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 1dka_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARHHLVRYGG TFEPMIIERA KGSFVYDADG RAILDFTSGQ DATA SEQUENCE MSAVLGHCHP EIVSVIGEYA GKLDHLFSEM LSRPVVDLAT RLANITPPGL DATA SEQUENCE DRALLLSTGA ESNEAAIRMA KLVTGKYEIV GFAQSWHGMT GAAASATYSA DATA SEQUENCE GRKGVGPAAV GSFAIPAPFT YRPRFERNGA YDYLAELDYA FDLIDRQSSG DATA SEQUENCE NLAAFIAEPI LSSGGIIELP DGYMAALKRK CEARGMLLIL DEAQTGVGRT DATA SEQUENCE GTMFACQRDG VTPDILTLSK TLGAGLPLAA IVTSAAIEER AHELGYLFYT DATA SEQUENCE THVSDPLPAA VGLRVLDVVQ RDGLVARANV MGDRLRRGLL DLMERFDCIG DATA SEQUENCE DVRGRGLLLG VEIVKDRRTK EPADGLGAKI TRECMNLGLS MNIVQLPGMG DATA SEQUENCE GVFRIAPPLT VSEDEIDLGL SLLGQAIERA L 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.888 176.870 0.031 0.000 1.165 3 L CA 0.000 54.853 54.840 0.022 0.000 0.813 3 L CB 0.000 42.077 42.059 0.029 0.000 0.961 4 N N 0.057 118.789 118.700 0.052 0.000 2.463 4 N HA -0.010 4.731 4.740 0.001 0.000 0.181 4 N C 0.395 176.066 175.510 0.269 0.000 1.078 4 N CA 0.466 53.577 53.050 0.100 0.000 0.902 4 N CB 0.307 38.850 38.487 0.094 0.000 0.970 4 N HN 0.453 nan 8.380 nan 0.000 0.451 5 D N 0.922 121.424 120.400 0.171 0.000 2.378 5 D HA -0.098 4.543 4.640 0.001 0.000 0.227 5 D C -0.162 176.316 176.300 0.296 0.000 1.012 5 D CA 0.248 54.357 54.000 0.181 0.000 0.905 5 D CB -0.300 40.540 40.800 0.067 0.000 0.895 5 D HN 0.215 nan 8.370 nan 0.000 0.532 6 D N 0.637 121.205 120.400 0.279 0.000 2.518 6 D HA -0.075 4.565 4.640 0.001 0.000 0.270 6 D C 1.282 177.799 176.300 0.362 0.000 1.338 6 D CA 0.038 54.178 54.000 0.234 0.000 0.983 6 D CB 0.559 41.427 40.800 0.114 0.000 1.126 6 D HN 0.016 nan 8.370 nan 0.000 0.543 7 A N 3.521 126.502 122.820 0.268 0.000 1.986 7 A HA -0.213 4.107 4.320 0.001 0.000 0.220 7 A C 2.191 179.907 177.584 0.221 0.000 1.171 7 A CA 1.942 54.131 52.037 0.254 0.000 0.640 7 A CB -0.499 18.597 19.000 0.160 0.000 0.811 7 A HN 0.631 nan 8.150 nan 0.000 0.451 8 T N -1.089 113.571 114.554 0.177 0.000 2.777 8 T HA -0.073 4.277 4.350 0.001 0.000 0.266 8 T C 1.549 176.311 174.700 0.104 0.000 1.040 8 T CA 1.346 63.524 62.100 0.130 0.000 1.141 8 T CB -0.375 68.553 68.868 0.100 0.000 0.868 8 T HN 0.508 nan 8.240 nan 0.000 0.444 9 F N 0.781 120.697 119.950 -0.056 0.000 2.010 9 F HA -0.165 4.362 4.527 0.001 0.000 0.296 9 F C 1.878 177.505 175.800 -0.288 0.000 1.146 9 F CA 1.462 59.316 58.000 -0.244 0.000 1.181 9 F CB -0.633 38.125 39.000 -0.403 0.000 0.965 9 F HN 0.196 nan 8.300 nan 0.000 0.480 10 W N 0.686 122.113 121.300 0.212 0.000 2.341 10 W HA -0.152 4.508 4.660 0.001 0.000 0.283 10 W C 2.748 179.231 176.519 -0.060 0.000 1.215 10 W CA 1.423 58.807 57.345 0.064 0.000 1.211 10 W CB -0.553 28.993 29.460 0.144 0.000 1.131 10 W HN 0.020 nan 8.180 nan 0.000 0.552 11 R N 0.746 121.327 120.500 0.135 0.000 2.062 11 R HA -0.163 4.178 4.340 0.001 0.000 0.231 11 R C 1.820 178.121 176.300 0.002 0.000 1.136 11 R CA 1.736 57.867 56.100 0.053 0.000 0.948 11 R CB -0.648 29.730 30.300 0.130 0.000 0.845 11 R HN 0.112 nan 8.270 nan 0.000 0.430 12 N N 0.571 119.277 118.700 0.010 0.000 2.223 12 N HA -0.135 4.605 4.740 0.001 0.000 0.185 12 N C 1.464 176.942 175.510 -0.055 0.000 1.016 12 N CA 1.408 54.492 53.050 0.056 0.000 0.863 12 N CB -0.233 38.250 38.487 -0.007 0.000 0.983 12 N HN 0.323 nan 8.380 nan 0.000 0.429 13 A N 0.617 123.292 122.820 -0.242 0.000 1.930 13 A HA -0.009 4.311 4.320 0.001 0.000 0.215 13 A C 2.261 179.805 177.584 -0.066 0.000 1.176 13 A CA 0.806 52.693 52.037 -0.251 0.000 0.632 13 A CB -0.276 18.449 19.000 -0.459 0.000 0.819 13 A HN 0.144 nan 8.150 nan 0.000 0.445 14 R N -1.519 118.934 120.500 -0.077 0.000 2.115 14 R HA -0.081 4.259 4.340 0.001 0.000 0.226 14 R C 1.715 177.893 176.300 -0.203 0.000 1.100 14 R CA 1.416 57.450 56.100 -0.110 0.000 0.980 14 R CB -0.220 29.967 30.300 -0.189 0.000 0.875 14 R HN 0.774 nan 8.270 nan 0.000 0.445 15 H N -2.385 116.576 119.070 -0.182 0.000 2.525 15 H HA 0.077 4.633 4.556 0.001 0.000 0.275 15 H C 0.714 175.723 175.328 -0.531 0.000 0.984 15 H CA 0.641 56.445 56.048 -0.406 0.000 1.264 15 H CB 0.517 29.863 29.762 -0.693 0.000 1.432 15 H HN 0.229 nan 8.280 nan 0.000 0.549 16 H N -0.824 118.313 119.070 0.112 0.000 2.916 16 H HA 0.263 4.820 4.556 0.001 0.000 0.262 16 H C -0.367 174.989 175.328 0.047 0.000 1.178 16 H CA 0.028 56.112 56.048 0.060 0.000 1.090 16 H CB 1.032 30.805 29.762 0.019 0.000 1.657 16 H HN 0.140 nan 8.280 nan 0.000 0.601 17 L N 1.239 122.551 121.223 0.148 0.000 2.334 17 L HA 0.403 4.743 4.340 0.001 0.000 0.276 17 L C 0.132 177.130 176.870 0.212 0.000 1.014 17 L CA -1.020 53.925 54.840 0.175 0.000 0.815 17 L CB 2.741 44.902 42.059 0.171 0.000 1.268 17 L HN -0.204 nan 8.230 nan 0.000 0.428 18 V N 2.805 122.863 119.914 0.241 0.000 2.546 18 V HA 0.287 4.407 4.120 0.001 0.000 0.284 18 V C 0.297 176.557 176.094 0.278 0.000 1.050 18 V CA -0.451 61.982 62.300 0.221 0.000 0.981 18 V CB 1.471 33.425 31.823 0.217 0.000 0.990 18 V HN 0.661 nan 8.190 nan 0.000 0.474 19 R N 3.490 124.059 120.500 0.114 0.000 2.254 19 R HA 0.316 4.656 4.340 0.001 0.000 0.318 19 R C -0.392 175.881 176.300 -0.046 0.000 1.031 19 R CA -0.211 55.822 56.100 -0.111 0.000 0.905 19 R CB 0.559 30.746 30.300 -0.188 0.000 1.050 19 R HN 0.845 nan 8.270 nan 0.000 0.456 20 Y N -0.464 119.825 120.300 -0.018 0.000 2.682 20 Y HA 0.546 5.097 4.550 0.001 0.000 0.251 20 Y C 0.333 176.226 175.900 -0.012 0.000 1.172 20 Y CA -0.637 57.471 58.100 0.014 0.000 1.186 20 Y CB 0.777 39.278 38.460 0.068 0.000 1.216 20 Y HN 0.680 nan 8.280 nan 0.000 0.540 21 G N -0.591 108.069 108.800 -0.233 0.000 2.764 21 G HA2 0.458 4.418 3.960 0.001 0.000 0.678 21 G HA3 0.458 4.418 3.960 0.001 0.000 0.678 21 G C -0.121 174.620 174.900 -0.266 0.000 1.341 21 G CA -0.441 44.569 45.100 -0.150 0.000 0.836 21 G HN 1.379 nan 8.290 nan 0.000 0.632 22 G N -0.445 108.231 108.800 -0.206 0.000 2.527 22 G HA2 0.460 4.421 3.960 0.001 0.000 0.227 22 G HA3 0.460 4.421 3.960 0.001 0.000 0.227 22 G C 0.445 175.169 174.900 -0.294 0.000 1.291 22 G CA 1.065 46.041 45.100 -0.207 0.000 0.904 22 G HN 2.983 nan 8.290 nan 0.000 0.577 23 T N -1.267 113.122 114.554 -0.275 0.000 3.395 23 T HA 0.557 4.907 4.350 0.001 0.000 0.330 23 T C -0.368 174.243 174.700 -0.149 0.000 1.076 23 T CA -0.328 61.600 62.100 -0.286 0.000 1.070 23 T CB 0.375 69.152 68.868 -0.151 0.000 1.119 23 T HN 1.212 nan 8.240 nan 0.000 0.462 24 F N 2.758 122.709 119.950 0.002 0.000 2.629 24 F HA 0.306 4.834 4.527 0.001 0.000 0.377 24 F C 1.326 177.194 175.800 0.113 0.000 1.101 24 F CA -0.171 57.886 58.000 0.096 0.000 1.301 24 F CB 0.084 39.211 39.000 0.211 0.000 1.062 24 F HN 0.630 nan 8.300 nan 0.000 0.583 25 E N 4.526 124.941 120.200 0.357 0.000 2.418 25 E HA 0.087 4.437 4.350 0.001 0.000 0.261 25 E C -1.934 174.820 176.600 0.257 0.000 1.070 25 E CA -1.172 55.365 56.400 0.229 0.000 0.931 25 E CB 0.330 30.153 29.700 0.204 0.000 0.954 25 E HN 0.166 nan 8.360 nan 0.000 0.439 26 P HA 0.114 nan 4.420 nan 0.000 0.220 26 P C -0.998 176.349 177.300 0.079 0.000 1.793 26 P CA 0.265 63.315 63.100 -0.082 0.000 0.917 26 P CB -0.477 31.125 31.700 -0.162 0.000 1.755 27 M N -1.577 118.221 119.600 0.331 0.000 2.755 27 M HA 0.573 5.054 4.480 0.001 0.000 0.273 27 M C -1.314 175.143 176.300 0.262 0.000 1.278 27 M CA -1.377 54.091 55.300 0.280 0.000 0.819 27 M CB 2.084 34.761 32.600 0.129 0.000 1.694 27 M HN -0.360 nan 8.290 nan 0.000 0.460 28 I N 2.550 123.133 120.570 0.022 0.000 2.382 28 I HA 0.358 4.528 4.170 0.001 0.000 0.286 28 I C -0.918 175.139 176.117 -0.101 0.000 1.002 28 I CA -0.937 60.230 61.300 -0.222 0.000 1.135 28 I CB 1.751 39.415 38.000 -0.561 0.000 1.288 28 I HN 0.520 nan 8.210 nan 0.000 0.448 29 I N 5.911 126.450 120.570 -0.052 0.000 2.379 29 I HA 0.093 4.264 4.170 0.001 0.000 0.290 29 I C 1.117 177.221 176.117 -0.020 0.000 1.063 29 I CA 0.331 61.624 61.300 -0.012 0.000 1.351 29 I CB 0.793 38.796 38.000 0.005 0.000 1.410 29 I HN 0.663 nan 8.210 nan 0.000 0.505 30 E N 5.954 126.157 120.200 0.005 0.000 2.166 30 E HA 0.084 4.435 4.350 0.001 0.000 0.192 30 E C 0.458 177.078 176.600 0.033 0.000 0.967 30 E CA 0.577 56.978 56.400 0.002 0.000 0.840 30 E CB 0.577 30.272 29.700 -0.009 0.000 0.795 30 E HN 0.658 nan 8.360 nan 0.000 0.470 31 R N -1.538 119.016 120.500 0.090 0.000 2.752 31 R HA 0.779 5.119 4.340 0.001 0.000 0.271 31 R C -1.750 174.662 176.300 0.187 0.000 1.026 31 R CA -0.752 55.416 56.100 0.114 0.000 0.901 31 R CB 1.198 31.547 30.300 0.081 0.000 1.243 31 R HN -0.038 nan 8.270 nan 0.000 0.463 32 A N 1.316 124.216 122.820 0.133 0.000 2.486 32 A HA 0.717 5.037 4.320 0.001 0.000 0.300 32 A C -1.525 176.158 177.584 0.165 0.000 1.048 32 A CA -0.745 51.306 52.037 0.023 0.000 0.696 32 A CB 2.113 20.909 19.000 -0.341 0.000 1.278 32 A HN 0.821 nan 8.150 nan 0.000 0.405 33 K N 1.612 122.160 120.400 0.245 0.000 2.575 33 K HA 0.541 4.861 4.320 0.001 0.000 0.255 33 K C 0.459 177.247 176.600 0.314 0.000 0.953 33 K CA 0.464 56.926 56.287 0.291 0.000 0.840 33 K CB 1.282 33.951 32.500 0.281 0.000 1.303 33 K HN 2.510 nan 8.250 nan 0.000 0.438 34 G N 2.092 111.046 108.800 0.257 0.000 2.583 34 G HA2 -0.332 3.629 3.960 0.001 0.000 0.292 34 G HA3 -0.332 3.629 3.960 0.001 0.000 0.292 34 G C 0.350 175.365 174.900 0.192 0.000 1.203 34 G CA 0.328 45.549 45.100 0.203 0.000 0.987 34 G HN 0.729 nan 8.290 nan 0.000 0.554 35 S N 0.664 116.392 115.700 0.047 0.000 2.671 35 S HA 0.518 4.989 4.470 0.001 0.000 0.220 35 S C -0.039 174.301 174.600 -0.433 0.000 0.951 35 S CA 0.509 58.601 58.200 -0.181 0.000 0.932 35 S CB -0.157 62.833 63.200 -0.349 0.000 0.777 35 S HN 0.422 nan 8.310 nan 0.000 0.508 36 F N 0.979 120.946 119.950 0.028 0.000 2.577 36 F HA 0.624 5.151 4.527 0.000 0.000 0.318 36 F C -0.113 175.432 175.800 -0.425 0.000 1.065 36 F CA -1.381 56.483 58.000 -0.227 0.000 0.929 36 F CB 1.565 40.303 39.000 -0.437 0.000 1.237 36 F HN -0.115 nan 8.300 nan 0.000 0.468 37 V N -0.595 119.125 119.914 -0.323 0.000 2.715 37 V HA 0.663 4.784 4.120 0.001 0.000 0.310 37 V C -1.724 174.038 176.094 -0.553 0.000 1.054 37 V CA -1.081 60.990 62.300 -0.382 0.000 0.928 37 V CB 1.714 33.392 31.823 -0.241 0.000 1.007 37 V HN 0.638 nan 8.190 nan 0.000 0.437 38 Y N 1.780 122.078 120.300 -0.004 0.000 2.376 38 Y HA 0.606 5.156 4.550 0.001 0.000 0.340 38 Y C 0.183 176.071 175.900 -0.021 0.000 0.965 38 Y CA -0.851 57.244 58.100 -0.008 0.000 1.078 38 Y CB 1.499 39.945 38.460 -0.024 0.000 1.193 38 Y HN 0.978 nan 8.280 nan 0.000 0.452 39 D N 0.996 121.471 120.400 0.125 0.000 2.414 39 D HA 0.259 4.900 4.640 0.001 0.000 0.259 39 D C 1.164 177.488 176.300 0.040 0.000 1.269 39 D CA -0.169 53.867 54.000 0.059 0.000 1.028 39 D CB 0.620 41.444 40.800 0.041 0.000 1.093 39 D HN 0.547 nan 8.370 nan 0.000 0.545 40 A N -0.393 122.423 122.820 -0.008 0.000 2.070 40 A HA -0.155 4.165 4.320 0.001 0.000 0.220 40 A C 1.447 179.025 177.584 -0.011 0.000 1.159 40 A CA 1.416 53.433 52.037 -0.033 0.000 0.656 40 A CB -0.554 18.398 19.000 -0.079 0.000 0.800 40 A HN 0.545 nan 8.150 nan 0.000 0.453 41 D N -1.497 118.907 120.400 0.007 0.000 2.340 41 D HA 0.256 4.897 4.640 0.001 0.000 0.220 41 D C 1.415 177.723 176.300 0.013 0.000 1.039 41 D CA 1.056 55.060 54.000 0.007 0.000 0.866 41 D CB 0.187 40.994 40.800 0.011 0.000 0.913 41 D HN 0.569 nan 8.370 nan 0.000 0.523 42 G N 1.518 110.338 108.800 0.033 0.000 2.176 42 G HA2 -0.328 3.633 3.960 0.001 0.000 0.253 42 G HA3 -0.328 3.633 3.960 0.001 0.000 0.253 42 G C 0.558 175.528 174.900 0.116 0.000 0.979 42 G CA -0.055 45.066 45.100 0.033 0.000 0.641 42 G HN 0.372 nan 8.290 nan 0.000 0.530 43 R N 0.884 121.452 120.500 0.112 0.000 2.442 43 R HA 0.564 4.904 4.340 0.001 0.000 0.291 43 R C 0.603 176.995 176.300 0.153 0.000 1.069 43 R CA 0.480 56.641 56.100 0.102 0.000 1.022 43 R CB 0.326 30.654 30.300 0.047 0.000 0.976 43 R HN 0.573 nan 8.270 nan 0.000 0.443 44 A N 6.028 128.902 122.820 0.089 0.000 2.252 44 A HA 0.355 4.676 4.320 0.001 0.000 0.309 44 A C -0.449 177.116 177.584 -0.032 0.000 1.285 44 A CA -0.629 51.330 52.037 -0.131 0.000 0.900 44 A CB 0.269 19.117 19.000 -0.253 0.000 1.157 44 A HN 0.689 nan 8.150 nan 0.000 0.536 45 I N 2.649 123.200 120.570 -0.032 0.000 2.331 45 I HA 0.214 4.384 4.170 0.001 0.000 0.292 45 I C 0.004 176.204 176.117 0.139 0.000 0.998 45 I CA -0.425 60.903 61.300 0.045 0.000 1.267 45 I CB 1.626 39.619 38.000 -0.013 0.000 1.386 45 I HN 0.652 nan 8.210 nan 0.000 0.476 46 L N 6.599 127.878 121.223 0.094 0.000 2.369 46 L HA 0.231 4.571 4.340 0.001 0.000 0.279 46 L C 0.101 176.875 176.870 -0.159 0.000 1.108 46 L CA 0.230 54.938 54.840 -0.220 0.000 0.852 46 L CB 0.208 42.111 42.059 -0.259 0.000 1.169 46 L HN 0.480 nan 8.230 nan 0.000 0.452 47 D N 4.509 124.824 120.400 -0.141 0.000 2.508 47 D HA 0.004 4.644 4.640 0.001 0.000 0.224 47 D C 0.523 176.922 176.300 0.165 0.000 1.171 47 D CA 0.032 54.055 54.000 0.038 0.000 1.006 47 D CB -0.016 40.850 40.800 0.111 0.000 1.073 47 D HN 0.478 nan 8.370 nan 0.000 0.513 48 F N 1.027 120.932 119.950 -0.076 0.000 2.816 48 F HA 0.005 4.532 4.527 0.000 0.000 0.302 48 F C 2.074 177.854 175.800 -0.034 0.000 1.178 48 F CA 0.534 58.494 58.000 -0.066 0.000 1.421 48 F CB -0.191 38.770 39.000 -0.066 0.000 1.114 48 F HN 0.292 nan 8.300 nan 0.000 0.573 49 T N -5.680 108.941 114.554 0.112 0.000 3.145 49 T HA 0.148 4.498 4.350 0.001 0.000 0.281 49 T C 0.922 175.629 174.700 0.012 0.000 1.003 49 T CA 0.396 62.524 62.100 0.046 0.000 0.901 49 T CB -0.188 68.717 68.868 0.063 0.000 1.112 49 T HN -0.070 nan 8.240 nan 0.000 0.535 50 S N 0.776 116.478 115.700 0.003 0.000 3.533 50 S HA -0.023 4.447 4.470 0.001 0.000 0.347 50 S C 1.409 175.995 174.600 -0.024 0.000 1.101 50 S CA 1.234 59.405 58.200 -0.047 0.000 1.009 50 S CB -1.834 61.316 63.200 -0.083 0.000 0.916 50 S HN 1.946 nan 8.310 nan 0.000 0.496 51 G N 0.655 109.494 108.800 0.066 0.000 2.503 51 G HA2 -0.258 3.703 3.960 0.001 0.000 0.235 51 G HA3 -0.258 3.703 3.960 0.001 0.000 0.235 51 G C -0.393 174.548 174.900 0.068 0.000 1.179 51 G CA 0.336 45.500 45.100 0.106 0.000 0.944 51 G HN 0.692 nan 8.290 nan 0.000 0.580 52 Q N 1.517 121.353 119.800 0.061 0.000 3.247 52 Q HA 0.537 4.878 4.340 0.001 0.000 0.326 52 Q C 1.222 177.234 176.000 0.021 0.000 1.402 52 Q CA 0.456 56.285 55.803 0.044 0.000 0.994 52 Q CB -0.974 27.798 28.738 0.057 0.000 1.647 52 Q HN 0.743 nan 8.270 nan 0.000 0.523 53 M N -0.412 119.191 119.600 0.005 0.000 2.206 53 M HA -0.298 4.183 4.480 0.001 0.000 0.197 53 M C -0.279 176.016 176.300 -0.009 0.000 0.375 53 M CA 0.958 56.252 55.300 -0.009 0.000 0.410 53 M CB -3.046 29.548 32.600 -0.010 0.000 1.204 53 M HN 0.388 nan 8.290 nan 0.000 0.932 54 S N -0.925 114.763 115.700 -0.020 0.000 2.930 54 S HA 0.369 4.840 4.470 0.001 0.000 0.253 54 S C 1.138 175.704 174.600 -0.057 0.000 1.083 54 S CA 0.275 58.461 58.200 -0.023 0.000 0.836 54 S CB 0.560 63.757 63.200 -0.004 0.000 0.814 54 S HN 0.749 nan 8.310 nan 0.000 0.467 55 A N 2.393 125.151 122.820 -0.104 0.000 3.110 55 A HA 0.286 4.607 4.320 0.001 0.000 0.265 55 A C 1.362 178.867 177.584 -0.131 0.000 1.962 55 A CA 0.030 51.968 52.037 -0.164 0.000 1.493 55 A CB -1.118 17.661 19.000 -0.368 0.000 0.941 55 A HN 0.246 nan 8.150 nan 0.000 0.610 56 V N 0.778 120.637 119.914 -0.092 0.000 2.469 56 V HA -0.208 3.913 4.120 0.001 0.000 0.251 56 V C 1.865 177.914 176.094 -0.075 0.000 1.064 56 V CA 2.131 64.383 62.300 -0.081 0.000 1.066 56 V CB -0.240 31.541 31.823 -0.071 0.000 0.667 56 V HN 0.814 nan 8.190 nan 0.000 0.461 57 L N -0.723 120.456 121.223 -0.074 0.000 2.769 57 L HA 0.472 4.813 4.340 0.001 0.000 0.240 57 L C 0.931 177.840 176.870 0.065 0.000 1.163 57 L CA 0.398 55.219 54.840 -0.032 0.000 0.962 57 L CB -0.308 41.655 42.059 -0.160 0.000 1.258 57 L HN 0.481 nan 8.230 nan 0.000 0.513 58 G N -0.036 108.743 108.800 -0.036 0.000 2.796 58 G HA2 -0.196 3.764 3.960 0.001 0.000 0.571 58 G HA3 -0.196 3.764 3.960 0.001 0.000 0.571 58 G C -0.581 174.267 174.900 -0.086 0.000 1.370 58 G CA -0.846 44.220 45.100 -0.058 0.000 0.856 58 G HN 0.265 nan 8.290 nan 0.000 0.538 59 H N -0.842 118.276 119.070 0.080 0.000 2.580 59 H HA 0.348 4.905 4.556 0.000 0.000 0.322 59 H C 1.254 176.645 175.328 0.104 0.000 1.082 59 H CA 0.746 56.846 56.048 0.087 0.000 1.383 59 H CB 0.644 30.456 29.762 0.083 0.000 1.450 59 H HN 1.286 nan 8.280 nan 0.000 0.505 60 C N 3.020 122.449 119.300 0.216 0.000 4.209 60 C HA -0.184 4.276 4.460 0.001 0.000 0.305 60 C C 1.004 176.084 174.990 0.150 0.000 1.339 60 C CA 0.137 59.254 59.018 0.165 0.000 2.062 60 C CB -2.985 24.845 27.740 0.150 0.000 1.307 60 C HN 0.794 nan 8.230 nan 0.000 0.706 61 H N 2.707 121.816 119.070 0.066 0.000 2.899 61 H HA 0.131 4.688 4.556 0.000 0.000 0.303 61 H C -0.775 174.582 175.328 0.047 0.000 1.042 61 H CA -0.684 55.394 56.048 0.050 0.000 1.479 61 H CB 1.239 31.018 29.762 0.028 0.000 1.493 61 H HN 0.275 nan 8.280 nan 0.000 0.534 62 P HA -0.204 nan 4.420 nan 0.000 0.219 62 P C 0.743 178.143 177.300 0.166 0.000 1.145 62 P CA 1.297 64.428 63.100 0.052 0.000 0.813 62 P CB 0.389 32.065 31.700 -0.040 0.000 0.771 63 E N -1.162 119.254 120.200 0.361 0.000 2.250 63 E HA -0.008 4.342 4.350 0.001 0.000 0.192 63 E C 2.009 178.694 176.600 0.142 0.000 0.986 63 E CA 0.433 56.961 56.400 0.214 0.000 0.849 63 E CB -0.265 29.541 29.700 0.176 0.000 0.797 63 E HN 0.251 nan 8.360 nan 0.000 0.482 64 I N 1.187 121.851 120.570 0.156 0.000 2.252 64 I HA -0.173 3.998 4.170 0.001 0.000 0.245 64 I C 2.514 178.689 176.117 0.098 0.000 1.102 64 I CA 0.762 62.116 61.300 0.091 0.000 1.385 64 I CB -1.219 36.828 38.000 0.079 0.000 1.064 64 I HN -0.093 nan 8.210 nan 0.000 0.414 65 V N 0.797 120.777 119.914 0.111 0.000 2.343 65 V HA -0.251 3.870 4.120 0.001 0.000 0.247 65 V C 2.582 178.728 176.094 0.087 0.000 1.051 65 V CA 1.944 64.298 62.300 0.090 0.000 1.036 65 V CB -0.863 31.008 31.823 0.080 0.000 0.654 65 V HN 0.376 nan 8.190 nan 0.000 0.451 66 S N -0.275 115.480 115.700 0.092 0.000 2.343 66 S HA -0.209 4.261 4.470 0.001 0.000 0.219 66 S C 2.035 176.702 174.600 0.111 0.000 1.033 66 S CA 1.553 59.804 58.200 0.085 0.000 1.014 66 S CB -0.569 62.680 63.200 0.083 0.000 0.915 66 S HN 0.338 nan 8.310 nan 0.000 0.435 67 V N 2.545 122.539 119.914 0.133 0.000 2.324 67 V HA -0.193 3.928 4.120 0.001 0.000 0.250 67 V C 1.973 178.216 176.094 0.249 0.000 1.060 67 V CA 1.704 64.127 62.300 0.205 0.000 1.042 67 V CB -0.566 31.345 31.823 0.146 0.000 0.650 67 V HN 0.482 nan 8.190 nan 0.000 0.450 68 I N -0.069 120.591 120.570 0.149 0.000 2.361 68 I HA -0.129 4.041 4.170 0.001 0.000 0.251 68 I C 2.473 178.674 176.117 0.140 0.000 1.133 68 I CA 1.419 62.800 61.300 0.135 0.000 1.413 68 I CB -1.044 37.008 38.000 0.086 0.000 1.073 68 I HN 0.441 nan 8.210 nan 0.000 0.424 69 G N 0.442 109.310 108.800 0.112 0.000 2.404 69 G HA2 -0.201 3.759 3.960 0.001 0.000 0.214 69 G HA3 -0.201 3.759 3.960 0.001 0.000 0.214 69 G C 1.500 176.431 174.900 0.052 0.000 1.189 69 G CA 0.351 45.495 45.100 0.074 0.000 0.789 69 G HN 0.343 nan 8.290 nan 0.000 0.533 70 E N -0.588 119.636 120.200 0.040 0.000 2.147 70 E HA -0.191 4.160 4.350 0.001 0.000 0.199 70 E C 2.121 178.552 176.600 -0.282 0.000 1.005 70 E CA 1.281 57.606 56.400 -0.126 0.000 0.810 70 E CB -0.181 29.400 29.700 -0.199 0.000 0.736 70 E HN 0.667 nan 8.360 nan 0.000 0.460 71 Y N -0.709 119.606 120.300 0.025 0.000 2.397 71 Y HA 0.085 4.636 4.550 0.002 0.000 0.292 71 Y C 2.194 178.112 175.900 0.031 0.000 1.115 71 Y CA 0.549 58.666 58.100 0.027 0.000 1.208 71 Y CB -0.158 38.319 38.460 0.028 0.000 1.046 71 Y HN 0.025 nan 8.280 nan 0.000 0.552 72 A N 0.143 123.061 122.820 0.163 0.000 1.940 72 A HA -0.155 4.165 4.320 0.001 0.000 0.219 72 A C 2.400 180.026 177.584 0.071 0.000 1.176 72 A CA 1.939 54.041 52.037 0.109 0.000 0.631 72 A CB -1.345 17.703 19.000 0.080 0.000 0.814 72 A HN 0.450 nan 8.150 nan 0.000 0.446 73 G N -1.638 107.183 108.800 0.035 0.000 2.985 73 G HA2 0.103 4.063 3.960 0.001 0.000 0.209 73 G HA3 0.103 4.063 3.960 0.001 0.000 0.209 73 G C 1.317 176.212 174.900 -0.007 0.000 1.165 73 G CA 0.899 46.005 45.100 0.011 0.000 0.776 73 G HN 0.556 nan 8.290 nan 0.000 0.541 74 K N -0.932 119.457 120.400 -0.019 0.000 2.354 74 K HA 0.395 4.716 4.320 0.001 0.000 0.210 74 K C -0.256 176.364 176.600 0.032 0.000 1.184 74 K CA -0.117 56.145 56.287 -0.041 0.000 0.880 74 K CB 0.393 32.785 32.500 -0.180 0.000 1.328 74 K HN 0.145 nan 8.250 nan 0.000 0.466 75 L N 2.460 123.752 121.223 0.116 0.000 2.482 75 L HA 0.213 4.553 4.340 0.001 0.000 0.269 75 L C -0.805 176.185 176.870 0.200 0.000 0.967 75 L CA -0.532 54.409 54.840 0.170 0.000 0.851 75 L CB 1.904 44.106 42.059 0.237 0.000 1.242 75 L HN 0.378 nan 8.230 nan 0.000 0.404 76 D N 0.681 121.174 120.400 0.155 0.000 3.032 76 D HA 0.048 4.688 4.640 0.001 0.000 0.280 76 D C 0.238 176.658 176.300 0.200 0.000 1.381 76 D CA 0.517 54.618 54.000 0.168 0.000 1.068 76 D CB 0.188 41.080 40.800 0.153 0.000 1.148 76 D HN 0.470 nan 8.370 nan 0.000 0.401 77 H N -0.619 118.509 119.070 0.097 0.000 2.717 77 H HA 0.683 5.239 4.556 0.001 0.000 0.366 77 H C -1.368 174.015 175.328 0.091 0.000 1.132 77 H CA -0.836 55.275 56.048 0.105 0.000 1.180 77 H CB 1.445 31.290 29.762 0.139 0.000 1.678 77 H HN 0.069 nan 8.280 nan 0.000 0.537 78 L N 3.448 124.347 121.223 -0.540 0.000 2.283 78 L HA 0.365 4.705 4.340 0.001 0.000 0.259 78 L C -0.477 176.159 176.870 -0.391 0.000 1.027 78 L CA -1.420 53.217 54.840 -0.339 0.000 0.828 78 L CB 1.565 43.556 42.059 -0.113 0.000 1.380 78 L HN 0.572 nan 8.230 nan 0.000 0.425 79 F N 0.313 120.118 119.950 -0.242 0.000 2.572 79 F HA -0.002 4.525 4.527 0.000 0.000 0.370 79 F C 1.419 177.139 175.800 -0.132 0.000 1.103 79 F CA 0.140 58.059 58.000 -0.134 0.000 1.286 79 F CB 0.974 39.953 39.000 -0.035 0.000 1.105 79 F HN 0.470 nan 8.300 nan 0.000 0.583 80 S N 2.974 118.188 115.700 -0.809 0.000 2.488 80 S HA -0.191 4.280 4.470 0.001 0.000 0.246 80 S C 1.365 175.601 174.600 -0.606 0.000 0.992 80 S CA 1.649 59.381 58.200 -0.780 0.000 0.963 80 S CB -0.426 62.109 63.200 -1.109 0.000 0.754 80 S HN 0.781 nan 8.310 nan 0.000 0.519 81 E N -0.072 119.748 120.200 -0.633 0.000 2.460 81 E HA 0.203 4.553 4.350 0.001 0.000 0.200 81 E C -0.090 176.521 176.600 0.018 0.000 1.011 81 E CA -0.020 56.282 56.400 -0.164 0.000 0.912 81 E CB 0.172 29.900 29.700 0.047 0.000 0.953 81 E HN 0.492 nan 8.360 nan 0.000 0.494 82 M N 2.172 121.801 119.600 0.048 0.000 2.156 82 M HA 0.206 4.687 4.480 0.001 0.000 0.345 82 M C -0.305 176.000 176.300 0.010 0.000 1.398 82 M CA 0.061 55.409 55.300 0.080 0.000 1.148 82 M CB 0.708 33.385 32.600 0.127 0.000 1.663 82 M HN -0.030 nan 8.290 nan 0.000 0.464 83 L N 2.347 123.579 121.223 0.014 0.000 2.421 83 L HA 0.543 4.884 4.340 0.001 0.000 0.263 83 L C 0.506 177.383 176.870 0.012 0.000 1.122 83 L CA -0.188 54.652 54.840 -0.000 0.000 0.804 83 L CB 1.556 43.616 42.059 0.001 0.000 1.150 83 L HN 0.806 nan 8.230 nan 0.000 0.457 84 S N 0.618 116.323 115.700 0.009 0.000 2.720 84 S HA 0.467 4.938 4.470 0.001 0.000 0.287 84 S C 0.438 175.052 174.600 0.024 0.000 1.168 84 S CA -0.960 57.255 58.200 0.024 0.000 0.832 84 S CB 1.833 65.054 63.200 0.035 0.000 1.166 84 S HN 0.561 nan 8.310 nan 0.000 0.493 85 R N 0.625 121.150 120.500 0.042 0.000 2.073 85 R HA 0.067 4.407 4.340 0.001 0.000 0.234 85 R C -0.928 175.386 176.300 0.024 0.000 1.134 85 R CA 1.844 57.969 56.100 0.041 0.000 0.952 85 R CB -1.428 28.910 30.300 0.064 0.000 0.850 85 R HN 0.563 nan 8.270 nan 0.000 0.433 86 P HA -0.083 nan 4.420 nan 0.000 0.218 86 P C 1.323 178.595 177.300 -0.046 0.000 1.149 86 P CA 0.998 64.070 63.100 -0.048 0.000 0.817 86 P CB 0.033 31.632 31.700 -0.168 0.000 0.785 87 V N -0.094 119.801 119.914 -0.032 0.000 2.270 87 V HA -0.183 3.938 4.120 0.001 0.000 0.245 87 V C 2.607 178.690 176.094 -0.019 0.000 1.043 87 V CA 1.714 63.997 62.300 -0.029 0.000 1.014 87 V CB -1.256 30.551 31.823 -0.026 0.000 0.645 87 V HN -0.060 nan 8.190 nan 0.000 0.447 88 V N 0.442 120.350 119.914 -0.010 0.000 2.392 88 V HA -0.255 3.865 4.120 0.001 0.000 0.249 88 V C 2.224 178.315 176.094 -0.005 0.000 1.059 88 V CA 2.159 64.456 62.300 -0.006 0.000 1.051 88 V CB -0.718 31.105 31.823 -0.001 0.000 0.658 88 V HN 0.587 nan 8.190 nan 0.000 0.455 89 D N -0.453 119.945 120.400 -0.003 0.000 2.149 89 D HA -0.087 4.553 4.640 0.001 0.000 0.201 89 D C 2.073 178.370 176.300 -0.005 0.000 0.972 89 D CA 0.818 54.817 54.000 -0.001 0.000 0.835 89 D CB -0.125 40.678 40.800 0.004 0.000 0.966 89 D HN 0.319 nan 8.370 nan 0.000 0.476 90 L N 0.685 121.899 121.223 -0.014 0.000 2.027 90 L HA -0.123 4.218 4.340 0.001 0.000 0.206 90 L C 2.262 179.128 176.870 -0.006 0.000 1.074 90 L CA 1.180 56.012 54.840 -0.013 0.000 0.745 90 L CB -0.312 41.732 42.059 -0.025 0.000 0.898 90 L HN -0.049 nan 8.230 nan 0.000 0.433 91 A N -0.244 122.569 122.820 -0.011 0.000 1.873 91 A HA -0.275 4.046 4.320 0.001 0.000 0.218 91 A C 2.205 179.784 177.584 -0.008 0.000 1.193 91 A CA 2.721 54.750 52.037 -0.013 0.000 0.629 91 A CB -1.188 17.802 19.000 -0.016 0.000 0.826 91 A HN 0.514 nan 8.150 nan 0.000 0.447 92 T N -0.636 113.915 114.554 -0.005 0.000 2.652 92 T HA -0.193 4.157 4.350 0.001 0.000 0.267 92 T C 2.071 176.775 174.700 0.007 0.000 1.039 92 T CA 1.811 63.911 62.100 -0.001 0.000 1.153 92 T CB -0.300 68.569 68.868 0.001 0.000 0.863 92 T HN 0.520 nan 8.240 nan 0.000 0.428 93 R N 1.177 121.683 120.500 0.011 0.000 2.096 93 R HA -0.006 4.335 4.340 0.001 0.000 0.240 93 R C 2.275 178.598 176.300 0.038 0.000 1.139 93 R CA 1.456 57.569 56.100 0.022 0.000 0.952 93 R CB -1.086 29.226 30.300 0.019 0.000 0.854 93 R HN 0.424 nan 8.270 nan 0.000 0.436 94 L N -0.303 120.940 121.223 0.033 0.000 2.046 94 L HA -0.138 4.202 4.340 0.001 0.000 0.208 94 L C 2.527 179.410 176.870 0.023 0.000 1.077 94 L CA 1.429 56.296 54.840 0.044 0.000 0.747 94 L CB -0.675 41.392 42.059 0.014 0.000 0.896 94 L HN 0.378 nan 8.230 nan 0.000 0.432 95 A N 0.630 123.452 122.820 0.002 0.000 1.883 95 A HA -0.233 4.087 4.320 0.001 0.000 0.217 95 A C 2.002 179.593 177.584 0.011 0.000 1.186 95 A CA 2.111 54.143 52.037 -0.008 0.000 0.624 95 A CB -0.679 18.314 19.000 -0.012 0.000 0.822 95 A HN 0.535 nan 8.150 nan 0.000 0.444 96 N N 0.398 119.112 118.700 0.023 0.000 2.381 96 N HA -0.093 4.647 4.740 0.001 0.000 0.182 96 N C 1.601 177.146 175.510 0.058 0.000 1.025 96 N CA 1.708 54.777 53.050 0.032 0.000 0.888 96 N CB -0.424 38.078 38.487 0.025 0.000 0.965 96 N HN 0.827 nan 8.380 nan 0.000 0.438 97 I N -1.051 119.576 120.570 0.095 0.000 3.783 97 I HA 0.109 4.280 4.170 0.001 0.000 0.310 97 I C 0.565 176.849 176.117 0.279 0.000 1.274 97 I CA -0.067 61.326 61.300 0.154 0.000 1.294 97 I CB -0.255 37.836 38.000 0.152 0.000 1.051 97 I HN -0.168 nan 8.210 nan 0.000 0.435 98 T N -0.331 114.332 114.554 0.183 0.000 2.881 98 T HA 0.503 4.853 4.350 0.001 0.000 0.278 98 T C -2.358 172.376 174.700 0.057 0.000 0.982 98 T CA -1.675 60.479 62.100 0.090 0.000 0.989 98 T CB 0.865 69.626 68.868 -0.178 0.000 1.058 98 T HN -0.094 nan 8.240 nan 0.000 0.529 99 P HA 0.265 nan 4.420 nan 0.000 0.272 99 P C -2.551 174.746 177.300 -0.005 0.000 1.254 99 P CA -1.316 61.798 63.100 0.024 0.000 0.795 99 P CB -1.040 30.671 31.700 0.018 0.000 1.022 100 P HA 0.118 nan 4.420 nan 0.000 0.271 100 P C 0.989 178.276 177.300 -0.022 0.000 1.218 100 P CA 1.003 64.098 63.100 -0.009 0.000 0.780 100 P CB 0.075 31.772 31.700 -0.005 0.000 0.901 101 G N 1.447 110.232 108.800 -0.026 0.000 2.268 101 G HA2 -0.215 3.746 3.960 0.001 0.000 0.240 101 G HA3 -0.215 3.746 3.960 0.001 0.000 0.240 101 G C -0.202 174.668 174.900 -0.050 0.000 1.010 101 G CA -0.313 44.766 45.100 -0.035 0.000 0.618 101 G HN 0.472 nan 8.290 nan 0.000 0.516 102 L N 1.772 122.961 121.223 -0.057 0.000 2.301 102 L HA 0.476 4.816 4.340 0.001 0.000 0.278 102 L C 0.142 176.975 176.870 -0.062 0.000 1.022 102 L CA -0.704 54.090 54.840 -0.077 0.000 0.854 102 L CB 1.216 43.206 42.059 -0.115 0.000 1.226 102 L HN 0.091 nan 8.230 nan 0.000 0.429 103 D N 1.628 121.993 120.400 -0.057 0.000 2.514 103 D HA 0.121 4.762 4.640 0.001 0.000 0.249 103 D C 0.448 176.721 176.300 -0.045 0.000 1.036 103 D CA 0.343 54.316 54.000 -0.045 0.000 0.911 103 D CB 0.930 41.706 40.800 -0.039 0.000 1.145 103 D HN 0.387 nan 8.370 nan 0.000 0.495 104 R N 0.970 121.437 120.500 -0.054 0.000 2.599 104 R HA 0.773 5.113 4.340 0.001 0.000 0.295 104 R C -0.682 175.584 176.300 -0.058 0.000 0.963 104 R CA -0.695 55.374 56.100 -0.051 0.000 0.883 104 R CB 2.454 32.724 30.300 -0.051 0.000 1.171 104 R HN -0.100 nan 8.270 nan 0.000 0.450 105 A N 2.549 125.342 122.820 -0.045 0.000 2.356 105 A HA 0.696 5.016 4.320 0.001 0.000 0.323 105 A C -1.234 176.333 177.584 -0.027 0.000 1.119 105 A CA -0.739 51.272 52.037 -0.043 0.000 0.790 105 A CB 1.440 20.418 19.000 -0.036 0.000 1.273 105 A HN 0.565 nan 8.150 nan 0.000 0.452 106 L N 1.953 123.161 121.223 -0.025 0.000 2.376 106 L HA 0.601 4.942 4.340 0.001 0.000 0.275 106 L C -1.388 175.478 176.870 -0.006 0.000 0.987 106 L CA -0.208 54.632 54.840 -0.001 0.000 0.828 106 L CB 1.323 43.394 42.059 0.019 0.000 1.249 106 L HN 0.602 nan 8.230 nan 0.000 0.409 107 L N 6.646 127.870 121.223 0.003 0.000 2.257 107 L HA 0.513 4.854 4.340 0.001 0.000 0.290 107 L C -0.331 176.555 176.870 0.028 0.000 1.044 107 L CA -0.241 54.602 54.840 0.005 0.000 0.810 107 L CB 1.059 43.114 42.059 -0.006 0.000 1.193 107 L HN 0.675 nan 8.230 nan 0.000 0.425 108 L N 1.030 122.276 121.223 0.038 0.000 2.348 108 L HA 0.527 4.868 4.340 0.001 0.000 0.258 108 L C 0.838 177.747 176.870 0.065 0.000 1.208 108 L CA -0.366 54.520 54.840 0.076 0.000 1.241 108 L CB 1.636 43.752 42.059 0.095 0.000 1.742 108 L HN 0.506 nan 8.230 nan 0.000 0.544 109 S N -2.034 113.716 115.700 0.083 0.000 2.665 109 S HA 0.120 4.590 4.470 0.001 0.000 0.240 109 S C 0.348 174.976 174.600 0.047 0.000 1.081 109 S CA 0.286 58.519 58.200 0.054 0.000 0.887 109 S CB 0.600 63.830 63.200 0.049 0.000 0.805 109 S HN 0.789 nan 8.310 nan 0.000 0.486 110 T N -1.425 113.167 114.554 0.063 0.000 2.907 110 T HA 0.673 5.023 4.350 0.001 0.000 0.290 110 T C 1.287 176.020 174.700 0.056 0.000 1.066 110 T CA -0.082 62.053 62.100 0.057 0.000 1.012 110 T CB 1.313 70.217 68.868 0.060 0.000 1.184 110 T HN 0.029 nan 8.240 nan 0.000 0.522 111 G N 0.295 109.135 108.800 0.065 0.000 2.433 111 G HA2 0.031 3.991 3.960 0.001 0.000 0.216 111 G HA3 0.031 3.991 3.960 0.001 0.000 0.216 111 G C 1.733 176.661 174.900 0.047 0.000 1.186 111 G CA 0.905 46.046 45.100 0.068 0.000 0.779 111 G HN 1.166 nan 8.290 nan 0.000 0.543 112 A N 0.616 123.460 122.820 0.041 0.000 1.933 112 A HA -0.042 4.278 4.320 0.001 0.000 0.218 112 A C 2.154 179.754 177.584 0.027 0.000 1.175 112 A CA 2.087 54.129 52.037 0.009 0.000 0.628 112 A CB -0.445 18.548 19.000 -0.012 0.000 0.814 112 A HN 0.527 nan 8.150 nan 0.000 0.444 113 E N 0.466 120.703 120.200 0.061 0.000 2.051 113 E HA -0.186 4.164 4.350 0.001 0.000 0.192 113 E C 2.223 178.821 176.600 -0.003 0.000 0.991 113 E CA 1.714 58.184 56.400 0.117 0.000 0.799 113 E CB -0.166 29.633 29.700 0.165 0.000 0.748 113 E HN 0.729 nan 8.360 nan 0.000 0.449 114 S N 0.843 116.526 115.700 -0.028 0.000 2.356 114 S HA -0.171 4.300 4.470 0.001 0.000 0.223 114 S C 1.738 176.266 174.600 -0.120 0.000 1.032 114 S CA 1.303 59.445 58.200 -0.097 0.000 1.005 114 S CB -0.553 62.619 63.200 -0.046 0.000 0.867 114 S HN 0.282 nan 8.310 nan 0.000 0.449 115 N N 1.779 120.439 118.700 -0.066 0.000 2.289 115 N HA -0.042 4.698 4.740 0.001 0.000 0.184 115 N C 1.672 177.124 175.510 -0.097 0.000 1.016 115 N CA 1.205 54.204 53.050 -0.085 0.000 0.872 115 N CB -0.360 38.082 38.487 -0.074 0.000 0.973 115 N HN 0.612 nan 8.380 nan 0.000 0.433 116 E N 1.179 121.336 120.200 -0.073 0.000 2.072 116 E HA -0.037 4.313 4.350 0.001 0.000 0.191 116 E C 1.914 178.444 176.600 -0.118 0.000 0.985 116 E CA 0.699 57.091 56.400 -0.013 0.000 0.801 116 E CB -0.149 29.646 29.700 0.158 0.000 0.750 116 E HN 0.317 nan 8.360 nan 0.000 0.452 117 A N 1.585 124.113 122.820 -0.487 0.000 1.969 117 A HA -0.041 4.279 4.320 0.001 0.000 0.218 117 A C 2.383 179.826 177.584 -0.235 0.000 1.169 117 A CA 1.757 53.336 52.037 -0.763 0.000 0.635 117 A CB -0.394 17.894 19.000 -1.185 0.000 0.810 117 A HN 0.261 nan 8.150 nan 0.000 0.445 118 A N -0.008 122.697 122.820 -0.192 0.000 1.854 118 A HA -0.006 4.315 4.320 0.001 0.000 0.214 118 A C 2.040 179.578 177.584 -0.077 0.000 1.192 118 A CA 1.388 53.347 52.037 -0.130 0.000 0.611 118 A CB -0.622 18.305 19.000 -0.122 0.000 0.832 118 A HN 0.428 nan 8.150 nan 0.000 0.442 119 I N -0.148 120.384 120.570 -0.064 0.000 2.423 119 I HA -0.267 3.904 4.170 0.001 0.000 0.254 119 I C 2.644 178.781 176.117 0.033 0.000 1.151 119 I CA 1.674 62.958 61.300 -0.027 0.000 1.421 119 I CB -0.185 37.794 38.000 -0.035 0.000 1.079 119 I HN 0.430 nan 8.210 nan 0.000 0.431 120 R N 1.039 121.590 120.500 0.084 0.000 2.119 120 R HA -0.117 4.224 4.340 0.001 0.000 0.222 120 R C 2.236 178.672 176.300 0.228 0.000 1.088 120 R CA 1.119 57.326 56.100 0.178 0.000 0.984 120 R CB -0.229 30.216 30.300 0.241 0.000 0.884 120 R HN 0.321 nan 8.270 nan 0.000 0.447 121 M N 0.475 120.178 119.600 0.171 0.000 2.132 121 M HA -0.045 4.435 4.480 0.001 0.000 0.263 121 M C 2.130 178.405 176.300 -0.041 0.000 1.065 121 M CA 1.851 57.120 55.300 -0.050 0.000 1.122 121 M CB -0.061 32.305 32.600 -0.391 0.000 1.365 121 M HN 0.314 nan 8.290 nan 0.000 0.411 122 A N 0.810 123.614 122.820 -0.026 0.000 1.898 122 A HA -0.153 4.167 4.320 0.001 0.000 0.216 122 A C 2.033 179.629 177.584 0.019 0.000 1.181 122 A CA 1.566 53.593 52.037 -0.017 0.000 0.620 122 A CB -0.539 18.450 19.000 -0.019 0.000 0.819 122 A HN 0.521 nan 8.150 nan 0.000 0.442 123 K N -0.699 119.730 120.400 0.049 0.000 2.097 123 K HA -0.135 4.186 4.320 0.001 0.000 0.206 123 K C 1.910 178.556 176.600 0.076 0.000 1.049 123 K CA 1.343 57.674 56.287 0.074 0.000 0.933 123 K CB -0.516 32.044 32.500 0.100 0.000 0.717 123 K HN 0.415 nan 8.250 nan 0.000 0.442 124 L N 1.254 122.530 121.223 0.088 0.000 2.005 124 L HA -0.148 4.192 4.340 0.001 0.000 0.207 124 L C 2.245 179.146 176.870 0.052 0.000 1.072 124 L CA 1.360 56.256 54.840 0.093 0.000 0.744 124 L CB -0.419 41.737 42.059 0.161 0.000 0.895 124 L HN -0.144 nan 8.230 nan 0.000 0.433 125 V N -0.304 119.624 119.914 0.023 0.000 2.332 125 V HA -0.305 3.815 4.120 0.001 0.000 0.248 125 V C 2.601 178.699 176.094 0.007 0.000 1.055 125 V CA 2.242 64.543 62.300 0.001 0.000 1.038 125 V CB -1.089 30.715 31.823 -0.031 0.000 0.651 125 V HN 0.785 nan 8.190 nan 0.000 0.450 126 T N -3.129 111.432 114.554 0.012 0.000 2.978 126 T HA 0.228 4.578 4.350 0.001 0.000 0.262 126 T C 1.657 176.370 174.700 0.021 0.000 1.063 126 T CA 1.120 63.227 62.100 0.012 0.000 1.140 126 T CB 0.328 69.201 68.868 0.008 0.000 0.886 126 T HN 0.976 nan 8.240 nan 0.000 0.470 127 G N 1.263 110.086 108.800 0.039 0.000 2.175 127 G HA2 -0.201 3.760 3.960 0.001 0.000 0.244 127 G HA3 -0.201 3.760 3.960 0.001 0.000 0.244 127 G C -0.016 174.928 174.900 0.073 0.000 0.982 127 G CA 0.197 45.328 45.100 0.051 0.000 0.641 127 G HN 0.694 nan 8.290 nan 0.000 0.527 128 K N -1.229 119.207 120.400 0.059 0.000 2.245 128 K HA 0.713 5.033 4.320 0.001 0.000 0.234 128 K C 0.565 177.231 176.600 0.110 0.000 1.021 128 K CA -0.511 55.802 56.287 0.043 0.000 0.898 128 K CB 0.928 33.399 32.500 -0.048 0.000 1.163 128 K HN 0.396 nan 8.250 nan 0.000 0.459 129 Y N -1.906 118.412 120.300 0.029 0.000 2.476 129 Y HA 0.364 4.914 4.550 0.001 0.000 0.261 129 Y C -0.461 175.450 175.900 0.017 0.000 1.077 129 Y CA -0.695 57.416 58.100 0.018 0.000 1.240 129 Y CB 0.243 38.707 38.460 0.007 0.000 1.317 129 Y HN 0.383 nan 8.280 nan 0.000 0.540 130 E N 2.930 122.956 120.200 -0.291 0.000 2.338 130 E HA 0.329 4.680 4.350 0.001 0.000 0.272 130 E C -0.651 175.957 176.600 0.012 0.000 1.029 130 E CA -0.287 56.062 56.400 -0.085 0.000 0.872 130 E CB 1.382 31.075 29.700 -0.010 0.000 1.015 130 E HN 0.167 nan 8.360 nan 0.000 0.417 131 I N 2.989 123.571 120.570 0.020 0.000 2.465 131 I HA 0.305 4.476 4.170 0.001 0.000 0.291 131 I C -0.277 175.806 176.117 -0.056 0.000 1.014 131 I CA -0.895 60.386 61.300 -0.031 0.000 1.093 131 I CB 1.422 39.387 38.000 -0.059 0.000 1.267 131 I HN 0.253 nan 8.210 nan 0.000 0.431 132 V N 4.435 124.221 119.914 -0.214 0.000 2.581 132 V HA 0.954 5.075 4.120 0.001 0.000 0.303 132 V C 0.465 175.992 176.094 -0.945 0.000 1.041 132 V CA -0.359 61.682 62.300 -0.432 0.000 0.907 132 V CB 1.781 33.353 31.823 -0.418 0.000 0.994 132 V HN 1.004 nan 8.190 nan 0.000 0.442 133 G N 1.510 109.847 108.800 -0.772 0.000 2.788 133 G HA2 0.715 4.675 3.960 0.001 0.000 0.293 133 G HA3 0.715 4.675 3.960 0.001 0.000 0.293 133 G C -1.736 172.864 174.900 -0.500 0.000 1.392 133 G CA -0.637 44.056 45.100 -0.679 0.000 0.810 133 G HN 0.288 nan 8.290 nan 0.000 0.508 134 F N 0.317 120.282 119.950 0.025 0.000 2.377 134 F HA 0.543 5.070 4.527 0.001 0.000 0.328 134 F C 1.631 177.386 175.800 -0.075 0.000 1.094 134 F CA -0.089 57.931 58.000 0.033 0.000 1.093 134 F CB 1.908 40.992 39.000 0.139 0.000 1.214 134 F HN 0.533 nan 8.300 nan 0.000 0.518 135 A N 1.367 124.254 122.820 0.111 0.000 2.178 135 A HA -0.110 4.210 4.320 0.001 0.000 0.218 135 A C 1.179 178.867 177.584 0.173 0.000 1.157 135 A CA 1.147 53.186 52.037 0.004 0.000 0.689 135 A CB -0.656 18.349 19.000 0.008 0.000 0.787 135 A HN 0.702 nan 8.150 nan 0.000 0.465 136 Q N 0.339 120.256 119.800 0.195 0.000 2.129 136 Q HA 0.211 4.551 4.340 0.001 0.000 0.274 136 Q C -0.126 175.975 176.000 0.169 0.000 0.854 136 Q CA 0.186 56.077 55.803 0.148 0.000 1.123 136 Q CB -0.445 28.310 28.738 0.027 0.000 1.226 136 Q HN 0.506 nan 8.270 nan 0.000 0.454 137 S N 0.059 115.912 115.700 0.256 0.000 2.624 137 S HA 0.470 4.940 4.470 0.001 0.000 0.263 137 S C -0.509 174.141 174.600 0.083 0.000 1.287 137 S CA -0.561 57.719 58.200 0.132 0.000 0.990 137 S CB 1.259 64.553 63.200 0.157 0.000 0.950 137 S HN 0.538 nan 8.310 nan 0.000 0.561 138 W N 1.533 122.604 121.300 -0.382 0.000 2.835 138 W HA 0.332 4.992 4.660 0.001 0.000 0.326 138 W C -1.188 175.061 176.519 -0.451 0.000 1.024 138 W CA -0.424 56.751 57.345 -0.284 0.000 1.267 138 W CB 1.022 30.401 29.460 -0.136 0.000 1.267 138 W HN 0.948 nan 8.180 nan 0.000 0.412 139 H N 3.210 121.997 119.070 -0.471 0.000 3.233 139 H HA 0.332 4.888 4.556 0.001 0.000 0.263 139 H C 0.976 176.012 175.328 -0.488 0.000 1.168 139 H CA 0.650 56.503 56.048 -0.325 0.000 1.159 139 H CB 1.641 31.311 29.762 -0.153 0.000 1.593 139 H HN 0.542 nan 8.280 nan 0.000 0.580 140 G N 0.606 108.845 108.800 -0.937 0.000 2.357 140 G HA2 -0.126 3.835 3.960 0.001 0.000 0.643 140 G HA3 -0.126 3.835 3.960 0.001 0.000 0.643 140 G C 0.347 174.910 174.900 -0.561 0.000 1.358 140 G CA -0.407 44.350 45.100 -0.571 0.000 0.986 140 G HN -0.041 nan 8.290 nan 0.000 0.620 141 M N 0.482 119.924 119.600 -0.263 0.000 2.476 141 M HA 0.103 4.584 4.480 0.001 0.000 0.262 141 M C 1.934 178.168 176.300 -0.109 0.000 1.111 141 M CA 1.478 56.680 55.300 -0.164 0.000 1.127 141 M CB -0.680 31.912 32.600 -0.014 0.000 1.376 141 M HN 0.944 nan 8.290 nan 0.000 0.465 142 T N -1.114 113.392 114.554 -0.080 0.000 2.898 142 T HA 0.378 4.729 4.350 0.001 0.000 0.301 142 T C 1.532 176.194 174.700 -0.062 0.000 1.049 142 T CA 0.034 62.107 62.100 -0.045 0.000 1.095 142 T CB 1.323 70.188 68.868 -0.005 0.000 0.976 142 T HN 0.412 nan 8.240 nan 0.000 0.539 143 G N 2.136 110.910 108.800 -0.044 0.000 2.913 143 G HA2 -0.349 3.611 3.960 0.001 0.000 0.269 143 G HA3 -0.349 3.611 3.960 0.001 0.000 0.269 143 G C 1.693 176.554 174.900 -0.065 0.000 1.091 143 G CA 1.880 46.951 45.100 -0.048 0.000 0.753 143 G HN 1.452 nan 8.290 nan 0.000 0.776 144 A N 0.136 122.929 122.820 -0.045 0.000 1.970 144 A HA 0.464 4.784 4.320 0.001 0.000 0.216 144 A C 2.820 180.353 177.584 -0.086 0.000 1.170 144 A CA 2.100 54.104 52.037 -0.056 0.000 0.645 144 A CB -0.633 18.352 19.000 -0.024 0.000 0.816 144 A HN 1.341 nan 8.150 nan 0.000 0.447 145 A N 0.021 122.789 122.820 -0.087 0.000 1.933 145 A HA 0.188 4.508 4.320 0.001 0.000 0.218 145 A C 2.416 179.894 177.584 -0.176 0.000 1.175 145 A CA 1.838 53.808 52.037 -0.112 0.000 0.628 145 A CB -0.812 18.124 19.000 -0.107 0.000 0.814 145 A HN 0.970 nan 8.150 nan 0.000 0.444 146 A N -0.666 122.035 122.820 -0.197 0.000 1.969 146 A HA -0.003 4.318 4.320 0.001 0.000 0.218 146 A C 2.328 179.753 177.584 -0.266 0.000 1.169 146 A CA 1.797 53.684 52.037 -0.250 0.000 0.635 146 A CB -0.619 18.265 19.000 -0.194 0.000 0.810 146 A HN 0.430 nan 8.150 nan 0.000 0.445 147 S N -0.417 115.155 115.700 -0.213 0.000 2.453 147 S HA 0.131 4.602 4.470 0.001 0.000 0.231 147 S C 1.788 176.203 174.600 -0.308 0.000 1.005 147 S CA 0.826 58.884 58.200 -0.236 0.000 0.949 147 S CB -0.096 63.018 63.200 -0.144 0.000 0.774 147 S HN 0.748 nan 8.310 nan 0.000 0.510 148 A N 0.901 123.597 122.820 -0.207 0.000 2.308 148 A HA 0.303 4.623 4.320 0.001 0.000 0.217 148 A C 0.689 178.294 177.584 0.034 0.000 1.216 148 A CA -0.052 51.972 52.037 -0.022 0.000 0.864 148 A CB 0.070 19.062 19.000 -0.013 0.000 0.902 148 A HN 0.282 nan 8.150 nan 0.000 0.499 149 T N -0.356 114.007 114.554 -0.319 0.000 2.767 149 T HA 0.454 4.804 4.350 0.001 0.000 0.288 149 T C -0.213 174.228 174.700 -0.431 0.000 0.963 149 T CA 0.241 62.191 62.100 -0.250 0.000 1.019 149 T CB 0.416 69.060 68.868 -0.373 0.000 0.923 149 T HN 0.331 nan 8.240 nan 0.000 0.468 150 Y N 0.308 120.638 120.300 0.049 0.000 2.563 150 Y HA 0.142 4.693 4.550 0.001 0.000 0.250 150 Y C 2.389 178.342 175.900 0.089 0.000 1.126 150 Y CA -0.418 57.720 58.100 0.064 0.000 1.231 150 Y CB 0.265 38.766 38.460 0.069 0.000 1.288 150 Y HN 0.697 nan 8.280 nan 0.000 0.537 151 S N -0.000 115.848 115.700 0.246 0.000 2.406 151 S HA 0.438 4.908 4.470 0.001 0.000 0.228 151 S C 0.922 175.629 174.600 0.178 0.000 1.020 151 S CA 0.579 58.899 58.200 0.201 0.000 0.965 151 S CB 0.097 63.412 63.200 0.192 0.000 0.798 151 S HN 0.214 nan 8.310 nan 0.000 0.488 152 A N -1.153 121.797 122.820 0.216 0.000 2.536 152 A HA 0.667 4.987 4.320 0.001 0.000 0.293 152 A C 0.745 178.415 177.584 0.143 0.000 1.119 152 A CA -0.209 51.936 52.037 0.180 0.000 0.654 152 A CB -0.244 18.881 19.000 0.208 0.000 1.291 152 A HN 1.456 nan 8.150 nan 0.000 0.439 153 G N -0.717 108.149 108.800 0.110 0.000 2.233 153 G HA2 -0.294 3.667 3.960 0.001 0.000 0.270 153 G HA3 -0.294 3.667 3.960 0.001 0.000 0.270 153 G C 0.758 175.658 174.900 -0.000 0.000 1.011 153 G CA 1.352 46.490 45.100 0.063 0.000 0.762 153 G HN 0.988 nan 8.290 nan 0.000 0.511 154 R N -0.279 120.216 120.500 -0.008 0.000 2.200 154 R HA 0.156 4.496 4.340 0.001 0.000 0.208 154 R C 1.420 177.708 176.300 -0.020 0.000 1.033 154 R CA 0.961 57.036 56.100 -0.041 0.000 1.000 154 R CB 0.031 30.312 30.300 -0.032 0.000 0.906 154 R HN 0.487 nan 8.270 nan 0.000 0.462 155 K N -0.979 119.422 120.400 0.002 0.000 2.087 155 K HA 0.292 4.612 4.320 0.001 0.000 0.255 155 K C 0.455 177.056 176.600 0.002 0.000 0.988 155 K CA 0.183 56.473 56.287 0.005 0.000 0.915 155 K CB 1.068 33.577 32.500 0.014 0.000 1.043 155 K HN 0.159 nan 8.250 nan 0.000 0.457 156 G N -0.030 108.771 108.800 0.002 0.000 2.180 156 G HA2 -0.277 3.684 3.960 0.001 0.000 0.263 156 G HA3 -0.277 3.684 3.960 0.001 0.000 0.263 156 G C 0.404 175.303 174.900 -0.002 0.000 0.989 156 G CA 0.761 45.862 45.100 0.001 0.000 0.692 156 G HN 0.492 nan 8.290 nan 0.000 0.526 157 V N -2.976 116.934 119.914 -0.008 0.000 3.006 157 V HA 0.718 4.838 4.120 0.001 0.000 0.357 157 V C 1.142 177.225 176.094 -0.019 0.000 1.377 157 V CA 0.143 62.436 62.300 -0.012 0.000 1.198 157 V CB -0.258 31.557 31.823 -0.014 0.000 1.216 157 V HN 2.183 nan 8.190 nan 0.000 0.520 158 G N 1.126 109.916 108.800 -0.018 0.000 2.710 158 G HA2 -0.012 3.948 3.960 0.001 0.000 0.668 158 G HA3 -0.012 3.948 3.960 0.001 0.000 0.668 158 G C -2.545 172.338 174.900 -0.029 0.000 1.320 158 G CA -0.446 44.641 45.100 -0.022 0.000 0.860 158 G HN 0.511 nan 8.290 nan 0.000 0.538 159 P HA 0.583 nan 4.420 nan 0.000 0.272 159 P C 0.462 177.730 177.300 -0.053 0.000 1.230 159 P CA 0.422 63.499 63.100 -0.039 0.000 0.788 159 P CB 0.660 32.337 31.700 -0.038 0.000 0.949 160 A N 1.316 124.099 122.820 -0.063 0.000 2.240 160 A HA 0.627 4.948 4.320 0.001 0.000 0.292 160 A C 0.213 177.748 177.584 -0.082 0.000 1.121 160 A CA -0.208 51.779 52.037 -0.083 0.000 0.851 160 A CB -0.280 18.660 19.000 -0.099 0.000 1.167 160 A HN 0.634 nan 8.150 nan 0.000 0.503 161 A N -0.375 122.392 122.820 -0.087 0.000 2.445 161 A HA 0.477 4.797 4.320 0.001 0.000 0.242 161 A C 0.345 177.878 177.584 -0.085 0.000 1.075 161 A CA -0.239 51.751 52.037 -0.078 0.000 0.777 161 A CB -0.469 18.491 19.000 -0.066 0.000 1.013 161 A HN 1.214 nan 8.150 nan 0.000 0.493 162 V N 1.355 121.219 119.914 -0.084 0.000 2.740 162 V HA 0.456 4.577 4.120 0.001 0.000 0.303 162 V C 1.538 177.649 176.094 0.029 0.000 1.054 162 V CA 0.922 63.181 62.300 -0.068 0.000 1.106 162 V CB 0.149 31.897 31.823 -0.126 0.000 0.957 162 V HN 2.073 nan 8.190 nan 0.000 0.486 163 G N 3.171 111.947 108.800 -0.040 0.000 2.132 163 G HA2 -0.211 3.749 3.960 0.001 0.000 0.228 163 G HA3 -0.211 3.749 3.960 0.001 0.000 0.228 163 G C 0.122 174.747 174.900 -0.458 0.000 1.000 163 G CA 0.036 45.063 45.100 -0.122 0.000 0.693 163 G HN 0.824 nan 8.290 nan 0.000 0.515 164 S N 0.007 115.386 115.700 -0.535 0.000 2.438 164 S HA 0.821 5.291 4.470 0.001 0.000 0.293 164 S C -0.447 173.788 174.600 -0.608 0.000 1.141 164 S CA -0.267 57.703 58.200 -0.384 0.000 1.080 164 S CB 0.891 64.006 63.200 -0.142 0.000 0.978 164 S HN 0.348 nan 8.310 nan 0.000 0.479 165 F N 0.825 120.774 119.950 -0.002 0.000 2.620 165 F HA 0.811 5.338 4.527 0.001 0.000 0.320 165 F C 0.200 175.859 175.800 -0.236 0.000 1.069 165 F CA -0.996 56.949 58.000 -0.092 0.000 0.953 165 F CB 1.610 40.519 39.000 -0.152 0.000 1.322 165 F HN 0.597 nan 8.300 nan 0.000 0.479 166 A N 1.698 124.425 122.820 -0.155 0.000 2.498 166 A HA 0.910 5.231 4.320 0.001 0.000 0.298 166 A C -1.159 176.288 177.584 -0.228 0.000 1.075 166 A CA -0.713 51.043 52.037 -0.469 0.000 0.714 166 A CB 1.552 19.938 19.000 -1.023 0.000 1.299 166 A HN 0.810 nan 8.150 nan 0.000 0.407 167 I N -1.182 119.319 120.570 -0.116 0.000 2.846 167 I HA 0.778 4.948 4.170 0.001 0.000 0.307 167 I C -2.885 173.364 176.117 0.219 0.000 1.053 167 I CA -3.017 58.318 61.300 0.058 0.000 1.050 167 I CB 2.291 40.357 38.000 0.110 0.000 1.239 167 I HN 0.262 nan 8.210 nan 0.000 0.439 168 P HA 0.243 nan 4.420 nan 0.000 0.274 168 P C -0.738 176.732 177.300 0.284 0.000 1.231 168 P CA -0.205 63.026 63.100 0.219 0.000 0.790 168 P CB 0.808 32.617 31.700 0.181 0.000 0.951 169 A N 3.547 126.417 122.820 0.083 0.000 2.316 169 A HA 0.564 4.884 4.320 0.001 0.000 0.284 169 A C -2.203 175.275 177.584 -0.178 0.000 1.115 169 A CA -1.590 50.242 52.037 -0.343 0.000 0.812 169 A CB -0.653 17.978 19.000 -0.615 0.000 1.064 169 A HN 0.407 nan 8.150 nan 0.000 0.489 170 P HA 0.243 nan 4.420 nan 0.000 0.281 170 P C -1.271 176.082 177.300 0.087 0.000 1.286 170 P CA 0.210 63.251 63.100 -0.098 0.000 0.772 170 P CB 0.191 31.559 31.700 -0.554 0.000 0.862 171 F N 4.194 124.202 119.950 0.095 0.000 2.445 171 F HA 0.244 4.771 4.527 0.001 0.000 0.348 171 F C 1.405 177.238 175.800 0.054 0.000 1.125 171 F CA -1.035 56.977 58.000 0.021 0.000 0.983 171 F CB 1.166 40.149 39.000 -0.028 0.000 1.198 171 F HN 0.269 nan 8.300 nan 0.000 0.436 172 T N 3.119 117.814 114.554 0.234 0.000 2.777 172 T HA -0.207 4.143 4.350 0.001 0.000 0.266 172 T C 1.819 176.386 174.700 -0.222 0.000 1.040 172 T CA 1.415 63.570 62.100 0.092 0.000 1.141 172 T CB -0.887 68.100 68.868 0.198 0.000 0.868 172 T HN 0.579 nan 8.240 nan 0.000 0.444 173 Y N 3.208 123.151 120.300 -0.595 0.000 2.102 173 Y HA -0.021 4.530 4.550 0.001 0.000 0.280 173 Y C 1.205 176.663 175.900 -0.737 0.000 1.178 173 Y CA 1.144 58.845 58.100 -0.664 0.000 1.146 173 Y CB -0.169 37.972 38.460 -0.533 0.000 0.968 173 Y HN 0.225 nan 8.280 nan 0.000 0.504 174 R N 0.749 120.509 120.500 -1.232 0.000 2.564 174 R HA 0.271 4.611 4.340 0.001 0.000 0.282 174 R C -2.718 173.221 176.300 -0.603 0.000 1.573 174 R CA -1.997 53.617 56.100 -0.809 0.000 1.588 174 R CB 0.610 30.544 30.300 -0.611 0.000 1.154 174 R HN 0.078 nan 8.270 nan 0.000 0.606 175 P HA 0.043 nan 4.420 nan 0.000 0.266 175 P C -0.030 176.994 177.300 -0.459 0.000 1.195 175 P CA -0.046 62.564 63.100 -0.818 0.000 0.768 175 P CB 0.967 32.262 31.700 -0.675 0.000 0.838 176 R N 0.413 120.707 120.500 -0.344 0.000 2.612 176 R HA 0.269 4.610 4.340 0.001 0.000 0.260 176 R C -0.342 176.016 176.300 0.095 0.000 0.943 176 R CA -0.155 55.905 56.100 -0.067 0.000 1.036 176 R CB 0.397 30.710 30.300 0.022 0.000 1.520 176 R HN 0.350 nan 8.270 nan 0.000 0.563 177 F N 1.665 121.646 119.950 0.052 0.000 2.482 177 F HA 0.399 4.927 4.527 0.001 0.000 0.331 177 F C -0.602 175.306 175.800 0.181 0.000 1.115 177 F CA -0.747 57.327 58.000 0.124 0.000 0.955 177 F CB 1.488 40.625 39.000 0.229 0.000 1.136 177 F HN -0.242 nan 8.300 nan 0.000 0.452 178 E N 5.566 125.573 120.200 -0.322 0.000 2.210 178 E HA 0.416 4.766 4.350 0.001 0.000 0.266 178 E C -1.154 175.294 176.600 -0.254 0.000 0.883 178 E CA -0.883 55.426 56.400 -0.152 0.000 0.761 178 E CB 1.187 30.805 29.700 -0.137 0.000 1.156 178 E HN 0.536 nan 8.360 nan 0.000 0.412 179 R N 3.750 124.205 120.500 -0.075 0.000 2.422 179 R HA 0.247 4.588 4.340 0.001 0.000 0.307 179 R C -0.792 175.482 176.300 -0.044 0.000 1.004 179 R CA -0.469 55.592 56.100 -0.064 0.000 0.882 179 R CB 0.659 30.969 30.300 0.017 0.000 1.164 179 R HN 0.840 nan 8.270 nan 0.000 0.489 180 N N 1.879 120.543 118.700 -0.060 0.000 2.637 180 N HA -0.304 4.436 4.740 0.001 0.000 0.287 180 N C 0.704 176.195 175.510 -0.033 0.000 1.130 180 N CA 1.066 54.090 53.050 -0.044 0.000 0.764 180 N CB -0.127 38.341 38.487 -0.033 0.000 0.935 180 N HN 1.079 nan 8.380 nan 0.000 0.558 181 G N -0.205 108.573 108.800 -0.036 0.000 3.079 181 G HA2 -0.234 3.727 3.960 0.001 0.000 0.214 181 G HA3 -0.234 3.727 3.960 0.001 0.000 0.214 181 G C 0.126 175.020 174.900 -0.010 0.000 1.335 181 G CA 0.545 45.630 45.100 -0.024 0.000 0.822 181 G HN 1.099 nan 8.290 nan 0.000 0.545 182 A N -0.875 121.946 122.820 0.002 0.000 2.312 182 A HA 0.705 5.025 4.320 0.001 0.000 0.310 182 A C -0.455 177.188 177.584 0.098 0.000 1.139 182 A CA -0.084 51.977 52.037 0.040 0.000 0.886 182 A CB 0.817 19.835 19.000 0.031 0.000 1.350 182 A HN 1.427 nan 8.150 nan 0.000 0.479 183 Y N 1.463 121.761 120.300 -0.004 0.000 2.584 183 Y HA 0.316 4.867 4.550 0.001 0.000 0.351 183 Y C -0.460 175.447 175.900 0.012 0.000 1.030 183 Y CA -0.910 57.217 58.100 0.043 0.000 1.332 183 Y CB 0.130 38.641 38.460 0.086 0.000 1.148 183 Y HN 0.529 nan 8.280 nan 0.000 0.528 184 D N 6.065 126.459 120.400 -0.010 0.000 2.499 184 D HA 0.022 4.662 4.640 0.001 0.000 0.225 184 D C 0.567 176.688 176.300 -0.299 0.000 1.124 184 D CA -0.359 53.510 54.000 -0.217 0.000 0.938 184 D CB -0.110 40.692 40.800 0.002 0.000 1.014 184 D HN 0.624 nan 8.370 nan 0.000 0.517 185 Y N 1.533 121.497 120.300 -0.561 0.000 2.352 185 Y HA -0.076 4.474 4.550 0.001 0.000 0.292 185 Y C 1.392 177.258 175.900 -0.056 0.000 1.136 185 Y CA 0.258 58.076 58.100 -0.470 0.000 1.227 185 Y CB -0.431 37.670 38.460 -0.598 0.000 0.991 185 Y HN 0.198 nan 8.280 nan 0.000 0.545 186 L N 1.068 122.303 121.223 0.020 0.000 2.072 186 L HA 0.036 4.376 4.340 0.001 0.000 0.205 186 L C 2.644 179.538 176.870 0.040 0.000 1.079 186 L CA 1.454 56.348 54.840 0.091 0.000 0.752 186 L CB -1.750 40.300 42.059 -0.015 0.000 0.906 186 L HN 0.432 nan 8.230 nan 0.000 0.436 187 A N -1.028 121.804 122.820 0.021 0.000 2.015 187 A HA -0.212 4.108 4.320 0.001 0.000 0.219 187 A C 2.309 179.830 177.584 -0.105 0.000 1.163 187 A CA 1.443 53.530 52.037 0.083 0.000 0.646 187 A CB -0.436 18.712 19.000 0.247 0.000 0.806 187 A HN 0.492 nan 8.150 nan 0.000 0.448 188 E N -0.183 119.844 120.200 -0.288 0.000 2.077 188 E HA -0.159 4.191 4.350 0.001 0.000 0.193 188 E C 1.936 178.441 176.600 -0.159 0.000 0.989 188 E CA 0.920 56.898 56.400 -0.702 0.000 0.800 188 E CB -0.190 29.342 29.700 -0.281 0.000 0.746 188 E HN 0.585 nan 8.360 nan 0.000 0.452 189 L N 1.045 122.314 121.223 0.077 0.000 2.012 189 L HA -0.227 4.113 4.340 0.001 0.000 0.210 189 L C 1.743 178.717 176.870 0.173 0.000 1.073 189 L CA 1.809 56.767 54.840 0.197 0.000 0.748 189 L CB -0.357 41.790 42.059 0.147 0.000 0.891 189 L HN 0.224 nan 8.230 nan 0.000 0.431 190 D N -1.300 119.159 120.400 0.099 0.000 2.144 190 D HA -0.232 4.408 4.640 0.001 0.000 0.200 190 D C 1.830 178.212 176.300 0.137 0.000 0.978 190 D CA 1.134 55.199 54.000 0.108 0.000 0.833 190 D CB -0.268 40.579 40.800 0.079 0.000 0.961 190 D HN 0.389 nan 8.370 nan 0.000 0.470 191 Y N 1.753 122.034 120.300 -0.031 0.000 2.145 191 Y HA -0.160 4.391 4.550 0.001 0.000 0.286 191 Y C 2.269 178.160 175.900 -0.015 0.000 1.145 191 Y CA 1.694 59.780 58.100 -0.024 0.000 1.148 191 Y CB -0.353 38.015 38.460 -0.153 0.000 0.981 191 Y HN -0.056 nan 8.280 nan 0.000 0.507 192 A N 0.003 122.852 122.820 0.048 0.000 1.851 192 A HA -0.225 4.095 4.320 0.001 0.000 0.216 192 A C 2.134 179.650 177.584 -0.113 0.000 1.195 192 A CA 1.889 53.909 52.037 -0.028 0.000 0.622 192 A CB -1.600 17.445 19.000 0.074 0.000 0.831 192 A HN 0.532 nan 8.150 nan 0.000 0.444 193 F N 0.195 120.109 119.950 -0.059 0.000 2.250 193 F HA -0.178 4.349 4.527 0.001 0.000 0.301 193 F C 2.055 177.782 175.800 -0.122 0.000 1.077 193 F CA 1.833 59.786 58.000 -0.079 0.000 1.348 193 F CB -0.281 38.681 39.000 -0.063 0.000 1.040 193 F HN 0.427 nan 8.300 nan 0.000 0.509 194 D N -0.142 120.265 120.400 0.011 0.000 2.117 194 D HA -0.192 4.449 4.640 0.001 0.000 0.197 194 D C 2.163 178.380 176.300 -0.138 0.000 0.987 194 D CA 0.925 54.891 54.000 -0.057 0.000 0.829 194 D CB -0.146 40.601 40.800 -0.089 0.000 0.961 194 D HN 0.113 nan 8.370 nan 0.000 0.460 195 L N 0.426 121.515 121.223 -0.224 0.000 2.017 195 L HA -0.110 4.230 4.340 0.001 0.000 0.208 195 L C 2.059 178.767 176.870 -0.271 0.000 1.073 195 L CA 1.435 56.128 54.840 -0.244 0.000 0.745 195 L CB -0.788 41.104 42.059 -0.277 0.000 0.894 195 L HN 0.181 nan 8.230 nan 0.000 0.432 196 I N -0.097 120.264 120.570 -0.347 0.000 2.163 196 I HA -0.295 3.876 4.170 0.001 0.000 0.243 196 I C 2.268 178.140 176.117 -0.408 0.000 1.085 196 I CA 1.374 62.361 61.300 -0.522 0.000 1.347 196 I CB -1.408 36.217 38.000 -0.625 0.000 1.044 196 I HN 0.315 nan 8.210 nan 0.000 0.408 197 D N 0.562 120.833 120.400 -0.214 0.000 2.123 197 D HA -0.177 4.463 4.640 0.001 0.000 0.196 197 D C 2.258 178.477 176.300 -0.136 0.000 0.992 197 D CA 0.963 54.889 54.000 -0.123 0.000 0.833 197 D CB -0.191 40.592 40.800 -0.029 0.000 0.954 197 D HN 0.247 nan 8.370 nan 0.000 0.455 198 R N 0.465 120.880 120.500 -0.140 0.000 2.152 198 R HA -0.082 4.258 4.340 0.001 0.000 0.232 198 R C 2.112 178.342 176.300 -0.116 0.000 1.117 198 R CA 0.850 56.885 56.100 -0.108 0.000 0.981 198 R CB -0.359 29.886 30.300 -0.091 0.000 0.870 198 R HN 0.511 nan 8.270 nan 0.000 0.451 199 Q N -0.096 119.584 119.800 -0.200 0.000 2.297 199 Q HA 0.093 4.433 4.340 0.001 0.000 0.203 199 Q C 0.829 176.749 176.000 -0.134 0.000 0.931 199 Q CA -0.033 55.672 55.803 -0.163 0.000 0.885 199 Q CB 0.089 28.740 28.738 -0.146 0.000 0.991 199 Q HN 0.030 nan 8.270 nan 0.000 0.498 200 S N 1.395 116.928 115.700 -0.278 0.000 2.561 200 S HA -0.060 4.411 4.470 0.001 0.000 0.294 200 S C 0.974 175.566 174.600 -0.013 0.000 1.294 200 S CA 0.247 58.362 58.200 -0.142 0.000 1.055 200 S CB 0.565 63.658 63.200 -0.178 0.000 0.819 200 S HN 0.431 nan 8.310 nan 0.000 0.503 201 S N 3.086 118.809 115.700 0.039 0.000 2.634 201 S HA 0.374 4.845 4.470 0.001 0.000 0.221 201 S C 1.256 175.858 174.600 0.003 0.000 0.952 201 S CA 0.297 58.524 58.200 0.046 0.000 0.930 201 S CB -0.410 62.856 63.200 0.111 0.000 0.780 201 S HN 2.066 nan 8.310 nan 0.000 0.498 202 G N 1.635 110.415 108.800 -0.034 0.000 2.131 202 G HA2 -0.196 3.764 3.960 0.001 0.000 0.223 202 G HA3 -0.196 3.764 3.960 0.001 0.000 0.223 202 G C -0.015 174.843 174.900 -0.070 0.000 0.990 202 G CA -0.034 45.043 45.100 -0.038 0.000 0.671 202 G HN 0.550 nan 8.290 nan 0.000 0.521 203 N N 0.343 118.954 118.700 -0.149 0.000 2.599 203 N HA 0.241 4.981 4.740 0.001 0.000 0.309 203 N C 0.226 175.589 175.510 -0.245 0.000 1.743 203 N CA -0.212 52.690 53.050 -0.246 0.000 0.918 203 N CB 0.607 38.758 38.487 -0.561 0.000 1.339 203 N HN 0.343 nan 8.380 nan 0.000 0.493 204 L N 1.003 122.160 121.223 -0.109 0.000 2.433 204 L HA 0.194 4.534 4.340 0.001 0.000 0.275 204 L C 1.443 178.298 176.870 -0.025 0.000 1.128 204 L CA -0.060 54.755 54.840 -0.042 0.000 0.875 204 L CB 0.894 42.964 42.059 0.019 0.000 1.171 204 L HN 0.190 nan 8.230 nan 0.000 0.463 205 A N 3.248 126.058 122.820 -0.017 0.000 1.993 205 A HA 0.726 5.046 4.320 0.001 0.000 0.207 205 A C 0.771 178.369 177.584 0.024 0.000 1.224 205 A CA 0.841 52.879 52.037 0.002 0.000 0.749 205 A CB 0.287 19.291 19.000 0.007 0.000 0.884 205 A HN 0.729 nan 8.150 nan 0.000 0.467 206 A N -1.965 120.878 122.820 0.038 0.000 2.564 206 A HA 0.633 4.953 4.320 0.001 0.000 0.291 206 A C -1.946 175.696 177.584 0.096 0.000 1.102 206 A CA -0.381 51.693 52.037 0.062 0.000 0.660 206 A CB 0.388 19.399 19.000 0.018 0.000 1.283 206 A HN 0.716 nan 8.150 nan 0.000 0.430 207 F N 0.546 120.480 119.950 -0.028 0.000 2.539 207 F HA 0.718 5.246 4.527 0.001 0.000 0.318 207 F C -1.147 174.595 175.800 -0.097 0.000 1.135 207 F CA -0.933 57.037 58.000 -0.050 0.000 0.915 207 F CB 1.562 40.556 39.000 -0.010 0.000 1.176 207 F HN 0.445 nan 8.300 nan 0.000 0.440 208 I N 4.571 125.047 120.570 -0.156 0.000 2.441 208 I HA 0.869 5.039 4.170 0.001 0.000 0.295 208 I C -0.449 175.693 176.117 0.041 0.000 0.994 208 I CA -0.829 60.404 61.300 -0.112 0.000 1.144 208 I CB 1.410 39.134 38.000 -0.460 0.000 1.314 208 I HN 0.640 nan 8.210 nan 0.000 0.445 209 A N 3.776 126.726 122.820 0.216 0.000 2.515 209 A HA 0.769 5.090 4.320 0.001 0.000 0.298 209 A C -1.038 176.806 177.584 0.432 0.000 1.059 209 A CA -0.704 51.577 52.037 0.405 0.000 0.698 209 A CB 1.210 20.494 19.000 0.473 0.000 1.289 209 A HN 0.712 nan 8.150 nan 0.000 0.404 210 E N 1.827 122.343 120.200 0.527 0.000 2.197 210 E HA 0.357 4.708 4.350 0.001 0.000 0.281 210 E C -1.770 175.005 176.600 0.292 0.000 0.995 210 E CA -1.827 54.786 56.400 0.356 0.000 0.808 210 E CB 1.621 31.491 29.700 0.284 0.000 1.093 210 E HN 0.369 nan 8.360 nan 0.000 0.394 211 P HA -0.064 nan 4.420 nan 0.000 0.218 211 P C -0.081 177.275 177.300 0.093 0.000 1.149 211 P CA 1.224 64.418 63.100 0.157 0.000 0.817 211 P CB 0.434 32.209 31.700 0.126 0.000 0.785 212 I N -0.682 119.933 120.570 0.076 0.000 2.500 212 I HA 0.147 4.318 4.170 0.001 0.000 0.286 212 I C -0.758 175.369 176.117 0.017 0.000 1.063 212 I CA -1.256 60.054 61.300 0.017 0.000 1.062 212 I CB 2.125 40.131 38.000 0.010 0.000 1.223 212 I HN -0.342 nan 8.210 nan 0.000 0.435 213 L N 5.460 126.661 121.223 -0.037 0.000 2.515 213 L HA 0.117 4.457 4.340 0.001 0.000 0.281 213 L C 1.408 178.251 176.870 -0.045 0.000 1.131 213 L CA 0.809 55.632 54.840 -0.028 0.000 0.905 213 L CB 0.652 42.654 42.059 -0.094 0.000 1.246 213 L HN 0.628 nan 8.230 nan 0.000 0.463 214 S N 1.219 116.913 115.700 -0.010 0.000 2.329 214 S HA -0.131 4.340 4.470 0.001 0.000 0.215 214 S C 1.927 176.483 174.600 -0.074 0.000 1.031 214 S CA 1.654 59.833 58.200 -0.036 0.000 0.985 214 S CB 0.159 63.349 63.200 -0.017 0.000 0.917 214 S HN 0.772 nan 8.310 nan 0.000 0.441 215 S N 0.660 116.312 115.700 -0.080 0.000 2.447 215 S HA 0.009 4.479 4.470 0.001 0.000 0.233 215 S C 1.751 176.297 174.600 -0.090 0.000 1.006 215 S CA 0.876 58.996 58.200 -0.132 0.000 0.957 215 S CB -0.546 62.550 63.200 -0.174 0.000 0.773 215 S HN 0.645 nan 8.310 nan 0.000 0.507 216 G N 0.482 109.241 108.800 -0.068 0.000 3.061 216 G HA2 0.377 4.337 3.960 0.001 0.000 0.208 216 G HA3 0.377 4.337 3.960 0.001 0.000 0.208 216 G C 0.823 175.615 174.900 -0.180 0.000 1.175 216 G CA 0.142 45.181 45.100 -0.101 0.000 0.812 216 G HN 0.819 nan 8.290 nan 0.000 0.523 217 G N 0.853 109.563 108.800 -0.149 0.000 2.207 217 G HA2 -0.173 3.788 3.960 0.001 0.000 0.216 217 G HA3 -0.173 3.788 3.960 0.001 0.000 0.216 217 G C 0.453 175.264 174.900 -0.148 0.000 1.053 217 G CA -0.412 44.598 45.100 -0.151 0.000 0.764 217 G HN 0.918 nan 8.290 nan 0.000 0.495 218 I N -1.130 119.370 120.570 -0.117 0.000 7.063 218 I HA -0.228 3.943 4.170 0.001 0.000 0.126 218 I C 0.627 176.677 176.117 -0.112 0.000 1.739 218 I CA 0.935 62.182 61.300 -0.087 0.000 2.259 218 I CB -1.837 36.133 38.000 -0.049 0.000 3.408 218 I HN 0.441 nan 8.210 nan 0.000 0.232 219 I N 2.508 122.970 120.570 -0.180 0.000 2.304 219 I HA 0.221 4.391 4.170 0.001 0.000 0.291 219 I C 1.019 177.049 176.117 -0.144 0.000 1.018 219 I CA -0.127 61.037 61.300 -0.227 0.000 1.260 219 I CB 1.272 39.013 38.000 -0.431 0.000 1.390 219 I HN 0.288 nan 8.210 nan 0.000 0.475 220 E N 6.525 126.679 120.200 -0.076 0.000 2.259 220 E HA 0.341 4.691 4.350 0.001 0.000 0.281 220 E C -0.783 175.739 176.600 -0.130 0.000 1.027 220 E CA -0.708 55.650 56.400 -0.070 0.000 0.838 220 E CB 1.090 30.775 29.700 -0.026 0.000 1.066 220 E HN 0.490 nan 8.360 nan 0.000 0.401 221 L N 7.183 128.322 121.223 -0.140 0.000 2.433 221 L HA 0.201 4.541 4.340 0.001 0.000 0.275 221 L C -1.754 174.995 176.870 -0.203 0.000 1.128 221 L CA -1.753 52.947 54.840 -0.234 0.000 0.875 221 L CB 0.010 42.017 42.059 -0.086 0.000 1.171 221 L HN 0.434 nan 8.230 nan 0.000 0.463 222 P HA -0.023 nan 4.420 nan 0.000 0.271 222 P C -0.699 176.474 177.300 -0.211 0.000 1.238 222 P CA -0.373 62.489 63.100 -0.398 0.000 0.794 222 P CB 0.528 31.618 31.700 -1.016 0.000 0.959 223 D N -0.888 119.485 120.400 -0.044 0.000 2.458 223 D HA 0.328 4.968 4.640 0.001 0.000 0.243 223 D C 1.448 177.862 176.300 0.190 0.000 1.146 223 D CA 1.916 55.972 54.000 0.094 0.000 0.877 223 D CB -0.357 40.522 40.800 0.132 0.000 1.176 223 D HN 0.679 nan 8.370 nan 0.000 0.461 224 G N 2.258 111.143 108.800 0.142 0.000 2.184 224 G HA2 -0.412 3.549 3.960 0.001 0.000 0.264 224 G HA3 -0.412 3.549 3.960 0.001 0.000 0.264 224 G C 0.779 175.776 174.900 0.161 0.000 0.975 224 G CA 0.665 45.848 45.100 0.139 0.000 0.642 224 G HN 0.611 nan 8.290 nan 0.000 0.536 225 Y N 0.137 120.456 120.300 0.032 0.000 2.153 225 Y HA 0.181 4.731 4.550 0.001 0.000 0.289 225 Y C 2.849 178.752 175.900 0.004 0.000 1.127 225 Y CA 2.653 60.762 58.100 0.014 0.000 1.131 225 Y CB -0.313 38.091 38.460 -0.094 0.000 0.995 225 Y HN 0.283 nan 8.280 nan 0.000 0.505 226 M N 0.235 119.919 119.600 0.140 0.000 2.082 226 M HA -0.237 4.244 4.480 0.001 0.000 0.258 226 M C 2.269 178.516 176.300 -0.089 0.000 1.069 226 M CA 2.296 57.614 55.300 0.032 0.000 1.102 226 M CB -0.502 32.147 32.600 0.082 0.000 1.336 226 M HN 0.354 nan 8.290 nan 0.000 0.404 227 A N -0.405 122.383 122.820 -0.053 0.000 1.933 227 A HA -0.043 4.277 4.320 0.001 0.000 0.218 227 A C 2.295 179.798 177.584 -0.136 0.000 1.175 227 A CA 1.990 53.983 52.037 -0.074 0.000 0.628 227 A CB -1.309 17.670 19.000 -0.035 0.000 0.814 227 A HN 0.650 nan 8.150 nan 0.000 0.444 228 A N -0.601 122.115 122.820 -0.174 0.000 1.898 228 A HA 0.029 4.350 4.320 0.001 0.000 0.216 228 A C 2.103 179.474 177.584 -0.355 0.000 1.181 228 A CA 1.627 53.523 52.037 -0.235 0.000 0.620 228 A CB -0.605 18.260 19.000 -0.225 0.000 0.819 228 A HN 0.635 nan 8.150 nan 0.000 0.442 229 L N 0.131 121.072 121.223 -0.471 0.000 1.989 229 L HA -0.168 4.173 4.340 0.001 0.000 0.211 229 L C 2.294 178.920 176.870 -0.407 0.000 1.071 229 L CA 2.826 57.349 54.840 -0.528 0.000 0.749 229 L CB -0.743 40.999 42.059 -0.530 0.000 0.890 229 L HN 0.396 nan 8.230 nan 0.000 0.431 230 K N -0.380 119.854 120.400 -0.277 0.000 2.074 230 K HA -0.198 4.122 4.320 0.001 0.000 0.209 230 K C 2.287 178.760 176.600 -0.212 0.000 1.048 230 K CA 1.706 57.872 56.287 -0.202 0.000 0.926 230 K CB -0.246 32.176 32.500 -0.129 0.000 0.713 230 K HN 0.277 nan 8.250 nan 0.000 0.444 231 R N -0.008 120.359 120.500 -0.222 0.000 2.148 231 R HA -0.019 4.322 4.340 0.001 0.000 0.227 231 R C 2.007 178.137 176.300 -0.283 0.000 1.103 231 R CA 1.132 57.106 56.100 -0.210 0.000 0.983 231 R CB 0.001 30.196 30.300 -0.175 0.000 0.874 231 R HN 0.133 nan 8.270 nan 0.000 0.451 232 K N -0.105 120.041 120.400 -0.423 0.000 2.103 232 K HA -0.082 4.238 4.320 0.001 0.000 0.204 232 K C 2.102 178.387 176.600 -0.525 0.000 1.052 232 K CA 1.002 56.898 56.287 -0.652 0.000 0.945 232 K CB -0.109 31.684 32.500 -1.178 0.000 0.722 232 K HN 0.245 nan 8.250 nan 0.000 0.443 233 C N 1.177 120.261 119.300 -0.360 0.000 2.453 233 C HA -0.042 4.418 4.460 0.001 0.000 0.277 233 C C 2.515 177.430 174.990 -0.126 0.000 1.262 233 C CA 0.553 59.471 59.018 -0.167 0.000 1.718 233 C CB -0.621 27.054 27.740 -0.108 0.000 2.031 233 C HN 0.527 nan 8.230 nan 0.000 0.480 234 E N 0.992 121.109 120.200 -0.139 0.000 2.085 234 E HA -0.215 4.136 4.350 0.001 0.000 0.194 234 E C 2.322 178.865 176.600 -0.096 0.000 0.994 234 E CA 1.473 57.812 56.400 -0.103 0.000 0.801 234 E CB -0.249 29.390 29.700 -0.101 0.000 0.743 234 E HN 0.668 nan 8.360 nan 0.000 0.453 235 A N 1.179 123.923 122.820 -0.127 0.000 1.902 235 A HA -0.187 4.133 4.320 0.001 0.000 0.217 235 A C 1.959 179.495 177.584 -0.080 0.000 1.181 235 A CA 1.406 53.378 52.037 -0.109 0.000 0.623 235 A CB -0.325 18.588 19.000 -0.145 0.000 0.818 235 A HN 0.103 nan 8.150 nan 0.000 0.443 236 R N -1.640 118.812 120.500 -0.080 0.000 2.297 236 R HA 0.256 4.596 4.340 0.001 0.000 0.197 236 R C 1.243 177.530 176.300 -0.022 0.000 0.943 236 R CA 0.522 56.601 56.100 -0.035 0.000 1.038 236 R CB -0.001 30.303 30.300 0.007 0.000 0.957 236 R HN 0.686 nan 8.270 nan 0.000 0.484 237 G N 1.061 109.843 108.800 -0.031 0.000 2.159 237 G HA2 -0.301 3.660 3.960 0.001 0.000 0.256 237 G HA3 -0.301 3.660 3.960 0.001 0.000 0.256 237 G C 0.151 175.045 174.900 -0.010 0.000 0.977 237 G CA -0.009 45.078 45.100 -0.022 0.000 0.652 237 G HN 0.155 nan 8.290 nan 0.000 0.531 238 M N 0.391 119.991 119.600 0.001 0.000 2.288 238 M HA 0.551 5.032 4.480 0.001 0.000 0.334 238 M C 0.923 177.231 176.300 0.013 0.000 1.150 238 M CA -0.307 55.009 55.300 0.026 0.000 1.118 238 M CB 0.976 33.624 32.600 0.080 0.000 1.501 238 M HN 0.029 nan 8.290 nan 0.000 0.462 239 L N 2.182 123.417 121.223 0.020 0.000 2.399 239 L HA 0.506 4.847 4.340 0.001 0.000 0.265 239 L C -0.698 176.192 176.870 0.033 0.000 1.089 239 L CA -0.913 53.930 54.840 0.005 0.000 0.802 239 L CB 1.166 43.219 42.059 -0.010 0.000 1.180 239 L HN 0.520 nan 8.230 nan 0.000 0.454 240 L N 2.822 124.053 121.223 0.013 0.000 2.319 240 L HA 0.519 4.859 4.340 0.001 0.000 0.281 240 L C -0.694 176.188 176.870 0.021 0.000 1.005 240 L CA 0.116 54.979 54.840 0.037 0.000 0.828 240 L CB 1.163 43.218 42.059 -0.007 0.000 1.227 240 L HN 0.327 nan 8.230 nan 0.000 0.415 241 I N 6.057 126.650 120.570 0.038 0.000 2.339 241 I HA 0.323 4.494 4.170 0.001 0.000 0.290 241 I C -0.591 175.541 176.117 0.026 0.000 0.994 241 I CA -0.396 60.901 61.300 -0.004 0.000 1.191 241 I CB 1.374 39.346 38.000 -0.047 0.000 1.343 241 I HN 0.446 nan 8.210 nan 0.000 0.458 242 L N 5.718 126.953 121.223 0.020 0.000 2.272 242 L HA 0.294 4.635 4.340 0.001 0.000 0.289 242 L C -0.221 176.686 176.870 0.061 0.000 1.032 242 L CA -0.449 54.430 54.840 0.064 0.000 0.810 242 L CB 1.268 43.361 42.059 0.057 0.000 1.205 242 L HN 0.549 nan 8.230 nan 0.000 0.422 243 D N 4.188 124.661 120.400 0.121 0.000 2.494 243 D HA 0.041 4.681 4.640 0.001 0.000 0.217 243 D C 0.247 176.637 176.300 0.151 0.000 1.153 243 D CA -0.003 54.082 54.000 0.142 0.000 0.954 243 D CB 0.540 41.497 40.800 0.263 0.000 1.034 243 D HN 0.457 nan 8.370 nan 0.000 0.518 244 E N 2.210 122.477 120.200 0.112 0.000 2.320 244 E HA 0.142 4.493 4.350 0.001 0.000 0.234 244 E C 1.172 177.852 176.600 0.132 0.000 1.290 244 E CA -0.351 56.130 56.400 0.135 0.000 1.545 244 E CB 0.599 30.399 29.700 0.166 0.000 1.379 244 E HN 0.502 nan 8.360 nan 0.000 0.437 245 A N 0.713 123.609 122.820 0.126 0.000 1.933 245 A HA -0.219 4.101 4.320 0.001 0.000 0.218 245 A C 2.015 179.656 177.584 0.095 0.000 1.175 245 A CA 1.300 53.405 52.037 0.113 0.000 0.628 245 A CB 0.048 19.128 19.000 0.133 0.000 0.814 245 A HN 0.253 nan 8.150 nan 0.000 0.444 246 Q N -1.756 118.100 119.800 0.093 0.000 2.350 246 Q HA -0.004 4.336 4.340 0.001 0.000 0.225 246 Q C 1.863 177.890 176.000 0.046 0.000 0.878 246 Q CA 1.090 56.928 55.803 0.060 0.000 0.935 246 Q CB 0.411 29.180 28.738 0.051 0.000 1.099 246 Q HN 0.849 nan 8.270 nan 0.000 0.527 247 T N -3.096 111.501 114.554 0.071 0.000 3.023 247 T HA 0.168 4.518 4.350 0.001 0.000 0.249 247 T C 1.089 175.836 174.700 0.078 0.000 1.050 247 T CA 0.292 62.431 62.100 0.064 0.000 1.088 247 T CB 0.121 69.040 68.868 0.085 0.000 0.946 247 T HN 0.112 nan 8.240 nan 0.000 0.480 248 G N 1.190 110.073 108.800 0.137 0.000 2.667 248 G HA2 0.414 4.374 3.960 0.001 0.000 0.250 248 G HA3 0.414 4.374 3.960 0.001 0.000 0.250 248 G C 0.247 175.163 174.900 0.026 0.000 1.212 248 G CA 0.092 45.320 45.100 0.214 0.000 0.874 248 G HN 0.993 nan 8.290 nan 0.000 0.561 249 V N -0.283 119.535 119.914 -0.160 0.000 5.831 249 V HA -0.197 3.924 4.120 0.001 0.000 0.322 249 V C 1.895 177.882 176.094 -0.179 0.000 0.451 249 V CA 1.466 63.645 62.300 -0.200 0.000 0.687 249 V CB -2.115 29.667 31.823 -0.069 0.000 0.395 249 V HN 2.825 nan 8.190 nan 0.000 1.284 250 G N 0.041 108.709 108.800 -0.221 0.000 2.267 250 G HA2 -0.451 3.509 3.960 0.001 0.000 0.257 250 G HA3 -0.451 3.509 3.960 0.001 0.000 0.257 250 G C 0.876 175.717 174.900 -0.098 0.000 0.998 250 G CA 1.264 46.273 45.100 -0.153 0.000 0.620 250 G HN 1.068 nan 8.290 nan 0.000 0.529 251 R N 0.924 121.377 120.500 -0.078 0.000 2.117 251 R HA -0.109 4.231 4.340 0.001 0.000 0.243 251 R C 2.421 178.690 176.300 -0.052 0.000 1.143 251 R CA 2.580 58.644 56.100 -0.061 0.000 0.968 251 R CB -0.585 29.687 30.300 -0.047 0.000 0.863 251 R HN 0.672 nan 8.270 nan 0.000 0.444 252 T N -3.758 110.772 114.554 -0.040 0.000 3.163 252 T HA 0.335 4.686 4.350 0.001 0.000 0.252 252 T C 1.108 175.788 174.700 -0.033 0.000 1.056 252 T CA 0.151 62.233 62.100 -0.029 0.000 0.947 252 T CB 0.888 69.752 68.868 -0.007 0.000 1.016 252 T HN 0.467 nan 8.240 nan 0.000 0.554 253 G N 1.153 109.924 108.800 -0.048 0.000 2.194 253 G HA2 -0.192 3.769 3.960 0.001 0.000 0.236 253 G HA3 -0.192 3.769 3.960 0.001 0.000 0.236 253 G C 0.207 175.078 174.900 -0.050 0.000 0.987 253 G CA 0.112 45.185 45.100 -0.045 0.000 0.635 253 G HN 1.173 nan 8.290 nan 0.000 0.520 254 T N -3.168 111.349 114.554 -0.062 0.000 2.901 254 T HA 0.712 5.063 4.350 0.001 0.000 0.293 254 T C 1.248 175.850 174.700 -0.163 0.000 1.084 254 T CA -0.188 61.868 62.100 -0.074 0.000 1.008 254 T CB 1.658 70.511 68.868 -0.024 0.000 1.170 254 T HN -0.115 nan 8.240 nan 0.000 0.509 255 M N -0.109 119.337 119.600 -0.257 0.000 2.108 255 M HA 0.196 4.676 4.480 0.001 0.000 0.261 255 M C -0.488 175.262 176.300 -0.918 0.000 1.066 255 M CA 1.496 56.433 55.300 -0.604 0.000 1.107 255 M CB -0.928 31.221 32.600 -0.751 0.000 1.356 255 M HN 0.656 nan 8.290 nan 0.000 0.406 256 F N -2.063 117.888 119.950 0.002 0.000 2.556 256 F HA 0.482 5.010 4.527 0.001 0.000 0.314 256 F C 0.949 176.757 175.800 0.012 0.000 1.106 256 F CA -0.847 57.158 58.000 0.008 0.000 0.911 256 F CB 0.674 39.679 39.000 0.009 0.000 1.190 256 F HN -0.051 nan 8.300 nan 0.000 0.448 257 A N 0.799 123.735 122.820 0.194 0.000 1.978 257 A HA -0.210 4.110 4.320 0.001 0.000 0.220 257 A C 2.138 179.797 177.584 0.124 0.000 1.170 257 A CA 1.986 54.095 52.037 0.121 0.000 0.636 257 A CB -1.374 17.688 19.000 0.102 0.000 0.810 257 A HN 1.056 nan 8.150 nan 0.000 0.448 258 C N -1.022 118.368 119.300 0.151 0.000 2.409 258 C HA -0.112 4.348 4.460 0.001 0.000 0.288 258 C C 2.307 177.355 174.990 0.096 0.000 1.395 258 C CA 0.978 60.059 59.018 0.105 0.000 1.792 258 C CB -1.876 25.907 27.740 0.072 0.000 1.847 258 C HN 0.662 nan 8.230 nan 0.000 0.534 259 Q N 0.435 120.310 119.800 0.126 0.000 2.297 259 Q HA -0.073 4.267 4.340 0.001 0.000 0.204 259 Q C 2.438 178.474 176.000 0.061 0.000 0.962 259 Q CA 0.983 56.843 55.803 0.095 0.000 0.879 259 Q CB -0.182 28.621 28.738 0.108 0.000 0.947 259 Q HN 0.771 nan 8.270 nan 0.000 0.462 260 R N 1.124 121.659 120.500 0.057 0.000 2.055 260 R HA -0.132 4.208 4.340 0.001 0.000 0.228 260 R C 1.211 177.535 176.300 0.041 0.000 1.143 260 R CA 1.930 58.054 56.100 0.041 0.000 0.945 260 R CB 0.063 30.385 30.300 0.038 0.000 0.841 260 R HN 0.175 nan 8.270 nan 0.000 0.429 261 D N -1.301 119.127 120.400 0.047 0.000 2.182 261 D HA -0.024 4.617 4.640 0.001 0.000 0.201 261 D C 0.991 177.311 176.300 0.034 0.000 0.986 261 D CA 1.721 55.748 54.000 0.044 0.000 0.847 261 D CB 0.059 40.890 40.800 0.052 0.000 0.942 261 D HN 0.600 nan 8.370 nan 0.000 0.467 262 G N -0.621 108.200 108.800 0.035 0.000 2.143 262 G HA2 -0.265 3.695 3.960 0.001 0.000 0.249 262 G HA3 -0.265 3.695 3.960 0.001 0.000 0.249 262 G C 0.148 175.058 174.900 0.016 0.000 0.981 262 G CA 0.141 45.256 45.100 0.026 0.000 0.665 262 G HN 0.297 nan 8.290 nan 0.000 0.528 263 V N 1.923 121.848 119.914 0.017 0.000 2.364 263 V HA 0.637 4.757 4.120 0.001 0.000 0.272 263 V C 0.886 176.980 176.094 0.001 0.000 1.036 263 V CA 0.266 62.567 62.300 0.001 0.000 0.880 263 V CB 1.421 33.242 31.823 -0.003 0.000 0.991 263 V HN 0.684 nan 8.190 nan 0.000 0.460 264 T N 6.208 120.755 114.554 -0.012 0.000 2.799 264 T HA 0.554 4.904 4.350 0.001 0.000 0.286 264 T C -1.969 172.711 174.700 -0.033 0.000 0.973 264 T CA -1.609 60.478 62.100 -0.021 0.000 1.035 264 T CB 1.631 70.484 68.868 -0.025 0.000 0.932 264 T HN 0.496 nan 8.240 nan 0.000 0.469 265 P HA 0.334 nan 4.420 nan 0.000 0.277 265 P C 0.238 177.507 177.300 -0.051 0.000 1.271 265 P CA -0.375 62.702 63.100 -0.038 0.000 0.795 265 P CB 0.867 32.546 31.700 -0.035 0.000 1.101 266 D N -0.674 119.698 120.400 -0.046 0.000 2.183 266 D HA 0.089 4.729 4.640 0.001 0.000 0.205 266 D C 0.621 176.878 176.300 -0.070 0.000 0.962 266 D CA 1.324 55.291 54.000 -0.055 0.000 0.849 266 D CB 0.363 41.135 40.800 -0.046 0.000 0.978 266 D HN 0.309 nan 8.370 nan 0.000 0.488 267 I N 0.915 121.443 120.570 -0.070 0.000 2.619 267 I HA 0.256 4.427 4.170 0.001 0.000 0.292 267 I C -1.173 174.893 176.117 -0.085 0.000 1.100 267 I CA -0.973 60.274 61.300 -0.088 0.000 1.043 267 I CB 2.970 40.913 38.000 -0.094 0.000 1.239 267 I HN -0.210 nan 8.210 nan 0.000 0.420 268 L N 5.732 126.889 121.223 -0.110 0.000 2.341 268 L HA 0.710 5.050 4.340 0.001 0.000 0.278 268 L C -0.135 176.672 176.870 -0.106 0.000 1.005 268 L CA 0.159 54.928 54.840 -0.119 0.000 0.818 268 L CB 1.974 43.910 42.059 -0.205 0.000 1.259 268 L HN 0.732 nan 8.230 nan 0.000 0.418 269 T N 3.416 117.932 114.554 -0.063 0.000 2.823 269 T HA 0.757 5.107 4.350 0.001 0.000 0.279 269 T C -0.496 174.201 174.700 -0.005 0.000 0.998 269 T CA -0.630 61.445 62.100 -0.042 0.000 0.994 269 T CB 0.941 69.789 68.868 -0.034 0.000 0.960 269 T HN 0.547 nan 8.240 nan 0.000 0.448 270 L N 2.424 123.647 121.223 0.000 0.000 2.323 270 L HA 0.803 5.144 4.340 0.001 0.000 0.265 270 L C 0.584 177.481 176.870 0.045 0.000 1.012 270 L CA -0.740 54.126 54.840 0.043 0.000 0.820 270 L CB 2.191 44.287 42.059 0.062 0.000 1.334 270 L HN 0.869 nan 8.230 nan 0.000 0.427 271 S N -0.722 115.015 115.700 0.062 0.000 5.086 271 S HA 0.149 4.619 4.470 0.001 0.000 0.156 271 S C 1.069 175.699 174.600 0.050 0.000 1.290 271 S CA -0.316 57.917 58.200 0.055 0.000 1.070 271 S CB 0.003 63.246 63.200 0.072 0.000 2.069 271 S HN 0.599 nan 8.310 nan 0.000 0.699 272 K N 0.933 121.367 120.400 0.057 0.000 2.049 272 K HA -0.191 4.130 4.320 0.001 0.000 0.219 272 K C 1.959 178.573 176.600 0.023 0.000 1.056 272 K CA 2.412 58.725 56.287 0.043 0.000 0.946 272 K CB -0.801 31.729 32.500 0.050 0.000 0.723 272 K HN 0.720 nan 8.250 nan 0.000 0.453 273 T N -0.404 114.165 114.554 0.025 0.000 3.055 273 T HA -0.025 4.325 4.350 0.001 0.000 0.265 273 T C 1.761 176.464 174.700 0.005 0.000 1.111 273 T CA 0.456 62.559 62.100 0.004 0.000 1.118 273 T CB -0.014 68.856 68.868 0.003 0.000 0.909 273 T HN 0.053 nan 8.240 nan 0.000 0.501 274 L N 1.742 122.980 121.223 0.025 0.000 2.179 274 L HA 0.403 4.743 4.340 0.001 0.000 0.208 274 L C 2.456 179.328 176.870 0.002 0.000 1.096 274 L CA 1.637 56.491 54.840 0.023 0.000 0.779 274 L CB -0.838 41.247 42.059 0.043 0.000 0.922 274 L HN 0.358 nan 8.230 nan 0.000 0.443 275 G N -1.893 106.909 108.800 0.003 0.000 2.683 275 G HA2 0.157 4.117 3.960 0.001 0.000 0.213 275 G HA3 0.157 4.117 3.960 0.001 0.000 0.213 275 G C 1.099 175.990 174.900 -0.015 0.000 1.142 275 G CA 0.423 45.520 45.100 -0.006 0.000 0.793 275 G HN 0.757 nan 8.290 nan 0.000 0.534 276 A N -1.501 121.306 122.820 -0.021 0.000 2.816 276 A HA 0.133 4.453 4.320 0.001 0.000 0.270 276 A C 1.902 179.468 177.584 -0.031 0.000 1.413 276 A CA 2.150 54.164 52.037 -0.038 0.000 0.866 276 A CB -1.487 17.482 19.000 -0.052 0.000 1.032 276 A HN 2.188 nan 8.150 nan 0.000 0.642 277 G N -3.705 105.088 108.800 -0.011 0.000 2.624 277 G HA2 0.130 4.091 3.960 0.001 0.000 0.190 277 G HA3 0.130 4.091 3.960 0.001 0.000 0.190 277 G C -0.004 174.906 174.900 0.017 0.000 1.008 277 G CA 0.178 45.282 45.100 0.007 0.000 0.731 277 G HN 1.120 nan 8.290 nan 0.000 0.478 278 L N 1.887 123.114 121.223 0.007 0.000 2.400 278 L HA 0.655 4.995 4.340 0.001 0.000 0.264 278 L C -1.927 174.941 176.870 -0.003 0.000 1.061 278 L CA -2.139 52.702 54.840 0.001 0.000 0.799 278 L CB 1.182 43.238 42.059 -0.006 0.000 1.240 278 L HN -0.107 nan 8.230 nan 0.000 0.461 279 P HA 0.298 nan 4.420 nan 0.000 0.256 279 P C -1.236 176.053 177.300 -0.017 0.000 1.689 279 P CA -0.153 62.937 63.100 -0.016 0.000 1.124 279 P CB 0.515 32.193 31.700 -0.037 0.000 1.766 280 L N 2.436 123.658 121.223 -0.002 0.000 2.422 280 L HA 0.881 5.222 4.340 0.001 0.000 0.264 280 L C -1.356 175.523 176.870 0.015 0.000 0.984 280 L CA -0.724 54.117 54.840 0.001 0.000 0.819 280 L CB 2.250 44.303 42.059 -0.009 0.000 1.330 280 L HN 0.361 nan 8.230 nan 0.000 0.410 281 A N 2.882 125.713 122.820 0.018 0.000 2.610 281 A HA 1.054 5.374 4.320 0.001 0.000 0.291 281 A C -1.601 175.988 177.584 0.009 0.000 1.086 281 A CA 0.007 52.056 52.037 0.020 0.000 0.677 281 A CB 1.485 20.502 19.000 0.028 0.000 1.278 281 A HN 1.702 nan 8.150 nan 0.000 0.414 282 A N -0.307 122.511 122.820 -0.003 0.000 2.581 282 A HA 0.842 5.163 4.320 0.001 0.000 0.290 282 A C -1.225 176.331 177.584 -0.048 0.000 1.119 282 A CA 0.153 52.177 52.037 -0.022 0.000 0.670 282 A CB 0.677 19.667 19.000 -0.016 0.000 1.280 282 A HN 2.313 nan 8.150 nan 0.000 0.425 283 I N -1.744 118.786 120.570 -0.067 0.000 2.647 283 I HA 0.857 5.028 4.170 0.001 0.000 0.295 283 I C -1.485 174.576 176.117 -0.094 0.000 1.078 283 I CA -1.045 60.200 61.300 -0.091 0.000 1.048 283 I CB 2.198 40.127 38.000 -0.118 0.000 1.239 283 I HN 0.334 nan 8.210 nan 0.000 0.421 284 V N 4.449 124.295 119.914 -0.114 0.000 2.540 284 V HA 0.676 4.797 4.120 0.001 0.000 0.302 284 V C 0.004 176.027 176.094 -0.119 0.000 1.035 284 V CA -0.207 62.023 62.300 -0.116 0.000 0.873 284 V CB 1.655 33.390 31.823 -0.147 0.000 0.992 284 V HN 0.967 nan 8.190 nan 0.000 0.428 285 T N 1.920 116.410 114.554 -0.106 0.000 2.804 285 T HA 0.568 4.918 4.350 0.001 0.000 0.290 285 T C -0.137 174.512 174.700 -0.085 0.000 1.099 285 T CA -0.082 61.956 62.100 -0.103 0.000 1.011 285 T CB 1.940 70.736 68.868 -0.120 0.000 1.291 285 T HN 0.941 nan 8.240 nan 0.000 0.523 286 S N 0.794 116.448 115.700 -0.077 0.000 2.610 286 S HA 0.587 5.057 4.470 0.001 0.000 0.273 286 S C 1.580 176.146 174.600 -0.057 0.000 1.274 286 S CA -0.099 58.064 58.200 -0.061 0.000 1.023 286 S CB 1.055 64.222 63.200 -0.054 0.000 0.962 286 S HN 0.929 nan 8.310 nan 0.000 0.523 287 A N 2.442 125.235 122.820 -0.045 0.000 1.940 287 A HA 0.114 4.434 4.320 0.001 0.000 0.219 287 A C 2.376 179.940 177.584 -0.034 0.000 1.176 287 A CA 1.798 53.812 52.037 -0.039 0.000 0.631 287 A CB -1.646 17.336 19.000 -0.031 0.000 0.814 287 A HN 1.377 nan 8.150 nan 0.000 0.446 288 A N 0.010 122.811 122.820 -0.032 0.000 1.883 288 A HA -0.138 4.182 4.320 0.001 0.000 0.217 288 A C 2.132 179.698 177.584 -0.030 0.000 1.186 288 A CA 1.674 53.695 52.037 -0.026 0.000 0.624 288 A CB -0.600 18.385 19.000 -0.026 0.000 0.822 288 A HN 0.513 nan 8.150 nan 0.000 0.444 289 I N -0.857 119.685 120.570 -0.047 0.000 2.315 289 I HA -0.183 3.987 4.170 0.001 0.000 0.248 289 I C 2.634 178.705 176.117 -0.077 0.000 1.117 289 I CA 1.397 62.658 61.300 -0.064 0.000 1.404 289 I CB -0.266 37.685 38.000 -0.082 0.000 1.071 289 I HN 0.426 nan 8.210 nan 0.000 0.419 290 E N 1.112 121.268 120.200 -0.074 0.000 2.072 290 E HA -0.224 4.127 4.350 0.001 0.000 0.191 290 E C 1.933 178.529 176.600 -0.006 0.000 0.985 290 E CA 1.200 57.557 56.400 -0.072 0.000 0.801 290 E CB 0.078 29.737 29.700 -0.069 0.000 0.750 290 E HN 0.402 nan 8.360 nan 0.000 0.452 291 E N 0.498 120.701 120.200 0.005 0.000 2.077 291 E HA -0.184 4.167 4.350 0.001 0.000 0.193 291 E C 2.188 178.832 176.600 0.073 0.000 0.989 291 E CA 0.594 57.024 56.400 0.050 0.000 0.800 291 E CB -0.240 29.476 29.700 0.027 0.000 0.746 291 E HN 0.078 nan 8.360 nan 0.000 0.452 292 R N 0.687 121.203 120.500 0.026 0.000 2.073 292 R HA -0.043 4.297 4.340 0.001 0.000 0.234 292 R C 2.127 178.442 176.300 0.025 0.000 1.134 292 R CA 1.402 57.513 56.100 0.018 0.000 0.952 292 R CB -0.740 29.557 30.300 -0.005 0.000 0.850 292 R HN 0.152 nan 8.270 nan 0.000 0.433 293 A N -0.528 122.293 122.820 0.003 0.000 1.933 293 A HA -0.211 4.109 4.320 0.001 0.000 0.218 293 A C 2.081 179.737 177.584 0.121 0.000 1.175 293 A CA 1.917 53.956 52.037 0.003 0.000 0.628 293 A CB -0.712 18.169 19.000 -0.198 0.000 0.814 293 A HN 0.563 nan 8.150 nan 0.000 0.444 294 H N -0.090 119.005 119.070 0.042 0.000 2.357 294 H HA -0.024 4.533 4.556 0.001 0.000 0.301 294 H C 1.893 177.259 175.328 0.064 0.000 1.082 294 H CA 1.890 57.984 56.048 0.077 0.000 1.342 294 H CB -0.114 29.680 29.762 0.054 0.000 1.389 294 H HN 0.588 nan 8.280 nan 0.000 0.511 295 E N -0.357 119.826 120.200 -0.027 0.000 2.153 295 E HA -0.123 4.228 4.350 0.001 0.000 0.194 295 E C 1.172 177.723 176.600 -0.082 0.000 0.988 295 E CA 0.651 57.003 56.400 -0.081 0.000 0.811 295 E CB 0.114 29.815 29.700 0.001 0.000 0.746 295 E HN 0.332 nan 8.360 nan 0.000 0.466 296 L N -0.457 120.748 121.223 -0.030 0.000 2.591 296 L HA 0.139 4.480 4.340 0.001 0.000 0.228 296 L C 1.209 178.081 176.870 0.004 0.000 1.133 296 L CA 1.015 55.854 54.840 -0.002 0.000 0.880 296 L CB -0.419 41.660 42.059 0.033 0.000 1.033 296 L HN 0.220 nan 8.230 nan 0.000 0.450 297 G N -1.097 107.683 108.800 -0.033 0.000 2.171 297 G HA2 -0.360 3.601 3.960 0.001 0.000 0.238 297 G HA3 -0.360 3.601 3.960 0.001 0.000 0.238 297 G C 0.184 175.136 174.900 0.087 0.000 1.039 297 G CA 0.066 45.157 45.100 -0.015 0.000 0.759 297 G HN 0.278 nan 8.290 nan 0.000 0.501 298 Y N -0.607 119.705 120.300 0.020 0.000 2.805 298 Y HA 0.407 4.957 4.550 0.001 0.000 0.337 298 Y C 0.243 176.202 175.900 0.099 0.000 1.252 298 Y CA 0.423 58.564 58.100 0.068 0.000 1.515 298 Y CB 0.527 39.040 38.460 0.089 0.000 1.305 298 Y HN 0.686 nan 8.280 nan 0.000 0.600 299 L N 7.384 128.209 121.223 -0.663 0.000 2.505 299 L HA 0.472 4.812 4.340 0.001 0.000 0.266 299 L C -2.121 174.450 176.870 -0.497 0.000 0.954 299 L CA -0.521 54.056 54.840 -0.437 0.000 0.852 299 L CB 1.459 43.397 42.059 -0.202 0.000 1.282 299 L HN 0.619 nan 8.230 nan 0.000 0.403 300 F N 5.602 125.303 119.950 -0.415 0.000 2.946 300 F HA 0.346 4.873 4.527 0.001 0.000 0.375 300 F C -1.819 173.953 175.800 -0.047 0.000 1.320 300 F CA -0.338 57.524 58.000 -0.231 0.000 1.181 300 F CB 0.496 39.375 39.000 -0.201 0.000 2.051 300 F HN 0.470 nan 8.300 nan 0.000 0.622 301 Y N 2.804 122.935 120.300 -0.281 0.000 2.335 301 Y HA 0.567 5.117 4.550 0.001 0.000 0.339 301 Y C 0.272 176.025 175.900 -0.245 0.000 0.987 301 Y CA -0.317 57.666 58.100 -0.195 0.000 1.140 301 Y CB 1.005 39.361 38.460 -0.175 0.000 1.173 301 Y HN 0.445 nan 8.280 nan 0.000 0.486 302 T N -0.112 114.335 114.554 -0.179 0.000 2.888 302 T HA 0.300 4.651 4.350 0.001 0.000 0.288 302 T C 0.794 175.382 174.700 -0.186 0.000 1.063 302 T CA -0.298 61.725 62.100 -0.127 0.000 1.010 302 T CB 1.452 70.283 68.868 -0.063 0.000 1.214 302 T HN 0.471 nan 8.240 nan 0.000 0.533 303 T N 0.617 115.074 114.554 -0.161 0.000 2.708 303 T HA -0.078 4.272 4.350 0.001 0.000 0.266 303 T C 1.190 175.707 174.700 -0.304 0.000 1.037 303 T CA 1.381 63.318 62.100 -0.271 0.000 1.146 303 T CB -0.462 68.111 68.868 -0.492 0.000 0.865 303 T HN 0.719 nan 8.240 nan 0.000 0.435 304 H N -0.093 118.999 119.070 0.037 0.000 2.517 304 H HA 0.427 4.983 4.556 0.001 0.000 0.282 304 H C 0.640 175.960 175.328 -0.013 0.000 1.023 304 H CA -0.371 55.707 56.048 0.050 0.000 1.169 304 H CB -0.446 29.354 29.762 0.064 0.000 1.454 304 H HN 0.171 nan 8.280 nan 0.000 0.556 305 V N 1.807 121.714 119.914 -0.011 0.000 2.763 305 V HA -0.057 4.063 4.120 0.001 0.000 0.306 305 V C 0.422 176.472 176.094 -0.073 0.000 1.059 305 V CA 0.470 62.749 62.300 -0.036 0.000 1.138 305 V CB 0.603 32.343 31.823 -0.138 0.000 0.940 305 V HN 0.671 nan 8.190 nan 0.000 0.489 306 S N 3.218 118.892 115.700 -0.042 0.000 3.614 306 S HA -0.166 4.304 4.470 0.001 0.000 0.360 306 S C -0.275 174.297 174.600 -0.046 0.000 1.023 306 S CA 0.976 59.143 58.200 -0.055 0.000 1.114 306 S CB -1.382 61.763 63.200 -0.091 0.000 0.907 306 S HN 0.960 nan 8.310 nan 0.000 0.470 307 D N 1.016 121.417 120.400 0.001 0.000 2.210 307 D HA 0.368 5.009 4.640 0.001 0.000 0.249 307 D C -0.896 175.406 176.300 0.004 0.000 1.078 307 D CA -2.019 51.998 54.000 0.027 0.000 0.875 307 D CB 1.029 41.921 40.800 0.152 0.000 1.175 307 D HN 0.047 nan 8.370 nan 0.000 0.440 308 P HA -0.161 nan 4.420 nan 0.000 0.215 308 P C 1.811 179.054 177.300 -0.096 0.000 1.157 308 P CA 0.766 63.856 63.100 -0.016 0.000 0.874 308 P CB 0.497 32.234 31.700 0.062 0.000 0.790 309 L N -0.331 120.877 121.223 -0.025 0.000 1.955 309 L HA -0.113 4.227 4.340 0.001 0.000 0.213 309 L C -0.475 176.324 176.870 -0.119 0.000 1.072 309 L CA 2.779 57.581 54.840 -0.064 0.000 0.755 309 L CB -1.891 40.194 42.059 0.043 0.000 0.888 309 L HN 0.021 nan 8.230 nan 0.000 0.432 310 P HA -0.209 nan 4.420 nan 0.000 0.214 310 P C 1.403 178.651 177.300 -0.087 0.000 1.163 310 P CA 2.079 65.142 63.100 -0.062 0.000 0.889 310 P CB -0.191 31.488 31.700 -0.035 0.000 0.790 311 A N 0.182 122.947 122.820 -0.091 0.000 1.903 311 A HA -0.235 4.085 4.320 0.001 0.000 0.219 311 A C 2.398 179.892 177.584 -0.151 0.000 1.191 311 A CA 2.744 54.723 52.037 -0.097 0.000 0.638 311 A CB -1.717 17.230 19.000 -0.088 0.000 0.823 311 A HN 0.227 nan 8.150 nan 0.000 0.451 312 A N -0.924 121.734 122.820 -0.269 0.000 1.933 312 A HA 0.016 4.337 4.320 0.001 0.000 0.218 312 A C 2.236 179.677 177.584 -0.238 0.000 1.175 312 A CA 1.797 53.592 52.037 -0.403 0.000 0.628 312 A CB -0.835 17.547 19.000 -1.030 0.000 0.814 312 A HN 0.424 nan 8.150 nan 0.000 0.444 313 V N -0.219 119.594 119.914 -0.167 0.000 2.358 313 V HA -0.143 3.978 4.120 0.001 0.000 0.246 313 V C 2.808 178.863 176.094 -0.066 0.000 1.047 313 V CA 1.820 64.069 62.300 -0.086 0.000 1.035 313 V CB -1.332 30.459 31.823 -0.054 0.000 0.658 313 V HN 0.608 nan 8.190 nan 0.000 0.452 314 G N -0.115 108.646 108.800 -0.065 0.000 2.440 314 G HA2 -0.267 3.693 3.960 0.001 0.000 0.218 314 G HA3 -0.267 3.693 3.960 0.001 0.000 0.218 314 G C 1.563 176.439 174.900 -0.041 0.000 1.154 314 G CA 1.087 46.161 45.100 -0.044 0.000 0.767 314 G HN 0.410 nan 8.290 nan 0.000 0.552 315 L N 0.799 121.991 121.223 -0.051 0.000 2.079 315 L HA -0.022 4.318 4.340 0.001 0.000 0.210 315 L C 2.728 179.579 176.870 -0.031 0.000 1.081 315 L CA 2.138 56.956 54.840 -0.036 0.000 0.752 315 L CB -0.567 41.466 42.059 -0.042 0.000 0.896 315 L HN 0.275 nan 8.230 nan 0.000 0.433 316 R N -1.114 119.363 120.500 -0.038 0.000 2.075 316 R HA -0.079 4.261 4.340 0.001 0.000 0.232 316 R C 2.064 178.327 176.300 -0.062 0.000 1.126 316 R CA 1.829 57.909 56.100 -0.034 0.000 0.963 316 R CB -0.880 29.407 30.300 -0.021 0.000 0.858 316 R HN 0.241 nan 8.270 nan 0.000 0.435 317 V N 1.224 121.095 119.914 -0.070 0.000 2.287 317 V HA -0.280 3.840 4.120 0.001 0.000 0.248 317 V C 2.340 178.386 176.094 -0.080 0.000 1.053 317 V CA 2.139 64.383 62.300 -0.093 0.000 1.027 317 V CB -0.540 31.240 31.823 -0.071 0.000 0.646 317 V HN 0.318 nan 8.190 nan 0.000 0.447 318 L N -0.352 120.841 121.223 -0.051 0.000 2.046 318 L HA -0.178 4.162 4.340 0.001 0.000 0.208 318 L C 2.413 179.258 176.870 -0.041 0.000 1.077 318 L CA 1.657 56.473 54.840 -0.041 0.000 0.747 318 L CB -0.917 41.133 42.059 -0.014 0.000 0.896 318 L HN 0.327 nan 8.230 nan 0.000 0.432 319 D N -0.008 120.371 120.400 -0.034 0.000 2.097 319 D HA -0.174 4.466 4.640 0.001 0.000 0.195 319 D C 2.274 178.554 176.300 -0.035 0.000 0.989 319 D CA 1.677 55.662 54.000 -0.025 0.000 0.827 319 D CB -0.356 40.438 40.800 -0.010 0.000 0.966 319 D HN 0.280 nan 8.370 nan 0.000 0.456 320 V N 0.444 120.322 119.914 -0.060 0.000 2.343 320 V HA -0.214 3.906 4.120 0.001 0.000 0.247 320 V C 2.279 178.335 176.094 -0.064 0.000 1.051 320 V CA 1.542 63.800 62.300 -0.071 0.000 1.036 320 V CB -0.595 31.153 31.823 -0.124 0.000 0.654 320 V HN 0.036 nan 8.190 nan 0.000 0.451 321 V N 0.251 120.118 119.914 -0.078 0.000 2.332 321 V HA -0.310 3.810 4.120 0.001 0.000 0.248 321 V C 2.649 178.709 176.094 -0.057 0.000 1.055 321 V CA 2.625 64.881 62.300 -0.073 0.000 1.038 321 V CB -0.963 30.806 31.823 -0.090 0.000 0.651 321 V HN 0.672 nan 8.190 nan 0.000 0.450 322 Q N 0.540 120.310 119.800 -0.050 0.000 1.967 322 Q HA -0.236 4.105 4.340 0.001 0.000 0.202 322 Q C 2.380 178.366 176.000 -0.025 0.000 0.985 322 Q CA 2.433 58.214 55.803 -0.038 0.000 0.839 322 Q CB -0.248 28.473 28.738 -0.028 0.000 0.906 322 Q HN 0.779 nan 8.270 nan 0.000 0.423 323 R N -0.038 120.452 120.500 -0.016 0.000 2.082 323 R HA -0.112 4.229 4.340 0.001 0.000 0.234 323 R C 1.339 177.638 176.300 -0.002 0.000 1.136 323 R CA 1.796 57.894 56.100 -0.004 0.000 0.935 323 R CB -0.921 29.382 30.300 0.005 0.000 0.842 323 R HN 0.167 nan 8.270 nan 0.000 0.430 324 D N 0.562 120.962 120.400 0.000 0.000 2.392 324 D HA 0.057 4.698 4.640 0.001 0.000 0.228 324 D C 0.741 177.038 176.300 -0.004 0.000 1.003 324 D CA 1.276 55.280 54.000 0.007 0.000 0.917 324 D CB -0.269 40.546 40.800 0.025 0.000 0.890 324 D HN 0.634 nan 8.370 nan 0.000 0.532 325 G N 1.057 109.847 108.800 -0.015 0.000 2.366 325 G HA2 -0.320 3.640 3.960 0.001 0.000 0.299 325 G HA3 -0.320 3.640 3.960 0.001 0.000 0.299 325 G C 0.956 175.840 174.900 -0.027 0.000 1.020 325 G CA 0.302 45.389 45.100 -0.022 0.000 1.026 325 G HN 0.425 nan 8.290 nan 0.000 0.512 326 L N -0.931 120.271 121.223 -0.035 0.000 2.201 326 L HA -0.087 4.254 4.340 0.001 0.000 0.212 326 L C 2.851 179.689 176.870 -0.053 0.000 1.105 326 L CA 0.939 55.755 54.840 -0.040 0.000 0.775 326 L CB -0.383 41.648 42.059 -0.047 0.000 0.913 326 L HN 0.339 nan 8.230 nan 0.000 0.440 327 V N 0.117 119.992 119.914 -0.064 0.000 2.490 327 V HA -0.270 3.851 4.120 0.001 0.000 0.250 327 V C 2.681 178.742 176.094 -0.054 0.000 1.061 327 V CA 1.799 64.055 62.300 -0.073 0.000 1.064 327 V CB -0.686 31.083 31.823 -0.091 0.000 0.670 327 V HN 0.491 nan 8.190 nan 0.000 0.461 328 A N -0.487 122.308 122.820 -0.042 0.000 1.898 328 A HA -0.138 4.183 4.320 0.001 0.000 0.214 328 A C 2.392 179.960 177.584 -0.028 0.000 1.183 328 A CA 1.292 53.310 52.037 -0.031 0.000 0.622 328 A CB -0.491 18.496 19.000 -0.023 0.000 0.824 328 A HN 0.399 nan 8.150 nan 0.000 0.444 329 R N -0.442 120.042 120.500 -0.027 0.000 2.117 329 R HA -0.173 4.168 4.340 0.001 0.000 0.243 329 R C 2.317 178.598 176.300 -0.033 0.000 1.143 329 R CA 1.238 57.324 56.100 -0.024 0.000 0.968 329 R CB -0.373 29.915 30.300 -0.019 0.000 0.863 329 R HN 0.515 nan 8.270 nan 0.000 0.444 330 A N 1.049 123.843 122.820 -0.043 0.000 1.978 330 A HA -0.177 4.144 4.320 0.001 0.000 0.220 330 A C 1.710 179.267 177.584 -0.045 0.000 1.170 330 A CA 1.480 53.486 52.037 -0.052 0.000 0.636 330 A CB -0.373 18.592 19.000 -0.059 0.000 0.810 330 A HN 0.335 nan 8.150 nan 0.000 0.448 331 N N -0.233 118.445 118.700 -0.036 0.000 2.250 331 N HA -0.057 4.684 4.740 0.001 0.000 0.181 331 N C 1.758 177.254 175.510 -0.023 0.000 1.017 331 N CA 1.432 54.465 53.050 -0.028 0.000 0.866 331 N CB -0.190 38.283 38.487 -0.023 0.000 0.985 331 N HN 0.289 nan 8.380 nan 0.000 0.429 332 V N 1.816 121.718 119.914 -0.021 0.000 2.255 332 V HA -0.140 3.980 4.120 0.001 0.000 0.243 332 V C 2.404 178.488 176.094 -0.016 0.000 1.038 332 V CA 1.197 63.488 62.300 -0.014 0.000 1.008 332 V CB -0.317 31.500 31.823 -0.010 0.000 0.645 332 V HN 0.203 nan 8.190 nan 0.000 0.449 333 M N 0.606 120.193 119.600 -0.022 0.000 2.213 333 M HA -0.052 4.429 4.480 0.001 0.000 0.263 333 M C 2.260 178.537 176.300 -0.038 0.000 1.062 333 M CA 1.851 57.136 55.300 -0.025 0.000 1.105 333 M CB -1.871 30.708 32.600 -0.035 0.000 1.385 333 M HN 0.446 nan 8.290 nan 0.000 0.417 334 G N -0.196 108.577 108.800 -0.045 0.000 2.408 334 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 334 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 334 G C 1.242 176.122 174.900 -0.033 0.000 1.150 334 G CA 1.271 46.340 45.100 -0.051 0.000 0.776 334 G HN 0.513 nan 8.290 nan 0.000 0.542 335 D N -0.227 120.160 120.400 -0.022 0.000 2.149 335 D HA -0.066 4.574 4.640 0.001 0.000 0.201 335 D C 2.345 178.640 176.300 -0.007 0.000 0.972 335 D CA 0.723 54.715 54.000 -0.013 0.000 0.835 335 D CB -0.123 40.672 40.800 -0.008 0.000 0.966 335 D HN 0.276 nan 8.370 nan 0.000 0.476 336 R N 0.009 120.505 120.500 -0.006 0.000 2.073 336 R HA -0.080 4.260 4.340 0.001 0.000 0.234 336 R C 2.411 178.716 176.300 0.008 0.000 1.134 336 R CA 0.909 57.011 56.100 0.004 0.000 0.952 336 R CB -0.474 29.831 30.300 0.009 0.000 0.850 336 R HN 0.292 nan 8.270 nan 0.000 0.433 337 L N 0.791 122.012 121.223 -0.003 0.000 2.017 337 L HA -0.227 4.113 4.340 0.001 0.000 0.208 337 L C 2.869 179.742 176.870 0.004 0.000 1.073 337 L CA 1.611 56.452 54.840 0.001 0.000 0.745 337 L CB -0.438 41.588 42.059 -0.055 0.000 0.894 337 L HN 0.328 nan 8.230 nan 0.000 0.432 338 R N 0.045 120.540 120.500 -0.009 0.000 2.122 338 R HA -0.268 4.072 4.340 0.001 0.000 0.236 338 R C 2.374 178.679 176.300 0.007 0.000 1.129 338 R CA 2.250 58.348 56.100 -0.004 0.000 0.925 338 R CB -0.301 29.994 30.300 -0.009 0.000 0.850 338 R HN 0.296 nan 8.270 nan 0.000 0.431 339 R N -0.720 119.785 120.500 0.008 0.000 2.113 339 R HA -0.166 4.175 4.340 0.001 0.000 0.244 339 R C 2.418 178.729 176.300 0.019 0.000 1.142 339 R CA 1.651 57.758 56.100 0.012 0.000 0.953 339 R CB -0.765 29.541 30.300 0.010 0.000 0.860 339 R HN 0.530 nan 8.270 nan 0.000 0.438 340 G N 0.949 109.764 108.800 0.025 0.000 2.446 340 G HA2 -0.237 3.723 3.960 0.001 0.000 0.217 340 G HA3 -0.237 3.723 3.960 0.001 0.000 0.217 340 G C 1.435 176.361 174.900 0.042 0.000 1.168 340 G CA 0.620 45.742 45.100 0.036 0.000 0.771 340 G HN 0.142 nan 8.290 nan 0.000 0.551 341 L N -0.111 121.135 121.223 0.039 0.000 2.017 341 L HA -0.040 4.301 4.340 0.001 0.000 0.208 341 L C 2.925 179.821 176.870 0.042 0.000 1.073 341 L CA 0.648 55.513 54.840 0.041 0.000 0.745 341 L CB -0.491 41.586 42.059 0.029 0.000 0.894 341 L HN 0.183 nan 8.230 nan 0.000 0.432 342 L N -0.500 120.740 121.223 0.029 0.000 2.079 342 L HA -0.242 4.098 4.340 0.001 0.000 0.210 342 L C 2.239 179.126 176.870 0.029 0.000 1.081 342 L CA 1.023 55.878 54.840 0.025 0.000 0.752 342 L CB -0.684 41.384 42.059 0.015 0.000 0.896 342 L HN 0.275 nan 8.230 nan 0.000 0.433 343 D N -0.064 120.353 120.400 0.028 0.000 2.097 343 D HA -0.168 4.473 4.640 0.001 0.000 0.195 343 D C 2.203 178.522 176.300 0.031 0.000 0.989 343 D CA 1.044 55.055 54.000 0.019 0.000 0.827 343 D CB -0.147 40.663 40.800 0.016 0.000 0.966 343 D HN 0.076 nan 8.370 nan 0.000 0.456 344 L N 0.562 121.831 121.223 0.078 0.000 2.043 344 L HA -0.121 4.219 4.340 0.001 0.000 0.212 344 L C 2.424 179.407 176.870 0.187 0.000 1.075 344 L CA 1.286 56.231 54.840 0.175 0.000 0.752 344 L CB -0.859 41.311 42.059 0.184 0.000 0.891 344 L HN 0.106 nan 8.230 nan 0.000 0.432 345 M N -1.132 118.536 119.600 0.114 0.000 2.213 345 M HA -0.251 4.229 4.480 0.001 0.000 0.263 345 M C 2.164 178.499 176.300 0.058 0.000 1.062 345 M CA 1.596 56.955 55.300 0.097 0.000 1.105 345 M CB -0.023 32.611 32.600 0.055 0.000 1.385 345 M HN 0.258 nan 8.290 nan 0.000 0.417 346 E N -0.369 119.840 120.200 0.016 0.000 2.106 346 E HA -0.242 4.108 4.350 0.001 0.000 0.192 346 E C 2.058 178.608 176.600 -0.082 0.000 0.984 346 E CA 1.177 57.563 56.400 -0.023 0.000 0.806 346 E CB 0.076 29.758 29.700 -0.029 0.000 0.750 346 E HN 0.447 nan 8.360 nan 0.000 0.458 347 R N -0.874 119.527 120.500 -0.165 0.000 2.062 347 R HA -0.006 4.335 4.340 0.001 0.000 0.229 347 R C -0.199 175.780 176.300 -0.535 0.000 1.128 347 R CA 0.805 56.644 56.100 -0.435 0.000 0.960 347 R CB 0.134 30.037 30.300 -0.661 0.000 0.855 347 R HN -0.052 nan 8.270 nan 0.000 0.432 348 F N 0.837 120.792 119.950 0.008 0.000 2.458 348 F HA 0.231 4.759 4.527 0.001 0.000 0.336 348 F C 0.595 176.407 175.800 0.020 0.000 1.114 348 F CA -1.048 56.960 58.000 0.013 0.000 0.987 348 F CB 1.711 40.719 39.000 0.014 0.000 1.130 348 F HN -0.051 nan 8.300 nan 0.000 0.458 349 D N 1.072 121.586 120.400 0.190 0.000 2.310 349 D HA -0.126 4.515 4.640 0.001 0.000 0.212 349 D C 2.144 178.520 176.300 0.127 0.000 0.965 349 D CA 0.985 55.059 54.000 0.124 0.000 0.879 349 D CB -0.307 40.545 40.800 0.087 0.000 0.921 349 D HN 0.660 nan 8.370 nan 0.000 0.510 350 C N 0.261 119.651 119.300 0.150 0.000 2.432 350 C HA 0.139 4.600 4.460 0.001 0.000 0.282 350 C C 1.383 176.436 174.990 0.105 0.000 1.388 350 C CA -0.746 58.338 59.018 0.109 0.000 1.777 350 C CB -1.416 26.371 27.740 0.078 0.000 1.882 350 C HN 0.040 nan 8.230 nan 0.000 0.520 351 I N 2.269 122.911 120.570 0.120 0.000 2.379 351 I HA 0.350 4.521 4.170 0.001 0.000 0.290 351 I C 1.502 177.666 176.117 0.077 0.000 1.063 351 I CA 0.580 61.938 61.300 0.096 0.000 1.351 351 I CB 1.160 39.224 38.000 0.106 0.000 1.410 351 I HN 0.405 nan 8.210 nan 0.000 0.505 352 G N 3.990 112.824 108.800 0.055 0.000 2.762 352 G HA2 0.062 4.022 3.960 0.001 0.000 0.209 352 G HA3 0.062 4.022 3.960 0.001 0.000 0.209 352 G C -0.140 174.686 174.900 -0.124 0.000 1.134 352 G CA 0.245 45.390 45.100 0.075 0.000 0.781 352 G HN 0.556 nan 8.290 nan 0.000 0.528 353 D N -1.384 118.860 120.400 -0.261 0.000 2.706 353 D HA 0.378 5.018 4.640 0.001 0.000 0.225 353 D C -1.374 174.809 176.300 -0.195 0.000 1.241 353 D CA -0.338 53.424 54.000 -0.397 0.000 0.784 353 D CB 2.269 42.442 40.800 -1.045 0.000 1.521 353 D HN 0.196 nan 8.370 nan 0.000 0.461 354 V N 3.511 123.348 119.914 -0.129 0.000 2.447 354 V HA 0.850 4.971 4.120 0.001 0.000 0.292 354 V C -1.175 174.890 176.094 -0.048 0.000 1.021 354 V CA -0.276 61.989 62.300 -0.058 0.000 0.850 354 V CB 0.994 32.805 31.823 -0.020 0.000 1.005 354 V HN 0.708 nan 8.190 nan 0.000 0.426 355 R N 4.718 125.198 120.500 -0.034 0.000 2.885 355 R HA 1.044 5.385 4.340 0.001 0.000 0.260 355 R C 0.208 176.501 176.300 -0.012 0.000 1.107 355 R CA -0.421 55.670 56.100 -0.016 0.000 0.978 355 R CB 1.668 31.968 30.300 0.001 0.000 1.227 355 R HN 1.798 nan 8.270 nan 0.000 0.473 356 G N 0.023 108.818 108.800 -0.009 0.000 2.331 356 G HA2 0.099 4.059 3.960 0.001 0.000 0.479 356 G HA3 0.099 4.059 3.960 0.001 0.000 0.479 356 G C -1.596 173.296 174.900 -0.014 0.000 1.262 356 G CA -0.636 44.455 45.100 -0.015 0.000 1.029 356 G HN 0.687 nan 8.290 nan 0.000 0.487 357 R N -0.953 119.535 120.500 -0.019 0.000 2.668 357 R HA 0.619 4.960 4.340 0.001 0.000 0.272 357 R C 0.934 177.217 176.300 -0.029 0.000 1.019 357 R CA 1.222 57.312 56.100 -0.018 0.000 0.894 357 R CB 1.518 31.812 30.300 -0.010 0.000 1.228 357 R HN 2.666 nan 8.270 nan 0.000 0.460 358 G N 1.885 110.667 108.800 -0.032 0.000 2.611 358 G HA2 -0.339 3.621 3.960 0.001 0.000 0.301 358 G HA3 -0.339 3.621 3.960 0.001 0.000 0.301 358 G C -0.375 174.488 174.900 -0.060 0.000 1.233 358 G CA 0.275 45.350 45.100 -0.043 0.000 0.993 358 G HN 0.421 nan 8.290 nan 0.000 0.553 359 L N 0.247 121.426 121.223 -0.073 0.000 2.805 359 L HA 0.582 4.922 4.340 0.001 0.000 0.237 359 L C 0.400 177.208 176.870 -0.104 0.000 1.252 359 L CA 0.330 55.107 54.840 -0.104 0.000 1.064 359 L CB 0.065 42.055 42.059 -0.115 0.000 1.361 359 L HN 0.512 nan 8.230 nan 0.000 0.474 360 L N 0.335 121.513 121.223 -0.075 0.000 2.470 360 L HA 0.477 4.818 4.340 0.001 0.000 0.253 360 L C -1.137 175.703 176.870 -0.050 0.000 1.163 360 L CA -0.033 54.771 54.840 -0.060 0.000 0.932 360 L CB 0.695 42.731 42.059 -0.038 0.000 1.213 360 L HN -0.156 nan 8.230 nan 0.000 0.485 361 L N 1.816 123.003 121.223 -0.059 0.000 2.334 361 L HA 0.926 5.266 4.340 0.001 0.000 0.270 361 L C 0.567 177.427 176.870 -0.017 0.000 1.018 361 L CA -0.578 54.238 54.840 -0.040 0.000 0.811 361 L CB 1.735 43.763 42.059 -0.052 0.000 1.271 361 L HN 0.524 nan 8.230 nan 0.000 0.443 362 G N 0.521 109.320 108.800 -0.003 0.000 2.687 362 G HA2 0.585 4.545 3.960 0.001 0.000 0.301 362 G HA3 0.585 4.545 3.960 0.001 0.000 0.301 362 G C -1.819 173.101 174.900 0.032 0.000 1.416 362 G CA -0.277 44.834 45.100 0.020 0.000 1.005 362 G HN 0.263 nan 8.290 nan 0.000 0.509 363 V N 1.802 121.771 119.914 0.091 0.000 2.350 363 V HA 0.340 4.461 4.120 0.001 0.000 0.285 363 V C 0.030 176.184 176.094 0.101 0.000 1.014 363 V CA -0.732 61.626 62.300 0.096 0.000 0.831 363 V CB 1.319 33.235 31.823 0.154 0.000 1.000 363 V HN 0.870 nan 8.190 nan 0.000 0.433 364 E N 5.317 125.524 120.200 0.012 0.000 2.105 364 E HA 0.294 4.645 4.350 0.001 0.000 0.285 364 E C -0.472 176.166 176.600 0.064 0.000 1.055 364 E CA -0.689 55.727 56.400 0.027 0.000 0.843 364 E CB 0.629 30.328 29.700 -0.002 0.000 1.067 364 E HN 0.463 nan 8.360 nan 0.000 0.398 365 I N 5.161 125.779 120.570 0.079 0.000 2.496 365 I HA 0.142 4.313 4.170 0.001 0.000 0.285 365 I C 0.141 176.309 176.117 0.084 0.000 1.080 365 I CA -0.094 61.259 61.300 0.088 0.000 1.404 365 I CB 0.700 38.746 38.000 0.076 0.000 1.403 365 I HN 0.390 nan 8.210 nan 0.000 0.539 366 V N 6.832 126.801 119.914 0.093 0.000 3.114 366 V HA 0.277 4.398 4.120 0.001 0.000 0.308 366 V C 0.970 177.108 176.094 0.073 0.000 1.168 366 V CA -0.802 61.554 62.300 0.094 0.000 1.015 366 V CB 2.764 34.671 31.823 0.140 0.000 1.050 366 V HN 0.786 nan 8.190 nan 0.000 0.433 367 K N 1.222 121.656 120.400 0.057 0.000 2.103 367 K HA 0.017 4.337 4.320 0.001 0.000 0.204 367 K C 0.171 176.801 176.600 0.050 0.000 1.052 367 K CA 1.610 57.925 56.287 0.046 0.000 0.945 367 K CB 0.226 32.745 32.500 0.032 0.000 0.722 367 K HN 0.888 nan 8.250 nan 0.000 0.443 368 D N -2.412 118.019 120.400 0.052 0.000 2.745 368 D HA 0.036 4.676 4.640 0.001 0.000 0.221 368 D C -0.288 176.045 176.300 0.054 0.000 1.237 368 D CA -0.561 53.469 54.000 0.050 0.000 0.781 368 D CB 0.941 41.762 40.800 0.034 0.000 1.575 368 D HN -0.148 nan 8.370 nan 0.000 0.482 369 R N 0.688 121.225 120.500 0.061 0.000 2.096 369 R HA -0.084 4.257 4.340 0.001 0.000 0.235 369 R C 2.155 178.477 176.300 0.037 0.000 1.127 369 R CA 1.651 57.792 56.100 0.069 0.000 0.968 369 R CB 0.025 30.369 30.300 0.072 0.000 0.861 369 R HN 0.441 nan 8.270 nan 0.000 0.440 370 R N -0.515 119.997 120.500 0.021 0.000 2.082 370 R HA -0.111 4.230 4.340 0.001 0.000 0.234 370 R C 2.320 178.609 176.300 -0.017 0.000 1.136 370 R CA 2.238 58.339 56.100 0.001 0.000 0.935 370 R CB -0.919 29.382 30.300 0.001 0.000 0.842 370 R HN 0.273 nan 8.270 nan 0.000 0.430 371 T N -0.596 113.950 114.554 -0.013 0.000 2.896 371 T HA 0.063 4.413 4.350 0.001 0.000 0.263 371 T C 0.561 175.235 174.700 -0.044 0.000 1.050 371 T CA 0.538 62.622 62.100 -0.028 0.000 1.140 371 T CB -0.046 68.813 68.868 -0.016 0.000 0.877 371 T HN 0.181 nan 8.240 nan 0.000 0.457 372 K N 1.004 121.394 120.400 -0.017 0.000 3.167 372 K HA -0.131 4.190 4.320 0.001 0.000 0.272 372 K C -0.305 176.291 176.600 -0.007 0.000 1.137 372 K CA 0.277 56.556 56.287 -0.012 0.000 0.800 372 K CB -1.384 31.036 32.500 -0.133 0.000 1.253 372 K HN 0.566 nan 8.250 nan 0.000 0.497 373 E N 1.350 121.556 120.200 0.009 0.000 2.259 373 E HA 0.110 4.461 4.350 0.001 0.000 0.281 373 E C -2.311 174.306 176.600 0.029 0.000 1.037 373 E CA -2.320 54.086 56.400 0.010 0.000 0.854 373 E CB 0.761 30.465 29.700 0.006 0.000 1.051 373 E HN -0.049 nan 8.360 nan 0.000 0.409 374 P HA -0.073 nan 4.420 nan 0.000 0.264 374 P C -1.274 176.041 177.300 0.025 0.000 1.183 374 P CA 0.213 63.334 63.100 0.034 0.000 0.763 374 P CB 0.609 32.324 31.700 0.025 0.000 0.807 375 A N 3.027 125.862 122.820 0.026 0.000 2.506 375 A HA 0.184 4.505 4.320 0.001 0.000 0.320 375 A C -0.142 177.444 177.584 0.002 0.000 1.424 375 A CA -0.385 51.663 52.037 0.018 0.000 1.044 375 A CB -0.859 18.157 19.000 0.028 0.000 1.140 375 A HN 0.400 nan 8.150 nan 0.000 0.538 376 D N 2.391 122.792 120.400 0.001 0.000 2.422 376 D HA 0.327 4.968 4.640 0.001 0.000 0.283 376 D C 1.456 177.750 176.300 -0.010 0.000 1.428 376 D CA 2.102 56.098 54.000 -0.006 0.000 1.117 376 D CB -0.081 40.718 40.800 -0.002 0.000 1.120 376 D HN 0.927 nan 8.370 nan 0.000 0.543 377 G N 2.099 110.887 108.800 -0.020 0.000 2.162 377 G HA2 -0.346 3.615 3.960 0.001 0.000 0.260 377 G HA3 -0.346 3.615 3.960 0.001 0.000 0.260 377 G C 0.959 175.852 174.900 -0.011 0.000 0.976 377 G CA 0.437 45.525 45.100 -0.021 0.000 0.655 377 G HN 0.522 nan 8.290 nan 0.000 0.533 378 L N 1.010 122.230 121.223 -0.004 0.000 2.341 378 L HA 0.454 4.795 4.340 0.001 0.000 0.214 378 L C 2.457 179.342 176.870 0.025 0.000 1.115 378 L CA 2.643 57.488 54.840 0.010 0.000 0.820 378 L CB -0.742 41.327 42.059 0.017 0.000 0.944 378 L HN 0.229 nan 8.230 nan 0.000 0.452 379 G N -0.421 108.376 108.800 -0.005 0.000 2.433 379 G HA2 -0.268 3.692 3.960 0.001 0.000 0.216 379 G HA3 -0.268 3.692 3.960 0.001 0.000 0.216 379 G C 1.611 176.519 174.900 0.013 0.000 1.186 379 G CA 0.739 45.817 45.100 -0.036 0.000 0.779 379 G HN 0.572 nan 8.290 nan 0.000 0.543 380 A N 0.489 123.296 122.820 -0.021 0.000 1.978 380 A HA -0.048 4.273 4.320 0.001 0.000 0.220 380 A C 2.360 179.959 177.584 0.026 0.000 1.170 380 A CA 1.981 54.015 52.037 -0.004 0.000 0.636 380 A CB -0.287 18.700 19.000 -0.021 0.000 0.810 380 A HN 0.289 nan 8.150 nan 0.000 0.448 381 K N -0.395 120.020 120.400 0.026 0.000 1.984 381 K HA -0.061 4.260 4.320 0.001 0.000 0.209 381 K C 1.893 178.516 176.600 0.038 0.000 1.046 381 K CA 1.532 57.831 56.287 0.021 0.000 0.934 381 K CB -0.551 31.954 32.500 0.009 0.000 0.717 381 K HN 0.579 nan 8.250 nan 0.000 0.438 382 I N 1.186 121.803 120.570 0.078 0.000 2.264 382 I HA -0.277 3.893 4.170 0.001 0.000 0.248 382 I C 2.195 178.381 176.117 0.114 0.000 1.111 382 I CA 1.372 62.722 61.300 0.084 0.000 1.382 382 I CB -0.501 37.590 38.000 0.151 0.000 1.060 382 I HN 0.160 nan 8.210 nan 0.000 0.418 383 T N 0.111 114.797 114.554 0.220 0.000 2.867 383 T HA -0.173 4.178 4.350 0.001 0.000 0.268 383 T C 1.987 176.734 174.700 0.078 0.000 1.057 383 T CA 1.100 63.321 62.100 0.202 0.000 1.136 383 T CB -0.239 68.753 68.868 0.206 0.000 0.874 383 T HN 0.348 nan 8.240 nan 0.000 0.466 384 R N 1.103 121.631 120.500 0.047 0.000 2.062 384 R HA -0.092 4.248 4.340 0.001 0.000 0.231 384 R C 2.191 178.492 176.300 0.002 0.000 1.136 384 R CA 1.303 57.413 56.100 0.017 0.000 0.948 384 R CB -0.083 30.220 30.300 0.006 0.000 0.845 384 R HN 0.239 nan 8.270 nan 0.000 0.430 385 E N 0.421 120.617 120.200 -0.006 0.000 2.153 385 E HA -0.195 4.156 4.350 0.001 0.000 0.194 385 E C 2.147 178.722 176.600 -0.042 0.000 0.988 385 E CA 1.190 57.574 56.400 -0.027 0.000 0.811 385 E CB -0.433 29.245 29.700 -0.038 0.000 0.746 385 E HN 0.449 nan 8.360 nan 0.000 0.466 386 C N 0.577 119.849 119.300 -0.047 0.000 2.436 386 C HA -0.122 4.338 4.460 0.001 0.000 0.277 386 C C 2.756 177.716 174.990 -0.050 0.000 1.241 386 C CA 0.732 59.705 59.018 -0.075 0.000 1.721 386 C CB -0.819 26.862 27.740 -0.099 0.000 2.043 386 C HN 0.383 nan 8.230 nan 0.000 0.472 387 M N 2.210 121.798 119.600 -0.020 0.000 2.163 387 M HA -0.173 4.307 4.480 0.001 0.000 0.258 387 M C 1.839 178.130 176.300 -0.014 0.000 1.071 387 M CA 1.885 57.180 55.300 -0.008 0.000 1.093 387 M CB -0.973 31.632 32.600 0.009 0.000 1.285 387 M HN 0.357 nan 8.290 nan 0.000 0.420 388 N N 0.106 118.797 118.700 -0.015 0.000 2.132 388 N HA -0.187 4.553 4.740 0.001 0.000 0.191 388 N C 1.661 177.159 175.510 -0.020 0.000 1.015 388 N CA 1.806 54.847 53.050 -0.016 0.000 0.864 388 N CB -0.772 37.705 38.487 -0.017 0.000 1.006 388 N HN 0.455 nan 8.380 nan 0.000 0.430 389 L N -0.857 120.347 121.223 -0.031 0.000 2.492 389 L HA 0.170 4.510 4.340 0.001 0.000 0.223 389 L C 1.169 178.018 176.870 -0.034 0.000 1.132 389 L CA 0.444 55.262 54.840 -0.036 0.000 0.850 389 L CB -0.242 41.787 42.059 -0.051 0.000 0.966 389 L HN 0.266 nan 8.230 nan 0.000 0.454 390 G N 0.631 109.413 108.800 -0.031 0.000 2.141 390 G HA2 -0.218 3.743 3.960 0.001 0.000 0.195 390 G HA3 -0.218 3.743 3.960 0.001 0.000 0.195 390 G C -0.262 174.613 174.900 -0.041 0.000 1.012 390 G CA -0.406 44.683 45.100 -0.019 0.000 0.696 390 G HN 0.158 nan 8.290 nan 0.000 0.508 391 L N 1.531 122.705 121.223 -0.082 0.000 2.343 391 L HA 0.709 5.050 4.340 0.001 0.000 0.278 391 L C 0.203 177.020 176.870 -0.087 0.000 0.996 391 L CA -0.626 54.123 54.840 -0.151 0.000 0.831 391 L CB 1.783 43.703 42.059 -0.232 0.000 1.232 391 L HN 0.189 nan 8.230 nan 0.000 0.413 392 S N 6.602 122.272 115.700 -0.050 0.000 2.400 392 S HA 0.510 4.981 4.470 0.001 0.000 0.295 392 S C -0.033 174.613 174.600 0.076 0.000 1.113 392 S CA -0.695 57.519 58.200 0.023 0.000 1.064 392 S CB 0.103 63.328 63.200 0.042 0.000 0.990 392 S HN 0.547 nan 8.310 nan 0.000 0.502 393 M N 3.848 123.505 119.600 0.095 0.000 2.811 393 M HA 0.517 4.997 4.480 0.001 0.000 0.303 393 M C -0.128 176.288 176.300 0.193 0.000 1.227 393 M CA -0.784 54.622 55.300 0.177 0.000 0.874 393 M CB 1.473 34.192 32.600 0.200 0.000 1.681 393 M HN 0.711 nan 8.290 nan 0.000 0.500 394 N N 0.690 119.535 118.700 0.241 0.000 2.406 394 N HA 0.489 5.229 4.740 0.001 0.000 0.283 394 N C -2.358 173.179 175.510 0.046 0.000 1.074 394 N CA -0.340 52.779 53.050 0.115 0.000 0.916 394 N CB 2.860 41.381 38.487 0.057 0.000 1.639 394 N HN 0.749 nan 8.380 nan 0.000 0.485 395 I N 3.283 123.782 120.570 -0.118 0.000 2.474 395 I HA 0.487 4.657 4.170 0.001 0.000 0.294 395 I C -0.749 175.237 176.117 -0.218 0.000 1.005 395 I CA -0.710 60.396 61.300 -0.324 0.000 1.113 395 I CB 1.601 39.222 38.000 -0.631 0.000 1.289 395 I HN 0.329 nan 8.210 nan 0.000 0.436 396 V N 3.828 123.620 119.914 -0.202 0.000 2.667 396 V HA 0.714 4.834 4.120 0.001 0.000 0.308 396 V C -0.835 175.172 176.094 -0.145 0.000 1.048 396 V CA -0.494 61.712 62.300 -0.156 0.000 0.928 396 V CB 1.511 33.249 31.823 -0.141 0.000 1.004 396 V HN 0.885 nan 8.190 nan 0.000 0.444 397 Q N 2.879 122.612 119.800 -0.111 0.000 2.275 397 Q HA 0.751 5.092 4.340 0.001 0.000 0.266 397 Q C -1.901 174.069 176.000 -0.049 0.000 1.002 397 Q CA -0.289 55.464 55.803 -0.082 0.000 0.761 397 Q CB 1.767 30.454 28.738 -0.086 0.000 1.255 397 Q HN 0.893 nan 8.270 nan 0.000 0.446 398 L N 4.108 125.314 121.223 -0.027 0.000 2.260 398 L HA 0.770 5.111 4.340 0.001 0.000 0.265 398 L C -2.128 174.750 176.870 0.014 0.000 1.015 398 L CA -2.122 52.715 54.840 -0.005 0.000 0.826 398 L CB 1.329 43.385 42.059 -0.004 0.000 1.373 398 L HN 0.644 nan 8.230 nan 0.000 0.450 399 P HA 0.205 nan 4.420 nan 0.000 0.271 399 P C 0.391 177.719 177.300 0.047 0.000 1.216 399 P CA 0.218 63.338 63.100 0.034 0.000 0.776 399 P CB 0.591 32.315 31.700 0.041 0.000 0.881 400 G N 1.706 110.531 108.800 0.042 0.000 2.258 400 G HA2 -0.262 3.698 3.960 0.001 0.000 0.274 400 G HA3 -0.262 3.698 3.960 0.001 0.000 0.274 400 G C 0.034 174.978 174.900 0.074 0.000 1.021 400 G CA 0.176 45.304 45.100 0.046 0.000 0.798 400 G HN 0.473 nan 8.290 nan 0.000 0.507 401 M N -0.888 118.759 119.600 0.079 0.000 2.619 401 M HA 0.562 5.043 4.480 0.001 0.000 0.297 401 M C 0.706 177.056 176.300 0.083 0.000 1.229 401 M CA -0.231 55.143 55.300 0.123 0.000 0.860 401 M CB 2.234 34.902 32.600 0.113 0.000 1.741 401 M HN 0.217 nan 8.290 nan 0.000 0.462 402 G N -0.052 108.816 108.800 0.114 0.000 2.502 402 G HA2 0.588 4.549 3.960 0.001 0.000 0.305 402 G HA3 0.588 4.549 3.960 0.001 0.000 0.305 402 G C -0.128 174.783 174.900 0.019 0.000 1.190 402 G CA -0.584 44.559 45.100 0.070 0.000 0.933 402 G HN 0.823 nan 8.290 nan 0.000 0.503 403 G N -1.375 107.400 108.800 -0.042 0.000 2.398 403 G HA2 0.419 4.379 3.960 0.001 0.000 0.246 403 G HA3 0.419 4.379 3.960 0.001 0.000 0.246 403 G C -0.463 174.341 174.900 -0.159 0.000 1.289 403 G CA -0.079 44.939 45.100 -0.136 0.000 0.869 403 G HN 0.617 nan 8.290 nan 0.000 0.543 404 V N 2.961 122.764 119.914 -0.185 0.000 2.448 404 V HA 0.344 4.464 4.120 0.001 0.000 0.295 404 V C -0.592 175.385 176.094 -0.194 0.000 1.025 404 V CA -0.717 61.507 62.300 -0.127 0.000 0.859 404 V CB 1.262 33.047 31.823 -0.063 0.000 0.988 404 V HN 0.558 nan 8.190 nan 0.000 0.431 405 F N 4.151 124.090 119.950 -0.018 0.000 2.420 405 F HA 0.467 4.995 4.527 0.001 0.000 0.352 405 F C 1.092 176.880 175.800 -0.019 0.000 1.108 405 F CA -0.265 57.727 58.000 -0.013 0.000 1.162 405 F CB 0.786 39.787 39.000 0.001 0.000 1.118 405 F HN 0.294 nan 8.300 nan 0.000 0.510 406 R N 5.231 125.819 120.500 0.147 0.000 2.202 406 R HA 0.483 4.824 4.340 0.001 0.000 0.334 406 R C -0.861 175.489 176.300 0.082 0.000 1.036 406 R CA -0.377 55.763 56.100 0.066 0.000 0.878 406 R CB 0.851 31.152 30.300 0.003 0.000 1.067 406 R HN 0.585 nan 8.270 nan 0.000 0.457 407 I N 2.281 122.870 120.570 0.032 0.000 2.355 407 I HA 0.373 4.543 4.170 0.001 0.000 0.288 407 I C -0.026 176.005 176.117 -0.143 0.000 0.999 407 I CA -0.440 60.838 61.300 -0.037 0.000 1.163 407 I CB 1.818 39.790 38.000 -0.046 0.000 1.316 407 I HN 0.631 nan 8.210 nan 0.000 0.454 408 A N 8.213 130.926 122.820 -0.178 0.000 3.005 408 A HA 0.596 4.917 4.320 0.001 0.000 0.308 408 A C -2.793 174.658 177.584 -0.222 0.000 1.173 408 A CA -1.165 50.762 52.037 -0.184 0.000 0.796 408 A CB 0.265 19.207 19.000 -0.096 0.000 1.325 408 A HN 0.311 nan 8.150 nan 0.000 0.467 409 P HA 0.377 nan 4.420 nan 0.000 0.274 409 P C -2.721 174.467 177.300 -0.186 0.000 1.260 409 P CA -1.249 61.648 63.100 -0.337 0.000 0.793 409 P CB -0.212 31.157 31.700 -0.552 0.000 1.048 410 P HA 0.174 nan 4.420 nan 0.000 0.272 410 P C 0.967 178.218 177.300 -0.083 0.000 1.230 410 P CA 0.014 63.056 63.100 -0.095 0.000 0.788 410 P CB 0.312 31.969 31.700 -0.071 0.000 0.949 411 L N 0.540 121.723 121.223 -0.067 0.000 2.376 411 L HA -0.081 4.260 4.340 0.001 0.000 0.219 411 L C 1.624 178.476 176.870 -0.030 0.000 1.133 411 L CA 1.609 56.415 54.840 -0.057 0.000 0.816 411 L CB -0.960 41.065 42.059 -0.058 0.000 0.933 411 L HN 0.479 nan 8.230 nan 0.000 0.449 412 T N -2.941 111.608 114.554 -0.008 0.000 3.163 412 T HA 0.208 4.558 4.350 0.001 0.000 0.252 412 T C 0.595 175.306 174.700 0.017 0.000 1.056 412 T CA -0.411 61.704 62.100 0.024 0.000 0.947 412 T CB -0.835 68.077 68.868 0.074 0.000 1.016 412 T HN 0.021 nan 8.240 nan 0.000 0.554 413 V N 1.704 121.613 119.914 -0.009 0.000 3.178 413 V HA 0.428 4.548 4.120 0.001 0.000 0.306 413 V C 0.704 176.809 176.094 0.020 0.000 1.107 413 V CA -0.827 61.472 62.300 -0.002 0.000 1.195 413 V CB 0.069 31.878 31.823 -0.023 0.000 0.993 413 V HN 0.608 nan 8.190 nan 0.000 0.493 414 S N 0.631 116.355 115.700 0.041 0.000 2.718 414 S HA 0.472 4.943 4.470 0.001 0.000 0.300 414 S C 0.616 175.247 174.600 0.051 0.000 1.117 414 S CA -0.365 57.864 58.200 0.048 0.000 1.002 414 S CB 1.768 65.007 63.200 0.065 0.000 1.092 414 S HN 0.728 nan 8.310 nan 0.000 0.542 415 E N 1.185 121.411 120.200 0.045 0.000 2.070 415 E HA -0.201 4.150 4.350 0.001 0.000 0.197 415 E C 1.638 178.272 176.600 0.058 0.000 1.004 415 E CA 2.215 58.641 56.400 0.043 0.000 0.805 415 E CB -0.189 29.532 29.700 0.034 0.000 0.744 415 E HN 0.819 nan 8.360 nan 0.000 0.451 416 D N 0.374 120.812 120.400 0.064 0.000 2.104 416 D HA -0.229 4.411 4.640 0.001 0.000 0.194 416 D C 1.505 177.860 176.300 0.092 0.000 0.994 416 D CA 1.220 55.263 54.000 0.073 0.000 0.830 416 D CB -0.494 40.351 40.800 0.076 0.000 0.959 416 D HN 0.329 nan 8.370 nan 0.000 0.452 417 E N 0.445 120.711 120.200 0.109 0.000 2.153 417 E HA -0.062 4.288 4.350 0.001 0.000 0.194 417 E C 2.472 179.156 176.600 0.140 0.000 0.988 417 E CA 0.327 56.795 56.400 0.114 0.000 0.811 417 E CB 0.083 29.827 29.700 0.073 0.000 0.746 417 E HN 0.368 nan 8.360 nan 0.000 0.466 418 I N 1.400 122.061 120.570 0.151 0.000 2.233 418 I HA -0.219 3.952 4.170 0.001 0.000 0.243 418 I C 1.734 177.944 176.117 0.155 0.000 1.093 418 I CA 1.090 62.518 61.300 0.214 0.000 1.380 418 I CB -0.303 37.769 38.000 0.120 0.000 1.067 418 I HN 0.072 nan 8.210 nan 0.000 0.413 419 D N 0.879 121.333 120.400 0.090 0.000 2.104 419 D HA -0.194 4.446 4.640 0.001 0.000 0.194 419 D C 1.999 178.320 176.300 0.035 0.000 0.994 419 D CA 1.074 55.109 54.000 0.059 0.000 0.830 419 D CB -0.371 40.456 40.800 0.046 0.000 0.959 419 D HN 0.153 nan 8.370 nan 0.000 0.452 420 L N 1.000 122.241 121.223 0.031 0.000 1.971 420 L HA -0.085 4.255 4.340 0.001 0.000 0.215 420 L C 2.241 179.054 176.870 -0.095 0.000 1.072 420 L CA 2.503 57.340 54.840 -0.006 0.000 0.758 420 L CB -1.123 40.955 42.059 0.032 0.000 0.889 420 L HN 0.083 nan 8.230 nan 0.000 0.433 421 G N -0.659 108.015 108.800 -0.210 0.000 2.422 421 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 421 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 421 G C 1.551 176.295 174.900 -0.259 0.000 1.146 421 G CA 0.838 45.631 45.100 -0.512 0.000 0.769 421 G HN 0.376 nan 8.290 nan 0.000 0.547 422 L N 1.048 122.235 121.223 -0.061 0.000 2.127 422 L HA 0.002 4.343 4.340 0.001 0.000 0.211 422 L C 2.925 179.783 176.870 -0.020 0.000 1.089 422 L CA 1.584 56.429 54.840 0.008 0.000 0.757 422 L CB -0.716 41.378 42.059 0.059 0.000 0.899 422 L HN 0.186 nan 8.230 nan 0.000 0.434 423 S N -1.119 114.560 115.700 -0.035 0.000 2.348 423 S HA -0.025 4.446 4.470 0.001 0.000 0.219 423 S C 1.911 176.482 174.600 -0.048 0.000 1.033 423 S CA 0.744 58.930 58.200 -0.022 0.000 0.974 423 S CB -0.135 63.053 63.200 -0.019 0.000 0.868 423 S HN 0.359 nan 8.310 nan 0.000 0.459 424 L N 1.526 122.694 121.223 -0.091 0.000 2.043 424 L HA -0.150 4.190 4.340 0.001 0.000 0.212 424 L C 2.438 179.229 176.870 -0.132 0.000 1.075 424 L CA 1.112 55.885 54.840 -0.111 0.000 0.752 424 L CB -0.594 41.374 42.059 -0.152 0.000 0.891 424 L HN 0.334 nan 8.230 nan 0.000 0.432 425 L N -0.040 121.086 121.223 -0.162 0.000 2.042 425 L HA -0.172 4.168 4.340 0.001 0.000 0.210 425 L C 2.474 179.252 176.870 -0.154 0.000 1.076 425 L CA 1.973 56.699 54.840 -0.191 0.000 0.749 425 L CB -0.897 41.053 42.059 -0.182 0.000 0.893 425 L HN 0.333 nan 8.230 nan 0.000 0.432 426 G N -1.072 107.692 108.800 -0.061 0.000 2.440 426 G HA2 -0.293 3.667 3.960 0.001 0.000 0.218 426 G HA3 -0.293 3.667 3.960 0.001 0.000 0.218 426 G C 1.406 176.307 174.900 0.002 0.000 1.154 426 G CA 0.494 45.613 45.100 0.032 0.000 0.767 426 G HN 0.471 nan 8.290 nan 0.000 0.552 427 Q N 0.037 119.826 119.800 -0.019 0.000 2.119 427 Q HA 0.058 4.398 4.340 0.001 0.000 0.201 427 Q C 3.025 178.989 176.000 -0.061 0.000 0.972 427 Q CA 1.061 56.854 55.803 -0.017 0.000 0.847 427 Q CB -0.210 28.515 28.738 -0.022 0.000 0.903 427 Q HN 0.484 nan 8.270 nan 0.000 0.433 428 A N 0.954 123.711 122.820 -0.105 0.000 1.898 428 A HA -0.146 4.174 4.320 0.001 0.000 0.216 428 A C 2.009 179.495 177.584 -0.162 0.000 1.181 428 A CA 0.980 52.945 52.037 -0.119 0.000 0.620 428 A CB -0.518 18.399 19.000 -0.139 0.000 0.819 428 A HN 0.268 nan 8.150 nan 0.000 0.442 429 I N -0.895 119.514 120.570 -0.270 0.000 2.202 429 I HA -0.232 3.938 4.170 0.001 0.000 0.242 429 I C 2.548 178.437 176.117 -0.381 0.000 1.091 429 I CA 1.749 62.788 61.300 -0.434 0.000 1.368 429 I CB -0.490 36.994 38.000 -0.860 0.000 1.058 429 I HN 0.492 nan 8.210 nan 0.000 0.410 430 E N 1.545 121.586 120.200 -0.266 0.000 2.097 430 E HA -0.274 4.077 4.350 0.001 0.000 0.196 430 E C 2.118 178.726 176.600 0.014 0.000 1.000 430 E CA 1.499 57.912 56.400 0.022 0.000 0.804 430 E CB -0.014 29.781 29.700 0.158 0.000 0.740 430 E HN 0.441 nan 8.360 nan 0.000 0.454 431 R N -0.722 119.764 120.500 -0.023 0.000 2.320 431 R HA 0.218 4.558 4.340 0.001 0.000 0.211 431 R C 1.159 177.447 176.300 -0.020 0.000 0.931 431 R CA 0.716 56.810 56.100 -0.011 0.000 1.071 431 R CB 0.460 30.754 30.300 -0.010 0.000 1.025 431 R HN 0.066 nan 8.270 nan 0.000 0.495 432 A N 0.795 123.592 122.820 -0.039 0.000 2.343 432 A HA 0.308 4.628 4.320 0.001 0.000 0.223 432 A C 0.534 178.108 177.584 -0.017 0.000 1.214 432 A CA -0.412 51.606 52.037 -0.031 0.000 0.900 432 A CB 0.189 19.166 19.000 -0.038 0.000 0.942 432 A HN 0.218 nan 8.150 nan 0.000 0.507 433 L N 0.000 121.219 121.223 -0.007 0.000 2.949 433 L HA 0.000 4.340 4.340 0.001 0.000 0.249 433 L CA 0.000 54.851 54.840 0.018 0.000 0.813 433 L CB 0.000 42.087 42.059 0.047 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502