.510 312 G N 1.945 110.230 108.800 -0.859 0.000 2.147 312 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 312 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 312 G C -0.068 173.978 174.900 -1.423 0.000 1.005 312 G CA 0.051 43.923 45.100 -2.046 0.000 0.713 312 G HN 0.593 nan 8.290 nan 0.000 0.515 313 N N 0.627 118.955 118.700 -0.620 0.000 2.968 313 N HA 0.533 5.273 4.740 -0.000 0.000 0.271 313 N C -0.195 175.292 175.510 -0.038 0.000 1.174 313 N CA -0.221 52.651 53.050 -0.297 0.000 1.096 313 N CB -0.834 37.590 38.487 -0.105 0.000 1.403 313 N HN 0.727 nan 8.380 nan 0.000 0.522 314 F N -0.977 118.920 119.950 -0.089 0.000 2.770 314 F HA 0.384 4.910 4.527 -0.000 0.000 0.313 314 F C -0.422 175.395 175.800 0.029 0.000 1.154 314 F CA -1.433 56.586 58.000 0.032 0.000 0.923 314 F CB 0.632 39.719 39.000 0.145 0.000 1.301 314 F HN -0.123 nan 8.300 nan 0.000 0.449 315 K N 1.797 122.435 120.400 0.396 0.000 2.412 315 K HA 0.252 4.572 4.320 -0.000 0.000 0.281 315 K C -1.090 175.751 176.600 0.402 0.000 1.027 315 K CA -0.235 56.199 56.287 0.244 0.000 0.989 315 K CB 0.589 33.183 32.500 0.157 0.000 0.935 315 K HN 0.729 nan 8.250 nan 0.000 0.475 316 K N 2.732 123.244 120.400 0.186 0.000 2.281 316 K HA 0.203 4.523 4.320 -0.000 0.000 0.272 316 K C -0.450 176.273 176.600 0.205 0.000 1.048 316 K CA -0.282 56.125 56.287 0.199 0.000 0.898 316 K CB 1.877 34.395 32.500 0.030 0.000 1.128 316 K HN 0.634 nan 8.250 nan 0.000 0.460 317 T N 1.306 116.066 114.554 0.343 0.000 2.626 317 T HA 0.272 4.622 4.350 -0.000 0.000 0.299 317 T C -1.415 173.482 174.700 0.328 0.000 1.181 317 T CA -0.740 61.514 62.100 0.257 0.000 1.053 317 T CB 0.761 69.753 68.868 0.205 0.000 1.566 317 T HN 0.396 nan 8.240 nan 0.000 0.486 318 Q N 1.185 121.146 119.800 0.269 0.000 2.259 318 Q HA 0.714 5.054 4.340 -0.000 0.000 0.246 318 Q C -0.269 176.021 176.000 0.483 0.000 0.920 318 Q CA -0.373 55.651 55.803 0.368 0.000 0.895 318 Q CB 0.999 29.935 28.738 0.330 0.000 1.220 318 Q HN 0.644 nan 8.270 nan 0.000 0.439 319 I N -1.277 119.511 120.570 0.364 0.000 2.730 319 I HA 0.693 4.863 4.170 -0.000 0.000 0.298 319 I C -1.424 174.573 176.117 -0.201 0.000 1.089 319 I CA -1.384 59.985 61.300 0.115 0.000 1.041 319 I CB 1.770 39.683 38.000 -0.146 0.000 1.235 319 I HN 0.529 nan 8.210 nan 0.000 0.423 320 L N 7.008 127.857 121.223 -0.624 0.000 2.385 320 L HA 0.826 5.166 4.340 -0.000 0.000 0.273 320 L C -1.300 175.378 176.870 -0.320 0.000 0.990 320 L CA -0.595 53.828 54.840 -0.696 0.000 0.821 320 L CB 1.791 42.935 42.059 -1.525 0.000 1.279 320 L HN 0.865 nan 8.230 nan 0.000 0.412 321 L N 2.323 123.516 121.223 -0.049 0.000 2.775 321 L HA 1.069 5.409 4.340 -0.000 0.000 0.263 321 L C -0.947 175.777 176.870 -0.243 0.000 1.017 321 L CA -0.354 54.484 54.840 -0.004 0.000 0.891 321 L CB 1.752 43.779 42.059 -0.054 0.000 1.482 321 L HN 0.714 nan 8.230 nan 0.000 0.410 322 G N 0.071 108.495 108.800 -0.626 0.000 2.340 322 G HA2 0.614 4.574 3.960 -0.000 0.000 0.299 322 G HA3 0.614 4.574 3.960 -0.000 0.000 0.299 322 G C -1.519 173.051 174.900 -0.549 0.000 1.291 322 G CA 0.013 44.394 45.100 -1.199 0.000 0.841 322 G HN 1.604 nan 8.290 nan 0.000 0.500 323 V N -2.599 117.135 119.914 -0.301 0.000 3.181 323 V HA 0.852 4.972 4.120 -0.000 0.000 0.308 323 V C -1.028 175.147 176.094 0.135 0.000 1.214 323 V CA -1.427 60.902 62.300 0.048 0.000 1.053 323 V CB 1.821 33.707 31.823 0.106 0.000 1.069 323 V HN 0.695 nan 8.190 nan 0.000 0.441 324 N N 0.762 119.555 118.700 0.156 0.000 2.482 324 N HA 0.453 5.193 4.740 -0.000 0.000 0.279 324 N C 0.559 176.026 175.510 -0.071 0.000 1.182 324 N CA -0.397 52.718 53.050 0.108 0.000 0.969 324 N CB 1.664 40.307 38.487 0.260 0.000 1.201 324 N HN 0.961 nan 8.380 nan 0.000 0.523 325 K N -0.029 120.234 120.400 -0.227 0.000 2.097 325 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 325 K C -0.502 176.190 176.600 0.154 0.000 1.050 325 K CA 1.427 57.658 56.287 -0.094 0.000 0.938 325 K CB 0.246 32.690 32.500 -0.093 0.000 0.718 325 K HN 0.480 nan 8.250 nan 0.000 0.442 326 D N 1.284 121.765 120.400 0.135 0.000 2.943 326 D HA 0.027 4.667 4.640 -0.000 0.000 0.347 326 D C 0.039 176.459 176.300 0.200 0.000 1.305 326 D CA -0.096 54.001 54.000 0.162 0.000 0.870 326 D CB 1.091 41.955 40.800 0.107 0.000 1.081 326 D HN 0.196 nan 8.370 nan 0.000 0.492 327 E N 0.589 120.942 120.200 0.255 0.000 2.171 327 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 327 E C 1.984 178.819 176.600 0.391 0.000 0.997 327 E CA 0.878 57.497 56.400 0.366 0.000 0.810 327 E CB 0.007 29.918 29.700 0.352 0.000 0.738 327 E HN 0.437 nan 8.360 nan 0.000 0.467 328 G N 0.937 109.913 108.800 0.294 0.000 2.623 328 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.214 328 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.214 328 G C 1.720 176.793 174.900 0.288 0.000 1.138 328 G CA 0.845 46.133 45.100 0.312 0.000 0.794 328 G HN 0.383 nan 8.290 nan 0.000 0.535 329 S N 0.401 116.205 115.700 0.172 0.000 2.383 329 S HA -0.075 4.395 4.470 -0.000 0.000 0.227 329 S C 2.065 176.625 174.600 -0.067 0.000 1.026 329 S CA 0.754 58.995 58.200 0.068 0.000 0.981 329 S CB -0.519 62.605 63.200 -0.126 0.000 0.818 329 S HN 0.111 nan 8.310 nan 0.000 0.472 330 F N 2.143 121.894 119.950 -0.331 0.000 2.091 330 F HA -0.002 4.525 4.527 -0.000 0.000 0.299 330 F C 1.809 177.285 175.800 -0.540 0.000 1.103 330 F CA 0.757 58.387 58.000 -0.617 0.000 1.228 330 F CB -0.811 37.595 39.000 -0.991 0.000 0.984 330 F HN 0.210 nan 8.300 nan 0.000 0.477 331 F N -0.887 119.052 119.950 -0.019 0.000 2.293 331 F HA -0.048 4.478 4.527 -0.000 0.000 0.297 331 F C 2.182 177.940 175.800 -0.071 0.000 1.089 331 F CA 0.559 58.491 58.000 -0.113 0.000 1.377 331 F CB -1.036 37.813 39.000 -0.251 0.000 1.051 331 F HN -0.141 nan 8.300 nan 0.000 0.511 332 L N -0.451 120.768 121.223 -0.007 0.000 2.046 332 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 332 L C 2.478 179.163 176.870 -0.308 0.000 1.077 332 L CA 0.749 55.343 54.840 -0.410 0.000 0.747 332 L CB -0.743 40.670 42.059 -1.077 0.000 0.896 332 L HN 0.169 nan 8.230 nan 0.000 0.432 333 L N -1.044 120.188 121.223 0.015 0.000 2.013 333 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 333 L C 2.347 179.396 176.870 0.299 0.000 1.073 333 L CA 2.025 57.059 54.840 0.323 0.000 0.753 333 L CB -0.669 41.633 42.059 0.404 0.000 0.890 333 L HN 0.120 nan 8.230 nan 0.000 0.432 334 Y N -0.744 119.623 120.300 0.112 0.000 2.395 334 Y HA 0.158 4.708 4.550 -0.000 0.000 0.293 334 Y C 2.276 178.188 175.900 0.019 0.000 1.123 334 Y CA 1.073 59.220 58.100 0.079 0.000 1.227 334 Y CB -0.157 38.318 38.460 0.025 0.000 1.012 334 Y HN 0.308 nan 8.280 nan 0.000 0.552 335 G N -1.988 106.900 108.800 0.145 0.000 2.989 335 G HA2 0.438 4.398 3.960 -0.000 0.000 0.221 335 G HA3 0.438 4.398 3.960 -0.000 0.000 0.221 335 G C -0.069 174.874 174.900 0.073 0.000 1.050 335 G CA 0.427 45.571 45.100 0.073 0.000 0.913 335 G HN 0.266 nan 8.290 nan 0.000 0.587 336 A N 1.345 124.229 122.820 0.107 0.000 2.324 336 A HA 0.813 5.133 4.320 -0.000 0.000 0.330 336 A C -2.636 175.128 177.584 0.300 0.000 1.165 336 A CA -1.553 50.589 52.037 0.175 0.000 0.813 336 A CB 1.263 20.365 19.000 0.170 0.000 1.197 336 A HN 0.035 nan 8.150 nan 0.000 0.484 337 P HA 0.303 nan 4.420 nan 0.000 0.268 337 P C 0.836 178.173 177.300 0.061 0.000 1.204 337 P CA 1.424 64.593 63.100 0.115 0.000 0.768 337 P CB 1.005 32.735 31.700 0.051 0.000 0.842 338 G N 1.492 110.275 108.800 -0.029 0.000 2.218 338 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 338 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 338 G C -0.268 174.395 174.900 -0.395 0.000 0.994 338 G CA -0.574 44.380 45.100 -0.243 0.000 0.637 338 G HN 0.406 nan 8.290 nan 0.000 0.505 339 F N 2.229 122.117 119.950 -0.102 0.000 2.399 339 F HA 0.702 5.229 4.527 -0.000 0.000 0.334 339 F C 0.771 176.582 175.800 0.018 0.000 1.097 339 F CA 0.010 57.922 58.000 -0.147 0.000 1.076 339 F CB 2.139 41.100 39.000 -0.064 0.000 1.162 339 F HN 0.140 nan 8.300 nan 0.000 0.495 340 S N 0.550 116.393 115.700 0.238 0.000 2.607 340 S HA 0.320 4.789 4.470 -0.000 0.000 0.273 340 S C 0.094 174.963 174.600 0.448 0.000 1.148 340 S CA -1.287 57.090 58.200 0.296 0.000 0.833 340 S CB 2.020 65.311 63.200 0.152 0.000 1.130 340 S HN 0.710 nan 8.310 nan 0.000 0.470 341 K N -0.379 120.191 120.400 0.283 0.000 2.426 341 K HA 0.160 4.480 4.320 -0.000 0.000 0.193 341 K C -0.463 176.187 176.600 0.084 0.000 1.028 341 K CA 0.586 56.983 56.287 0.183 0.000 1.047 341 K CB -0.087 32.326 32.500 -0.144 0.000 0.821 341 K HN 0.415 nan 8.250 nan 0.000 0.513 342 D N 1.461 121.909 120.400 0.081 0.000 2.402 342 D HA 0.039 4.679 4.640 -0.000 0.000 0.216 342 D C 0.034 176.375 176.300 0.070 0.000 1.128 342 D CA 0.171 54.190 54.000 0.032 0.000 0.833 342 D CB 0.911 41.702 40.800 -0.015 0.000 0.971 342 D HN 0.340 nan 8.370 nan 0.000 0.503 343 S N -1.028 114.752 115.700 0.133 0.000 0.000 343 S HA 0.256 4.726 4.470 -0.000 0.000 0.000 343 S C 0.442 175.122 174.600 0.133 0.000 0.000 343 S CA -0.652 57.599 58.200 0.084 0.000 0.000 343 S CB 2.128 65.334 63.200 0.009 0.000 0.000 343 S HN -0.174 nan 8.310 nan 0.000 0.000 344 E N 0.596 120.815 120.200 0.032 0.000 2.482 344 E HA 0.096 4.446 4.350 -0.000 0.000 0.196 344 E C -0.318 176.110 176.600 -0.287 0.000 1.047 344 E CA 0.512 56.916 56.400 0.007 0.000 0.869 344 E CB -0.145 29.554 29.700 -0.002 0.000 0.836 344 E HN 0.690 nan 8.360 nan 0.000 0.520 345 S N 1.198 116.663 115.700 -0.392 0.000 3.614 345 S HA -0.170 4.300 4.470 -0.000 0.000 0.360 345 S C -0.142 174.098 174.600 -0.599 0.000 1.023 345 S CA 0.685 58.489 58.200 -0.661 0.000 1.114 345 S CB -1.219 61.205 63.200 -1.294 0.000 0.907 345 S HN 0.285 nan 8.310 nan 0.000 0.470 346 K N 0.836 121.024 120.400 -0.354 0.000 2.447 346 K HA 0.146 4.466 4.320 -0.000 0.000 0.281 346 K C 0.245 176.653 176.600 -0.321 0.000 1.031 346 K CA 0.141 56.265 56.287 -0.272 0.000 1.019 346 K CB 0.268 32.670 32.500 -0.164 0.000 0.918 346 K HN 0.202 nan 8.250 nan 0.000 0.476 347 I N 2.910 123.298 120.570 -0.303 0.000 2.339 347 I HA 0.025 4.195 4.170 -0.000 0.000 0.290 347 I C 1.033 177.062 176.117 -0.147 0.000 0.994 347 I CA -0.367 60.760 61.300 -0.288 0.000 1.191 347 I CB 0.990 38.807 38.000 -0.305 0.000 1.343 347 I HN 0.669 nan 8.210 nan 0.000 0.458 348 S N 6.309 121.938 115.700 -0.119 0.000 2.580 348 S HA 0.077 4.547 4.470 -0.000 0.000 0.266 348 S C 1.305 175.896 174.600 -0.015 0.000 1.354 348 S CA -0.064 58.096 58.200 -0.067 0.000 1.008 348 S CB 1.188 64.356 63.200 -0.052 0.000 0.898 348 S HN 0.685 nan 8.310 nan 0.000 0.555 349 R N 0.755 121.244 120.500 -0.017 0.000 2.075 349 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 349 R C 2.343 178.704 176.300 0.102 0.000 1.126 349 R CA 1.992 58.102 56.100 0.018 0.000 0.963 349 R CB -0.793 29.488 30.300 -0.031 0.000 0.858 349 R HN 0.920 nan 8.270 nan 0.000 0.435 350 E N -0.012 120.222 120.200 0.057 0.000 2.065 350 E HA -0.253 4.097 4.350 -0.000 0.000 0.201 350 E C 1.037 177.672 176.600 0.058 0.000 1.016 350 E CA 1.995 58.427 56.400 0.055 0.000 0.818 350 E CB -0.136 29.579 29.700 0.026 0.000 0.749 350 E HN 0.387 nan 8.360 nan 0.000 0.453 351 D N -0.696 119.728 120.400 0.039 0.000 2.269 351 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 351 D C 1.518 177.853 176.300 0.058 0.000 0.963 351 D CA 0.356 54.370 54.000 0.023 0.000 0.864 351 D CB -0.271 40.506 40.800 -0.038 0.000 0.936 351 D HN 0.200 nan 8.370 nan 0.000 0.505 352 F N 1.302 121.229 119.950 -0.039 0.000 2.102 352 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 352 F C 2.187 177.990 175.800 0.005 0.000 1.105 352 F CA 1.289 59.278 58.000 -0.019 0.000 1.239 352 F CB -0.115 38.852 39.000 -0.056 0.000 0.991 352 F HN -0.181 nan 8.300 nan 0.000 0.474 353 M N 0.194 119.852 119.600 0.096 0.000 2.086 353 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 353 M C 2.517 178.774 176.300 -0.072 0.000 1.067 353 M CA 1.908 57.215 55.300 0.013 0.000 1.116 353 M CB -1.747 30.914 32.600 0.101 0.000 1.348 353 M HN 0.425 nan 8.290 nan 0.000 0.407 354 S N 0.274 115.955 115.700 -0.032 0.000 2.406 354 S HA -0.024 4.446 4.470 -0.000 0.000 0.228 354 S C 2.094 176.661 174.600 -0.054 0.000 1.020 354 S CA 1.104 59.286 58.200 -0.030 0.000 0.965 354 S CB -1.095 62.106 63.200 0.002 0.000 0.798 354 S HN 0.507 nan 8.310 nan 0.000 0.488 355 G N 1.888 110.642 108.800 -0.077 0.000 2.418 355 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 355 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 355 G C 1.633 176.418 174.900 -0.192 0.000 1.158 355 G CA 1.229 46.273 45.100 -0.093 0.000 0.771 355 G HN 0.901 nan 8.290 nan 0.000 0.545 356 V N 0.129 119.839 119.914 -0.340 0.000 2.343 356 V HA -0.057 4.063 4.120 -0.000 0.000 0.247 356 V C 2.425 178.423 176.094 -0.161 0.000 1.051 356 V CA 2.740 64.871 62.300 -0.281 0.000 1.036 356 V CB -0.568 31.056 31.823 -0.331 0.000 0.654 356 V HN 0.379 nan 8.190 nan 0.000 0.451 357 K N -0.688 119.633 120.400 -0.132 0.000 2.032 357 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 357 K C 2.126 178.663 176.600 -0.104 0.000 1.048 357 K CA 2.020 58.240 56.287 -0.112 0.000 0.927 357 K CB -0.271 32.183 32.500 -0.078 0.000 0.712 357 K HN 0.460 nan 8.250 nan 0.000 0.441 358 L N 0.921 122.101 121.223 -0.072 0.000 2.141 358 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 358 L C 2.120 178.965 176.870 -0.041 0.000 1.094 358 L CA 1.540 56.356 54.840 -0.039 0.000 0.763 358 L CB -0.651 41.400 42.059 -0.013 0.000 0.908 358 L HN 0.124 nan 8.230 nan 0.000 0.437 359 S N -1.622 114.038 115.700 -0.067 0.000 2.446 359 S HA 0.066 4.536 4.470 -0.000 0.000 0.225 359 S C 0.926 175.480 174.600 -0.076 0.000 1.016 359 S CA 0.273 58.439 58.200 -0.056 0.000 0.943 359 S CB 0.356 63.508 63.200 -0.080 0.000 0.786 359 S HN 0.158 nan 8.310 nan 0.000 0.508 360 V N 3.028 122.854 119.914 -0.146 0.000 2.361 360 V HA 0.232 4.352 4.120 -0.000 0.000 0.252 360 V C -2.001 173.902 176.094 -0.318 0.000 0.986 360 V CA -1.211 60.928 62.300 -0.268 0.000 1.033 360 V CB 0.911 32.547 31.823 -0.313 0.000 1.282 360 V HN 0.169 nan 8.190 nan 0.000 0.514 361 P HA -0.114 nan 4.420 nan 0.000 0.225 361 P C 1.230 178.038 177.300 -0.820 0.000 1.156 361 P CA 1.203 64.063 63.100 -0.400 0.000 0.787 361 P CB 0.079 31.675 31.700 -0.173 0.000 0.802 362 H N -0.428 118.317 119.070 -0.543 0.000 2.547 362 H HA 0.323 4.879 4.556 -0.000 0.000 0.272 362 H C 0.549 175.701 175.328 -0.293 0.000 0.989 362 H CA 0.001 55.783 56.048 -0.443 0.000 1.214 362 H CB -0.852 28.844 29.762 -0.110 0.000 1.389 362 H HN -0.045 nan 8.280 nan 0.000 0.577 363 A N 2.647 125.101 122.820 -0.609 0.000 2.401 363 A HA 0.198 4.518 4.320 -0.000 0.000 0.259 363 A C 0.381 177.817 177.584 -0.247 0.000 1.103 363 A CA -0.366 51.419 52.037 -0.420 0.000 0.789 363 A CB 0.176 18.928 19.000 -0.413 0.000 1.035 363 A HN 0.681 nan 8.150 nan 0.000 0.491 364 N N 1.460 120.063 118.700 -0.161 0.000 2.294 364 N HA 0.044 4.784 4.740 -0.000 0.000 0.248 364 N C 0.435 175.893 175.510 -0.088 0.000 1.300 364 N CA 0.220 53.208 53.050 -0.103 0.000 0.925 364 N CB -0.230 38.215 38.487 -0.069 0.000 1.188 364 N HN 0.390 nan 8.380 nan 0.000 0.512 365 D N -1.243 119.124 120.400 -0.055 0.000 2.123 365 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 365 D C 1.852 178.141 176.300 -0.018 0.000 0.992 365 D CA 1.139 55.119 54.000 -0.033 0.000 0.833 365 D CB -0.297 40.494 40.800 -0.016 0.000 0.954 365 D HN 0.498 nan 8.370 nan 0.000 0.455 366 L N 0.737 121.947 121.223 -0.020 0.000 2.083 366 L HA 0.078 4.418 4.340 -0.000 0.000 0.209 366 L C 2.553 179.423 176.870 -0.001 0.000 1.083 366 L CA 2.121 56.959 54.840 -0.003 0.000 0.752 366 L CB -1.033 41.018 42.059 -0.012 0.000 0.899 366 L HN 0.191 nan 8.230 nan 0.000 0.433 367 G N -0.586 108.185 108.800 -0.048 0.000 2.418 367 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 367 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 367 G C 1.589 176.479 174.900 -0.017 0.000 1.158 367 G CA 0.983 46.041 45.100 -0.069 0.000 0.771 367 G HN 0.422 nan 8.290 nan 0.000 0.545 368 L N 0.362 121.566 121.223 -0.032 0.000 2.046 368 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 368 L C 2.493 179.401 176.870 0.063 0.000 1.077 368 L CA 1.173 56.009 54.840 -0.007 0.000 0.747 368 L CB -0.398 41.642 42.059 -0.033 0.000 0.896 368 L HN 0.097 nan 8.230 nan 0.000 0.432 369 D N 0.213 120.658 120.400 0.074 0.000 2.144 369 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 369 D C 2.215 178.607 176.300 0.153 0.000 0.984 369 D CA 1.430 55.499 54.000 0.116 0.000 0.834 369 D CB -0.022 40.833 40.800 0.092 0.000 0.955 369 D HN 0.297 nan 8.370 nan 0.000 0.465 370 A N 0.230 123.154 122.820 0.173 0.000 1.898 370 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 370 A C 2.458 180.166 177.584 0.207 0.000 1.181 370 A CA 1.027 53.226 52.037 0.269 0.000 0.620 370 A CB -0.661 18.591 19.000 0.419 0.000 0.819 370 A HN 0.139 nan 8.150 nan 0.000 0.442 371 V N -0.374 119.672 119.914 0.221 0.000 2.270 371 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 371 V C 2.768 178.959 176.094 0.162 0.000 1.043 371 V CA 2.490 64.873 62.300 0.137 0.000 1.014 371 V CB -1.214 30.706 31.823 0.162 0.000 0.645 371 V HN 0.594 nan 8.190 nan 0.000 0.447 372 T N 0.540 115.210 114.554 0.193 0.000 2.665 372 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 372 T C 1.880 176.734 174.700 0.257 0.000 1.035 372 T CA 2.082 64.363 62.100 0.301 0.000 1.151 372 T CB -0.400 68.645 68.868 0.295 0.000 0.862 372 T HN 0.285 nan 8.240 nan 0.000 0.438 373 L N 0.996 122.347 121.223 0.214 0.000 2.083 373 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 373 L C 2.439 179.332 176.870 0.039 0.000 1.083 373 L CA 1.729 56.701 54.840 0.220 0.000 0.752 373 L CB -0.623 41.544 42.059 0.179 0.000 0.899 373 L HN 0.151 nan 8.230 nan 0.000 0.433 374 Q N -1.932 117.794 119.800 -0.124 0.000 2.369 374 Q HA -0.145 4.195 4.340 -0.000 0.000 0.206 374 Q C 0.770 176.522 176.000 -0.413 0.000 0.963 374 Q CA 1.575 57.127 55.803 -0.418 0.000 0.894 374 Q CB -0.020 28.098 28.738 -1.033 0.000 0.965 374 Q HN 0.674 nan 8.270 nan 0.000 0.475 375 Y N -1.755 118.489 120.300 -0.093 0.000 2.563 375 Y HA 0.325 4.875 4.550 -0.000 0.000 0.250 375 Y C -0.286 175.557 175.900 -0.094 0.000 1.126 375 Y CA -0.323 57.772 58.100 -0.008 0.000 1.231 375 Y CB 1.239 39.792 38.460 0.156 0.000 1.288 375 Y HN -0.178 nan 8.280 nan 0.000 0.537 376 T N 0.945 115.426 114.554 -0.122 0.000 2.767 376 T HA 0.105 4.455 4.350 -0.000 0.000 0.284 376 T C -0.789 173.639 174.700 -0.452 0.000 0.973 376 T CA -0.571 61.228 62.100 -0.502 0.000 0.996 376 T CB 1.008 69.337 68.868 -0.900 0.000 0.927 376 T HN -0.013 nan 8.240 nan 0.000 0.456 377 D N 1.932 122.093 120.400 -0.398 0.000 2.393 377 D HA 0.108 4.748 4.640 -0.000 0.000 0.232 377 D C -0.065 176.090 176.300 -0.242 0.000 1.192 377 D CA -0.705 53.157 54.000 -0.231 0.000 0.882 377 D CB 0.374 41.083 40.800 -0.151 0.000 1.038 377 D HN 0.620 nan 8.370 nan 0.000 0.499 378 W N 3.266 124.524 121.300 -0.070 0.000 3.077 378 W HA 0.044 4.704 4.660 -0.000 0.000 0.245 378 W C 1.833 178.321 176.519 -0.052 0.000 1.316 378 W CA -0.346 56.962 57.345 -0.063 0.000 1.537 378 W CB 0.190 29.619 29.460 -0.052 0.000 1.131 378 W HN 0.382 nan 8.180 nan 0.000 0.695 379 M N -0.790 118.882 119.600 0.121 0.000 2.558 379 M HA 0.011 4.490 4.480 -0.000 0.000 0.255 379 M C 0.064 176.379 176.300 0.024 0.000 1.113 379 M CA 1.333 56.674 55.300 0.069 0.000 1.097 379 M CB -0.089 32.532 32.600 0.035 0.000 1.426 379 M HN -0.153 nan 8.290 nan 0.000 0.488 380 D N 0.166 120.550 120.400 -0.026 0.000 3.216 380 D HA 0.025 4.665 4.640 -0.000 0.000 0.348 380 D C 0.437 176.645 176.300 -0.154 0.000 1.407 380 D CA 0.091 54.049 54.000 -0.069 0.000 0.744 380 D CB 0.337 41.097 40.800 -0.067 0.000 1.264 380 D HN 0.224 nan 8.370 nan 0.000 0.543 381 D N -1.085 119.212 120.400 -0.172 0.000 2.317 381 D HA -0.075 4.565 4.640 -0.000 0.000 0.211 381 D C 0.548 176.685 176.300 -0.271 0.000 0.966 381 D CA 0.168 53.958 54.000 -0.350 0.000 0.876 381 D CB 0.227 40.764 40.800 -0.439 0.000 0.927 381 D HN 0.093 nan 8.370 nan 0.000 0.519 382 N N 0.824 119.433 118.700 -0.151 0.000 2.235 382 N HA -0.034 4.706 4.740 -0.000 0.000 0.209 382 N C -0.034 175.408 175.510 -0.114 0.000 1.122 382 N CA -0.162 52.818 53.050 -0.116 0.000 0.845 382 N CB 0.048 38.498 38.487 -0.062 0.000 1.004 382 N HN 0.141 nan 8.380 nan 0.000 0.499 383 N N 1.026 119.645 118.700 -0.135 0.000 2.405 383 N HA 0.055 4.795 4.740 -0.000 0.000 0.260 383 N C 1.276 176.713 175.510 -0.123 0.000 1.152 383 N CA 0.029 53.012 53.050 -0.112 0.000 0.948 383 N CB 0.947 39.375 38.487 -0.099 0.000 1.111 383 N HN 0.143 nan 8.380 nan 0.000 0.485 384 G N 4.299 113.036 108.800 -0.105 0.000 2.432 384 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.219 384 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.219 384 G C 1.479 176.315 174.900 -0.107 0.000 1.135 384 G CA 0.363 45.393 45.100 -0.117 0.000 0.767 384 G HN 0.620 nan 8.290 nan 0.000 0.550 385 I N 0.851 121.377 120.570 -0.073 0.000 2.202 385 I HA -0.067 4.103 4.170 -0.000 0.000 0.242 385 I C 2.560 178.668 176.117 -0.015 0.000 1.091 385 I CA 1.228 62.507 61.300 -0.036 0.000 1.368 385 I CB -0.921 37.072 38.000 -0.013 0.000 1.058 385 I HN 0.191 nan 8.210 nan 0.000 0.410 386 K N 0.578 120.953 120.400 -0.042 0.000 2.148 386 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 386 K C 1.829 178.398 176.600 -0.051 0.000 1.050 386 K CA 0.963 57.225 56.287 -0.041 0.000 0.942 386 K CB -0.068 32.379 32.500 -0.090 0.000 0.724 386 K HN 0.289 nan 8.250 nan 0.000 0.446 387 N N 0.915 119.550 118.700 -0.108 0.000 2.188 387 N HA -0.160 4.580 4.740 -0.000 0.000 0.184 387 N C 1.668 177.284 175.510 0.176 0.000 1.018 387 N CA 0.941 53.953 53.050 -0.063 0.000 0.858 387 N CB -0.159 38.258 38.487 -0.115 0.000 0.989 387 N HN 0.192 nan 8.380 nan 0.000 0.426 388 R N 1.011 121.546 120.500 0.058 0.000 2.070 388 R HA -0.115 4.225 4.340 -0.000 0.000 0.233 388 R C 0.861 177.310 176.300 0.247 0.000 1.137 388 R CA 1.647 57.803 56.100 0.092 0.000 0.945 388 R CB -0.048 30.214 30.300 -0.064 0.000 0.845 388 R HN 0.088 nan 8.270 nan 0.000 0.430 389 D N -0.670 119.847 120.400 0.195 0.000 2.144 389 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 389 D C 1.712 178.157 176.300 0.241 0.000 0.978 389 D CA 1.413 55.547 54.000 0.222 0.000 0.833 389 D CB -0.557 40.346 40.800 0.172 0.000 0.961 389 D HN 0.496 nan 8.370 nan 0.000 0.470 390 G N 1.044 109.995 108.800 0.252 0.000 2.433 390 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 390 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 390 G C 1.525 176.570 174.900 0.242 0.000 1.186 390 G CA 0.328 45.626 45.100 0.330 0.000 0.779 390 G HN 0.171 nan 8.290 nan 0.000 0.543 391 L N 1.230 122.640 121.223 0.313 0.000 2.043 391 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 391 L C 2.328 179.264 176.870 0.109 0.000 1.075 391 L CA 2.102 57.024 54.840 0.136 0.000 0.752 391 L CB -0.928 41.287 42.059 0.260 0.000 0.891 391 L HN 0.207 nan 8.230 nan 0.000 0.432 392 D N -0.656 119.869 120.400 0.208 0.000 2.104 392 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 392 D C 1.734 178.123 176.300 0.148 0.000 0.994 392 D CA 1.323 55.444 54.000 0.202 0.000 0.830 392 D CB 0.067 41.042 40.800 0.292 0.000 0.959 392 D HN 0.355 nan 8.370 nan 0.000 0.452 393 D N -0.248 120.243 120.400 0.152 0.000 2.117 393 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 393 D C 2.377 178.663 176.300 -0.024 0.000 0.982 393 D CA 0.391 54.485 54.000 0.157 0.000 0.828 393 D CB -0.280 40.726 40.800 0.344 0.000 0.967 393 D HN 0.333 nan 8.370 nan 0.000 0.464 394 I N 0.767 121.154 120.570 -0.305 0.000 2.113 394 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 394 I C 2.529 178.520 176.117 -0.210 0.000 1.064 394 I CA 0.951 62.036 61.300 -0.358 0.000 1.320 394 I CB -0.321 37.476 38.000 -0.338 0.000 1.028 394 I HN -0.108 nan 8.210 nan 0.000 0.406 395 V N 0.834 120.679 119.914 -0.114 0.000 2.287 395 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 395 V C 2.534 178.556 176.094 -0.119 0.000 1.053 395 V CA 2.269 64.521 62.300 -0.081 0.000 1.027 395 V CB -1.561 30.281 31.823 0.032 0.000 0.646 395 V HN 0.617 nan 8.190 nan 0.000 0.447 396 G N -0.441 108.347 108.800 -0.020 0.000 2.421 396 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 396 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 396 G C 1.243 176.093 174.900 -0.083 0.000 1.171 396 G CA 1.025 46.134 45.100 0.015 0.000 0.775 396 G HN 0.502 nan 8.290 nan 0.000 0.543 397 D N -0.357 119.973 120.400 -0.117 0.000 2.097 397 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 397 D C 2.093 178.013 176.300 -0.633 0.000 0.984 397 D CA 1.223 55.105 54.000 -0.198 0.000 0.826 397 D CB -0.424 40.433 40.800 0.095 0.000 0.973 397 D HN 0.433 nan 8.370 nan 0.000 0.460 398 H N 0.560 118.961 119.070 -1.115 0.000 2.357 398 H HA 0.057 4.613 4.556 -0.000 0.000 0.301 398 H C 1.482 176.442 175.328 -0.614 0.000 1.082 398 H CA 1.607 56.898 56.048 -1.262 0.000 1.342 398 H CB 0.137 29.092 29.762 -1.345 0.000 1.389 398 H HN -0.020 nan 8.280 nan 0.000 0.511 399 N N -0.881 117.418 118.700 -0.669 0.000 2.415 399 N HA 0.020 4.760 4.740 -0.000 0.000 0.174 399 N C 1.142 176.420 175.510 -0.388 0.000 1.048 399 N CA 1.007 53.613 53.050 -0.740 0.000 0.895 399 N CB 1.142 38.825 38.487 -1.339 0.000 1.036 399 N HN 0.259 nan 8.380 nan 0.000 0.449 400 V N 0.487 120.257 119.914 -0.240 0.000 3.278 400 V HA 0.179 4.298 4.120 -0.000 0.000 0.215 400 V C 2.056 178.134 176.094 -0.027 0.000 1.287 400 V CA -0.001 62.286 62.300 -0.022 0.000 1.302 400 V CB 0.185 32.085 31.823 0.128 0.000 1.228 400 V HN -0.055 nan 8.190 nan 0.000 0.523 401 I N 0.544 121.105 120.570 -0.015 0.000 2.133 401 I HA -0.248 3.922 4.170 -0.000 0.000 0.238 401 I C 2.585 178.708 176.117 0.010 0.000 1.074 401 I CA 1.830 63.147 61.300 0.028 0.000 1.342 401 I CB -0.460 37.593 38.000 0.087 0.000 1.053 401 I HN 0.383 nan 8.210 nan 0.000 0.404 402 c N 0.822 119.418 118.600 -0.008 0.000 2.429 402 c HA -0.054 4.516 4.570 -0.000 0.000 0.277 402 c C 0.301 174.416 174.090 0.041 0.000 1.262 402 c CA 0.678 57.042 56.329 0.059 0.000 1.733 402 c CB -1.999 40.593 42.510 0.137 0.000 2.010 402 c HN 0.358 nan 8.230 nan 0.000 0.483 403 P HA -0.143 nan 4.420 nan 0.000 0.215 403 P C 1.782 179.105 177.300 0.038 0.000 1.157 403 P CA 1.230 64.297 63.100 -0.056 0.000 0.874 403 P CB -0.210 31.372 31.700 -0.197 0.000 0.790 404 L N -2.014 119.213 121.223 0.007 0.000 2.083 404 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 404 L C 2.109 179.023 176.870 0.074 0.000 1.083 404 L CA 1.672 56.535 54.840 0.037 0.000 0.752 404 L CB -0.519 41.536 42.059 -0.005 0.000 0.899 404 L HN -0.096 nan 8.230 nan 0.000 0.433 405 M N -1.062 118.570 119.600 0.054 0.000 2.159 405 M HA -0.221 4.259 4.480 -0.000 0.000 0.263 405 M C 2.248 178.608 176.300 0.101 0.000 1.063 405 M CA 1.659 56.986 55.300 0.046 0.000 1.110 405 M CB -1.602 31.039 32.600 0.069 0.000 1.374 405 M HN 0.408 nan 8.290 nan 0.000 0.411 406 H N -0.129 118.975 119.070 0.058 0.000 2.290 406 H HA -0.200 4.356 4.556 -0.000 0.000 0.298 406 H C 1.849 177.223 175.328 0.077 0.000 1.087 406 H CA 2.278 58.368 56.048 0.071 0.000 1.291 406 H CB -0.432 29.368 29.762 0.064 0.000 1.369 406 H HN 0.229 nan 8.280 nan 0.000 0.492 407 F N 0.068 120.001 119.950 -0.029 0.000 2.091 407 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 407 F C 2.544 178.271 175.800 -0.121 0.000 1.103 407 F CA 1.636 59.572 58.000 -0.107 0.000 1.228 407 F CB -0.975 37.960 39.000 -0.108 0.000 0.984 407 F HN 0.146 nan 8.300 nan 0.000 0.477 408 V N 0.910 120.723 119.914 -0.168 0.000 2.358 408 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 408 V C 2.280 178.202 176.094 -0.287 0.000 1.047 408 V CA 2.396 64.474 62.300 -0.371 0.000 1.035 408 V CB -0.591 30.949 31.823 -0.473 0.000 0.658 408 V HN 0.419 nan 8.190 nan 0.000 0.452 409 N N -0.108 118.519 118.700 -0.123 0.000 2.084 409 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 409 N C 1.830 177.324 175.510 -0.025 0.000 1.030 409 N CA 1.267 54.352 53.050 0.060 0.000 0.849 409 N CB -0.214 38.338 38.487 0.108 0.000 1.012 409 N HN 0.425 nan 8.380 nan 0.000 0.423 410 K N 0.545 120.850 120.400 -0.158 0.000 2.057 410 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 410 K C 1.979 178.544 176.600 -0.058 0.000 1.049 410 K CA 0.746 56.962 56.287 -0.118 0.000 0.931 410 K CB -0.742 31.633 32.500 -0.208 0.000 0.714 410 K HN 0.306 nan 8.250 nan 0.000 0.440 411 Y N 2.293 122.341 120.300 -0.421 0.000 2.224 411 Y HA -0.199 4.351 4.550 -0.000 0.000 0.289 411 Y C 2.211 178.079 175.900 -0.053 0.000 1.146 411 Y CA 1.743 59.540 58.100 -0.504 0.000 1.182 411 Y CB -0.268 37.569 38.460 -1.040 0.000 0.983 411 Y HN 0.011 nan 8.280 nan 0.000 0.524 412 T N -0.678 113.895 114.554 0.033 0.000 2.915 412 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 412 T C 1.934 176.640 174.700 0.011 0.000 1.071 412 T CA 1.355 63.519 62.100 0.107 0.000 1.132 412 T CB -0.167 68.867 68.868 0.277 0.000 0.878 412 T HN 0.122 nan 8.240 nan 0.000 0.479 413 K N 0.390 120.769 120.400 -0.035 0.000 2.281 413 K HA 0.015 4.334 4.320 -0.000 0.000 0.203 413 K C 1.432 177.757 176.600 -0.459 0.000 1.046 413 K CA 0.886 57.036 56.287 -0.229 0.000 0.938 413 K CB -0.420 31.923 32.500 -0.262 0.000 0.737 413 K HN 0.629 nan 8.250 nan 0.000 0.458 414 F N -1.538 118.369 119.950 -0.073 0.000 2.834 414 F HA 0.350 4.877 4.527 -0.000 0.000 0.332 414 F C 1.573 177.277 175.800 -0.161 0.000 1.056 414 F CA -0.310 57.609 58.000 -0.134 0.000 1.178 414 F CB 0.170 39.022 39.000 -0.246 0.000 1.037 414 F HN 0.156 nan 8.300 nan 0.000 0.580 415 G N -0.172 108.590 108.800 -0.064 0.000 2.588 415 G HA2 0.013 3.973 3.960 -0.000 0.000 0.278 415 G HA3 0.013 3.973 3.960 -0.000 0.000 0.278 415 G C 0.316 175.272 174.900 0.093 0.000 1.307 415 G CA -0.299 44.783 45.100 -0.031 0.000 1.016 415 G HN 0.238 nan 8.290 nan 0.000 0.503 416 N N -0.574 118.226 118.700 0.167 0.000 2.235 416 N HA 0.270 5.010 4.740 -0.000 0.000 0.231 416 N C 0.200 175.783 175.510 0.123 0.000 1.177 416 N CA 0.432 53.551 53.050 0.116 0.000 0.874 416 N CB 0.490 39.036 38.487 0.098 0.000 1.097 416 N HN 0.836 nan 8.380 nan 0.000 0.518 417 G N 0.512 109.400 108.800 0.148 0.000 2.088 417 G HA2 0.040 4.000 3.960 -0.000 0.000 0.222 417 G HA3 0.040 4.000 3.960 -0.000 0.000 0.222 417 G C -1.327 173.621 174.900 0.080 0.000 1.690 417 G CA -0.659 44.492 45.100 0.085 0.000 0.923 417 G HN 0.002 nan 8.290 nan 0.000 0.730 418 T N 1.813 116.299 114.554 -0.113 0.000 2.824 418 T HA 0.660 5.010 4.350 -0.000 0.000 0.282 418 T C -1.178 173.293 174.700 -0.380 0.000 0.993 418 T CA -0.265 61.779 62.100 -0.094 0.000 0.967 418 T CB 1.135 70.031 68.868 0.047 0.000 0.960 418 T HN 0.390 nan 8.240 nan 0.000 0.441 419 Y N 2.317 122.548 120.300 -0.114 0.000 2.331 419 Y HA 0.637 5.187 4.550 -0.000 0.000 0.334 419 Y C -0.397 175.582 175.900 0.130 0.000 0.960 419 Y CA -1.155 56.840 58.100 -0.176 0.000 1.130 419 Y CB 1.412 39.339 38.460 -0.889 0.000 1.164 419 Y HN 0.427 nan 8.280 nan 0.000 0.458 420 L N 5.918 127.512 121.223 0.618 0.000 2.334 420 L HA 0.654 4.994 4.340 -0.000 0.000 0.276 420 L C -1.292 176.051 176.870 0.788 0.000 1.014 420 L CA -1.066 54.073 54.840 0.499 0.000 0.815 420 L CB 0.840 43.059 42.059 0.267 0.000 1.268 420 L HN 0.530 nan 8.230 nan 0.000 0.428 421 Y N 2.976 123.590 120.300 0.524 0.000 2.553 421 Y HA 0.684 5.234 4.550 -0.000 0.000 0.347 421 Y C -1.863 174.320 175.900 0.471 0.000 1.019 421 Y CA -1.912 56.449 58.100 0.435 0.000 1.032 421 Y CB 1.260 39.912 38.460 0.319 0.000 1.284 421 Y HN 0.529 nan 8.280 nan 0.000 0.466 422 F N 5.044 125.313 119.950 0.531 0.000 2.430 422 F HA 0.448 4.975 4.527 -0.000 0.000 0.362 422 F C -1.580 174.512 175.800 0.487 0.000 1.103 422 F CA -1.942 56.305 58.000 0.412 0.000 1.045 422 F CB 0.466 39.717 39.000 0.418 0.000 1.276 422 F HN 0.573 nan 8.300 nan 0.000 0.444 423 F N 7.689 127.720 119.950 0.136 0.000 2.438 423 F HA 0.254 4.781 4.527 -0.000 0.000 0.360 423 F C 0.455 176.097 175.800 -0.264 0.000 1.118 423 F CA -0.142 57.877 58.000 0.031 0.000 1.164 423 F CB 0.455 39.556 39.000 0.168 0.000 1.131 423 F HN 0.545 nan 8.300 nan 0.000 0.527 424 N N 3.287 121.600 118.700 -0.644 0.000 2.377 424 N HA 0.055 4.795 4.740 -0.000 0.000 0.259 424 N C -1.049 174.205 175.510 -0.426 0.000 1.332 424 N CA -0.460 52.308 53.050 -0.469 0.000 0.877 424 N CB -0.758 37.604 38.487 -0.209 0.000 1.299 424 N HN 0.606 nan 8.380 nan 0.000 0.501 425 H N 0.941 119.456 119.070 -0.926 0.000 2.604 425 H HA 0.473 5.029 4.556 -0.000 0.000 0.306 425 H C -0.313 174.829 175.328 -0.310 0.000 1.075 425 H CA -0.498 55.183 56.048 -0.612 0.000 1.357 425 H CB 0.876 30.176 29.762 -0.771 0.000 1.426 425 H HN 0.091 nan 8.280 nan 0.000 0.470 426 R N 4.241 124.340 120.500 -0.667 0.000 2.205 426 R HA 0.468 4.808 4.340 -0.000 0.000 0.342 426 R C -0.740 175.239 176.300 -0.535 0.000 1.058 426 R CA -0.308 55.549 56.100 -0.406 0.000 0.904 426 R CB -0.061 30.099 30.300 -0.234 0.000 1.089 426 R HN 0.745 nan 8.270 nan 0.000 0.471 427 A N 3.536 126.284 122.820 -0.120 0.000 2.567 427 A HA 0.060 4.380 4.320 -0.000 0.000 0.240 427 A C 1.335 178.970 177.584 0.085 0.000 1.053 427 A CA 0.575 52.737 52.037 0.208 0.000 0.755 427 A CB 0.025 19.344 19.000 0.532 0.000 0.978 427 A HN 1.076 nan 8.150 nan 0.000 0.507 428 S N 2.018 117.807 115.700 0.148 0.000 2.400 428 S HA -0.223 4.246 4.470 -0.000 0.000 0.232 428 S C 1.080 175.669 174.600 -0.018 0.000 1.025 428 S CA 1.451 59.689 58.200 0.063 0.000 0.993 428 S CB -0.476 62.788 63.200 0.108 0.000 0.808 428 S HN 0.985 nan 8.310 nan 0.000 0.478 429 N N 0.692 119.344 118.700 -0.079 0.000 2.235 429 N HA 0.219 4.959 4.740 -0.000 0.000 0.209 429 N C -0.151 175.275 175.510 -0.140 0.000 1.122 429 N CA -0.414 52.530 53.050 -0.178 0.000 0.845 429 N CB -0.623 37.623 38.487 -0.401 0.000 1.004 429 N HN 0.421 nan 8.380 nan 0.000 0.499 430 L N 1.298 122.484 121.223 -0.062 0.000 2.453 430 L HA 0.048 4.387 4.340 -0.000 0.000 0.272 430 L C 1.290 178.109 176.870 -0.085 0.000 1.182 430 L CA -0.086 54.729 54.840 -0.042 0.000 0.858 430 L CB 1.091 43.144 42.059 -0.009 0.000 1.120 430 L HN 0.131 nan 8.230 nan 0.000 0.474 431 V N 0.419 120.239 119.914 -0.156 0.000 3.471 431 V HA 0.123 4.243 4.120 -0.000 0.000 0.258 431 V C 0.506 176.513 176.094 -0.145 0.000 1.192 431 V CA -0.436 61.739 62.300 -0.208 0.000 1.116 431 V CB -1.244 30.325 31.823 -0.423 0.000 0.792 431 V HN 0.652 nan 8.190 nan 0.000 0.459 432 W N 2.026 123.275 121.300 -0.085 0.000 2.184 432 W HA 0.500 5.160 4.660 -0.000 0.000 0.338 432 W C -1.790 174.593 176.519 -0.227 0.000 1.257 432 W CA -2.118 55.126 57.345 -0.169 0.000 1.243 432 W CB -0.180 29.056 29.460 -0.374 0.000 1.122 432 W HN -0.029 nan 8.180 nan 0.000 0.585 433 P HA -0.062 nan 4.420 nan 0.000 0.269 433 P C 0.234 177.429 177.300 -0.175 0.000 1.215 433 P CA 0.226 63.283 63.100 -0.072 0.000 0.780 433 P CB 1.148 32.829 31.700 -0.032 0.000 0.898 434 E N 2.488 122.659 120.200 -0.048 0.000 2.160 434 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 434 E C 1.718 178.322 176.600 0.006 0.000 0.991 434 E CA 1.557 57.944 56.400 -0.022 0.000 0.810 434 E CB -0.592 29.130 29.700 0.037 0.000 0.742 434 E HN 0.648 nan 8.360 nan 0.000 0.466 435 W N -0.285 121.039 121.300 0.041 0.000 2.392 435 W HA -0.167 4.493 4.660 -0.000 0.000 0.279 435 W C 1.276 177.826 176.519 0.053 0.000 1.225 435 W CA 0.579 57.959 57.345 0.058 0.000 1.233 435 W CB -0.689 28.820 29.460 0.081 0.000 1.122 435 W HN 0.072 nan 8.180 nan 0.000 0.561 436 M N 1.428 120.557 119.600 -0.784 0.000 2.476 436 M HA 0.077 4.557 4.480 -0.000 0.000 0.262 436 M C 1.844 177.948 176.300 -0.326 0.000 1.079 436 M CA 1.640 56.435 55.300 -0.841 0.000 1.104 436 M CB -0.814 31.106 32.600 -1.134 0.000 1.409 436 M HN 0.201 nan 8.290 nan 0.000 0.467 437 G N 0.504 109.198 108.800 -0.176 0.000 2.611 437 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.301 437 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.301 437 G C -0.137 174.707 174.900 -0.093 0.000 1.233 437 G CA -0.092 44.962 45.100 -0.078 0.000 0.993 437 G HN 0.240 nan 8.290 nan 0.000 0.553 438 V N 1.756 121.654 119.914 -0.027 0.000 2.356 438 V HA 0.442 4.562 4.120 -0.000 0.000 0.258 438 V C 0.960 177.111 176.094 0.094 0.000 1.065 438 V CA -0.004 62.319 62.300 0.039 0.000 0.935 438 V CB 0.286 32.128 31.823 0.031 0.000 1.061 438 V HN 0.523 nan 8.190 nan 0.000 0.484 439 I N 3.109 123.721 120.570 0.070 0.000 2.612 439 I HA 0.242 4.412 4.170 -0.000 0.000 0.295 439 I C 0.763 177.103 176.117 0.372 0.000 1.011 439 I CA -0.743 60.606 61.300 0.081 0.000 1.326 439 I CB 0.631 38.440 38.000 -0.318 0.000 1.427 439 I HN 0.591 nan 8.210 nan 0.000 0.537 440 H N 4.064 123.295 119.070 0.267 0.000 3.187 440 H HA 0.149 4.705 4.556 -0.000 0.000 0.286 440 H C 0.983 176.451 175.328 0.233 0.000 0.944 440 H CA 1.321 57.523 56.048 0.256 0.000 1.429 440 H CB 0.062 29.965 29.762 0.234 0.000 1.483 440 H HN 0.766 nan 8.280 nan 0.000 0.555 441 G N 3.554 112.282 108.800 -0.119 0.000 2.213 441 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.236 441 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.236 441 G C 0.641 175.567 174.900 0.044 0.000 0.991 441 G CA 0.366 45.384 45.100 -0.136 0.000 0.629 441 G HN 0.629 nan 8.290 nan 0.000 0.517 442 Y N 1.649 122.092 120.300 0.237 0.000 2.490 442 Y HA 0.192 4.742 4.550 -0.000 0.000 0.281 442 Y C 2.435 178.453 175.900 0.197 0.000 1.174 442 Y CA 1.103 59.395 58.100 0.320 0.000 1.295 442 Y CB 0.344 39.017 38.460 0.355 0.000 1.062 442 Y HN 0.503 nan 8.280 nan 0.000 0.522 443 E N 0.536 120.697 120.200 -0.067 0.000 2.371 443 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 443 E C 1.645 178.170 176.600 -0.124 0.000 1.012 443 E CA 0.825 56.846 56.400 -0.632 0.000 0.860 443 E CB -0.444 28.615 29.700 -1.069 0.000 0.811 443 E HN 0.541 nan 8.360 nan 0.000 0.502 444 I N 2.373 122.993 120.570 0.084 0.000 2.226 444 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 444 I C 2.553 178.769 176.117 0.164 0.000 1.100 444 I CA 1.949 63.364 61.300 0.191 0.000 1.374 444 I CB -0.395 37.779 38.000 0.290 0.000 1.057 444 I HN 0.195 nan 8.210 nan 0.000 0.413 445 E N 0.675 120.934 120.200 0.097 0.000 2.204 445 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 445 E C 1.973 178.465 176.600 -0.179 0.000 0.990 445 E CA 1.381 57.756 56.400 -0.042 0.000 0.821 445 E CB -0.436 29.243 29.700 -0.034 0.000 0.750 445 E HN 0.425 nan 8.360 nan 0.000 0.477 446 F N 1.105 120.978 119.950 -0.129 0.000 2.270 446 F HA -0.031 4.496 4.527 -0.000 0.000 0.295 446 F C 2.358 177.993 175.800 -0.274 0.000 1.087 446 F CA 0.517 58.396 58.000 -0.202 0.000 1.365 446 F CB -0.207 38.720 39.000 -0.121 0.000 1.056 446 F HN -0.150 nan 8.300 nan 0.000 0.506 447 V N -0.954 118.882 119.914 -0.130 0.000 2.407 447 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 447 V C 1.627 177.531 176.094 -0.318 0.000 1.055 447 V CA 1.676 63.746 62.300 -0.382 0.000 1.049 447 V CB -0.637 30.990 31.823 -0.327 0.000 0.662 447 V HN 0.213 nan 8.190 nan 0.000 0.455 448 F N 0.143 119.966 119.950 -0.212 0.000 2.693 448 F HA 0.439 4.966 4.527 -0.000 0.000 0.303 448 F C 1.744 177.456 175.800 -0.148 0.000 1.097 448 F CA 0.619 58.519 58.000 -0.166 0.000 1.330 448 F CB 0.033 38.924 39.000 -0.180 0.000 1.067 448 F HN 0.245 nan 8.300 nan 0.000 0.565 449 G N 0.152 108.876 108.800 -0.127 0.000 2.137 449 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.237 449 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.237 449 G C 1.134 175.746 174.900 -0.480 0.000 1.002 449 G CA 0.327 45.281 45.100 -0.244 0.000 0.702 449 G HN 0.278 nan 8.290 nan 0.000 0.515 450 L N -0.231 120.690 121.223 -0.504 0.000 2.083 450 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 450 L C 0.142 176.607 176.870 -0.676 0.000 1.083 450 L CA 2.384 56.868 54.840 -0.592 0.000 0.752 450 L CB -1.761 40.083 42.059 -0.359 0.000 0.899 450 L HN 0.184 nan 8.230 nan 0.000 0.433 451 P HA -0.126 nan 4.420 nan 0.000 0.229 451 P C 1.874 178.917 177.300 -0.429 0.000 1.150 451 P CA 0.790 63.306 63.100 -0.973 0.000 0.765 451 P CB 0.065 31.050 31.700 -1.191 0.000 0.783 452 L N -1.367 119.606 121.223 -0.416 0.000 2.291 452 L HA 0.005 4.345 4.340 -0.000 0.000 0.214 452 L C 1.178 177.917 176.870 -0.219 0.000 1.120 452 L CA 0.895 55.575 54.840 -0.267 0.000 0.799 452 L CB -0.659 41.259 42.059 -0.234 0.000 0.925 452 L HN -0.039 nan 8.230 nan 0.000 0.446 453 V N 0.441 120.180 119.914 -0.291 0.000 2.389 453 V HA 0.121 4.241 4.120 -0.000 0.000 0.264 453 V C 1.381 177.426 176.094 -0.081 0.000 1.049 453 V CA -0.456 61.732 62.300 -0.187 0.000 0.932 453 V CB 1.288 32.961 31.823 -0.250 0.000 1.011 453 V HN 0.104 nan 8.190 nan 0.000 0.475 454 K N 4.414 124.783 120.400 -0.051 0.000 2.063 454 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 454 K C 1.965 178.552 176.600 -0.023 0.000 1.048 454 K CA 2.047 58.319 56.287 -0.025 0.000 0.928 454 K CB -0.251 32.235 32.500 -0.023 0.000 0.713 454 K HN 0.925 nan 8.250 nan 0.000 0.442 455 E N 0.625 120.806 120.200 -0.031 0.000 2.273 455 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 455 E C 1.826 178.396 176.600 -0.050 0.000 1.002 455 E CA 0.866 57.243 56.400 -0.037 0.000 0.828 455 E CB -0.521 29.158 29.700 -0.035 0.000 0.747 455 E HN 0.349 nan 8.360 nan 0.000 0.491 456 L N 0.110 121.312 121.223 -0.035 0.000 2.552 456 L HA 0.029 4.369 4.340 -0.000 0.000 0.227 456 L C 0.132 176.913 176.870 -0.149 0.000 1.146 456 L CA 0.310 55.116 54.840 -0.057 0.000 0.858 456 L CB -0.781 41.316 42.059 0.063 0.000 0.969 456 L HN 0.161 nan 8.230 nan 0.000 0.451 457 N N -1.900 116.757 118.700 -0.072 0.000 2.741 457 N HA -0.238 4.502 4.740 -0.000 0.000 0.250 457 N C -0.511 174.935 175.510 -0.107 0.000 1.115 457 N CA 0.135 53.133 53.050 -0.087 0.000 0.724 457 N CB -1.051 37.370 38.487 -0.111 0.000 1.090 457 N HN 0.263 nan 8.380 nan 0.000 0.558 458 Y N 0.844 121.106 120.300 -0.062 0.000 2.357 458 Y HA 0.111 4.661 4.550 -0.000 0.000 0.340 458 Y C 1.841 177.733 175.900 -0.012 0.000 1.260 458 Y CA 0.238 58.317 58.100 -0.036 0.000 1.425 458 Y CB 0.463 38.865 38.460 -0.097 0.000 1.326 458 Y HN 0.028 nan 8.280 nan 0.000 0.580 459 T N -1.516 113.161 114.554 0.204 0.000 2.766 459 T HA 0.308 4.658 4.350 -0.000 0.000 0.295 459 T C 1.235 175.991 174.700 0.095 0.000 1.024 459 T CA -0.314 61.861 62.100 0.124 0.000 1.018 459 T CB 0.999 69.942 68.868 0.125 0.000 1.002 459 T HN 0.768 nan 8.240 nan 0.000 0.532 460 A N 1.003 123.856 122.820 0.055 0.000 1.972 460 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 460 A C 2.316 179.913 177.584 0.023 0.000 1.169 460 A CA 1.282 53.335 52.037 0.027 0.000 0.635 460 A CB -0.671 18.339 19.000 0.017 0.000 0.810 460 A HN 0.934 nan 8.150 nan 0.000 0.446 461 E N 0.289 120.511 120.200 0.038 0.000 2.216 461 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 461 E C 1.458 178.069 176.600 0.017 0.000 0.988 461 E CA 1.037 57.448 56.400 0.018 0.000 0.834 461 E CB -0.473 29.237 29.700 0.017 0.000 0.772 461 E HN 0.766 nan 8.360 nan 0.000 0.479 462 E N 1.260 121.510 120.200 0.084 0.000 2.106 462 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 462 E C 2.076 178.701 176.600 0.041 0.000 0.984 462 E CA 1.109 57.617 56.400 0.181 0.000 0.806 462 E CB 0.023 29.927 29.700 0.340 0.000 0.750 462 E HN 0.400 nan 8.360 nan 0.000 0.458 463 E N 0.541 120.718 120.200 -0.038 0.000 2.077 463 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 463 E C 1.979 178.537 176.600 -0.070 0.000 0.989 463 E CA 1.079 57.416 56.400 -0.104 0.000 0.800 463 E CB -0.077 29.572 29.700 -0.085 0.000 0.746 463 E HN 0.223 nan 8.360 nan 0.000 0.452 464 A N 1.160 123.957 122.820 -0.039 0.000 1.902 464 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 464 A C 2.167 179.726 177.584 -0.041 0.000 1.181 464 A CA 1.382 53.392 52.037 -0.045 0.000 0.623 464 A CB -0.709 18.270 19.000 -0.035 0.000 0.818 464 A HN 0.412 nan 8.150 nan 0.000 0.443 465 L N -0.188 121.031 121.223 -0.006 0.000 2.017 465 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 465 L C 2.567 179.477 176.870 0.066 0.000 1.073 465 L CA 2.704 57.553 54.840 0.015 0.000 0.745 465 L CB -0.883 41.158 42.059 -0.030 0.000 0.894 465 L HN 0.334 nan 8.230 nan 0.000 0.432 466 S N -0.709 115.062 115.700 0.119 0.000 2.359 466 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 466 S C 2.195 176.741 174.600 -0.090 0.000 1.035 466 S CA 1.510 59.715 58.200 0.008 0.000 1.018 466 S CB -0.262 62.815 63.200 -0.204 0.000 0.876 466 S HN 0.542 nan 8.310 nan 0.000 0.448 467 R N 0.712 121.156 120.500 -0.095 0.000 2.091 467 R HA -0.082 4.258 4.340 -0.000 0.000 0.238 467 R C 2.655 178.884 176.300 -0.118 0.000 1.136 467 R CA 1.815 57.854 56.100 -0.101 0.000 0.959 467 R CB -0.326 29.914 30.300 -0.100 0.000 0.856 467 R HN 0.602 nan 8.270 nan 0.000 0.437 468 R N 0.208 120.618 120.500 -0.151 0.000 2.153 468 R HA 0.018 4.358 4.340 -0.000 0.000 0.218 468 R C 2.088 178.173 176.300 -0.358 0.000 1.072 468 R CA 1.011 56.937 56.100 -0.291 0.000 0.990 468 R CB -0.471 29.618 30.300 -0.352 0.000 0.889 468 R HN 0.186 nan 8.270 nan 0.000 0.452 469 I N 1.536 122.005 120.570 -0.169 0.000 2.179 469 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 469 I C 2.638 178.639 176.117 -0.192 0.000 1.088 469 I CA 1.543 62.752 61.300 -0.152 0.000 1.357 469 I CB -0.220 37.589 38.000 -0.318 0.000 1.051 469 I HN 0.145 nan 8.210 nan 0.000 0.409 470 M N -0.581 118.898 119.600 -0.201 0.000 2.108 470 M HA -0.291 4.189 4.480 -0.000 0.000 0.261 470 M C 2.434 178.767 176.300 0.056 0.000 1.066 470 M CA 1.887 57.112 55.300 -0.125 0.000 1.107 470 M CB -0.740 31.794 32.600 -0.109 0.000 1.356 470 M HN 0.277 nan 8.290 nan 0.000 0.406 471 H N -0.460 118.576 119.070 -0.057 0.000 2.357 471 H HA -0.154 4.402 4.556 -0.000 0.000 0.301 471 H C 1.605 177.015 175.328 0.136 0.000 1.082 471 H CA 2.007 58.044 56.048 -0.019 0.000 1.342 471 H CB -0.084 29.613 29.762 -0.108 0.000 1.389 471 H HN 0.279 nan 8.280 nan 0.000 0.511 472 Y N -0.702 119.752 120.300 0.256 0.000 2.081 472 Y HA -0.305 4.245 4.550 -0.000 0.000 0.280 472 Y C 2.645 178.731 175.900 0.310 0.000 1.163 472 Y CA 1.259 59.550 58.100 0.319 0.000 1.135 472 Y CB -1.163 37.686 38.460 0.649 0.000 0.970 472 Y HN 0.383 nan 8.280 nan 0.000 0.498 473 W N -0.572 120.815 121.300 0.144 0.000 2.354 473 W HA -0.221 4.439 4.660 -0.000 0.000 0.315 473 W C 2.601 179.110 176.519 -0.017 0.000 1.206 473 W CA 1.182 58.542 57.345 0.026 0.000 1.290 473 W CB -0.476 28.933 29.460 -0.084 0.000 1.152 473 W HN 0.063 nan 8.180 nan 0.000 0.489 474 A N -0.301 122.622 122.820 0.171 0.000 1.929 474 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 474 A C 1.806 179.354 177.584 -0.060 0.000 1.176 474 A CA 2.026 54.068 52.037 0.009 0.000 0.628 474 A CB -1.128 17.858 19.000 -0.024 0.000 0.816 474 A HN 0.189 nan 8.150 nan 0.000 0.444 475 T N -0.720 113.760 114.554 -0.123 0.000 2.746 475 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 475 T C 1.593 176.235 174.700 -0.096 0.000 1.039 475 T CA 1.548 63.543 62.100 -0.176 0.000 1.142 475 T CB -0.396 68.313 68.868 -0.264 0.000 0.866 475 T HN 0.497 nan 8.240 nan 0.000 0.444 476 F N 2.343 122.193 119.950 -0.167 0.000 2.095 476 F HA -0.085 4.442 4.527 -0.000 0.000 0.298 476 F C 2.452 178.162 175.800 -0.151 0.000 1.104 476 F CA 1.226 59.096 58.000 -0.218 0.000 1.232 476 F CB -0.716 38.091 39.000 -0.320 0.000 0.987 476 F HN 0.143 nan 8.300 nan 0.000 0.475 477 A N 0.013 122.773 122.820 -0.100 0.000 1.917 477 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 477 A C 2.148 179.607 177.584 -0.208 0.000 1.182 477 A CA 2.147 54.085 52.037 -0.165 0.000 0.633 477 A CB -0.802 18.162 19.000 -0.061 0.000 0.819 477 A HN 0.428 nan 8.150 nan 0.000 0.448 478 K N -1.075 119.227 120.400 -0.163 0.000 2.057 478 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 478 K C 1.900 178.400 176.600 -0.166 0.000 1.049 478 K CA 2.089 58.297 56.287 -0.133 0.000 0.931 478 K CB -0.114 32.323 32.500 -0.105 0.000 0.714 478 K HN 0.731 nan 8.250 nan 0.000 0.440 479 T N -6.592 107.823 114.554 -0.232 0.000 2.993 479 T HA 0.283 4.633 4.350 -0.000 0.000 0.260 479 T C 1.179 175.720 174.700 -0.265 0.000 0.939 479 T CA 0.255 62.236 62.100 -0.198 0.000 0.886 479 T CB 1.056 69.841 68.868 -0.140 0.000 1.209 479 T HN 0.215 nan 8.240 nan 0.000 0.518 480 G N 1.652 110.146 108.800 -0.510 0.000 2.157 480 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.239 480 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.239 480 G C -0.211 174.545 174.900 -0.239 0.000 0.982 480 G CA 0.015 44.757 45.100 -0.596 0.000 0.650 480 G HN 0.884 nan 8.290 nan 0.000 0.527 481 N N -0.383 118.193 118.700 -0.206 0.000 2.503 481 N HA 0.425 5.165 4.740 -0.000 0.000 0.287 481 N C -1.821 173.541 175.510 -0.247 0.000 1.096 481 N CA -1.444 51.490 53.050 -0.193 0.000 0.936 481 N CB 2.325 40.783 38.487 -0.047 0.000 1.570 481 N HN -0.078 nan 8.380 nan 0.000 0.504 482 P HA -0.022 nan 4.420 nan 0.000 0.226 482 P C -0.509 176.832 177.300 0.069 0.000 1.153 482 P CA 0.554 63.536 63.100 -0.196 0.000 0.777 482 P CB 0.305 31.649 31.700 -0.594 0.000 0.794 483 N N 1.373 120.058 118.700 -0.025 0.000 2.472 483 N HA 0.114 4.854 4.740 -0.000 0.000 0.277 483 N C 0.039 175.594 175.510 0.076 0.000 1.081 483 N CA -0.136 52.987 53.050 0.123 0.000 0.973 483 N CB 1.167 39.718 38.487 0.107 0.000 1.105 483 N HN 0.122 nan 8.380 nan 0.000 0.470 484 E N 2.562 122.837 120.200 0.125 0.000 2.344 484 E HA 0.106 4.456 4.350 -0.000 0.000 0.270 484 E C -1.946 174.670 176.600 0.026 0.000 1.021 484 E CA -1.447 55.001 56.400 0.080 0.000 0.887 484 E CB 0.574 30.360 29.700 0.145 0.000 0.997 484 E HN 0.302 nan 8.360 nan 0.000 0.429 485 P HA -0.124 nan 4.420 nan 0.000 0.262 485 P C -0.667 176.563 177.300 -0.117 0.000 1.182 485 P CA 0.488 63.458 63.100 -0.216 0.000 0.761 485 P CB 0.383 31.935 31.700 -0.246 0.000 0.795 486 H N -1.960 117.147 119.070 0.061 0.000 3.010 486 H HA -0.165 4.391 4.556 -0.000 0.000 0.272 486 H C 0.850 176.212 175.328 0.057 0.000 1.151 486 H CA 1.042 57.123 56.048 0.053 0.000 1.159 486 H CB -2.102 27.686 29.762 0.042 0.000 1.295 486 H HN 0.539 nan 8.280 nan 0.000 0.344 487 S N -0.087 115.694 115.700 0.135 0.000 2.580 487 S HA 0.305 4.775 4.470 -0.000 0.000 0.261 487 S C 1.533 176.199 174.600 0.109 0.000 1.366 487 S CA 1.116 59.385 58.200 0.116 0.000 0.996 487 S CB 1.126 64.397 63.200 0.117 0.000 0.902 487 S HN 0.682 nan 8.310 nan 0.000 0.566 488 Q N 0.326 120.179 119.800 0.088 0.000 2.352 488 Q HA 0.321 4.661 4.340 -0.000 0.000 0.212 488 Q C 0.958 177.006 176.000 0.080 0.000 0.888 488 Q CA 1.023 56.872 55.803 0.077 0.000 0.934 488 Q CB -1.392 27.380 28.738 0.057 0.000 1.093 488 Q HN 1.108 nan 8.270 nan 0.000 0.523 489 E N 0.588 120.843 120.200 0.091 0.000 2.408 489 E HA 0.424 4.774 4.350 -0.000 0.000 0.259 489 E C 0.177 176.854 176.600 0.129 0.000 1.110 489 E CA 0.076 56.538 56.400 0.102 0.000 0.929 489 E CB 0.181 29.947 29.700 0.111 0.000 0.971 489 E HN 0.610 nan 8.360 nan 0.000 0.438 490 S N 1.552 117.330 115.700 0.130 0.000 2.563 490 S HA 0.226 4.696 4.470 -0.000 0.000 0.284 490 S C -0.034 174.685 174.600 0.198 0.000 1.331 490 S CA -0.302 57.981 58.200 0.138 0.000 1.047 490 S CB 0.324 63.592 63.200 0.113 0.000 0.859 490 S HN 0.458 nan 8.310 nan 0.000 0.514 491 K N 1.936 122.445 120.400 0.181 0.000 2.293 491 K HA 0.150 4.470 4.320 -0.000 0.000 0.267 491 K C -0.741 176.030 176.600 0.285 0.000 1.010 491 K CA -0.443 55.981 56.287 0.227 0.000 0.875 491 K CB 0.960 33.568 32.500 0.181 0.000 1.106 491 K HN 0.695 nan 8.250 nan 0.000 0.450 492 W N 7.576 128.927 121.300 0.086 0.000 2.529 492 W HA 0.137 4.797 4.660 -0.000 0.000 0.319 492 W C -2.274 174.377 176.519 0.219 0.000 1.362 492 W CA -2.217 55.181 57.345 0.088 0.000 1.348 492 W CB -0.044 29.368 29.460 -0.079 0.000 1.403 492 W HN 0.375 nan 8.180 nan 0.000 0.519 493 P HA 0.043 nan 4.420 nan 0.000 0.281 493 P C -0.309 177.180 177.300 0.316 0.000 1.249 493 P CA -0.606 62.703 63.100 0.348 0.000 0.810 493 P CB 1.333 33.164 31.700 0.219 0.000 1.008 494 L N 2.309 123.566 121.223 0.057 0.000 2.525 494 L HA 0.076 4.416 4.340 -0.000 0.000 0.278 494 L C 0.634 177.500 176.870 -0.007 0.000 1.218 494 L CA -0.135 54.549 54.840 -0.259 0.000 0.878 494 L CB -1.346 40.587 42.059 -0.209 0.000 1.127 494 L HN 0.395 nan 8.230 nan 0.000 0.492 495 F N 3.418 123.288 119.950 -0.133 0.000 2.506 495 F HA 0.282 4.809 4.527 -0.000 0.000 0.371 495 F C 0.647 176.424 175.800 -0.039 0.000 1.078 495 F CA -0.407 57.593 58.000 0.000 0.000 1.195 495 F CB 0.608 39.632 39.000 0.040 0.000 1.099 495 F HN 0.609 nan 8.300 nan 0.000 0.548 496 T N 0.982 115.284 114.554 -0.421 0.000 2.940 496 T HA 0.243 4.593 4.350 -0.000 0.000 0.288 496 T C 0.983 175.389 174.700 -0.490 0.000 1.033 496 T CA -0.053 61.865 62.100 -0.304 0.000 1.033 496 T CB 1.489 70.249 68.868 -0.181 0.000 1.079 496 T HN 0.679 nan 8.240 nan 0.000 0.496 497 T N -0.632 113.786 114.554 -0.228 0.000 2.904 497 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 497 T C 1.637 176.235 174.700 -0.170 0.000 1.059 497 T CA 1.197 63.196 62.100 -0.169 0.000 1.137 497 T CB -0.437 68.403 68.868 -0.047 0.000 0.879 497 T HN 0.722 nan 8.240 nan 0.000 0.467 498 K N 0.041 120.351 120.400 -0.149 0.000 2.097 498 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 498 K C 2.198 178.720 176.600 -0.128 0.000 1.050 498 K CA 1.663 57.885 56.287 -0.109 0.000 0.938 498 K CB -0.028 32.424 32.500 -0.080 0.000 0.718 498 K HN 0.414 nan 8.250 nan 0.000 0.442 499 E N -0.107 119.975 120.200 -0.196 0.000 2.330 499 E HA 0.039 4.389 4.350 -0.000 0.000 0.200 499 E C -0.376 176.110 176.600 -0.191 0.000 0.922 499 E CA 0.170 56.477 56.400 -0.155 0.000 0.935 499 E CB 0.644 30.270 29.700 -0.123 0.000 0.917 499 E HN 0.223 nan 8.360 nan 0.000 0.491 500 Q N 0.291 119.808 119.800 -0.471 0.000 2.487 500 Q HA -0.218 4.122 4.340 -0.000 0.000 0.279 500 Q C -0.895 175.124 176.000 0.032 0.000 1.228 500 Q CA 0.646 56.098 55.803 -0.586 0.000 0.873 500 Q CB -1.542 27.093 28.738 -0.171 0.000 1.260 500 Q HN 0.121 nan 8.270 nan 0.000 0.471 501 K N 0.502 120.930 120.400 0.048 0.000 2.202 501 K HA 0.573 4.893 4.320 -0.000 0.000 0.264 501 K C -0.020 176.913 176.600 0.556 0.000 1.010 501 K CA 0.171 56.604 56.287 0.242 0.000 0.940 501 K CB 0.460 33.035 32.500 0.125 0.000 0.983 501 K HN 0.233 nan 8.250 nan 0.000 0.475 502 F N -0.478 119.654 119.950 0.304 0.000 2.668 502 F HA 0.545 5.072 4.527 -0.000 0.000 0.309 502 F C -1.031 174.896 175.800 0.212 0.000 1.117 502 F CA -1.564 56.643 58.000 0.346 0.000 0.951 502 F CB 0.721 39.924 39.000 0.339 0.000 1.323 502 F HN 0.389 nan 8.300 nan 0.000 0.451 503 I N -0.577 120.061 120.570 0.112 0.000 2.707 503 I HA 0.628 4.798 4.170 -0.000 0.000 0.309 503 I C -0.802 175.429 176.117 0.191 0.000 1.001 503 I CA -0.775 60.454 61.300 -0.119 0.000 1.129 503 I CB 1.451 39.190 38.000 -0.436 0.000 1.308 503 I HN 0.439 nan 8.210 nan 0.000 0.466 504 D N 3.325 123.836 120.400 0.185 0.000 2.304 504 D HA 0.420 5.060 4.640 -0.000 0.000 0.247 504 D C -0.818 175.552 176.300 0.118 0.000 1.089 504 D CA 0.104 54.294 54.000 0.316 0.000 0.910 504 D CB 1.764 42.742 40.800 0.295 0.000 1.199 504 D HN 0.234 nan 8.370 nan 0.000 0.426 505 L N 3.118 124.417 121.223 0.126 0.000 2.318 505 L HA 0.315 4.654 4.340 -0.000 0.000 0.277 505 L C -0.403 176.372 176.870 -0.158 0.000 1.008 505 L CA -0.424 54.437 54.840 0.036 0.000 0.846 505 L CB 0.067 42.240 42.059 0.190 0.000 1.220 505 L HN 0.506 nan 8.230 nan 0.000 0.423 506 N N -0.424 118.191 118.700 -0.142 0.000 3.449 506 N HA 0.285 5.025 4.740 -0.000 0.000 0.312 506 N C 0.471 175.869 175.510 -0.186 0.000 1.557 506 N CA -0.048 52.863 53.050 -0.231 0.000 0.864 506 N CB 0.309 38.719 38.487 -0.128 0.000 1.799 506 N HN 0.091 nan 8.380 nan 0.000 0.554 507 T N -3.392 111.041 114.554 -0.201 0.000 3.067 507 T HA 0.130 4.480 4.350 -0.000 0.000 0.261 507 T C 0.119 174.792 174.700 -0.045 0.000 1.110 507 T CA 0.537 62.555 62.100 -0.137 0.000 1.113 507 T CB -0.465 68.324 68.868 -0.132 0.000 0.917 507 T HN 0.520 nan 8.240 nan 0.000 0.499 508 E N 2.450 122.639 120.200 -0.019 0.000 2.374 508 E HA 0.311 4.661 4.350 -0.000 0.000 0.260 508 E C -2.406 174.196 176.600 0.003 0.000 1.101 508 E CA -2.136 54.266 56.400 0.004 0.000 0.907 508 E CB 0.057 29.769 29.700 0.021 0.000 1.014 508 E HN 0.220 nan 8.360 nan 0.000 0.427 509 P HA -0.119 nan 4.420 nan 0.000 0.267 509 P C -0.505 176.797 177.300 0.004 0.000 1.201 509 P CA 0.317 63.424 63.100 0.012 0.000 0.775 509 P CB 0.375 32.081 31.700 0.011 0.000 0.854 510 M N 2.414 122.018 119.600 0.007 0.000 2.217 510 M HA 0.080 4.560 4.480 -0.000 0.000 0.352 510 M C -0.428 175.831 176.300 -0.067 0.000 1.376 510 M CA 0.559 55.848 55.300 -0.018 0.000 1.107 510 M CB -0.009 32.596 32.600 0.009 0.000 1.723 510 M HN 0.157 nan 8.290 nan 0.000 0.461 511 K N 4.241 124.567 120.400 -0.123 0.000 2.185 511 K HA 0.504 4.824 4.320 -0.000 0.000 0.269 511 K C -1.231 175.111 176.600 -0.430 0.000 0.987 511 K CA -0.768 55.355 56.287 -0.274 0.000 0.865 511 K CB 2.036 34.358 32.500 -0.297 0.000 1.090 511 K HN 0.554 nan 8.250 nan 0.000 0.450 512 V N 4.734 124.394 119.914 -0.423 0.000 2.465 512 V HA 0.235 4.355 4.120 -0.000 0.000 0.279 512 V C 0.095 175.805 176.094 -0.641 0.000 1.045 512 V CA -0.442 61.612 62.300 -0.411 0.000 0.938 512 V CB 0.843 32.559 31.823 -0.178 0.000 0.986 512 V HN 0.743 nan 8.190 nan 0.000 0.467 513 H N 3.135 121.877 119.070 -0.547 0.000 2.927 513 H HA 0.641 5.197 4.556 -0.000 0.000 0.316 513 H C -1.022 174.067 175.328 -0.398 0.000 1.403 513 H CA -0.834 54.875 56.048 -0.565 0.000 1.288 513 H CB 2.188 31.426 29.762 -0.874 0.000 1.944 513 H HN 0.543 nan 8.280 nan 0.000 0.629 514 Q N 0.349 120.204 119.800 0.092 0.000 2.423 514 Q HA 0.326 4.666 4.340 -0.000 0.000 0.278 514 Q C -0.614 175.618 176.000 0.387 0.000 1.097 514 Q CA -0.953 54.995 55.803 0.240 0.000 0.809 514 Q CB 2.820 31.624 28.738 0.110 0.000 1.391 514 Q HN 0.460 nan 8.270 nan 0.000 0.428 515 R N 0.884 121.592 120.500 0.348 0.000 3.059 515 R HA -0.211 4.129 4.340 -0.000 0.000 0.251 515 R C -0.514 175.911 176.300 0.209 0.000 0.886 515 R CA -0.082 56.167 56.100 0.248 0.000 0.634 515 R CB -1.770 28.621 30.300 0.152 0.000 1.282 515 R HN 0.466 nan 8.270 nan 0.000 0.487 516 L N 2.251 123.530 121.223 0.093 0.000 2.660 516 L HA -0.033 4.307 4.340 -0.000 0.000 0.272 516 L C 1.004 177.807 176.870 -0.111 0.000 1.194 516 L CA 0.662 55.330 54.840 -0.288 0.000 0.945 516 L CB -0.235 41.255 42.059 -0.948 0.000 1.212 516 L HN 0.486 nan 8.230 nan 0.000 0.490 517 R N 2.233 122.684 120.500 -0.081 0.000 3.387 517 R HA -0.193 4.147 4.340 -0.000 0.000 0.254 517 R C 1.199 177.550 176.300 0.085 0.000 1.006 517 R CA 0.609 56.718 56.100 0.015 0.000 0.677 517 R CB -1.939 28.388 30.300 0.044 0.000 1.063 517 R HN 0.754 nan 8.270 nan 0.000 0.453 518 V N -2.333 117.630 119.914 0.081 0.000 2.332 518 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 518 V C 2.315 178.477 176.094 0.114 0.000 1.055 518 V CA 2.216 64.579 62.300 0.106 0.000 1.038 518 V CB -0.477 31.402 31.823 0.093 0.000 0.651 518 V HN 0.344 nan 8.190 nan 0.000 0.450 519 Q N -0.197 119.653 119.800 0.084 0.000 2.020 519 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 519 Q C 2.171 178.228 176.000 0.094 0.000 0.982 519 Q CA 2.008 57.846 55.803 0.059 0.000 0.838 519 Q CB -0.363 28.380 28.738 0.008 0.000 0.899 519 Q HN 0.488 nan 8.270 nan 0.000 0.423 520 M N -0.851 118.828 119.600 0.132 0.000 2.159 520 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 520 M C 2.314 178.896 176.300 0.471 0.000 1.063 520 M CA 0.963 56.422 55.300 0.265 0.000 1.110 520 M CB -1.267 31.565 32.600 0.388 0.000 1.374 520 M HN 0.345 nan 8.290 nan 0.000 0.411 521 c N -0.612 118.209 118.600 0.368 0.000 2.464 521 c HA -0.004 4.566 4.570 -0.000 0.000 0.278 521 c C 2.897 177.168 174.090 0.302 0.000 1.375 521 c CA 0.122 56.678 56.329 0.379 0.000 1.761 521 c CB -0.810 41.854 42.510 0.257 0.000 1.944 521 c HN 0.324 nan 8.230 nan 0.000 0.509 522 V N 0.732 120.786 119.914 0.233 0.000 2.343 522 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 522 V C 2.061 178.279 176.094 0.207 0.000 1.051 522 V CA 2.290 64.704 62.300 0.189 0.000 1.036 522 V CB -0.833 31.073 31.823 0.137 0.000 0.654 522 V HN 0.567 nan 8.190 nan 0.000 0.451 523 F N 0.002 119.987 119.950 0.059 0.000 2.075 523 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 523 F C 2.023 177.812 175.800 -0.017 0.000 1.113 523 F CA 1.748 59.732 58.000 -0.026 0.000 1.218 523 F CB -0.425 38.430 39.000 -0.242 0.000 0.984 523 F HN 0.161 nan 8.300 nan 0.000 0.472 524 W N 0.529 121.919 121.300 0.152 0.000 2.402 524 W HA -0.116 4.544 4.660 -0.000 0.000 0.286 524 W C 2.029 178.522 176.519 -0.044 0.000 1.221 524 W CA 0.854 58.219 57.345 0.033 0.000 1.257 524 W CB -0.408 29.187 29.460 0.224 0.000 1.120 524 W HN 0.004 nan 8.180 nan 0.000 0.551 525 N N -0.879 117.938 118.700 0.195 0.000 2.415 525 N HA 0.007 4.747 4.740 -0.000 0.000 0.174 525 N C 1.333 176.857 175.510 0.023 0.000 1.048 525 N CA 0.844 53.937 53.050 0.071 0.000 0.895 525 N CB -0.111 38.445 38.487 0.115 0.000 1.036 525 N HN 0.253 nan 8.380 nan 0.000 0.449 526 Q N -0.748 119.084 119.800 0.052 0.000 2.622 526 Q HA 0.278 4.618 4.340 -0.000 0.000 0.208 526 Q C 1.380 177.385 176.000 0.008 0.000 0.911 526 Q CA -0.023 55.810 55.803 0.049 0.000 0.893 526 Q CB -0.152 28.647 28.738 0.102 0.000 1.124 526 Q HN 0.133 nan 8.270 nan 0.000 0.634 527 F N 0.971 120.840 119.950 -0.135 0.000 2.084 527 F HA -0.158 4.369 4.527 -0.000 0.000 0.296 527 F C 1.794 177.417 175.800 -0.295 0.000 1.111 527 F CA 1.018 58.909 58.000 -0.182 0.000 1.224 527 F CB -0.241 38.677 39.000 -0.136 0.000 0.991 527 F HN 0.115 nan 8.300 nan 0.000 0.471 528 L N 1.065 121.903 121.223 -0.643 0.000 2.017 528 L HA -0.053 4.286 4.340 -0.000 0.000 0.208 528 L C -0.791 175.820 176.870 -0.432 0.000 1.073 528 L CA 2.035 56.439 54.840 -0.726 0.000 0.745 528 L CB -1.910 39.654 42.059 -0.825 0.000 0.894 528 L HN -0.010 nan 8.230 nan 0.000 0.432 529 P HA -0.206 nan 4.420 nan 0.000 0.216 529 P C 1.525 178.713 177.300 -0.187 0.000 1.153 529 P CA 1.542 64.547 63.100 -0.158 0.000 0.858 529 P CB -0.080 31.558 31.700 -0.104 0.000 0.789 530 K N -0.783 119.476 120.400 -0.235 0.000 2.032 530 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 530 K C 1.957 178.394 176.600 -0.273 0.000 1.048 530 K CA 1.300 57.456 56.287 -0.219 0.000 0.927 530 K CB -0.973 31.409 32.500 -0.196 0.000 0.712 530 K HN 0.066 nan 8.250 nan 0.000 0.441 531 L N 1.593 122.544 121.223 -0.454 0.000 2.017 531 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 531 L C 1.965 178.696 176.870 -0.232 0.000 1.073 531 L CA 1.541 56.138 54.840 -0.404 0.000 0.745 531 L CB -0.493 41.192 42.059 -0.622 0.000 0.894 531 L HN 0.130 nan 8.230 nan 0.000 0.432 532 L N -0.463 120.635 121.223 -0.208 0.000 2.141 532 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 532 L C 1.900 178.720 176.870 -0.084 0.000 1.094 532 L CA 1.191 55.958 54.840 -0.123 0.000 0.763 532 L CB -0.727 41.282 42.059 -0.084 0.000 0.908 532 L HN 0.350 nan 8.230 nan 0.000 0.437 533 N N 0.067 118.711 118.700 -0.093 0.000 2.521 533 N HA -0.004 4.736 4.740 -0.000 0.000 0.188 533 N C 1.389 176.863 175.510 -0.060 0.000 1.146 533 N CA 0.747 53.758 53.050 -0.065 0.000 0.893 533 N CB 0.282 38.731 38.487 -0.062 0.000 0.975 533 N HN 0.269 nan 8.380 nan 0.000 0.451 534 A N -1.037 121.739 122.820 -0.074 0.000 1.943 534 A HA 0.177 4.497 4.320 -0.000 0.000 0.213 534 A C 0.849 178.408 177.584 -0.041 0.000 1.181 534 A CA 0.905 52.909 52.037 -0.056 0.000 0.653 534 A CB -0.603 18.358 19.000 -0.066 0.000 0.833 534 A HN 0.309 nan 8.150 nan 0.000 0.451 535 T N 0.000 114.527 114.554 -0.045 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 535 T CA 0.000 62.080 62.100 -0.033 0.000 1.349 535 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658