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 1or0_1_D DATA FIRST_RESID 1 DATA SEQUENCE SNSWAVAPGK TANGNALLLQ NPHLSWTTDY FTYYEAHLVT PDFEIYGATQ DATA SEQUENCE IGLPVIRFAF NQRXGITNTV NGXVGATNYR LTLQDGGYLY DGQVRPFERP DATA SEQUENCE QASYRLRQAD GTTVDKPLEI RSSVHGPVFE RADGTAVAVR VAGLDRPGXL DATA SEQUENCE EQYFDXITAD SFDDYEAALA RXQVPTFNIV YADREGTINY SFNGVAPKRA DATA SEQUENCE EGDIAFWQGL VPGDSSRYLW TETHPLDDLP RVTNPPGGFV QNSNDPPWTP DATA SEQUENCE TWPVTYTPKD FPSYLAPQTP HSLRAQQSVR LXSENDDLTL ERFXALQLSH DATA SEQUENCE RAVXADRTLP DLIPAALIDP DPEVQAAARL LAAWDREFTS DSRAALLFEE DATA SEQUENCE WARLFAGQNF AGQAGFATPW SLDKPVSTPY GVRDPKAAVD QLRTAIANTK DATA SEQUENCE RKYGAIDRPF GDASRXILND VNVPGAAGYG NLGSFRVFTW SDPDENGVRT DATA SEQUENCE PVHGETWVAX IEFSTPVRAY GLXSYGNSRQ PGTTHYSDQI ERVSRADFRE DATA SEQUENCE LLLRREQVEA AVQERTPFNF K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.300 174.600 -0.499 0.000 1.055 1 S CA 0.000 57.856 58.200 -0.573 0.000 1.107 1 S CB 0.000 63.071 63.200 -0.214 0.000 0.593 2 N N 1.252 119.554 118.700 -0.663 0.000 2.402 2 N HA 0.819 5.376 4.740 -0.305 0.000 0.294 2 N C -1.210 174.132 175.510 -0.280 0.000 1.203 2 N CA -0.691 52.052 53.050 -0.511 0.000 0.838 2 N CB 1.963 39.888 38.487 -0.938 0.000 1.306 2 N HN 0.797 nan 8.380 nan 0.000 0.510 3 S N -0.429 115.186 115.700 -0.142 0.000 2.592 3 S HA 0.569 4.856 4.470 -0.305 0.000 0.275 3 S C -1.954 172.814 174.600 0.281 0.000 1.169 3 S CA -0.964 57.274 58.200 0.064 0.000 0.958 3 S CB 0.926 64.227 63.200 0.168 0.000 1.095 3 S HN 0.456 nan 8.310 nan 0.000 0.471 4 W N 1.244 122.696 121.300 0.253 0.000 2.915 4 W HA 0.818 5.293 4.660 -0.309 0.000 0.337 4 W C -0.518 176.198 176.519 0.328 0.000 1.102 4 W CA -1.161 56.372 57.345 0.314 0.000 1.224 4 W CB 2.237 31.903 29.460 0.343 0.000 1.416 4 W HN 1.137 nan 8.180 nan 0.000 0.503 5 A N 2.373 125.492 122.820 0.498 0.000 2.402 5 A HA 0.762 4.899 4.320 -0.305 0.000 0.291 5 A C -1.727 175.984 177.584 0.212 0.000 1.051 5 A CA -0.543 51.669 52.037 0.291 0.000 0.716 5 A CB 1.261 20.400 19.000 0.231 0.000 1.223 5 A HN 0.259 nan 8.150 nan 0.000 0.425 6 V N 2.062 122.013 119.914 0.062 0.000 2.495 6 V HA 0.694 4.631 4.120 -0.305 0.000 0.298 6 V C 0.817 176.895 176.094 -0.027 0.000 1.031 6 V CA -0.325 61.980 62.300 0.008 0.000 0.871 6 V CB 1.423 33.156 31.823 -0.150 0.000 0.988 6 V HN 1.278 nan 8.190 nan 0.000 0.432 7 A N 6.120 128.942 122.820 0.004 0.000 2.366 7 A HA 0.537 4.674 4.320 -0.305 0.000 0.249 7 A C -1.419 176.141 177.584 -0.040 0.000 1.084 7 A CA -1.018 51.005 52.037 -0.023 0.000 0.794 7 A CB 0.009 19.002 19.000 -0.011 0.000 1.034 7 A HN 0.701 nan 8.150 nan 0.000 0.491 8 P HA -0.160 nan 4.420 nan 0.000 0.216 8 P C 1.613 178.890 177.300 -0.038 0.000 1.153 8 P CA 2.103 65.177 63.100 -0.043 0.000 0.858 8 P CB 0.067 31.746 31.700 -0.035 0.000 0.789 9 G N -0.474 108.309 108.800 -0.029 0.000 2.470 9 G HA2 -0.255 3.522 3.960 -0.305 0.000 0.220 9 G HA3 -0.255 3.522 3.960 -0.305 0.000 0.220 9 G C 1.469 176.353 174.900 -0.025 0.000 1.121 9 G CA 0.535 45.620 45.100 -0.024 0.000 0.766 9 G HN 0.305 nan 8.290 nan 0.000 0.553 10 K N 0.484 120.868 120.400 -0.028 0.000 2.404 10 K HA 0.098 4.234 4.320 -0.305 0.000 0.194 10 K C 0.664 177.224 176.600 -0.067 0.000 1.023 10 K CA 0.367 56.632 56.287 -0.036 0.000 1.094 10 K CB 0.154 32.646 32.500 -0.015 0.000 0.841 10 K HN 0.405 nan 8.250 nan 0.000 0.523 11 T N -4.387 110.124 114.554 -0.071 0.000 2.950 11 T HA 0.538 4.705 4.350 -0.305 0.000 0.288 11 T C 0.994 175.655 174.700 -0.066 0.000 1.035 11 T CA -0.573 61.475 62.100 -0.087 0.000 1.028 11 T CB 1.868 70.671 68.868 -0.108 0.000 1.109 11 T HN -0.038 nan 8.240 nan 0.000 0.514 12 A N 0.958 123.738 122.820 -0.066 0.000 1.898 12 A HA 0.073 4.210 4.320 -0.305 0.000 0.214 12 A C 2.028 179.585 177.584 -0.045 0.000 1.183 12 A CA 0.944 52.950 52.037 -0.051 0.000 0.622 12 A CB -0.972 17.999 19.000 -0.050 0.000 0.824 12 A HN 0.927 nan 8.150 nan 0.000 0.444 13 N N -1.285 117.385 118.700 -0.050 0.000 2.422 13 N HA 0.228 4.785 4.740 -0.305 0.000 0.181 13 N C 0.886 176.375 175.510 -0.035 0.000 1.080 13 N CA 0.388 53.414 53.050 -0.040 0.000 0.893 13 N CB 0.217 38.679 38.487 -0.043 0.000 0.973 13 N HN 0.592 nan 8.380 nan 0.000 0.456 14 G N 1.003 109.778 108.800 -0.041 0.000 2.132 14 G HA2 -0.204 3.573 3.960 -0.305 0.000 0.234 14 G HA3 -0.204 3.573 3.960 -0.305 0.000 0.234 14 G C -0.651 174.231 174.900 -0.030 0.000 0.989 14 G CA -0.415 44.665 45.100 -0.034 0.000 0.676 14 G HN 0.269 nan 8.290 nan 0.000 0.522 15 N N 0.336 119.014 118.700 -0.037 0.000 2.269 15 N HA 0.665 5.222 4.740 -0.305 0.000 0.304 15 N C 0.386 175.880 175.510 -0.028 0.000 1.072 15 N CA 0.227 53.268 53.050 -0.014 0.000 0.802 15 N CB 1.866 40.352 38.487 -0.003 0.000 1.348 15 N HN 0.625 nan 8.380 nan 0.000 0.484 16 A N 1.885 124.711 122.820 0.010 0.000 2.483 16 A HA 0.374 4.511 4.320 -0.305 0.000 0.238 16 A C 0.031 177.631 177.584 0.028 0.000 1.070 16 A CA 0.158 52.194 52.037 -0.002 0.000 0.770 16 A CB 0.024 19.005 19.000 -0.032 0.000 1.008 16 A HN 0.629 nan 8.150 nan 0.000 0.497 17 L N 1.290 122.433 121.223 -0.135 0.000 2.342 17 L HA 0.709 4.866 4.340 -0.305 0.000 0.271 17 L C -0.708 176.073 176.870 -0.149 0.000 1.008 17 L CA -0.844 53.789 54.840 -0.345 0.000 0.818 17 L CB 1.730 43.191 42.059 -0.997 0.000 1.296 17 L HN 0.680 nan 8.230 nan 0.000 0.427 18 L N 3.004 124.224 121.223 -0.005 0.000 2.431 18 L HA 0.655 4.812 4.340 -0.305 0.000 0.266 18 L C -1.641 175.445 176.870 0.362 0.000 0.978 18 L CA -0.451 54.534 54.840 0.242 0.000 0.822 18 L CB 2.085 44.316 42.059 0.288 0.000 1.310 18 L HN 0.478 nan 8.230 nan 0.000 0.409 19 L N 3.908 125.395 121.223 0.440 0.000 2.325 19 L HA 0.594 4.751 4.340 -0.305 0.000 0.281 19 L C -1.049 175.894 176.870 0.122 0.000 1.004 19 L CA 0.108 55.096 54.840 0.247 0.000 0.823 19 L CB 1.698 43.859 42.059 0.170 0.000 1.236 19 L HN 0.726 nan 8.230 nan 0.000 0.415 20 Q N 4.661 124.480 119.800 0.032 0.000 2.325 20 Q HA 0.393 4.550 4.340 -0.305 0.000 0.262 20 Q C -0.609 175.285 176.000 -0.177 0.000 0.968 20 Q CA -0.134 55.725 55.803 0.094 0.000 0.877 20 Q CB 1.363 30.269 28.738 0.281 0.000 1.253 20 Q HN 0.728 nan 8.270 nan 0.000 0.448 21 N N 2.676 121.254 118.700 -0.205 0.000 2.639 21 N HA 0.151 4.708 4.740 -0.305 0.000 0.265 21 N C -2.731 172.475 175.510 -0.506 0.000 1.689 21 N CA -1.192 51.618 53.050 -0.400 0.000 0.813 21 N CB 1.001 39.212 38.487 -0.460 0.000 1.353 21 N HN 0.339 nan 8.380 nan 0.000 0.510 22 P HA 0.055 nan 4.420 nan 0.000 0.271 22 P C -1.113 176.021 177.300 -0.277 0.000 1.216 22 P CA 0.559 63.418 63.100 -0.402 0.000 0.776 22 P CB 0.775 32.078 31.700 -0.661 0.000 0.881 23 H N 2.260 121.221 119.070 -0.182 0.000 2.551 23 H HA 0.566 4.938 4.556 -0.306 0.000 0.321 23 H C 0.073 175.244 175.328 -0.262 0.000 1.028 23 H CA -0.750 55.113 56.048 -0.307 0.000 1.215 23 H CB 1.130 30.704 29.762 -0.314 0.000 1.414 23 H HN 0.288 nan 8.280 nan 0.000 0.480 24 L N 0.857 121.994 121.223 -0.143 0.000 2.502 24 L HA 0.266 4.423 4.340 -0.305 0.000 0.253 24 L C -0.000 176.992 176.870 0.204 0.000 1.070 24 L CA -1.012 53.838 54.840 0.016 0.000 0.871 24 L CB 2.340 44.384 42.059 -0.026 0.000 1.487 24 L HN 0.458 nan 8.230 nan 0.000 0.408 25 S N -0.532 115.385 115.700 0.361 0.000 2.558 25 S HA -0.020 4.267 4.470 -0.305 0.000 0.288 25 S C 0.032 174.961 174.600 0.549 0.000 1.318 25 S CA 0.194 58.650 58.200 0.427 0.000 1.056 25 S CB 0.236 63.663 63.200 0.379 0.000 0.853 25 S HN 0.449 nan 8.310 nan 0.000 0.505 26 W N 2.606 124.035 121.300 0.216 0.000 3.256 26 W HA 0.186 4.663 4.660 -0.304 0.000 0.269 26 W C 2.148 178.732 176.519 0.109 0.000 1.310 26 W CA 0.435 57.952 57.345 0.287 0.000 1.673 26 W CB -0.955 28.671 29.460 0.276 0.000 1.115 26 W HN 0.968 nan 8.180 nan 0.000 0.686 27 T N -6.453 108.256 114.554 0.258 0.000 3.115 27 T HA 0.081 4.248 4.350 -0.305 0.000 0.256 27 T C 0.898 175.579 174.700 -0.030 0.000 0.970 27 T CA 0.119 62.276 62.100 0.095 0.000 1.010 27 T CB -0.324 68.606 68.868 0.103 0.000 1.151 27 T HN -0.284 nan 8.240 nan 0.000 0.479 28 T N 4.629 119.160 114.554 -0.039 0.000 2.778 28 T HA 0.072 4.239 4.350 -0.305 0.000 0.282 28 T C 1.102 175.579 174.700 -0.371 0.000 0.983 28 T CA 0.584 62.517 62.100 -0.278 0.000 1.193 28 T CB 0.554 69.193 68.868 -0.381 0.000 0.938 28 T HN 0.566 nan 8.240 nan 0.000 0.523 29 D N 3.721 123.884 120.400 -0.394 0.000 2.106 29 D HA -0.267 4.190 4.640 -0.305 0.000 0.191 29 D C 1.655 177.800 176.300 -0.258 0.000 0.997 29 D CA 1.788 55.618 54.000 -0.284 0.000 0.834 29 D CB -0.724 39.962 40.800 -0.189 0.000 0.956 29 D HN 0.842 nan 8.370 nan 0.000 0.448 30 Y N -1.722 118.464 120.300 -0.191 0.000 2.632 30 Y HA 0.247 4.614 4.550 -0.305 0.000 0.301 30 Y C 1.567 177.419 175.900 -0.080 0.000 1.172 30 Y CA -0.293 57.698 58.100 -0.181 0.000 1.328 30 Y CB -1.224 37.093 38.460 -0.239 0.000 1.016 30 Y HN 0.022 nan 8.280 nan 0.000 0.529 31 F N 0.149 120.000 119.950 -0.167 0.000 2.695 31 F HA 0.178 4.522 4.527 -0.304 0.000 0.303 31 F C 0.608 176.220 175.800 -0.314 0.000 1.091 31 F CA -0.564 57.337 58.000 -0.165 0.000 1.300 31 F CB 0.363 39.309 39.000 -0.090 0.000 1.071 31 F HN -0.159 nan 8.300 nan 0.000 0.578 32 T N 1.064 115.560 114.554 -0.097 0.000 2.853 32 T HA 0.021 4.188 4.350 -0.305 0.000 0.298 32 T C -0.565 174.062 174.700 -0.121 0.000 0.978 32 T CA 0.404 62.410 62.100 -0.158 0.000 1.152 32 T CB 0.040 68.784 68.868 -0.207 0.000 0.914 32 T HN 0.018 nan 8.240 nan 0.000 0.539 33 Y N 1.864 122.302 120.300 0.229 0.000 2.320 33 Y HA 0.459 4.826 4.550 -0.305 0.000 0.324 33 Y C -0.141 175.883 175.900 0.207 0.000 1.190 33 Y CA -0.815 57.390 58.100 0.174 0.000 1.215 33 Y CB 0.998 39.519 38.460 0.102 0.000 1.221 33 Y HN 0.596 nan 8.280 nan 0.000 0.486 34 Y N 2.410 122.775 120.300 0.109 0.000 2.406 34 Y HA 0.298 4.664 4.550 -0.305 0.000 0.340 34 Y C -0.853 174.935 175.900 -0.187 0.000 0.975 34 Y CA -1.527 56.560 58.100 -0.020 0.000 1.056 34 Y CB 1.403 39.842 38.460 -0.035 0.000 1.210 34 Y HN 0.643 nan 8.280 nan 0.000 0.448 35 E N 4.429 124.236 120.200 -0.656 0.000 2.227 35 E HA 0.754 4.921 4.350 -0.305 0.000 0.282 35 E C -1.430 174.596 176.600 -0.957 0.000 1.015 35 E CA -0.432 55.482 56.400 -0.811 0.000 0.823 35 E CB 0.914 30.258 29.700 -0.592 0.000 1.081 35 E HN 0.827 nan 8.360 nan 0.000 0.396 36 A N 4.250 126.576 122.820 -0.824 0.000 2.599 36 A HA 0.427 4.564 4.320 -0.305 0.000 0.290 36 A C -1.857 175.324 177.584 -0.671 0.000 1.101 36 A CA -0.619 51.028 52.037 -0.651 0.000 0.674 36 A CB 1.529 20.269 19.000 -0.433 0.000 1.277 36 A HN 0.816 nan 8.150 nan 0.000 0.419 37 H N 0.170 118.935 119.070 -0.509 0.000 2.782 37 H HA 0.631 5.004 4.556 -0.305 0.000 0.347 37 H C -2.077 173.180 175.328 -0.119 0.000 1.038 37 H CA -0.697 55.136 56.048 -0.358 0.000 1.255 37 H CB 1.037 30.670 29.762 -0.215 0.000 1.623 37 H HN 0.450 nan 8.280 nan 0.000 0.525 38 L N 5.552 126.805 121.223 0.051 0.000 2.362 38 L HA 0.447 4.604 4.340 -0.305 0.000 0.275 38 L C -0.931 175.888 176.870 -0.085 0.000 0.998 38 L CA -0.688 54.151 54.840 -0.001 0.000 0.820 38 L CB 1.923 44.107 42.059 0.208 0.000 1.270 38 L HN 0.393 nan 8.230 nan 0.000 0.415 39 V N 1.491 121.261 119.914 -0.240 0.000 2.623 39 V HA 0.796 4.733 4.120 -0.305 0.000 0.304 39 V C -0.156 175.732 176.094 -0.342 0.000 1.054 39 V CA -0.476 61.653 62.300 -0.286 0.000 0.882 39 V CB 2.100 33.755 31.823 -0.281 0.000 1.002 39 V HN 0.885 nan 8.190 nan 0.000 0.424 40 T N 1.908 116.162 114.554 -0.500 0.000 2.831 40 T HA 0.588 4.755 4.350 -0.305 0.000 0.287 40 T C -2.375 172.166 174.700 -0.266 0.000 1.070 40 T CA -1.835 60.014 62.100 -0.420 0.000 1.010 40 T CB 2.145 70.634 68.868 -0.631 0.000 1.264 40 T HN 0.314 nan 8.240 nan 0.000 0.532 41 P HA 0.105 nan 4.420 nan 0.000 0.222 41 P C 0.454 177.733 177.300 -0.034 0.000 1.147 41 P CA 0.789 63.847 63.100 -0.069 0.000 0.790 41 P CB 0.091 31.771 31.700 -0.033 0.000 0.780 42 D N -2.010 118.369 120.400 -0.035 0.000 2.417 42 D HA 0.148 4.605 4.640 -0.305 0.000 0.207 42 D C 0.467 176.883 176.300 0.193 0.000 1.075 42 D CA 0.384 54.438 54.000 0.089 0.000 0.851 42 D CB 0.386 41.291 40.800 0.176 0.000 0.976 42 D HN 0.256 nan 8.370 nan 0.000 0.505 43 F N -0.440 119.552 119.950 0.071 0.000 2.713 43 F HA 0.626 4.970 4.527 -0.305 0.000 0.311 43 F C -1.482 174.365 175.800 0.078 0.000 1.141 43 F CA -1.261 56.778 58.000 0.065 0.000 0.939 43 F CB 1.673 40.703 39.000 0.050 0.000 1.325 43 F HN -0.328 nan 8.300 nan 0.000 0.453 44 E N 2.206 122.645 120.200 0.397 0.000 2.308 44 E HA 0.728 4.895 4.350 -0.305 0.000 0.275 44 E C -1.782 175.035 176.600 0.361 0.000 0.890 44 E CA -0.950 55.633 56.400 0.305 0.000 0.754 44 E CB 2.776 32.606 29.700 0.216 0.000 1.207 44 E HN 0.848 nan 8.360 nan 0.000 0.426 45 I N 0.985 121.769 120.570 0.357 0.000 2.692 45 I HA 0.557 4.544 4.170 -0.305 0.000 0.293 45 I C -1.866 174.344 176.117 0.155 0.000 1.200 45 I CA -1.009 60.424 61.300 0.222 0.000 1.036 45 I CB 1.823 39.952 38.000 0.215 0.000 1.258 45 I HN 0.582 nan 8.210 nan 0.000 0.421 46 Y N 4.169 124.323 120.300 -0.243 0.000 2.442 46 Y HA 0.863 5.230 4.550 -0.305 0.000 0.344 46 Y C 0.008 175.628 175.900 -0.466 0.000 0.976 46 Y CA 0.271 58.095 58.100 -0.459 0.000 1.040 46 Y CB 2.229 40.131 38.460 -0.930 0.000 1.228 46 Y HN 1.128 nan 8.280 nan 0.000 0.451 47 G N 1.922 110.479 108.800 -0.405 0.000 2.343 47 G HA2 0.484 4.261 3.960 -0.305 0.000 0.289 47 G HA3 0.484 4.261 3.960 -0.305 0.000 0.289 47 G C -2.126 172.432 174.900 -0.570 0.000 1.295 47 G CA -0.352 44.616 45.100 -0.220 0.000 0.869 47 G HN 0.980 nan 8.290 nan 0.000 0.522 48 A N -1.098 121.329 122.820 -0.654 0.000 2.337 48 A HA 0.984 5.121 4.320 -0.305 0.000 0.331 48 A C -0.003 177.541 177.584 -0.067 0.000 1.137 48 A CA 0.181 51.824 52.037 -0.656 0.000 0.807 48 A CB 2.059 20.252 19.000 -1.345 0.000 1.250 48 A HN 1.804 nan 8.150 nan 0.000 0.468 49 T N -0.106 114.531 114.554 0.138 0.000 2.802 49 T HA 0.437 4.604 4.350 -0.305 0.000 0.311 49 T C -1.276 173.597 174.700 0.287 0.000 1.405 49 T CA -0.441 61.832 62.100 0.289 0.000 1.016 49 T CB 1.210 70.138 68.868 0.100 0.000 1.352 49 T HN 0.713 nan 8.240 nan 0.000 0.498 50 Q N 1.932 121.823 119.800 0.152 0.000 2.352 50 Q HA 0.460 4.617 4.340 -0.305 0.000 0.260 50 Q C 0.417 176.427 176.000 0.017 0.000 0.976 50 Q CA -0.236 55.553 55.803 -0.023 0.000 0.881 50 Q CB 0.324 29.049 28.738 -0.020 0.000 1.235 50 Q HN 0.650 nan 8.270 nan 0.000 0.419 51 I N -1.043 119.515 120.570 -0.018 0.000 2.845 51 I HA 0.207 4.194 4.170 -0.305 0.000 0.296 51 I C 1.089 177.178 176.117 -0.046 0.000 1.216 51 I CA 0.795 62.059 61.300 -0.059 0.000 1.438 51 I CB -0.037 37.894 38.000 -0.116 0.000 1.342 51 I HN 0.798 nan 8.210 nan 0.000 0.577 52 G N 4.840 113.602 108.800 -0.064 0.000 2.258 52 G HA2 -0.211 3.566 3.960 -0.305 0.000 0.233 52 G HA3 -0.211 3.566 3.960 -0.305 0.000 0.233 52 G C 0.113 174.992 174.900 -0.034 0.000 1.006 52 G CA -0.009 45.061 45.100 -0.051 0.000 0.620 52 G HN 0.643 nan 8.290 nan 0.000 0.511 53 L N 2.252 123.465 121.223 -0.017 0.000 2.305 53 L HA 0.370 4.527 4.340 -0.305 0.000 0.281 53 L C -0.538 176.319 176.870 -0.021 0.000 1.085 53 L CA -1.404 53.428 54.840 -0.014 0.000 0.813 53 L CB 1.295 43.349 42.059 -0.008 0.000 1.157 53 L HN 0.047 nan 8.230 nan 0.000 0.436 54 P HA 0.032 nan 4.420 nan 0.000 0.255 54 P C -0.316 176.961 177.300 -0.038 0.000 1.248 54 P CA 0.341 63.412 63.100 -0.047 0.000 0.807 54 P CB 0.329 31.986 31.700 -0.073 0.000 1.150 55 V N -2.969 116.933 119.914 -0.021 0.000 2.876 55 V HA 0.527 4.464 4.120 -0.305 0.000 0.312 55 V C -0.292 175.789 176.094 -0.022 0.000 1.085 55 V CA -1.480 60.828 62.300 0.013 0.000 0.945 55 V CB 2.395 34.255 31.823 0.062 0.000 1.017 55 V HN -0.239 nan 8.190 nan 0.000 0.428 56 I N 3.923 124.500 120.570 0.011 0.000 2.337 56 I HA 0.420 4.407 4.170 -0.305 0.000 0.291 56 I C 1.524 177.606 176.117 -0.058 0.000 1.046 56 I CA -0.293 61.001 61.300 -0.010 0.000 1.324 56 I CB 1.103 39.105 38.000 0.003 0.000 1.409 56 I HN 0.722 nan 8.210 nan 0.000 0.494 57 R N 4.243 124.664 120.500 -0.133 0.000 2.090 57 R HA 0.017 4.174 4.340 -0.305 0.000 0.228 57 R C -0.059 176.072 176.300 -0.282 0.000 1.110 57 R CA 1.183 57.065 56.100 -0.363 0.000 0.973 57 R CB 0.051 30.066 30.300 -0.474 0.000 0.869 57 R HN 0.385 nan 8.270 nan 0.000 0.440 58 F N 0.865 120.818 119.950 0.004 0.000 2.318 58 F HA 0.403 4.747 4.527 -0.306 0.000 0.356 58 F C 0.223 176.124 175.800 0.168 0.000 1.109 58 F CA -0.708 57.360 58.000 0.113 0.000 1.234 58 F CB 0.929 39.991 39.000 0.104 0.000 1.545 58 F HN -0.067 nan 8.300 nan 0.000 0.534 59 A N 2.900 125.889 122.820 0.281 0.000 2.354 59 A HA 0.966 5.103 4.320 -0.305 0.000 0.321 59 A C -1.134 176.681 177.584 0.386 0.000 1.125 59 A CA -0.564 51.623 52.037 0.249 0.000 0.799 59 A CB 1.543 20.630 19.000 0.145 0.000 1.293 59 A HN 0.559 nan 8.150 nan 0.000 0.452 60 F N -0.180 119.915 119.950 0.241 0.000 2.719 60 F HA 0.730 5.074 4.527 -0.304 0.000 0.309 60 F C -0.882 175.046 175.800 0.214 0.000 1.138 60 F CA -1.015 57.128 58.000 0.238 0.000 0.943 60 F CB 0.840 39.977 39.000 0.227 0.000 1.304 60 F HN 0.758 nan 8.300 nan 0.000 0.445 61 N N -0.474 118.474 118.700 0.414 0.000 3.506 61 N HA 0.266 4.823 4.740 -0.305 0.000 0.331 61 N C -0.093 175.623 175.510 0.343 0.000 1.631 61 N CA -0.690 52.513 53.050 0.256 0.000 0.786 61 N CB 0.226 38.830 38.487 0.194 0.000 2.023 61 N HN 0.518 nan 8.380 nan 0.000 0.621 62 Q N -0.665 119.273 119.800 0.230 0.000 2.364 62 Q HA 0.026 4.183 4.340 -0.305 0.000 0.207 62 Q C 0.163 176.316 176.000 0.254 0.000 0.970 62 Q CA 1.024 56.950 55.803 0.204 0.000 0.888 62 Q CB 0.039 28.859 28.738 0.136 0.000 0.951 62 Q HN 0.451 nan 8.270 nan 0.000 0.469 66 I N -2.241 118.420 120.570 0.151 0.000 3.191 66 I HA 0.965 4.952 4.170 -0.305 0.000 0.313 66 I C -0.710 175.509 176.117 0.170 0.000 1.193 66 I CA -1.015 60.367 61.300 0.138 0.000 0.968 66 I CB 2.359 40.463 38.000 0.173 0.000 1.262 66 I HN 0.757 nan 8.210 nan 0.000 0.456 67 T N 0.820 115.444 114.554 0.117 0.000 2.821 67 T HA 0.509 4.676 4.350 -0.305 0.000 0.306 67 T C -1.652 173.003 174.700 -0.076 0.000 1.313 67 T CA -0.679 61.454 62.100 0.055 0.000 1.012 67 T CB 1.804 70.832 68.868 0.267 0.000 1.298 67 T HN 0.859 nan 8.240 nan 0.000 0.502 68 N N 0.829 119.391 118.700 -0.231 0.000 2.405 68 N HA 0.705 5.262 4.740 -0.305 0.000 0.285 68 N C -1.243 174.305 175.510 0.064 0.000 1.262 68 N CA -0.646 52.308 53.050 -0.159 0.000 0.773 68 N CB 2.348 40.518 38.487 -0.529 0.000 1.490 68 N HN 0.873 nan 8.380 nan 0.000 0.486 69 T N -3.390 111.222 114.554 0.097 0.000 2.853 69 T HA 0.357 4.524 4.350 -0.305 0.000 0.311 69 T C -0.687 174.149 174.700 0.227 0.000 1.307 69 T CA -0.665 61.519 62.100 0.139 0.000 1.019 69 T CB 0.860 69.795 68.868 0.112 0.000 1.264 69 T HN 0.092 nan 8.240 nan 0.000 0.497 70 V N 3.646 123.694 119.914 0.222 0.000 2.521 70 V HA 0.248 4.185 4.120 -0.305 0.000 0.286 70 V C 1.093 177.260 176.094 0.121 0.000 1.034 70 V CA -0.084 62.359 62.300 0.238 0.000 1.045 70 V CB 0.466 32.403 31.823 0.189 0.000 0.974 70 V HN 1.045 nan 8.190 nan 0.000 0.480 71 N N 3.514 122.231 118.700 0.029 0.000 2.197 71 N HA 0.216 4.773 4.740 -0.305 0.000 0.201 71 N C 0.678 176.159 175.510 -0.049 0.000 1.148 71 N CA 0.504 53.521 53.050 -0.054 0.000 0.883 71 N CB 0.577 38.827 38.487 -0.395 0.000 1.012 71 N HN 0.912 nan 8.380 nan 0.000 0.507 75 G N 1.347 110.099 108.800 -0.081 0.000 3.189 75 G HA2 0.605 4.382 3.960 -0.305 0.000 0.225 75 G HA3 0.605 4.382 3.960 -0.305 0.000 0.225 75 G C 0.360 175.246 174.900 -0.024 0.000 1.159 75 G CA 0.726 45.756 45.100 -0.116 0.000 0.763 75 G HN 1.080 nan 8.290 nan 0.000 0.549 76 A N -0.601 122.248 122.820 0.048 0.000 2.498 76 A HA 0.812 4.949 4.320 -0.305 0.000 0.298 76 A C -0.703 177.015 177.584 0.223 0.000 1.075 76 A CA -0.441 51.710 52.037 0.190 0.000 0.714 76 A CB 1.657 20.730 19.000 0.121 0.000 1.299 76 A HN 0.027 nan 8.150 nan 0.000 0.407 77 T N 2.297 117.057 114.554 0.344 0.000 2.848 77 T HA 0.440 4.607 4.350 -0.305 0.000 0.285 77 T C -0.801 173.887 174.700 -0.019 0.000 0.995 77 T CA -0.629 61.573 62.100 0.169 0.000 0.970 77 T CB 0.962 70.005 68.868 0.292 0.000 0.976 77 T HN 0.565 nan 8.240 nan 0.000 0.441 78 N N 2.498 121.104 118.700 -0.156 0.000 2.425 78 N HA 0.338 4.895 4.740 -0.305 0.000 0.268 78 N C -1.307 174.044 175.510 -0.264 0.000 0.991 78 N CA -0.294 52.690 53.050 -0.111 0.000 0.931 78 N CB 1.068 39.507 38.487 -0.080 0.000 1.130 78 N HN 0.527 nan 8.380 nan 0.000 0.493 79 Y N 0.418 120.659 120.300 -0.097 0.000 2.360 79 Y HA 0.315 4.683 4.550 -0.304 0.000 0.337 79 Y C 1.005 176.804 175.900 -0.168 0.000 1.039 79 Y CA -0.851 57.135 58.100 -0.190 0.000 1.109 79 Y CB 1.500 39.711 38.460 -0.415 0.000 1.201 79 Y HN 0.201 nan 8.280 nan 0.000 0.458 80 R N 4.608 125.113 120.500 0.008 0.000 2.216 80 R HA 0.383 4.540 4.340 -0.305 0.000 0.332 80 R C -1.272 175.049 176.300 0.036 0.000 1.056 80 R CA -0.196 55.909 56.100 0.008 0.000 0.901 80 R CB 0.103 30.398 30.300 -0.009 0.000 1.039 80 R HN 0.786 nan 8.270 nan 0.000 0.456 81 L N 3.120 124.369 121.223 0.044 0.000 2.399 81 L HA 0.316 4.473 4.340 -0.305 0.000 0.266 81 L C 0.249 177.199 176.870 0.132 0.000 1.114 81 L CA -0.533 54.361 54.840 0.091 0.000 0.804 81 L CB 1.853 43.972 42.059 0.101 0.000 1.146 81 L HN 0.610 nan 8.230 nan 0.000 0.451 82 T N 3.655 118.316 114.554 0.178 0.000 2.801 82 T HA 0.434 4.601 4.350 -0.305 0.000 0.306 82 T C 0.022 174.831 174.700 0.183 0.000 1.020 82 T CA -0.453 61.739 62.100 0.153 0.000 0.948 82 T CB 0.214 69.163 68.868 0.134 0.000 0.962 82 T HN 0.253 nan 8.240 nan 0.000 0.465 83 L N 3.743 125.070 121.223 0.174 0.000 2.380 83 L HA 0.516 4.673 4.340 -0.305 0.000 0.273 83 L C 0.359 177.309 176.870 0.133 0.000 1.138 83 L CA -0.158 54.803 54.840 0.200 0.000 0.832 83 L CB 0.613 42.789 42.059 0.196 0.000 1.124 83 L HN 0.568 nan 8.230 nan 0.000 0.454 84 Q N 2.186 122.056 119.800 0.116 0.000 2.403 84 Q HA 0.107 4.264 4.340 -0.305 0.000 0.267 84 Q C -1.419 174.607 176.000 0.045 0.000 0.991 84 Q CA -0.695 55.148 55.803 0.066 0.000 0.906 84 Q CB 1.788 30.550 28.738 0.041 0.000 1.422 84 Q HN 0.683 nan 8.270 nan 0.000 0.400 85 D N 2.638 123.061 120.400 0.039 0.000 2.692 85 D HA -0.226 4.231 4.640 -0.305 0.000 0.233 85 D C 0.737 177.060 176.300 0.039 0.000 1.172 85 D CA 2.030 56.046 54.000 0.027 0.000 0.636 85 D CB -1.306 39.495 40.800 0.001 0.000 1.028 85 D HN 1.105 nan 8.370 nan 0.000 0.419 86 G N -1.762 107.087 108.800 0.081 0.000 2.184 86 G HA2 -0.192 3.585 3.960 -0.305 0.000 0.264 86 G HA3 -0.192 3.585 3.960 -0.305 0.000 0.264 86 G C 0.702 175.711 174.900 0.183 0.000 0.975 86 G CA 0.807 45.981 45.100 0.123 0.000 0.642 86 G HN 1.027 nan 8.290 nan 0.000 0.536 87 G N -0.975 107.877 108.800 0.088 0.000 3.195 87 G HA2 0.826 4.603 3.960 -0.305 0.000 0.217 87 G HA3 0.826 4.603 3.960 -0.305 0.000 0.217 87 G C -0.794 174.025 174.900 -0.135 0.000 1.166 87 G CA -0.097 44.925 45.100 -0.130 0.000 0.812 87 G HN 1.328 nan 8.290 nan 0.000 0.617 88 Y N -1.430 118.589 120.300 -0.468 0.000 2.477 88 Y HA 0.773 5.140 4.550 -0.305 0.000 0.347 88 Y C -0.981 174.864 175.900 -0.091 0.000 0.981 88 Y CA -1.799 56.164 58.100 -0.228 0.000 1.033 88 Y CB 1.567 39.859 38.460 -0.281 0.000 1.245 88 Y HN 0.439 nan 8.280 nan 0.000 0.455 89 L N 4.472 125.732 121.223 0.061 0.000 2.360 89 L HA 0.358 4.515 4.340 -0.305 0.000 0.276 89 L C -1.421 175.551 176.870 0.170 0.000 1.121 89 L CA -0.055 54.807 54.840 0.036 0.000 0.845 89 L CB -0.203 41.897 42.059 0.069 0.000 1.143 89 L HN 0.742 nan 8.230 nan 0.000 0.452 90 Y N 4.205 124.444 120.300 -0.101 0.000 2.361 90 Y HA 0.286 4.652 4.550 -0.305 0.000 0.328 90 Y C -0.070 175.801 175.900 -0.047 0.000 1.044 90 Y CA -1.121 56.962 58.100 -0.027 0.000 1.085 90 Y CB 0.940 39.342 38.460 -0.098 0.000 1.194 90 Y HN 0.766 nan 8.280 nan 0.000 0.438 91 D N 4.381 124.599 120.400 -0.304 0.000 2.708 91 D HA -0.184 4.273 4.640 -0.305 0.000 0.236 91 D C 1.245 177.482 176.300 -0.104 0.000 1.146 91 D CA 2.212 56.065 54.000 -0.245 0.000 0.662 91 D CB -1.091 39.522 40.800 -0.312 0.000 1.059 91 D HN 1.279 nan 8.370 nan 0.000 0.428 92 G N -0.957 107.808 108.800 -0.059 0.000 2.184 92 G HA2 -0.365 3.412 3.960 -0.305 0.000 0.264 92 G HA3 -0.365 3.412 3.960 -0.305 0.000 0.264 92 G C 0.238 175.117 174.900 -0.035 0.000 0.975 92 G CA 0.779 45.858 45.100 -0.035 0.000 0.642 92 G HN 0.536 nan 8.290 nan 0.000 0.536 93 Q N -0.672 119.101 119.800 -0.044 0.000 2.345 93 Q HA 0.642 4.799 4.340 -0.305 0.000 0.268 93 Q C -0.281 175.654 176.000 -0.108 0.000 1.054 93 Q CA -0.988 54.779 55.803 -0.061 0.000 0.835 93 Q CB 2.971 31.674 28.738 -0.058 0.000 1.339 93 Q HN 0.115 nan 8.270 nan 0.000 0.447 94 V N 2.925 122.763 119.914 -0.128 0.000 2.427 94 V HA 0.228 4.165 4.120 -0.305 0.000 0.268 94 V C 0.052 175.968 176.094 -0.296 0.000 1.046 94 V CA -0.030 62.151 62.300 -0.198 0.000 0.970 94 V CB 0.229 31.977 31.823 -0.126 0.000 1.001 94 V HN 0.569 nan 8.190 nan 0.000 0.476 95 R N 6.632 126.792 120.500 -0.567 0.000 2.604 95 R HA 0.494 4.650 4.340 -0.305 0.000 0.287 95 R C -2.585 173.355 176.300 -0.599 0.000 0.970 95 R CA -1.825 53.897 56.100 -0.631 0.000 0.946 95 R CB 2.203 31.950 30.300 -0.921 0.000 1.127 95 R HN 0.435 nan 8.270 nan 0.000 0.473 96 P HA 0.151 nan 4.420 nan 0.000 0.277 96 P C -0.820 176.453 177.300 -0.045 0.000 1.240 96 P CA -0.207 62.804 63.100 -0.149 0.000 0.798 96 P CB 0.600 32.267 31.700 -0.054 0.000 0.979 97 F N 0.012 120.046 119.950 0.139 0.000 2.375 97 F HA 0.229 4.573 4.527 -0.305 0.000 0.333 97 F C 1.574 177.397 175.800 0.038 0.000 1.104 97 F CA -0.338 57.733 58.000 0.119 0.000 1.149 97 F CB 0.813 39.849 39.000 0.060 0.000 1.190 97 F HN 0.319 nan 8.300 nan 0.000 0.533 98 E N 3.196 123.526 120.200 0.217 0.000 2.289 98 E HA 0.294 4.461 4.350 -0.305 0.000 0.278 98 E C -0.966 175.682 176.600 0.080 0.000 1.032 98 E CA -0.567 55.892 56.400 0.099 0.000 0.854 98 E CB 0.629 30.359 29.700 0.049 0.000 1.046 98 E HN 0.581 nan 8.360 nan 0.000 0.409 99 R N 5.302 125.832 120.500 0.049 0.000 2.507 99 R HA 0.354 4.511 4.340 -0.305 0.000 0.298 99 R C -2.546 173.751 176.300 -0.005 0.000 1.087 99 R CA -1.675 54.432 56.100 0.012 0.000 0.917 99 R CB 1.824 32.136 30.300 0.020 0.000 1.173 99 R HN 0.416 nan 8.270 nan 0.000 0.472 100 P HA 0.228 nan 4.420 nan 0.000 0.296 100 P C -1.030 176.257 177.300 -0.021 0.000 1.301 100 P CA -0.814 62.276 63.100 -0.016 0.000 0.862 100 P CB 1.283 32.973 31.700 -0.017 0.000 1.046 101 Q N 1.549 121.340 119.800 -0.015 0.000 2.390 101 Q HA 0.637 4.794 4.340 -0.305 0.000 0.249 101 Q C -0.334 175.662 176.000 -0.008 0.000 0.996 101 Q CA -0.165 55.630 55.803 -0.015 0.000 0.899 101 Q CB 1.657 30.386 28.738 -0.015 0.000 1.216 101 Q HN 0.496 nan 8.270 nan 0.000 0.465 102 A N 2.013 124.833 122.820 -0.000 0.000 2.468 102 A HA 0.921 5.058 4.320 -0.305 0.000 0.270 102 A C -0.433 177.166 177.584 0.024 0.000 1.217 102 A CA -0.328 51.719 52.037 0.017 0.000 0.908 102 A CB 1.363 20.381 19.000 0.031 0.000 1.423 102 A HN 0.744 nan 8.150 nan 0.000 0.459 103 S N -1.910 113.819 115.700 0.048 0.000 2.578 103 S HA 0.704 4.991 4.470 -0.305 0.000 0.272 103 S C -1.126 173.533 174.600 0.098 0.000 1.145 103 S CA -0.371 57.837 58.200 0.013 0.000 0.835 103 S CB 0.724 63.890 63.200 -0.057 0.000 1.104 103 S HN 1.980 nan 8.310 nan 0.000 0.458 104 Y N -0.843 119.449 120.300 -0.012 0.000 2.615 104 Y HA 0.827 5.194 4.550 -0.305 0.000 0.341 104 Y C -0.791 175.104 175.900 -0.009 0.000 1.089 104 Y CA -1.409 56.685 58.100 -0.010 0.000 1.049 104 Y CB 0.955 39.410 38.460 -0.008 0.000 1.296 104 Y HN 0.808 nan 8.280 nan 0.000 0.470 105 R N 1.483 122.069 120.500 0.142 0.000 2.428 105 R HA 0.621 4.778 4.340 -0.305 0.000 0.294 105 R C -1.681 174.712 176.300 0.154 0.000 1.000 105 R CA -1.021 55.111 56.100 0.054 0.000 0.960 105 R CB 1.757 32.083 30.300 0.045 0.000 1.076 105 R HN 0.699 nan 8.270 nan 0.000 0.475 106 L N 2.768 124.032 121.223 0.069 0.000 2.343 106 L HA 0.399 4.556 4.340 -0.305 0.000 0.278 106 L C -0.571 176.330 176.870 0.050 0.000 0.996 106 L CA -0.780 54.124 54.840 0.108 0.000 0.831 106 L CB 1.267 43.386 42.059 0.101 0.000 1.232 106 L HN 0.392 nan 8.230 nan 0.000 0.413 107 R N 3.208 123.737 120.500 0.049 0.000 2.489 107 R HA 0.268 4.425 4.340 -0.305 0.000 0.287 107 R C -0.410 175.902 176.300 0.019 0.000 1.053 107 R CA 0.234 56.349 56.100 0.026 0.000 1.036 107 R CB 0.355 30.668 30.300 0.021 0.000 0.966 107 R HN 0.605 nan 8.270 nan 0.000 0.432 108 Q N 2.704 122.510 119.800 0.010 0.000 2.193 108 Q HA 0.311 4.468 4.340 -0.305 0.000 0.246 108 Q C 0.821 176.823 176.000 0.004 0.000 0.959 108 Q CA 0.167 55.973 55.803 0.006 0.000 0.904 108 Q CB 1.300 30.039 28.738 0.001 0.000 1.238 108 Q HN 0.764 nan 8.270 nan 0.000 0.469 109 A N 1.395 124.216 122.820 0.002 0.000 1.978 109 A HA -0.217 3.919 4.320 -0.305 0.000 0.220 109 A C 1.134 178.717 177.584 -0.001 0.000 1.170 109 A CA 2.207 54.244 52.037 0.000 0.000 0.636 109 A CB -0.470 18.530 19.000 -0.000 0.000 0.810 109 A HN 0.781 nan 8.150 nan 0.000 0.448 110 D N -2.441 117.958 120.400 -0.002 0.000 2.349 110 D HA 0.286 4.743 4.640 -0.305 0.000 0.224 110 D C 1.157 177.456 176.300 -0.003 0.000 1.029 110 D CA 1.018 55.016 54.000 -0.003 0.000 0.879 110 D CB -0.489 40.309 40.800 -0.004 0.000 0.906 110 D HN 0.794 nan 8.370 nan 0.000 0.528 111 G N -0.271 108.528 108.800 -0.002 0.000 2.213 111 G HA2 -0.274 3.503 3.960 -0.305 0.000 0.236 111 G HA3 -0.274 3.503 3.960 -0.305 0.000 0.236 111 G C 0.586 175.486 174.900 -0.001 0.000 0.991 111 G CA 0.504 45.603 45.100 -0.002 0.000 0.629 111 G HN 0.797 nan 8.290 nan 0.000 0.517 112 T N -0.805 113.748 114.554 -0.002 0.000 2.810 112 T HA 0.720 4.887 4.350 -0.305 0.000 0.277 112 T C 0.403 175.102 174.700 -0.001 0.000 0.973 112 T CA 0.749 62.847 62.100 -0.003 0.000 0.949 112 T CB 1.856 70.721 68.868 -0.005 0.000 1.075 112 T HN 1.379 nan 8.240 nan 0.000 0.537 113 T N -2.005 112.547 114.554 -0.004 0.000 2.901 113 T HA 0.715 4.882 4.350 -0.305 0.000 0.293 113 T C -0.344 174.346 174.700 -0.016 0.000 1.084 113 T CA -0.603 61.494 62.100 -0.004 0.000 1.008 113 T CB 1.301 70.170 68.868 0.002 0.000 1.170 113 T HN 1.377 nan 8.240 nan 0.000 0.509 114 V N -1.540 118.358 119.914 -0.026 0.000 2.962 114 V HA 0.697 4.634 4.120 -0.305 0.000 0.313 114 V C -1.353 174.692 176.094 -0.082 0.000 1.099 114 V CA -1.093 61.179 62.300 -0.047 0.000 0.971 114 V CB 2.042 33.836 31.823 -0.048 0.000 1.028 114 V HN 0.932 nan 8.190 nan 0.000 0.430 115 D N 2.469 122.811 120.400 -0.096 0.000 2.225 115 D HA 0.467 4.923 4.640 -0.305 0.000 0.248 115 D C -0.480 175.692 176.300 -0.213 0.000 1.096 115 D CA -0.060 53.854 54.000 -0.143 0.000 0.863 115 D CB 1.861 42.601 40.800 -0.099 0.000 1.156 115 D HN 0.600 nan 8.370 nan 0.000 0.450 116 K N 2.672 122.840 120.400 -0.386 0.000 2.376 116 K HA 0.417 4.553 4.320 -0.305 0.000 0.257 116 K C -2.631 173.716 176.600 -0.421 0.000 0.939 116 K CA -1.720 54.294 56.287 -0.454 0.000 0.809 116 K CB 2.395 34.478 32.500 -0.695 0.000 1.121 116 K HN 0.062 nan 8.250 nan 0.000 0.425 117 P HA 0.150 nan 4.420 nan 0.000 0.274 117 P C -1.281 175.982 177.300 -0.062 0.000 1.231 117 P CA -0.594 62.435 63.100 -0.117 0.000 0.790 117 P CB 0.547 32.202 31.700 -0.075 0.000 0.951 118 L N 1.424 122.650 121.223 0.006 0.000 2.555 118 L HA 0.339 4.496 4.340 -0.305 0.000 0.264 118 L C -0.543 176.334 176.870 0.011 0.000 0.972 118 L CA -0.500 54.380 54.840 0.068 0.000 0.876 118 L CB 1.370 43.559 42.059 0.218 0.000 1.216 118 L HN 0.265 nan 8.230 nan 0.000 0.415 119 E N 4.951 125.135 120.200 -0.026 0.000 2.259 119 E HA 0.425 4.592 4.350 -0.305 0.000 0.281 119 E C -1.058 175.483 176.600 -0.098 0.000 1.027 119 E CA -0.401 55.964 56.400 -0.059 0.000 0.838 119 E CB 0.871 30.527 29.700 -0.074 0.000 1.066 119 E HN 0.666 nan 8.360 nan 0.000 0.401 120 I N 5.472 125.983 120.570 -0.099 0.000 2.355 120 I HA 0.350 4.337 4.170 -0.305 0.000 0.288 120 I C 0.094 176.121 176.117 -0.150 0.000 0.999 120 I CA -0.536 60.679 61.300 -0.143 0.000 1.163 120 I CB 1.190 39.131 38.000 -0.098 0.000 1.316 120 I HN 0.395 nan 8.210 nan 0.000 0.454 121 R N 4.016 124.381 120.500 -0.226 0.000 2.664 121 R HA 0.765 4.922 4.340 -0.305 0.000 0.286 121 R C -0.924 175.276 176.300 -0.166 0.000 0.967 121 R CA -0.759 55.217 56.100 -0.207 0.000 0.933 121 R CB 2.418 32.474 30.300 -0.408 0.000 1.146 121 R HN 0.488 nan 8.270 nan 0.000 0.468 122 S N 0.292 115.980 115.700 -0.020 0.000 2.540 122 S HA 0.389 4.676 4.470 -0.305 0.000 0.275 122 S C -0.682 173.987 174.600 0.114 0.000 1.123 122 S CA -0.816 57.389 58.200 0.008 0.000 0.907 122 S CB 2.012 65.201 63.200 -0.018 0.000 1.081 122 S HN 0.713 nan 8.310 nan 0.000 0.476 123 S N 0.505 116.198 115.700 -0.011 0.000 2.768 123 S HA 0.505 4.792 4.470 -0.305 0.000 0.300 123 S C 1.554 176.035 174.600 -0.200 0.000 1.122 123 S CA -0.209 57.837 58.200 -0.258 0.000 0.995 123 S CB 0.191 62.948 63.200 -0.737 0.000 1.195 123 S HN 0.883 nan 8.310 nan 0.000 0.547 124 V N -0.794 118.932 119.914 -0.314 0.000 2.594 124 V HA -0.140 3.797 4.120 -0.305 0.000 0.253 124 V C 1.985 177.805 176.094 -0.456 0.000 1.069 124 V CA 2.014 64.071 62.300 -0.404 0.000 1.082 124 V CB -2.000 29.453 31.823 -0.616 0.000 0.680 124 V HN 0.893 nan 8.190 nan 0.000 0.469 125 H N 1.638 120.479 119.070 -0.383 0.000 2.299 125 H HA 0.501 4.874 4.556 -0.305 0.000 0.302 125 H C 1.334 176.537 175.328 -0.207 0.000 1.078 125 H CA 1.341 57.151 56.048 -0.396 0.000 1.323 125 H CB -0.347 29.097 29.762 -0.530 0.000 1.381 125 H HN 0.765 nan 8.280 nan 0.000 0.498 126 G N -1.496 107.307 108.800 0.004 0.000 2.344 126 G HA2 0.176 3.953 3.960 -0.305 0.000 0.282 126 G HA3 0.176 3.953 3.960 -0.305 0.000 0.282 126 G C -2.852 172.059 174.900 0.018 0.000 1.281 126 G CA -1.174 43.938 45.100 0.019 0.000 0.877 126 G HN -0.116 nan 8.290 nan 0.000 0.494 127 P HA 0.377 nan 4.420 nan 0.000 0.266 127 P C -0.223 177.024 177.300 -0.089 0.000 1.195 127 P CA -0.142 62.920 63.100 -0.064 0.000 0.768 127 P CB 1.053 32.739 31.700 -0.025 0.000 0.838 128 V N 4.256 123.996 119.914 -0.289 0.000 2.483 128 V HA 0.483 4.420 4.120 -0.305 0.000 0.295 128 V C -0.107 175.694 176.094 -0.488 0.000 1.035 128 V CA -0.113 62.039 62.300 -0.247 0.000 0.896 128 V CB 0.596 32.257 31.823 -0.269 0.000 0.986 128 V HN 0.380 nan 8.190 nan 0.000 0.447 129 F N 1.346 121.254 119.950 -0.071 0.000 2.620 129 F HA 0.587 4.932 4.527 -0.305 0.000 0.320 129 F C 0.081 175.847 175.800 -0.056 0.000 1.069 129 F CA -0.815 57.149 58.000 -0.061 0.000 0.953 129 F CB 1.925 40.900 39.000 -0.041 0.000 1.322 129 F HN 0.431 nan 8.300 nan 0.000 0.479 130 E N 2.051 122.341 120.200 0.150 0.000 2.191 130 E HA 0.394 4.561 4.350 -0.305 0.000 0.263 130 E C -0.806 175.838 176.600 0.072 0.000 0.881 130 E CA -0.767 55.676 56.400 0.071 0.000 0.757 130 E CB 1.115 30.829 29.700 0.022 0.000 1.147 130 E HN 0.512 nan 8.360 nan 0.000 0.414 131 R N 2.138 122.667 120.500 0.048 0.000 2.583 131 R HA 0.306 4.463 4.340 -0.305 0.000 0.268 131 R C 0.954 177.265 176.300 0.019 0.000 1.101 131 R CA 0.289 56.404 56.100 0.025 0.000 1.180 131 R CB 0.591 30.897 30.300 0.010 0.000 1.128 131 R HN 0.644 nan 8.270 nan 0.000 0.568 132 A N 1.421 124.247 122.820 0.010 0.000 1.940 132 A HA -0.217 3.919 4.320 -0.305 0.000 0.219 132 A C 1.314 178.903 177.584 0.007 0.000 1.176 132 A CA 2.064 54.106 52.037 0.008 0.000 0.631 132 A CB -0.639 18.363 19.000 0.003 0.000 0.814 132 A HN 0.840 nan 8.150 nan 0.000 0.446 133 D N -2.187 118.216 120.400 0.005 0.000 2.352 133 D HA 0.282 4.739 4.640 -0.305 0.000 0.232 133 D C 1.155 177.461 176.300 0.010 0.000 1.055 133 D CA 0.987 54.990 54.000 0.006 0.000 0.891 133 D CB -0.607 40.194 40.800 0.002 0.000 0.897 133 D HN 0.801 nan 8.370 nan 0.000 0.529 134 G N -0.786 108.022 108.800 0.013 0.000 2.195 134 G HA2 -0.276 3.501 3.960 -0.305 0.000 0.246 134 G HA3 -0.276 3.501 3.960 -0.305 0.000 0.246 134 G C 0.452 175.365 174.900 0.021 0.000 0.984 134 G CA 0.237 45.347 45.100 0.017 0.000 0.633 134 G HN 0.459 nan 8.290 nan 0.000 0.525 135 T N 1.716 116.282 114.554 0.020 0.000 2.888 135 T HA 0.507 4.674 4.350 -0.305 0.000 0.301 135 T C 0.672 175.391 174.700 0.032 0.000 1.001 135 T CA 0.704 62.818 62.100 0.024 0.000 1.147 135 T CB 1.446 70.322 68.868 0.014 0.000 0.931 135 T HN 1.368 nan 8.240 nan 0.000 0.541 136 A N 3.783 126.627 122.820 0.040 0.000 2.276 136 A HA 0.599 4.736 4.320 -0.305 0.000 0.300 136 A C -0.250 177.362 177.584 0.048 0.000 1.235 136 A CA -0.576 51.487 52.037 0.044 0.000 0.867 136 A CB 0.355 19.392 19.000 0.062 0.000 1.137 136 A HN 0.686 nan 8.150 nan 0.000 0.527 137 V N 2.066 122.018 119.914 0.065 0.000 2.531 137 V HA 0.674 4.610 4.120 -0.305 0.000 0.301 137 V C 0.341 176.504 176.094 0.115 0.000 1.034 137 V CA -0.400 61.944 62.300 0.074 0.000 0.865 137 V CB 1.576 33.441 31.823 0.069 0.000 0.995 137 V HN 1.140 nan 8.190 nan 0.000 0.424 138 A N 4.041 126.908 122.820 0.079 0.000 2.288 138 A HA 0.789 4.926 4.320 -0.305 0.000 0.320 138 A C -0.659 177.048 177.584 0.204 0.000 1.217 138 A CA -0.571 51.526 52.037 0.099 0.000 0.840 138 A CB 1.568 20.542 19.000 -0.043 0.000 1.179 138 A HN 0.926 nan 8.150 nan 0.000 0.504 139 V N 3.877 123.933 119.914 0.236 0.000 2.370 139 V HA 0.583 4.520 4.120 -0.305 0.000 0.283 139 V C 0.065 176.301 176.094 0.237 0.000 1.023 139 V CA -0.705 61.732 62.300 0.228 0.000 0.857 139 V CB 1.205 33.133 31.823 0.175 0.000 0.985 139 V HN 0.907 nan 8.190 nan 0.000 0.443 140 R N 5.384 126.065 120.500 0.300 0.000 2.246 140 R HA 0.642 4.799 4.340 -0.305 0.000 0.332 140 R C -1.563 174.952 176.300 0.360 0.000 0.974 140 R CA -0.438 55.813 56.100 0.252 0.000 0.837 140 R CB 1.552 31.967 30.300 0.193 0.000 1.145 140 R HN 0.620 nan 8.270 nan 0.000 0.467 141 V N 4.141 124.222 119.914 0.278 0.000 2.427 141 V HA 0.486 4.423 4.120 -0.305 0.000 0.286 141 V C 0.472 176.774 176.094 0.346 0.000 1.034 141 V CA -0.711 61.756 62.300 0.278 0.000 0.893 141 V CB 1.356 33.270 31.823 0.152 0.000 0.982 141 V HN 0.937 nan 8.190 nan 0.000 0.452 142 A N 3.424 126.449 122.820 0.341 0.000 2.287 142 A HA 0.648 4.785 4.320 -0.305 0.000 0.273 142 A C 1.344 179.002 177.584 0.123 0.000 1.091 142 A CA 0.314 52.509 52.037 0.263 0.000 0.817 142 A CB 0.095 19.083 19.000 -0.020 0.000 1.069 142 A HN 2.178 nan 8.150 nan 0.000 0.492 143 G N -0.445 108.416 108.800 0.102 0.000 2.198 143 G HA2 -0.208 3.569 3.960 -0.305 0.000 0.260 143 G HA3 -0.208 3.569 3.960 -0.305 0.000 0.260 143 G C 0.424 175.356 174.900 0.054 0.000 1.025 143 G CA 0.530 45.663 45.100 0.055 0.000 0.769 143 G HN 0.790 nan 8.290 nan 0.000 0.507 144 L N 0.229 121.495 121.223 0.072 0.000 2.610 144 L HA 0.143 4.300 4.340 -0.305 0.000 0.232 144 L C 1.581 178.475 176.870 0.040 0.000 1.149 144 L CA 1.123 55.995 54.840 0.054 0.000 0.872 144 L CB -0.021 42.075 42.059 0.061 0.000 0.992 144 L HN 0.440 nan 8.230 nan 0.000 0.447 145 D N -1.180 119.244 120.400 0.040 0.000 2.559 145 D HA 0.024 4.481 4.640 -0.305 0.000 0.234 145 D C 0.334 176.648 176.300 0.023 0.000 1.226 145 D CA -0.266 53.752 54.000 0.029 0.000 0.830 145 D CB 0.295 41.114 40.800 0.031 0.000 1.028 145 D HN -0.027 nan 8.370 nan 0.000 0.492 146 R N 1.798 122.312 120.500 0.022 0.000 2.402 146 R HA 0.272 4.429 4.340 -0.305 0.000 0.290 146 R C -1.914 174.397 176.300 0.019 0.000 1.321 146 R CA -1.213 54.897 56.100 0.015 0.000 1.283 146 R CB 1.027 31.333 30.300 0.010 0.000 1.111 146 R HN 0.112 nan 8.270 nan 0.000 0.578 147 P HA 0.039 nan 4.420 nan 0.000 0.245 147 P C 0.548 177.863 177.300 0.025 0.000 1.206 147 P CA 0.304 63.416 63.100 0.020 0.000 0.781 147 P CB 0.687 32.397 31.700 0.017 0.000 0.994 151 E N 1.115 121.390 120.200 0.124 0.000 2.204 151 E HA -0.236 3.931 4.350 -0.305 0.000 0.194 151 E C 1.843 178.545 176.600 0.170 0.000 0.989 151 E CA 1.533 58.028 56.400 0.159 0.000 0.824 151 E CB 0.269 30.031 29.700 0.102 0.000 0.756 151 E HN 0.439 nan 8.360 nan 0.000 0.477 152 Q N -0.553 119.309 119.800 0.102 0.000 2.046 152 Q HA -0.211 3.946 4.340 -0.305 0.000 0.200 152 Q C 1.716 177.737 176.000 0.035 0.000 0.975 152 Q CA 1.506 57.319 55.803 0.017 0.000 0.836 152 Q CB -0.196 28.505 28.738 -0.061 0.000 0.896 152 Q HN 0.451 nan 8.270 nan 0.000 0.428 153 Y N -0.563 119.777 120.300 0.067 0.000 2.181 153 Y HA -0.269 4.098 4.550 -0.306 0.000 0.288 153 Y C 2.042 178.004 175.900 0.105 0.000 1.146 153 Y CA 1.408 59.556 58.100 0.080 0.000 1.164 153 Y CB -0.144 38.367 38.460 0.084 0.000 0.982 153 Y HN 0.279 nan 8.280 nan 0.000 0.515 154 F N 1.046 121.075 119.950 0.131 0.000 2.102 154 F HA -0.166 4.178 4.527 -0.305 0.000 0.298 154 F C 1.233 177.021 175.800 -0.021 0.000 1.105 154 F CA 1.120 59.123 58.000 0.004 0.000 1.239 154 F CB -0.669 38.297 39.000 -0.058 0.000 0.991 154 F HN -0.079 nan 8.300 nan 0.000 0.474 158 T N -0.486 113.976 114.554 -0.153 0.000 3.182 158 T HA 0.704 4.871 4.350 -0.305 0.000 0.277 158 T C 0.711 175.360 174.700 -0.085 0.000 1.013 158 T CA 0.379 62.359 62.100 -0.199 0.000 0.900 158 T CB 0.274 68.787 68.868 -0.592 0.000 1.098 158 T HN 0.464 nan 8.240 nan 0.000 0.543 159 A N 1.306 124.133 122.820 0.011 0.000 2.477 159 A HA 0.360 4.497 4.320 -0.305 0.000 0.246 159 A C 0.982 178.619 177.584 0.088 0.000 1.078 159 A CA -0.303 51.773 52.037 0.064 0.000 0.770 159 A CB 0.109 19.210 19.000 0.168 0.000 1.011 159 A HN 0.312 nan 8.150 nan 0.000 0.494 160 D N 0.323 120.764 120.400 0.069 0.000 2.347 160 D HA 0.073 4.530 4.640 -0.305 0.000 0.213 160 D C 0.638 176.996 176.300 0.097 0.000 0.985 160 D CA 1.539 55.586 54.000 0.077 0.000 0.879 160 D CB 0.108 40.943 40.800 0.059 0.000 0.919 160 D HN 0.656 nan 8.370 nan 0.000 0.526 161 S N -1.572 114.199 115.700 0.119 0.000 2.588 161 S HA 0.218 4.505 4.470 -0.305 0.000 0.269 161 S C 0.275 174.996 174.600 0.203 0.000 1.157 161 S CA -0.851 57.440 58.200 0.152 0.000 0.824 161 S CB 0.621 63.883 63.200 0.104 0.000 1.126 161 S HN -0.126 nan 8.310 nan 0.000 0.464 162 F N 1.711 121.704 119.950 0.071 0.000 2.171 162 F HA 0.008 4.352 4.527 -0.305 0.000 0.300 162 F C 1.623 177.411 175.800 -0.019 0.000 1.090 162 F CA 1.930 59.906 58.000 -0.040 0.000 1.293 162 F CB -0.493 38.462 39.000 -0.074 0.000 1.013 162 F HN 0.687 nan 8.300 nan 0.000 0.486 163 D N 0.306 120.653 120.400 -0.089 0.000 2.117 163 D HA -0.172 4.285 4.640 -0.305 0.000 0.197 163 D C 1.864 178.053 176.300 -0.186 0.000 0.987 163 D CA 1.537 55.424 54.000 -0.189 0.000 0.829 163 D CB -0.419 40.349 40.800 -0.055 0.000 0.961 163 D HN 0.342 nan 8.370 nan 0.000 0.460 164 D N -0.432 119.919 120.400 -0.082 0.000 2.144 164 D HA -0.151 4.306 4.640 -0.305 0.000 0.200 164 D C 1.937 178.181 176.300 -0.094 0.000 0.978 164 D CA 0.489 54.450 54.000 -0.066 0.000 0.833 164 D CB -0.357 40.440 40.800 -0.005 0.000 0.961 164 D HN 0.290 nan 8.370 nan 0.000 0.470 165 Y N 2.176 122.348 120.300 -0.214 0.000 2.114 165 Y HA -0.183 4.184 4.550 -0.305 0.000 0.284 165 Y C 2.087 177.780 175.900 -0.344 0.000 1.143 165 Y CA 1.715 59.671 58.100 -0.240 0.000 1.135 165 Y CB -0.223 38.068 38.460 -0.282 0.000 0.980 165 Y HN -0.081 nan 8.280 nan 0.000 0.499 166 E N 0.057 119.875 120.200 -0.637 0.000 2.118 166 E HA -0.228 3.939 4.350 -0.305 0.000 0.195 166 E C 2.330 178.663 176.600 -0.444 0.000 0.992 166 E CA 0.958 56.957 56.400 -0.668 0.000 0.804 166 E CB -0.337 28.952 29.700 -0.685 0.000 0.741 166 E HN 0.612 nan 8.360 nan 0.000 0.458 167 A N 1.475 124.099 122.820 -0.327 0.000 1.933 167 A HA -0.091 4.046 4.320 -0.305 0.000 0.218 167 A C 2.377 179.830 177.584 -0.218 0.000 1.175 167 A CA 1.641 53.546 52.037 -0.219 0.000 0.628 167 A CB -0.467 18.442 19.000 -0.152 0.000 0.814 167 A HN 0.291 nan 8.150 nan 0.000 0.444 168 A N -0.486 122.180 122.820 -0.256 0.000 1.873 168 A HA 0.004 4.141 4.320 -0.305 0.000 0.215 168 A C 2.110 179.519 177.584 -0.292 0.000 1.186 168 A CA 1.641 53.540 52.037 -0.231 0.000 0.616 168 A CB -0.672 18.202 19.000 -0.211 0.000 0.823 168 A HN 0.669 nan 8.150 nan 0.000 0.442 169 L N 0.045 120.995 121.223 -0.455 0.000 2.079 169 L HA -0.102 4.055 4.340 -0.305 0.000 0.210 169 L C 2.570 179.268 176.870 -0.286 0.000 1.081 169 L CA 2.172 56.744 54.840 -0.446 0.000 0.752 169 L CB -0.721 40.957 42.059 -0.635 0.000 0.896 169 L HN 0.347 nan 8.230 nan 0.000 0.433 170 A N -0.645 122.023 122.820 -0.255 0.000 2.125 170 A HA -0.127 4.010 4.320 -0.305 0.000 0.219 170 A C 1.604 179.114 177.584 -0.123 0.000 1.156 170 A CA 0.590 52.527 52.037 -0.168 0.000 0.671 170 A CB -0.623 18.286 19.000 -0.151 0.000 0.794 170 A HN 0.503 nan 8.150 nan 0.000 0.459 174 V N 4.282 124.162 119.914 -0.057 0.000 2.318 174 V HA 0.192 4.129 4.120 -0.305 0.000 0.271 174 V C -1.590 174.472 176.094 -0.053 0.000 1.030 174 V CA -1.058 61.230 62.300 -0.021 0.000 0.844 174 V CB 1.300 33.059 31.823 -0.106 0.000 1.015 174 V HN -0.026 nan 8.190 nan 0.000 0.460 175 P HA -0.045 nan 4.420 nan 0.000 0.221 175 P C 0.629 177.796 177.300 -0.222 0.000 1.145 175 P CA 1.185 64.213 63.100 -0.119 0.000 0.795 175 P CB 0.348 31.990 31.700 -0.097 0.000 0.775 176 T N -3.514 110.841 114.554 -0.331 0.000 2.637 176 T HA 0.573 4.740 4.350 -0.305 0.000 0.303 176 T C -1.729 172.709 174.700 -0.437 0.000 1.288 176 T CA -0.695 61.101 62.100 -0.507 0.000 1.040 176 T CB 0.048 68.486 68.868 -0.717 0.000 1.644 176 T HN -0.129 nan 8.240 nan 0.000 0.480 177 F N -0.240 119.613 119.950 -0.161 0.000 2.182 177 F HA -0.112 4.231 4.527 -0.306 0.000 0.325 177 F C -0.036 175.641 175.800 -0.205 0.000 1.295 177 F CA -0.681 57.243 58.000 -0.127 0.000 0.940 177 F CB -0.487 38.501 39.000 -0.019 0.000 4.103 177 F HN 0.670 nan 8.300 nan 0.000 0.179 178 N N 2.679 121.437 118.700 0.097 0.000 2.472 178 N HA 0.723 5.280 4.740 -0.305 0.000 0.277 178 N C -1.045 174.514 175.510 0.082 0.000 1.081 178 N CA -0.525 52.546 53.050 0.036 0.000 0.973 178 N CB 0.953 39.588 38.487 0.246 0.000 1.105 178 N HN 0.325 nan 8.380 nan 0.000 0.470 179 I N 2.175 122.748 120.570 0.005 0.000 2.466 179 I HA 0.324 4.311 4.170 -0.305 0.000 0.289 179 I C -0.739 175.474 176.117 0.160 0.000 1.026 179 I CA -0.931 60.422 61.300 0.089 0.000 1.078 179 I CB 1.811 39.864 38.000 0.090 0.000 1.249 179 I HN 0.127 nan 8.210 nan 0.000 0.429 180 V N 6.538 126.590 119.914 0.229 0.000 2.483 180 V HA 0.408 4.345 4.120 -0.305 0.000 0.295 180 V C -1.031 175.222 176.094 0.265 0.000 1.035 180 V CA -0.621 61.853 62.300 0.290 0.000 0.896 180 V CB 2.016 34.031 31.823 0.320 0.000 0.986 180 V HN 0.580 nan 8.190 nan 0.000 0.447 181 Y N 3.428 123.775 120.300 0.078 0.000 2.536 181 Y HA 0.836 5.202 4.550 -0.306 0.000 0.347 181 Y C -0.311 175.522 175.900 -0.111 0.000 1.000 181 Y CA -0.498 57.551 58.100 -0.085 0.000 1.051 181 Y CB 1.990 40.291 38.460 -0.266 0.000 1.259 181 Y HN 0.776 nan 8.280 nan 0.000 0.468 182 A N 3.921 126.271 122.820 -0.783 0.000 2.589 182 A HA 0.633 4.770 4.320 -0.305 0.000 0.296 182 A C -2.052 174.719 177.584 -1.355 0.000 1.062 182 A CA -0.425 51.183 52.037 -0.715 0.000 0.686 182 A CB 1.463 20.279 19.000 -0.306 0.000 1.282 182 A HN 0.822 nan 8.150 nan 0.000 0.404 183 D N -0.601 119.183 120.400 -1.028 0.000 2.610 183 D HA 0.369 4.826 4.640 -0.305 0.000 0.271 183 D C 0.768 176.710 176.300 -0.597 0.000 1.174 183 D CA -0.516 52.872 54.000 -1.021 0.000 0.949 183 D CB 0.648 41.151 40.800 -0.495 0.000 1.430 183 D HN 0.517 nan 8.370 nan 0.000 0.467 184 R N -0.236 120.074 120.500 -0.318 0.000 2.189 184 R HA -0.044 4.113 4.340 -0.305 0.000 0.223 184 R C 0.468 176.746 176.300 -0.037 0.000 1.092 184 R CA 1.079 57.160 56.100 -0.031 0.000 0.989 184 R CB -0.395 29.954 30.300 0.081 0.000 0.876 184 R HN 0.315 nan 8.270 nan 0.000 0.457 185 E N 0.397 120.561 120.200 -0.060 0.000 2.274 185 E HA 0.025 4.191 4.350 -0.305 0.000 0.194 185 E C 1.159 177.731 176.600 -0.045 0.000 0.996 185 E CA 1.323 57.708 56.400 -0.026 0.000 0.840 185 E CB 0.155 29.856 29.700 0.001 0.000 0.772 185 E HN 0.684 nan 8.360 nan 0.000 0.491 186 G N -0.432 108.317 108.800 -0.086 0.000 2.184 186 G HA2 -0.211 3.566 3.960 -0.305 0.000 0.206 186 G HA3 -0.211 3.566 3.960 -0.305 0.000 0.206 186 G C 0.380 175.215 174.900 -0.109 0.000 0.995 186 G CA 0.070 45.120 45.100 -0.084 0.000 0.651 186 G HN 0.220 nan 8.290 nan 0.000 0.511 187 T N 1.777 116.248 114.554 -0.138 0.000 2.869 187 T HA 0.602 4.769 4.350 -0.305 0.000 0.295 187 T C 0.560 175.160 174.700 -0.167 0.000 0.987 187 T CA 0.607 62.584 62.100 -0.205 0.000 1.109 187 T CB 1.182 69.835 68.868 -0.359 0.000 0.932 187 T HN 0.951 nan 8.240 nan 0.000 0.518 188 I N 0.975 121.456 120.570 -0.149 0.000 2.689 188 I HA 0.747 4.734 4.170 -0.305 0.000 0.299 188 I C -0.724 175.383 176.117 -0.016 0.000 1.059 188 I CA -0.911 60.372 61.300 -0.028 0.000 1.055 188 I CB 2.353 40.359 38.000 0.010 0.000 1.243 188 I HN 0.464 nan 8.210 nan 0.000 0.425 189 N N 3.193 121.976 118.700 0.139 0.000 2.405 189 N HA 0.344 4.901 4.740 -0.305 0.000 0.274 189 N C -2.346 173.349 175.510 0.309 0.000 1.170 189 N CA -0.352 52.815 53.050 0.195 0.000 0.848 189 N CB 3.025 41.647 38.487 0.226 0.000 1.629 189 N HN 0.799 nan 8.380 nan 0.000 0.481 190 Y N 1.261 121.677 120.300 0.192 0.000 2.391 190 Y HA 0.604 4.972 4.550 -0.302 0.000 0.341 190 Y C -1.479 174.543 175.900 0.205 0.000 0.965 190 Y CA -0.288 57.930 58.100 0.197 0.000 1.067 190 Y CB 1.650 40.210 38.460 0.167 0.000 1.199 190 Y HN 0.382 nan 8.280 nan 0.000 0.450 191 S N 6.617 121.897 115.700 -0.700 0.000 2.614 191 S HA 0.314 4.600 4.470 -0.305 0.000 0.288 191 S C -1.544 172.661 174.600 -0.658 0.000 1.137 191 S CA -0.602 57.272 58.200 -0.544 0.000 0.992 191 S CB 0.754 63.856 63.200 -0.164 0.000 1.026 191 S HN 0.630 nan 8.310 nan 0.000 0.486 192 F N 4.481 124.055 119.950 -0.627 0.000 2.462 192 F HA 0.382 4.726 4.527 -0.306 0.000 0.354 192 F C 0.294 175.960 175.800 -0.222 0.000 1.192 192 F CA -0.491 57.302 58.000 -0.346 0.000 1.173 192 F CB -0.296 38.548 39.000 -0.260 0.000 1.402 192 F HN 0.584 nan 8.300 nan 0.000 0.595 193 N N 3.266 121.772 118.700 -0.323 0.000 2.495 193 N HA 0.789 5.346 4.740 -0.305 0.000 0.280 193 N C -0.257 175.080 175.510 -0.288 0.000 1.168 193 N CA 0.419 53.330 53.050 -0.232 0.000 0.978 193 N CB 1.496 39.886 38.487 -0.161 0.000 1.191 193 N HN 0.820 nan 8.380 nan 0.000 0.497 194 G N -0.599 108.090 108.800 -0.186 0.000 2.361 194 G HA2 0.114 3.891 3.960 -0.305 0.000 0.305 194 G HA3 0.114 3.891 3.960 -0.305 0.000 0.305 194 G C -1.872 172.965 174.900 -0.105 0.000 1.367 194 G CA -0.751 44.241 45.100 -0.179 0.000 0.951 194 G HN 0.495 nan 8.290 nan 0.000 0.615 195 V N 1.109 120.962 119.914 -0.102 0.000 2.304 195 V HA 0.647 4.584 4.120 -0.305 0.000 0.269 195 V C 0.764 176.799 176.094 -0.099 0.000 1.036 195 V CA 0.201 62.456 62.300 -0.075 0.000 0.840 195 V CB 0.647 32.429 31.823 -0.067 0.000 1.036 195 V HN 1.593 nan 8.190 nan 0.000 0.466 196 A N 7.836 130.628 122.820 -0.047 0.000 2.288 196 A HA 0.848 4.985 4.320 -0.305 0.000 0.320 196 A C -2.750 174.740 177.584 -0.157 0.000 1.217 196 A CA -1.900 50.104 52.037 -0.056 0.000 0.840 196 A CB 1.049 20.134 19.000 0.142 0.000 1.179 196 A HN 0.583 nan 8.150 nan 0.000 0.504 197 P HA 0.120 nan 4.420 nan 0.000 0.268 197 P C -0.590 176.355 177.300 -0.592 0.000 1.205 197 P CA 0.080 62.695 63.100 -0.808 0.000 0.771 197 P CB 0.516 31.049 31.700 -1.946 0.000 0.858 198 K N 3.917 124.038 120.400 -0.466 0.000 2.312 198 K HA 0.309 4.446 4.320 -0.305 0.000 0.287 198 K C 0.057 176.474 176.600 -0.304 0.000 1.062 198 K CA -0.134 55.921 56.287 -0.386 0.000 0.934 198 K CB 0.623 32.904 32.500 -0.364 0.000 1.027 198 K HN 0.339 nan 8.250 nan 0.000 0.478 199 R N 0.816 121.088 120.500 -0.380 0.000 2.740 199 R HA 0.303 4.460 4.340 -0.305 0.000 0.282 199 R C 0.312 176.692 176.300 0.133 0.000 0.969 199 R CA -0.332 55.593 56.100 -0.293 0.000 0.918 199 R CB 1.558 31.318 30.300 -0.901 0.000 1.175 199 R HN 0.702 nan 8.270 nan 0.000 0.464 200 A N 1.549 124.502 122.820 0.223 0.000 2.178 200 A HA 0.066 4.203 4.320 -0.305 0.000 0.211 200 A C 0.022 177.772 177.584 0.277 0.000 1.157 200 A CA 0.785 52.960 52.037 0.231 0.000 0.780 200 A CB -0.284 18.816 19.000 0.167 0.000 0.828 200 A HN 0.755 nan 8.150 nan 0.000 0.476 201 E N -3.111 117.324 120.200 0.392 0.000 2.437 201 E HA 0.506 4.673 4.350 -0.305 0.000 0.280 201 E C -0.135 176.796 176.600 0.552 0.000 1.044 201 E CA -0.836 55.779 56.400 0.359 0.000 0.826 201 E CB 0.643 30.469 29.700 0.209 0.000 1.358 201 E HN 1.289 nan 8.360 nan 0.000 0.459 202 G N 1.511 110.488 108.800 0.295 0.000 2.767 202 G HA2 -0.014 3.763 3.960 -0.305 0.000 0.686 202 G HA3 -0.014 3.763 3.960 -0.305 0.000 0.686 202 G C -0.766 174.500 174.900 0.611 0.000 1.213 202 G CA -0.125 45.130 45.100 0.258 0.000 0.803 202 G HN 0.944 nan 8.290 nan 0.000 0.603 203 D N 0.518 121.195 120.400 0.461 0.000 2.506 203 D HA 0.516 4.973 4.640 -0.305 0.000 0.272 203 D C 1.883 178.537 176.300 0.591 0.000 1.214 203 D CA -0.478 53.803 54.000 0.470 0.000 1.067 203 D CB 0.609 41.581 40.800 0.286 0.000 1.117 203 D HN 0.604 nan 8.370 nan 0.000 0.578 204 I N -0.353 120.491 120.570 0.458 0.000 2.264 204 I HA -0.266 3.721 4.170 -0.305 0.000 0.248 204 I C 2.060 178.372 176.117 0.324 0.000 1.111 204 I CA 1.693 63.241 61.300 0.414 0.000 1.382 204 I CB -0.223 37.962 38.000 0.309 0.000 1.060 204 I HN 0.519 nan 8.210 nan 0.000 0.418 205 A N 0.535 123.511 122.820 0.259 0.000 1.902 205 A HA -0.290 3.847 4.320 -0.305 0.000 0.217 205 A C 2.195 179.863 177.584 0.139 0.000 1.181 205 A CA 1.840 53.982 52.037 0.174 0.000 0.623 205 A CB -1.204 17.887 19.000 0.151 0.000 0.818 205 A HN 0.606 nan 8.150 nan 0.000 0.443 206 F N -0.845 119.126 119.950 0.035 0.000 2.095 206 F HA -0.181 4.162 4.527 -0.306 0.000 0.298 206 F C 1.808 177.464 175.800 -0.240 0.000 1.104 206 F CA 1.658 59.575 58.000 -0.139 0.000 1.232 206 F CB -0.483 38.390 39.000 -0.211 0.000 0.987 206 F HN 0.368 nan 8.300 nan 0.000 0.475 207 W N 0.631 121.912 121.300 -0.031 0.000 2.800 207 W HA 0.031 4.507 4.660 -0.306 0.000 0.249 207 W C 2.199 178.622 176.519 -0.162 0.000 1.294 207 W CA 0.558 57.807 57.345 -0.160 0.000 1.402 207 W CB -0.322 29.160 29.460 0.036 0.000 1.126 207 W HN 0.119 nan 8.180 nan 0.000 0.652 208 Q N -0.593 119.238 119.800 0.051 0.000 2.376 208 Q HA 0.120 4.277 4.340 -0.305 0.000 0.206 208 Q C 1.540 177.494 176.000 -0.077 0.000 0.921 208 Q CA 0.479 56.294 55.803 0.020 0.000 0.911 208 Q CB 0.103 28.878 28.738 0.061 0.000 1.032 208 Q HN 0.174 nan 8.270 nan 0.000 0.510 209 G N 0.081 108.776 108.800 -0.174 0.000 2.532 209 G HA2 0.434 4.211 3.960 -0.305 0.000 0.291 209 G HA3 0.434 4.211 3.960 -0.305 0.000 0.291 209 G C -0.649 174.071 174.900 -0.299 0.000 1.349 209 G CA -0.741 44.239 45.100 -0.201 0.000 1.038 209 G HN 0.074 nan 8.290 nan 0.000 0.518 210 L N 0.644 121.713 121.223 -0.258 0.000 2.433 210 L HA 0.191 4.348 4.340 -0.305 0.000 0.275 210 L C -0.023 176.594 176.870 -0.421 0.000 1.128 210 L CA -0.368 54.310 54.840 -0.271 0.000 0.875 210 L CB 0.874 42.837 42.059 -0.159 0.000 1.171 210 L HN -0.003 nan 8.230 nan 0.000 0.463 211 V N 5.763 125.351 119.914 -0.544 0.000 2.567 211 V HA 0.254 4.191 4.120 -0.305 0.000 0.289 211 V C -2.004 173.908 176.094 -0.303 0.000 1.049 211 V CA -1.872 60.000 62.300 -0.713 0.000 0.969 211 V CB 1.448 32.696 31.823 -0.958 0.000 0.995 211 V HN 0.615 nan 8.190 nan 0.000 0.471 212 P HA 0.068 nan 4.420 nan 0.000 0.260 212 P C 0.656 178.124 177.300 0.279 0.000 1.185 212 P CA 0.449 63.558 63.100 0.016 0.000 0.763 212 P CB 0.440 32.165 31.700 0.042 0.000 0.776 213 G N 2.346 111.281 108.800 0.224 0.000 3.448 213 G HA2 -0.002 3.775 3.960 -0.305 0.000 0.261 213 G HA3 -0.002 3.775 3.960 -0.305 0.000 0.261 213 G C 0.218 175.364 174.900 0.410 0.000 1.173 213 G CA -0.186 45.019 45.100 0.175 0.000 0.835 213 G HN 0.490 nan 8.290 nan 0.000 0.534 214 D N -0.864 119.759 120.400 0.373 0.000 2.501 214 D HA 0.197 4.654 4.640 -0.305 0.000 0.226 214 D C 0.226 176.604 176.300 0.130 0.000 1.198 214 D CA -0.464 53.731 54.000 0.325 0.000 0.830 214 D CB 0.452 41.374 40.800 0.203 0.000 1.014 214 D HN -0.005 nan 8.370 nan 0.000 0.496 215 S N -0.524 115.255 115.700 0.132 0.000 2.543 215 S HA 0.336 4.623 4.470 -0.305 0.000 0.271 215 S C 0.625 175.107 174.600 -0.195 0.000 1.148 215 S CA -0.211 57.891 58.200 -0.163 0.000 0.914 215 S CB 1.398 64.616 63.200 0.029 0.000 1.096 215 S HN 0.078 nan 8.310 nan 0.000 0.471 216 S N 3.913 119.314 115.700 -0.499 0.000 2.555 216 S HA -0.057 4.229 4.470 -0.305 0.000 0.230 216 S C 1.675 176.244 174.600 -0.052 0.000 0.978 216 S CA 0.568 58.668 58.200 -0.166 0.000 0.934 216 S CB -0.366 62.737 63.200 -0.161 0.000 0.766 216 S HN 0.772 nan 8.310 nan 0.000 0.533 217 R N 0.572 120.972 120.500 -0.166 0.000 2.152 217 R HA -0.090 4.067 4.340 -0.305 0.000 0.232 217 R C 0.695 176.860 176.300 -0.225 0.000 1.117 217 R CA 1.392 57.318 56.100 -0.289 0.000 0.981 217 R CB -0.254 29.708 30.300 -0.564 0.000 0.870 217 R HN 0.628 nan 8.270 nan 0.000 0.451 218 Y N -0.453 120.047 120.300 0.332 0.000 2.555 218 Y HA 0.205 4.572 4.550 -0.305 0.000 0.259 218 Y C -0.151 176.127 175.900 0.631 0.000 1.179 218 Y CA -0.793 57.660 58.100 0.589 0.000 1.230 218 Y CB 0.711 39.524 38.460 0.590 0.000 1.146 218 Y HN -0.019 nan 8.280 nan 0.000 0.526 219 L N 3.599 125.064 121.223 0.403 0.000 2.328 219 L HA 0.213 4.370 4.340 -0.305 0.000 0.280 219 L C 0.205 177.133 176.870 0.096 0.000 1.111 219 L CA -1.051 53.864 54.840 0.124 0.000 0.909 219 L CB -0.367 41.687 42.059 -0.008 0.000 1.277 219 L HN 0.159 nan 8.230 nan 0.000 0.433 220 W N 2.962 124.405 121.300 0.238 0.000 2.126 220 W HA 0.401 4.879 4.660 -0.304 0.000 0.346 220 W C 0.134 176.684 176.519 0.050 0.000 1.279 220 W CA -0.038 57.355 57.345 0.079 0.000 1.259 220 W CB -0.157 29.273 29.460 -0.050 0.000 1.133 220 W HN 0.615 nan 8.180 nan 0.000 0.592 221 T N -3.096 111.671 114.554 0.354 0.000 3.028 221 T HA 0.185 4.352 4.350 -0.305 0.000 0.262 221 T C -0.070 174.760 174.700 0.217 0.000 0.916 221 T CA -0.217 62.020 62.100 0.227 0.000 0.873 221 T CB 0.393 69.316 68.868 0.091 0.000 1.232 221 T HN 0.469 nan 8.240 nan 0.000 0.529 222 E N 1.933 122.234 120.200 0.169 0.000 2.235 222 E HA 0.621 4.788 4.350 -0.305 0.000 0.265 222 E C -0.717 175.855 176.600 -0.046 0.000 0.940 222 E CA -0.916 55.513 56.400 0.048 0.000 0.819 222 E CB 2.020 31.716 29.700 -0.008 0.000 1.206 222 E HN 0.426 nan 8.360 nan 0.000 0.409 223 T N -1.972 112.529 114.554 -0.089 0.000 2.916 223 T HA 0.336 4.503 4.350 -0.305 0.000 0.292 223 T C -0.352 174.256 174.700 -0.153 0.000 1.055 223 T CA -0.961 61.047 62.100 -0.154 0.000 1.009 223 T CB 1.039 69.858 68.868 -0.082 0.000 1.118 223 T HN 0.320 nan 8.240 nan 0.000 0.497 224 H N 1.705 120.764 119.070 -0.019 0.000 2.732 224 H HA 0.339 4.712 4.556 -0.305 0.000 0.351 224 H C -2.131 173.198 175.328 0.001 0.000 1.090 224 H CA -0.842 55.214 56.048 0.013 0.000 1.431 224 H CB 0.785 30.575 29.762 0.046 0.000 1.447 224 H HN 0.467 nan 8.280 nan 0.000 0.582 225 P HA -0.026 nan 4.420 nan 0.000 0.276 225 P C 1.066 178.401 177.300 0.059 0.000 1.261 225 P CA -0.666 62.470 63.100 0.061 0.000 0.800 225 P CB 0.983 32.711 31.700 0.046 0.000 1.066 226 L N 1.175 122.403 121.223 0.010 0.000 2.079 226 L HA -0.195 3.962 4.340 -0.305 0.000 0.210 226 L C 1.336 178.220 176.870 0.022 0.000 1.081 226 L CA 2.002 56.837 54.840 -0.007 0.000 0.752 226 L CB -1.218 40.806 42.059 -0.057 0.000 0.896 226 L HN 0.310 nan 8.230 nan 0.000 0.433 227 D N -0.553 119.864 120.400 0.028 0.000 2.265 227 D HA -0.186 4.271 4.640 -0.305 0.000 0.208 227 D C 1.007 177.349 176.300 0.070 0.000 0.977 227 D CA 1.356 55.382 54.000 0.043 0.000 0.871 227 D CB -0.100 40.719 40.800 0.031 0.000 0.925 227 D HN 0.492 nan 8.370 nan 0.000 0.485 228 D N 0.099 120.549 120.400 0.084 0.000 2.349 228 D HA 0.113 4.570 4.640 -0.305 0.000 0.215 228 D C 0.707 177.077 176.300 0.116 0.000 1.016 228 D CA 0.139 54.190 54.000 0.084 0.000 0.870 228 D CB 0.476 41.337 40.800 0.102 0.000 0.917 228 D HN 0.219 nan 8.370 nan 0.000 0.524 229 L N 0.793 122.075 121.223 0.099 0.000 2.360 229 L HA 0.399 4.556 4.340 -0.305 0.000 0.271 229 L C -2.222 174.630 176.870 -0.030 0.000 1.057 229 L CA -2.211 52.647 54.840 0.030 0.000 0.803 229 L CB 0.898 42.989 42.059 0.053 0.000 1.207 229 L HN -0.372 nan 8.230 nan 0.000 0.445 230 P HA 0.171 nan 4.420 nan 0.000 0.263 230 P C -1.130 176.151 177.300 -0.032 0.000 1.195 230 P CA 0.213 62.922 63.100 -0.650 0.000 0.762 230 P CB 0.466 31.501 31.700 -1.107 0.000 0.799 231 R N 1.559 122.188 120.500 0.215 0.000 2.643 231 R HA 0.693 4.850 4.340 -0.305 0.000 0.269 231 R C -1.626 174.936 176.300 0.437 0.000 1.037 231 R CA -1.021 55.244 56.100 0.274 0.000 0.894 231 R CB 2.085 32.481 30.300 0.159 0.000 1.238 231 R HN 0.119 nan 8.270 nan 0.000 0.459 232 V N 1.217 121.371 119.914 0.400 0.000 2.623 232 V HA 0.495 4.432 4.120 -0.305 0.000 0.304 232 V C -0.735 175.484 176.094 0.208 0.000 1.054 232 V CA -0.639 61.840 62.300 0.298 0.000 0.882 232 V CB 2.345 34.318 31.823 0.251 0.000 1.002 232 V HN 0.810 nan 8.190 nan 0.000 0.424 233 T N 3.783 118.418 114.554 0.134 0.000 2.848 233 T HA 0.397 4.564 4.350 -0.305 0.000 0.285 233 T C -0.039 174.663 174.700 0.002 0.000 0.995 233 T CA -0.587 61.548 62.100 0.058 0.000 0.970 233 T CB 1.032 69.949 68.868 0.082 0.000 0.976 233 T HN 0.721 nan 8.240 nan 0.000 0.441 234 N N 2.519 121.192 118.700 -0.046 0.000 2.678 234 N HA -0.115 4.442 4.740 -0.305 0.000 0.268 234 N C -2.240 173.249 175.510 -0.034 0.000 1.010 234 N CA 0.369 53.390 53.050 -0.049 0.000 0.784 234 N CB -0.853 37.597 38.487 -0.062 0.000 0.905 234 N HN 0.505 nan 8.380 nan 0.000 0.552 235 P HA 0.187 nan 4.420 nan 0.000 0.274 235 P C -1.622 175.639 177.300 -0.066 0.000 1.246 235 P CA -1.081 61.979 63.100 -0.067 0.000 0.795 235 P CB 0.623 32.250 31.700 -0.121 0.000 1.006 236 P HA -0.119 nan 4.420 nan 0.000 0.216 236 P C 1.640 178.922 177.300 -0.031 0.000 1.150 236 P CA 1.862 64.932 63.100 -0.050 0.000 0.843 236 P CB -0.478 31.183 31.700 -0.065 0.000 0.787 237 G N -1.338 107.433 108.800 -0.049 0.000 2.509 237 G HA2 0.072 3.849 3.960 -0.305 0.000 0.218 237 G HA3 0.072 3.849 3.960 -0.305 0.000 0.218 237 G C 1.183 176.167 174.900 0.141 0.000 1.124 237 G CA 0.632 45.760 45.100 0.047 0.000 0.776 237 G HN 0.464 nan 8.290 nan 0.000 0.547 238 G N -1.275 107.552 108.800 0.044 0.000 2.143 238 G HA2 -0.065 3.712 3.960 -0.305 0.000 0.248 238 G HA3 -0.065 3.712 3.960 -0.305 0.000 0.248 238 G C 0.146 175.155 174.900 0.183 0.000 0.991 238 G CA 0.555 45.707 45.100 0.087 0.000 0.689 238 G HN 1.594 nan 8.290 nan 0.000 0.522 239 F N -2.102 117.846 119.950 -0.002 0.000 2.741 239 F HA 0.761 5.104 4.527 -0.306 0.000 0.311 239 F C -0.688 175.145 175.800 0.055 0.000 1.149 239 F CA -1.168 56.837 58.000 0.009 0.000 0.930 239 F CB 1.061 40.036 39.000 -0.040 0.000 1.312 239 F HN 0.797 nan 8.300 nan 0.000 0.450 240 V N 0.518 120.506 119.914 0.124 0.000 3.007 240 V HA 0.970 4.907 4.120 -0.305 0.000 0.311 240 V C -1.440 174.880 176.094 0.377 0.000 1.120 240 V CA -0.635 61.694 62.300 0.049 0.000 0.980 240 V CB 1.376 33.283 31.823 0.139 0.000 1.033 240 V HN 1.460 nan 8.190 nan 0.000 0.429 241 Q N 1.487 121.456 119.800 0.281 0.000 2.522 241 Q HA 0.642 4.799 4.340 -0.305 0.000 0.285 241 Q C -1.588 174.517 176.000 0.175 0.000 0.982 241 Q CA -0.578 55.483 55.803 0.430 0.000 0.805 241 Q CB 1.875 31.024 28.738 0.686 0.000 1.457 241 Q HN 0.959 nan 8.270 nan 0.000 0.394 242 N N 0.412 119.240 118.700 0.213 0.000 2.600 242 N HA 0.282 4.839 4.740 -0.305 0.000 0.272 242 N C -1.506 174.063 175.510 0.098 0.000 1.095 242 N CA -0.218 52.901 53.050 0.114 0.000 0.993 242 N CB 1.972 40.550 38.487 0.151 0.000 1.603 242 N HN 0.604 nan 8.380 nan 0.000 0.526 243 S N 2.552 118.292 115.700 0.067 0.000 2.499 243 S HA 0.280 4.567 4.470 -0.305 0.000 0.238 243 S C 0.416 175.024 174.600 0.014 0.000 1.205 243 S CA -0.418 57.790 58.200 0.013 0.000 1.203 243 S CB -0.580 62.653 63.200 0.055 0.000 0.954 243 S HN 0.824 nan 8.310 nan 0.000 0.484 244 N N 1.508 120.225 118.700 0.028 0.000 2.965 244 N HA -0.152 4.405 4.740 -0.305 0.000 0.232 244 N C -0.567 174.937 175.510 -0.010 0.000 0.913 244 N CA 1.166 54.237 53.050 0.035 0.000 0.981 244 N CB -0.886 37.630 38.487 0.049 0.000 1.077 244 N HN 0.622 nan 8.380 nan 0.000 0.589 245 D N 0.802 121.157 120.400 -0.076 0.000 2.344 245 D HA 0.252 4.709 4.640 -0.305 0.000 0.244 245 D C -2.386 173.754 176.300 -0.267 0.000 1.134 245 D CA -1.193 52.662 54.000 -0.241 0.000 0.930 245 D CB 0.066 40.602 40.800 -0.440 0.000 1.175 245 D HN -0.071 nan 8.370 nan 0.000 0.437 246 P HA 0.050 nan 4.420 nan 0.000 0.267 246 P C -1.830 175.140 177.300 -0.549 0.000 1.201 246 P CA -0.689 62.199 63.100 -0.354 0.000 0.775 246 P CB -0.092 31.516 31.700 -0.153 0.000 0.854 247 P HA -0.047 nan 4.420 nan 0.000 0.269 247 P C -0.078 176.975 177.300 -0.412 0.000 1.461 247 P CA 0.644 63.392 63.100 -0.586 0.000 0.809 247 P CB -0.581 30.755 31.700 -0.607 0.000 1.503 248 W N -0.582 120.853 121.300 0.225 0.000 3.077 248 W HA 0.138 4.613 4.660 -0.309 0.000 0.266 248 W C 0.485 177.173 176.519 0.281 0.000 1.300 248 W CA -0.081 57.459 57.345 0.324 0.000 1.586 248 W CB 0.124 29.824 29.460 0.400 0.000 1.103 248 W HN -0.076 nan 8.180 nan 0.000 0.652 249 T N 1.025 115.819 114.554 0.399 0.000 3.624 249 T HA 0.090 4.257 4.350 -0.305 0.000 0.244 249 T C -1.705 173.073 174.700 0.129 0.000 1.063 249 T CA -0.707 61.601 62.100 0.348 0.000 1.252 249 T CB 0.539 69.701 68.868 0.490 0.000 1.021 249 T HN -0.138 nan 8.240 nan 0.000 0.590 250 P HA 0.074 nan 4.420 nan 0.000 0.229 250 P C 0.565 177.735 177.300 -0.217 0.000 1.160 250 P CA 0.867 63.799 63.100 -0.280 0.000 0.777 250 P CB 0.536 31.888 31.700 -0.580 0.000 0.814 251 T N -2.169 112.274 114.554 -0.186 0.000 2.711 251 T HA 0.456 4.623 4.350 -0.305 0.000 0.302 251 T C -2.688 172.008 174.700 -0.005 0.000 1.373 251 T CA -0.687 61.136 62.100 -0.462 0.000 1.000 251 T CB 1.193 69.740 68.868 -0.535 0.000 1.483 251 T HN -0.017 nan 8.240 nan 0.000 0.499 252 W N 3.481 124.605 121.300 -0.293 0.000 3.216 252 W HA 0.430 4.911 4.660 -0.298 0.000 0.335 252 W C -2.961 173.561 176.519 0.005 0.000 1.077 252 W CA -1.797 55.547 57.345 -0.002 0.000 1.252 252 W CB 1.599 31.185 29.460 0.211 0.000 1.312 252 W HN 0.558 nan 8.180 nan 0.000 0.446 253 P HA 0.015 nan 4.420 nan 0.000 0.269 253 P C 0.159 177.256 177.300 -0.337 0.000 1.215 253 P CA 0.024 62.762 63.100 -0.604 0.000 0.780 253 P CB 0.667 32.098 31.700 -0.449 0.000 0.898 254 V N -0.341 119.371 119.914 -0.337 0.000 3.237 254 V HA 0.267 4.204 4.120 -0.305 0.000 0.305 254 V C 1.043 177.007 176.094 -0.216 0.000 1.096 254 V CA 0.772 62.950 62.300 -0.204 0.000 1.130 254 V CB 0.163 31.922 31.823 -0.106 0.000 1.048 254 V HN 0.773 nan 8.190 nan 0.000 0.484 255 T N -1.585 112.805 114.554 -0.273 0.000 3.040 255 T HA 0.416 4.583 4.350 -0.305 0.000 0.266 255 T C -0.032 174.684 174.700 0.027 0.000 1.005 255 T CA 0.503 62.524 62.100 -0.131 0.000 0.906 255 T CB -0.429 68.395 68.868 -0.072 0.000 1.082 255 T HN 1.381 nan 8.240 nan 0.000 0.531 256 Y N -0.676 119.714 120.300 0.150 0.000 2.779 256 Y HA 0.717 5.085 4.550 -0.304 0.000 0.340 256 Y C -0.813 175.218 175.900 0.218 0.000 1.252 256 Y CA -1.456 56.765 58.100 0.201 0.000 1.072 256 Y CB 0.650 39.332 38.460 0.371 0.000 1.343 256 Y HN 0.161 nan 8.280 nan 0.000 0.450 257 T N -3.206 111.642 114.554 0.490 0.000 2.887 257 T HA 0.526 4.693 4.350 -0.305 0.000 0.292 257 T C -2.661 172.060 174.700 0.036 0.000 1.087 257 T CA -2.444 59.798 62.100 0.237 0.000 1.009 257 T CB 2.294 71.188 68.868 0.043 0.000 1.203 257 T HN 0.352 nan 8.240 nan 0.000 0.518 258 P HA -0.149 nan 4.420 nan 0.000 0.216 258 P C 1.377 178.476 177.300 -0.335 0.000 1.150 258 P CA 1.340 63.833 63.100 -1.013 0.000 0.843 258 P CB -0.047 30.993 31.700 -1.100 0.000 0.787 259 K N -0.814 119.465 120.400 -0.202 0.000 2.442 259 K HA -0.130 4.007 4.320 -0.305 0.000 0.198 259 K C 0.720 177.239 176.600 -0.134 0.000 1.044 259 K CA 1.429 57.639 56.287 -0.127 0.000 0.948 259 K CB -0.596 31.846 32.500 -0.098 0.000 0.762 259 K HN 0.096 nan 8.250 nan 0.000 0.472 260 D N -0.069 120.237 120.400 -0.156 0.000 2.355 260 D HA 0.092 4.549 4.640 -0.305 0.000 0.218 260 D C -0.338 175.489 176.300 -0.788 0.000 1.004 260 D CA 0.541 54.287 54.000 -0.424 0.000 0.880 260 D CB 0.057 40.559 40.800 -0.497 0.000 0.911 260 D HN 0.127 nan 8.370 nan 0.000 0.528 261 F N -0.400 119.470 119.950 -0.133 0.000 2.620 261 F HA 0.396 4.739 4.527 -0.306 0.000 0.320 261 F C -2.080 173.599 175.800 -0.202 0.000 1.069 261 F CA -2.652 55.251 58.000 -0.161 0.000 0.953 261 F CB 0.671 39.598 39.000 -0.122 0.000 1.322 261 F HN -0.412 nan 8.300 nan 0.000 0.479 262 P HA 0.060 nan 4.420 nan 0.000 0.266 262 P C 0.442 177.546 177.300 -0.328 0.000 1.195 262 P CA 0.109 62.973 63.100 -0.392 0.000 0.768 262 P CB 0.691 31.832 31.700 -0.932 0.000 0.838 263 S N 1.421 117.021 115.700 -0.166 0.000 2.547 263 S HA -0.174 4.113 4.470 -0.305 0.000 0.235 263 S C 1.232 175.912 174.600 0.134 0.000 0.980 263 S CA 0.627 58.842 58.200 0.026 0.000 0.941 263 S CB -1.135 62.129 63.200 0.105 0.000 0.763 263 S HN 0.579 nan 8.310 nan 0.000 0.532 264 Y N -0.390 120.025 120.300 0.192 0.000 2.457 264 Y HA 0.526 4.893 4.550 -0.305 0.000 0.263 264 Y C 1.480 177.460 175.900 0.135 0.000 1.164 264 Y CA -1.050 57.170 58.100 0.200 0.000 1.274 264 Y CB -0.542 38.013 38.460 0.159 0.000 1.097 264 Y HN 0.124 nan 8.280 nan 0.000 0.523 265 L N 0.653 121.918 121.223 0.071 0.000 2.023 265 L HA 0.192 4.349 4.340 -0.305 0.000 0.205 265 L C 1.104 178.062 176.870 0.146 0.000 1.073 265 L CA 0.997 55.897 54.840 0.100 0.000 0.745 265 L CB -0.328 41.653 42.059 -0.130 0.000 0.900 265 L HN 0.385 nan 8.230 nan 0.000 0.435 266 A N -1.605 121.277 122.820 0.103 0.000 2.556 266 A HA 0.674 4.811 4.320 -0.305 0.000 0.294 266 A C -2.607 175.140 177.584 0.273 0.000 1.091 266 A CA -1.160 50.947 52.037 0.116 0.000 0.704 266 A CB 1.020 19.837 19.000 -0.305 0.000 1.300 266 A HN -0.154 nan 8.150 nan 0.000 0.406 267 P HA 0.368 nan 4.420 nan 0.000 0.273 267 P C -0.671 176.905 177.300 0.461 0.000 1.250 267 P CA -0.038 63.233 63.100 0.284 0.000 0.793 267 P CB 0.424 32.238 31.700 0.191 0.000 1.011 268 Q N -0.595 119.435 119.800 0.384 0.000 2.217 268 Q HA 0.170 4.327 4.340 -0.305 0.000 0.340 268 Q C -0.259 175.929 176.000 0.315 0.000 0.893 268 Q CA -0.196 55.866 55.803 0.431 0.000 1.142 268 Q CB 0.317 29.207 28.738 0.255 0.000 1.288 268 Q HN 0.531 nan 8.270 nan 0.000 0.426 269 T N -2.653 112.032 114.554 0.218 0.000 2.881 269 T HA 0.482 4.649 4.350 -0.305 0.000 0.278 269 T C -2.486 172.076 174.700 -0.230 0.000 0.982 269 T CA -2.079 60.060 62.100 0.065 0.000 0.989 269 T CB 0.942 69.841 68.868 0.052 0.000 1.058 269 T HN -0.133 nan 8.240 nan 0.000 0.529 270 P HA 0.095 nan 4.420 nan 0.000 0.265 270 P C -0.278 176.518 177.300 -0.840 0.000 1.193 270 P CA 0.020 62.387 63.100 -1.221 0.000 0.765 270 P CB -0.013 31.368 31.700 -0.531 0.000 0.823 271 H N 0.344 118.633 119.070 -1.302 0.000 2.722 271 H HA 0.176 4.550 4.556 -0.304 0.000 0.328 271 H C 0.975 176.156 175.328 -0.245 0.000 1.067 271 H CA -0.724 55.057 56.048 -0.445 0.000 1.447 271 H CB 0.717 30.414 29.762 -0.108 0.000 1.469 271 H HN 0.476 nan 8.280 nan 0.000 0.544 272 S N 3.039 118.750 115.700 0.018 0.000 2.569 272 S HA -0.035 4.251 4.470 -0.305 0.000 0.274 272 S C 1.448 176.125 174.600 0.128 0.000 1.353 272 S CA -0.657 57.584 58.200 0.069 0.000 1.023 272 S CB 0.583 63.836 63.200 0.088 0.000 0.876 272 S HN 0.595 nan 8.310 nan 0.000 0.540 273 L N 0.949 122.267 121.223 0.158 0.000 2.191 273 L HA -0.082 4.075 4.340 -0.305 0.000 0.212 273 L C 2.952 179.943 176.870 0.201 0.000 1.103 273 L CA 1.640 56.591 54.840 0.185 0.000 0.769 273 L CB -0.615 41.574 42.059 0.216 0.000 0.908 273 L HN 0.829 nan 8.230 nan 0.000 0.438 274 R N 0.720 121.342 120.500 0.203 0.000 2.075 274 R HA -0.131 4.026 4.340 -0.305 0.000 0.232 274 R C 2.343 178.802 176.300 0.266 0.000 1.126 274 R CA 1.339 57.580 56.100 0.234 0.000 0.963 274 R CB -0.179 30.222 30.300 0.169 0.000 0.858 274 R HN 0.283 nan 8.270 nan 0.000 0.435 275 A N 0.678 123.618 122.820 0.200 0.000 1.969 275 A HA -0.151 3.986 4.320 -0.305 0.000 0.218 275 A C 2.015 179.734 177.584 0.226 0.000 1.169 275 A CA 1.188 53.344 52.037 0.200 0.000 0.635 275 A CB -0.333 18.733 19.000 0.110 0.000 0.810 275 A HN 0.500 nan 8.150 nan 0.000 0.445 276 Q N -0.947 118.980 119.800 0.211 0.000 2.119 276 Q HA -0.170 3.986 4.340 -0.305 0.000 0.201 276 Q C 2.260 178.332 176.000 0.119 0.000 0.972 276 Q CA 1.255 57.161 55.803 0.171 0.000 0.847 276 Q CB -0.155 28.684 28.738 0.169 0.000 0.903 276 Q HN 0.579 nan 8.270 nan 0.000 0.433 277 Q N 0.026 119.922 119.800 0.159 0.000 2.084 277 Q HA -0.141 4.016 4.340 -0.305 0.000 0.202 277 Q C 2.212 178.273 176.000 0.102 0.000 0.978 277 Q CA 1.283 57.159 55.803 0.122 0.000 0.844 277 Q CB -0.386 28.469 28.738 0.194 0.000 0.898 277 Q HN 0.247 nan 8.270 nan 0.000 0.426 278 S N -0.110 115.747 115.700 0.260 0.000 2.359 278 S HA -0.129 4.158 4.470 -0.305 0.000 0.224 278 S C 2.055 176.770 174.600 0.191 0.000 1.035 278 S CA 1.458 59.880 58.200 0.370 0.000 1.018 278 S CB -0.137 63.437 63.200 0.623 0.000 0.876 278 S HN 0.199 nan 8.310 nan 0.000 0.448 279 V N 1.933 121.931 119.914 0.141 0.000 2.343 279 V HA -0.124 3.813 4.120 -0.305 0.000 0.247 279 V C 2.716 178.709 176.094 -0.168 0.000 1.051 279 V CA 2.029 64.355 62.300 0.043 0.000 1.036 279 V CB -0.702 31.139 31.823 0.029 0.000 0.654 279 V HN 0.433 nan 8.190 nan 0.000 0.451 280 R N -0.720 119.685 120.500 -0.158 0.000 2.066 280 R HA 0.016 4.173 4.340 -0.305 0.000 0.232 280 R C 1.130 177.274 176.300 -0.261 0.000 1.131 280 R CA 0.613 56.593 56.100 -0.200 0.000 0.955 280 R CB -0.328 29.891 30.300 -0.136 0.000 0.851 280 R HN 0.357 nan 8.270 nan 0.000 0.432 284 E N 1.772 121.857 120.200 -0.192 0.000 2.481 284 E HA 0.239 4.406 4.350 -0.305 0.000 0.195 284 E C -0.343 176.171 176.600 -0.142 0.000 1.047 284 E CA 0.162 56.482 56.400 -0.134 0.000 0.867 284 E CB 0.077 29.697 29.700 -0.135 0.000 0.858 284 E HN 0.461 nan 8.360 nan 0.000 0.513 285 N N 1.012 119.595 118.700 -0.196 0.000 2.321 285 N HA 0.185 4.742 4.740 -0.305 0.000 0.299 285 N C -1.135 174.286 175.510 -0.149 0.000 1.048 285 N CA -0.340 52.607 53.050 -0.172 0.000 0.836 285 N CB 1.992 40.352 38.487 -0.213 0.000 1.269 285 N HN -0.065 nan 8.380 nan 0.000 0.486 286 D N -0.564 119.773 120.400 -0.105 0.000 2.566 286 D HA 0.220 4.677 4.640 -0.305 0.000 0.254 286 D C -0.719 175.536 176.300 -0.075 0.000 1.090 286 D CA -0.217 53.734 54.000 -0.081 0.000 1.034 286 D CB 1.242 42.010 40.800 -0.055 0.000 1.434 286 D HN 0.575 nan 8.370 nan 0.000 0.509 287 D N 0.272 120.633 120.400 -0.064 0.000 2.708 287 D HA -0.187 4.270 4.640 -0.305 0.000 0.236 287 D C -0.699 175.559 176.300 -0.069 0.000 1.146 287 D CA 0.485 54.449 54.000 -0.060 0.000 0.662 287 D CB -1.193 39.577 40.800 -0.050 0.000 1.059 287 D HN 0.307 nan 8.370 nan 0.000 0.428 288 L N 0.447 121.620 121.223 -0.084 0.000 2.453 288 L HA 0.275 4.432 4.340 -0.305 0.000 0.272 288 L C 1.485 178.305 176.870 -0.083 0.000 1.182 288 L CA 0.489 55.279 54.840 -0.083 0.000 0.858 288 L CB 0.713 42.713 42.059 -0.097 0.000 1.120 288 L HN 0.267 nan 8.230 nan 0.000 0.474 289 T N -0.475 114.043 114.554 -0.060 0.000 2.952 289 T HA 0.286 4.453 4.350 -0.305 0.000 0.286 289 T C 0.742 175.417 174.700 -0.043 0.000 1.024 289 T CA -0.915 61.149 62.100 -0.061 0.000 1.029 289 T CB 1.671 70.509 68.868 -0.051 0.000 1.094 289 T HN 0.435 nan 8.240 nan 0.000 0.515 290 L N 0.762 121.951 121.223 -0.056 0.000 2.079 290 L HA 0.008 4.165 4.340 -0.305 0.000 0.210 290 L C 2.313 179.182 176.870 -0.001 0.000 1.081 290 L CA 1.948 56.774 54.840 -0.023 0.000 0.752 290 L CB -1.146 40.886 42.059 -0.045 0.000 0.896 290 L HN 0.791 nan 8.230 nan 0.000 0.433 291 E N -0.415 119.748 120.200 -0.061 0.000 2.058 291 E HA -0.251 3.916 4.350 -0.305 0.000 0.194 291 E C 2.322 178.884 176.600 -0.063 0.000 0.997 291 E CA 1.468 57.810 56.400 -0.098 0.000 0.801 291 E CB -0.345 29.298 29.700 -0.095 0.000 0.746 291 E HN 0.323 nan 8.360 nan 0.000 0.450 292 R N 0.014 120.495 120.500 -0.032 0.000 2.092 292 R HA -0.021 4.136 4.340 -0.305 0.000 0.231 292 R C 0.674 176.978 176.300 0.006 0.000 1.119 292 R CA 0.467 56.548 56.100 -0.030 0.000 0.970 292 R CB -0.779 29.498 30.300 -0.038 0.000 0.864 292 R HN 0.136 nan 8.270 nan 0.000 0.440 296 L N 0.627 121.794 121.223 -0.094 0.000 2.141 296 L HA -0.145 4.011 4.340 -0.305 0.000 0.209 296 L C 2.628 179.500 176.870 0.003 0.000 1.094 296 L CA 1.641 56.434 54.840 -0.078 0.000 0.763 296 L CB -0.212 41.752 42.059 -0.158 0.000 0.908 296 L HN 0.565 nan 8.230 nan 0.000 0.437 297 Q N 0.820 120.613 119.800 -0.010 0.000 2.226 297 Q HA -0.162 3.995 4.340 -0.305 0.000 0.204 297 Q C 2.026 178.091 176.000 0.109 0.000 0.975 297 Q CA 1.327 57.125 55.803 -0.008 0.000 0.866 297 Q CB -0.027 28.604 28.738 -0.178 0.000 0.915 297 Q HN 0.562 nan 8.270 nan 0.000 0.440 298 L N 0.806 122.053 121.223 0.039 0.000 2.610 298 L HA 0.052 4.208 4.340 -0.305 0.000 0.232 298 L C 0.810 177.660 176.870 -0.035 0.000 1.149 298 L CA -0.292 54.577 54.840 0.049 0.000 0.872 298 L CB -0.100 41.971 42.059 0.021 0.000 0.992 298 L HN -0.113 nan 8.230 nan 0.000 0.447 299 S N 0.799 116.500 115.700 0.000 0.000 2.593 299 S HA -0.087 4.200 4.470 -0.305 0.000 0.300 299 S C 0.582 175.265 174.600 0.139 0.000 1.267 299 S CA 0.187 58.376 58.200 -0.019 0.000 1.065 299 S CB -0.288 62.928 63.200 0.026 0.000 0.807 299 S HN 0.521 nan 8.310 nan 0.000 0.499 300 H N 0.418 119.596 119.070 0.179 0.000 2.825 300 H HA 0.455 4.826 4.556 -0.308 0.000 0.226 300 H C -0.214 175.239 175.328 0.208 0.000 1.414 300 H CA -0.946 55.264 56.048 0.269 0.000 1.198 300 H CB 0.171 30.119 29.762 0.311 0.000 2.013 300 H HN 0.328 nan 8.280 nan 0.000 0.530 301 R N 1.713 122.378 120.500 0.274 0.000 2.438 301 R HA 0.395 4.552 4.340 -0.305 0.000 0.287 301 R C -0.070 176.204 176.300 -0.044 0.000 1.077 301 R CA 0.045 56.157 56.100 0.019 0.000 1.034 301 R CB 0.683 30.976 30.300 -0.012 0.000 0.993 301 R HN 0.551 nan 8.270 nan 0.000 0.459 302 A N 5.564 128.103 122.820 -0.468 0.000 3.037 302 A HA 0.260 4.396 4.320 -0.305 0.000 0.272 302 A C 0.072 177.521 177.584 -0.224 0.000 1.723 302 A CA -0.636 51.127 52.037 -0.457 0.000 1.413 302 A CB -0.555 17.797 19.000 -1.080 0.000 1.112 302 A HN 0.571 nan 8.150 nan 0.000 0.606 306 D N 0.580 120.910 120.400 -0.117 0.000 2.178 306 D HA -0.099 4.358 4.640 -0.305 0.000 0.201 306 D C 1.619 177.998 176.300 0.131 0.000 0.980 306 D CA 0.920 54.904 54.000 -0.027 0.000 0.842 306 D CB -0.043 40.742 40.800 -0.024 0.000 0.948 306 D HN 0.321 nan 8.370 nan 0.000 0.472 307 R N 0.025 120.643 120.500 0.196 0.000 2.240 307 R HA 0.038 4.195 4.340 -0.305 0.000 0.203 307 R C 1.928 178.243 176.300 0.026 0.000 1.011 307 R CA 0.790 57.043 56.100 0.256 0.000 1.007 307 R CB -0.229 30.303 30.300 0.385 0.000 0.911 307 R HN 0.344 nan 8.270 nan 0.000 0.468 308 T N -3.289 111.305 114.554 0.066 0.000 3.028 308 T HA 0.207 4.373 4.350 -0.305 0.000 0.250 308 T C 1.976 176.590 174.700 -0.145 0.000 0.979 308 T CA -0.311 61.754 62.100 -0.058 0.000 1.004 308 T CB -0.229 68.637 68.868 -0.003 0.000 1.120 308 T HN -0.042 nan 8.240 nan 0.000 0.482 309 L N 1.322 122.479 121.223 -0.110 0.000 2.187 309 L HA 0.039 4.196 4.340 -0.305 0.000 0.213 309 L C -0.664 176.147 176.870 -0.099 0.000 1.100 309 L CA 1.271 56.024 54.840 -0.145 0.000 0.765 309 L CB -1.597 40.384 42.059 -0.130 0.000 0.904 309 L HN 0.259 nan 8.230 nan 0.000 0.437 310 P HA -0.135 nan 4.420 nan 0.000 0.216 310 P C 0.844 178.138 177.300 -0.010 0.000 1.150 310 P CA 1.320 64.423 63.100 0.005 0.000 0.837 310 P CB 0.083 31.847 31.700 0.107 0.000 0.786 311 D N -1.697 118.676 120.400 -0.045 0.000 2.262 311 D HA -0.016 4.441 4.640 -0.305 0.000 0.212 311 D C 1.776 178.034 176.300 -0.070 0.000 0.964 311 D CA 0.460 54.438 54.000 -0.037 0.000 0.875 311 D CB -0.736 40.042 40.800 -0.037 0.000 0.996 311 D HN 0.016 nan 8.370 nan 0.000 0.497 312 L N 0.970 122.106 121.223 -0.146 0.000 2.056 312 L HA -0.099 4.058 4.340 -0.305 0.000 0.207 312 L C 1.894 178.665 176.870 -0.165 0.000 1.078 312 L CA 1.182 55.895 54.840 -0.211 0.000 0.749 312 L CB -0.324 41.449 42.059 -0.476 0.000 0.901 312 L HN -0.092 nan 8.230 nan 0.000 0.433 313 I N 0.374 120.860 120.570 -0.140 0.000 2.127 313 I HA -0.192 3.795 4.170 -0.305 0.000 0.241 313 I C 0.015 176.096 176.117 -0.061 0.000 1.075 313 I CA 1.641 62.883 61.300 -0.098 0.000 1.334 313 I CB -2.905 35.051 38.000 -0.073 0.000 1.040 313 I HN 0.228 nan 8.210 nan 0.000 0.405 314 P HA -0.114 nan 4.420 nan 0.000 0.215 314 P C 1.702 178.991 177.300 -0.019 0.000 1.153 314 P CA 2.054 65.140 63.100 -0.023 0.000 0.853 314 P CB -0.030 31.664 31.700 -0.011 0.000 0.788 315 A N -0.094 122.712 122.820 -0.023 0.000 1.933 315 A HA -0.090 4.047 4.320 -0.305 0.000 0.218 315 A C 2.316 179.891 177.584 -0.015 0.000 1.175 315 A CA 2.027 54.058 52.037 -0.011 0.000 0.628 315 A CB -1.578 17.420 19.000 -0.004 0.000 0.814 315 A HN 0.198 nan 8.150 nan 0.000 0.444 316 A N -0.316 122.482 122.820 -0.037 0.000 1.930 316 A HA 0.039 4.176 4.320 -0.305 0.000 0.217 316 A C 2.034 179.604 177.584 -0.022 0.000 1.175 316 A CA 1.270 53.286 52.037 -0.036 0.000 0.627 316 A CB -0.545 18.413 19.000 -0.069 0.000 0.815 316 A HN 0.461 nan 8.150 nan 0.000 0.443 317 L N -0.447 120.762 121.223 -0.023 0.000 2.362 317 L HA -0.090 4.067 4.340 -0.305 0.000 0.219 317 L C 2.028 178.893 176.870 -0.007 0.000 1.134 317 L CA 0.584 55.415 54.840 -0.015 0.000 0.807 317 L CB -0.388 41.661 42.059 -0.016 0.000 0.927 317 L HN 0.397 nan 8.230 nan 0.000 0.447 318 I N -0.790 119.778 120.570 -0.004 0.000 2.617 318 I HA -0.136 3.851 4.170 -0.305 0.000 0.256 318 I C 0.781 176.900 176.117 0.004 0.000 1.167 318 I CA 0.261 61.562 61.300 0.002 0.000 1.469 318 I CB -0.135 37.869 38.000 0.006 0.000 1.098 318 I HN 0.185 nan 8.210 nan 0.000 0.436 319 D N 1.054 121.456 120.400 0.004 0.000 2.455 319 D HA -0.000 4.457 4.640 -0.305 0.000 0.241 319 D C -1.585 174.718 176.300 0.006 0.000 1.138 319 D CA -1.102 52.903 54.000 0.008 0.000 0.877 319 D CB 1.245 42.051 40.800 0.009 0.000 1.187 319 D HN -0.093 nan 8.370 nan 0.000 0.451 320 P HA -0.057 nan 4.420 nan 0.000 0.219 320 P C -0.393 176.910 177.300 0.005 0.000 1.150 320 P CA 0.515 63.619 63.100 0.006 0.000 0.814 320 P CB 0.147 31.851 31.700 0.007 0.000 0.787 321 D N -0.105 120.299 120.400 0.007 0.000 2.389 321 D HA -0.013 4.444 4.640 -0.305 0.000 0.263 321 D C -1.504 174.799 176.300 0.004 0.000 1.255 321 D CA -1.748 52.256 54.000 0.007 0.000 0.914 321 D CB 0.573 41.379 40.800 0.010 0.000 1.116 321 D HN 0.029 nan 8.370 nan 0.000 0.502 322 P HA -0.141 nan 4.420 nan 0.000 0.218 322 P C 0.987 178.288 177.300 0.000 0.000 1.146 322 P CA 0.937 64.037 63.100 0.001 0.000 0.813 322 P CB 0.293 31.994 31.700 0.001 0.000 0.778 323 E N -0.661 119.541 120.200 0.003 0.000 2.158 323 E HA -0.089 4.078 4.350 -0.305 0.000 0.191 323 E C 1.701 178.303 176.600 0.003 0.000 0.982 323 E CA 0.591 56.993 56.400 0.003 0.000 0.823 323 E CB -0.206 29.498 29.700 0.008 0.000 0.766 323 E HN -0.044 nan 8.360 nan 0.000 0.468 324 V N 1.247 121.164 119.914 0.004 0.000 2.453 324 V HA -0.240 3.697 4.120 -0.305 0.000 0.247 324 V C 2.207 178.295 176.094 -0.010 0.000 1.048 324 V CA 1.797 64.098 62.300 0.001 0.000 1.049 324 V CB -0.410 31.417 31.823 0.006 0.000 0.672 324 V HN 0.315 nan 8.190 nan 0.000 0.457 325 Q N 0.067 119.862 119.800 -0.008 0.000 2.079 325 Q HA -0.130 4.027 4.340 -0.305 0.000 0.200 325 Q C 2.432 178.424 176.000 -0.014 0.000 0.974 325 Q CA 1.710 57.506 55.803 -0.012 0.000 0.840 325 Q CB -0.416 28.317 28.738 -0.007 0.000 0.898 325 Q HN 0.650 nan 8.270 nan 0.000 0.430 326 A N 1.277 124.090 122.820 -0.010 0.000 1.930 326 A HA -0.090 4.047 4.320 -0.305 0.000 0.217 326 A C 2.325 179.899 177.584 -0.016 0.000 1.175 326 A CA 1.507 53.537 52.037 -0.012 0.000 0.627 326 A CB -0.755 18.240 19.000 -0.008 0.000 0.815 326 A HN 0.385 nan 8.150 nan 0.000 0.443 327 A N -0.057 122.754 122.820 -0.016 0.000 1.902 327 A HA 0.154 4.291 4.320 -0.305 0.000 0.217 327 A C 2.502 180.066 177.584 -0.033 0.000 1.181 327 A CA 2.073 54.097 52.037 -0.021 0.000 0.623 327 A CB -1.005 17.987 19.000 -0.013 0.000 0.818 327 A HN 1.040 nan 8.150 nan 0.000 0.443 328 A N -0.201 122.597 122.820 -0.038 0.000 1.902 328 A HA -0.175 3.962 4.320 -0.305 0.000 0.217 328 A C 2.254 179.818 177.584 -0.032 0.000 1.181 328 A CA 1.545 53.553 52.037 -0.049 0.000 0.623 328 A CB -0.465 18.506 19.000 -0.049 0.000 0.818 328 A HN 0.543 nan 8.150 nan 0.000 0.443 329 R N -1.263 119.224 120.500 -0.023 0.000 2.115 329 R HA -0.046 4.111 4.340 -0.305 0.000 0.230 329 R C 2.070 178.364 176.300 -0.009 0.000 1.111 329 R CA 1.197 57.288 56.100 -0.015 0.000 0.976 329 R CB -0.455 29.837 30.300 -0.013 0.000 0.870 329 R HN 0.510 nan 8.270 nan 0.000 0.445 330 L N 1.004 122.217 121.223 -0.016 0.000 2.027 330 L HA -0.101 4.055 4.340 -0.305 0.000 0.206 330 L C 1.905 178.773 176.870 -0.003 0.000 1.074 330 L CA 1.616 56.443 54.840 -0.022 0.000 0.745 330 L CB -0.298 41.733 42.059 -0.046 0.000 0.898 330 L HN 0.089 nan 8.230 nan 0.000 0.433 331 L N -0.567 120.657 121.223 0.001 0.000 2.141 331 L HA -0.122 4.034 4.340 -0.305 0.000 0.209 331 L C 2.615 179.544 176.870 0.098 0.000 1.094 331 L CA 1.025 55.904 54.840 0.065 0.000 0.763 331 L CB -0.804 41.274 42.059 0.031 0.000 0.908 331 L HN 0.380 nan 8.230 nan 0.000 0.437 332 A N -0.188 122.650 122.820 0.030 0.000 1.969 332 A HA -0.044 4.093 4.320 -0.305 0.000 0.218 332 A C 2.393 179.989 177.584 0.021 0.000 1.169 332 A CA 1.458 53.500 52.037 0.008 0.000 0.635 332 A CB -0.463 18.529 19.000 -0.013 0.000 0.810 332 A HN 0.376 nan 8.150 nan 0.000 0.445 333 A N -1.927 120.919 122.820 0.043 0.000 2.169 333 A HA 0.167 4.304 4.320 -0.305 0.000 0.212 333 A C 0.735 178.376 177.584 0.095 0.000 1.153 333 A CA -0.057 52.005 52.037 0.042 0.000 0.756 333 A CB -0.414 18.603 19.000 0.028 0.000 0.813 333 A HN 0.658 nan 8.150 nan 0.000 0.471 334 W N 2.754 123.987 121.300 -0.111 0.000 2.210 334 W HA 0.277 4.760 4.660 -0.294 0.000 0.330 334 W C 0.220 176.643 176.519 -0.161 0.000 1.334 334 W CA -0.314 56.945 57.345 -0.142 0.000 1.227 334 W CB 0.616 29.970 29.460 -0.176 0.000 1.178 334 W HN 0.403 nan 8.180 nan 0.000 0.560 335 D N 3.902 124.156 120.400 -0.242 0.000 2.363 335 D HA -0.104 4.353 4.640 -0.305 0.000 0.226 335 D C 0.581 176.388 176.300 -0.822 0.000 1.020 335 D CA 0.178 53.937 54.000 -0.402 0.000 0.892 335 D CB -0.283 40.390 40.800 -0.212 0.000 0.900 335 D HN 0.643 nan 8.370 nan 0.000 0.531 336 R N -0.669 118.744 120.500 -1.812 0.000 3.651 336 R HA -0.124 4.033 4.340 -0.305 0.000 0.292 336 R C -0.790 174.635 176.300 -1.458 0.000 1.161 336 R CA 0.765 55.489 56.100 -2.293 0.000 0.787 336 R CB -1.879 27.660 30.300 -1.269 0.000 1.249 336 R HN 0.316 nan 8.270 nan 0.000 0.476 337 E N 0.175 119.772 120.200 -1.006 0.000 2.212 337 E HA 0.227 4.394 4.350 -0.305 0.000 0.268 337 E C -0.290 176.072 176.600 -0.396 0.000 0.902 337 E CA -0.791 55.320 56.400 -0.481 0.000 0.779 337 E CB 0.697 30.300 29.700 -0.162 0.000 1.172 337 E HN 0.081 nan 8.360 nan 0.000 0.409 338 F N 1.901 121.597 119.950 -0.423 0.000 2.640 338 F HA 0.046 4.393 4.527 -0.300 0.000 0.354 338 F C 1.224 176.529 175.800 -0.825 0.000 1.213 338 F CA -0.343 57.256 58.000 -0.668 0.000 1.314 338 F CB 0.004 38.683 39.000 -0.536 0.000 1.679 338 F HN 0.138 nan 8.300 nan 0.000 0.622 339 T N -3.359 110.977 114.554 -0.364 0.000 2.902 339 T HA 0.179 4.346 4.350 -0.305 0.000 0.280 339 T C 1.349 176.068 174.700 0.030 0.000 0.992 339 T CA -0.790 61.225 62.100 -0.142 0.000 1.015 339 T CB 1.740 70.599 68.868 -0.015 0.000 1.044 339 T HN 0.216 nan 8.240 nan 0.000 0.520 340 S N 1.060 116.828 115.700 0.113 0.000 2.399 340 S HA -0.108 4.179 4.470 -0.305 0.000 0.231 340 S C 1.637 176.289 174.600 0.086 0.000 1.022 340 S CA 1.340 59.622 58.200 0.138 0.000 0.983 340 S CB -0.454 62.791 63.200 0.075 0.000 0.803 340 S HN 0.969 nan 8.310 nan 0.000 0.480 341 D N 0.854 121.286 120.400 0.053 0.000 2.340 341 D HA 0.085 4.542 4.640 -0.305 0.000 0.220 341 D C 0.476 176.782 176.300 0.011 0.000 1.039 341 D CA 0.035 54.050 54.000 0.025 0.000 0.866 341 D CB -0.399 40.413 40.800 0.021 0.000 0.913 341 D HN 0.146 nan 8.370 nan 0.000 0.523 342 S N 0.322 116.029 115.700 0.012 0.000 2.525 342 S HA 0.097 4.384 4.470 -0.305 0.000 0.285 342 S C 0.948 175.472 174.600 -0.127 0.000 1.283 342 S CA -0.468 57.694 58.200 -0.064 0.000 1.072 342 S CB 0.436 63.569 63.200 -0.111 0.000 0.867 342 S HN 0.191 nan 8.310 nan 0.000 0.492 343 R N 3.449 123.844 120.500 -0.174 0.000 2.334 343 R HA 0.229 4.386 4.340 -0.305 0.000 0.216 343 R C 1.526 177.671 176.300 -0.260 0.000 0.905 343 R CA 0.603 56.605 56.100 -0.165 0.000 1.064 343 R CB 0.140 30.378 30.300 -0.103 0.000 1.046 343 R HN 0.633 nan 8.270 nan 0.000 0.508 344 A N 0.586 123.104 122.820 -0.502 0.000 2.167 344 A HA 0.332 4.468 4.320 -0.305 0.000 0.208 344 A C 2.091 179.157 177.584 -0.863 0.000 1.198 344 A CA 0.527 52.173 52.037 -0.652 0.000 0.863 344 A CB 0.133 18.682 19.000 -0.751 0.000 0.904 344 A HN 0.226 nan 8.150 nan 0.000 0.484 345 A N 0.717 122.944 122.820 -0.987 0.000 1.883 345 A HA -0.132 4.005 4.320 -0.305 0.000 0.217 345 A C 2.067 179.655 177.584 0.006 0.000 1.186 345 A CA 1.675 53.354 52.037 -0.596 0.000 0.624 345 A CB -0.736 18.073 19.000 -0.318 0.000 0.822 345 A HN 0.467 nan 8.150 nan 0.000 0.444 346 L N -1.162 120.076 121.223 0.026 0.000 2.042 346 L HA -0.195 3.962 4.340 -0.305 0.000 0.210 346 L C 2.603 179.540 176.870 0.111 0.000 1.076 346 L CA 1.391 56.243 54.840 0.020 0.000 0.749 346 L CB -0.647 41.205 42.059 -0.345 0.000 0.893 346 L HN 0.505 nan 8.230 nan 0.000 0.432 347 L N -0.527 120.724 121.223 0.046 0.000 2.046 347 L HA -0.243 3.914 4.340 -0.305 0.000 0.208 347 L C 2.380 179.354 176.870 0.173 0.000 1.077 347 L CA 1.693 56.593 54.840 0.100 0.000 0.747 347 L CB -0.691 41.385 42.059 0.028 0.000 0.896 347 L HN 0.099 nan 8.230 nan 0.000 0.432 348 F N 0.757 120.726 119.950 0.030 0.000 2.134 348 F HA -0.201 4.142 4.527 -0.307 0.000 0.299 348 F C 2.310 178.325 175.800 0.359 0.000 1.097 348 F CA 2.032 60.142 58.000 0.185 0.000 1.264 348 F CB -0.313 38.766 39.000 0.132 0.000 1.001 348 F HN 0.259 nan 8.300 nan 0.000 0.479 349 E N -0.207 120.164 120.200 0.286 0.000 2.085 349 E HA -0.229 3.938 4.350 -0.305 0.000 0.194 349 E C 2.087 178.838 176.600 0.252 0.000 0.994 349 E CA 1.393 57.954 56.400 0.269 0.000 0.801 349 E CB -0.256 29.699 29.700 0.424 0.000 0.743 349 E HN 0.418 nan 8.360 nan 0.000 0.453 350 E N 0.081 120.423 120.200 0.237 0.000 2.110 350 E HA -0.190 3.977 4.350 -0.305 0.000 0.193 350 E C 1.619 178.300 176.600 0.134 0.000 0.988 350 E CA 0.764 57.279 56.400 0.191 0.000 0.804 350 E CB -0.335 29.482 29.700 0.194 0.000 0.745 350 E HN 0.428 nan 8.360 nan 0.000 0.458 351 W N 1.598 122.866 121.300 -0.053 0.000 2.381 351 W HA -0.072 4.400 4.660 -0.313 0.000 0.301 351 W C 2.337 178.807 176.519 -0.081 0.000 1.205 351 W CA 2.150 59.441 57.345 -0.090 0.000 1.285 351 W CB -0.400 28.961 29.460 -0.164 0.000 1.133 351 W HN 0.027 nan 8.180 nan 0.000 0.521 352 A N 0.837 123.533 122.820 -0.207 0.000 1.972 352 A HA -0.178 3.959 4.320 -0.305 0.000 0.219 352 A C 1.997 179.594 177.584 0.022 0.000 1.169 352 A CA 1.686 53.599 52.037 -0.207 0.000 0.635 352 A CB -0.734 18.219 19.000 -0.078 0.000 0.810 352 A HN 0.418 nan 8.150 nan 0.000 0.446 353 R N -0.681 119.867 120.500 0.079 0.000 2.120 353 R HA -0.063 4.094 4.340 -0.305 0.000 0.234 353 R C 1.837 178.004 176.300 -0.221 0.000 1.123 353 R CA 1.451 57.458 56.100 -0.154 0.000 0.975 353 R CB -0.389 29.832 30.300 -0.132 0.000 0.866 353 R HN 0.541 nan 8.270 nan 0.000 0.446 354 L N -1.320 119.760 121.223 -0.238 0.000 2.145 354 L HA -0.034 4.122 4.340 -0.305 0.000 0.201 354 L C 2.185 178.859 176.870 -0.327 0.000 1.075 354 L CA 0.570 55.256 54.840 -0.257 0.000 0.773 354 L CB -0.429 41.497 42.059 -0.222 0.000 0.936 354 L HN 0.065 nan 8.230 nan 0.000 0.451 355 F N 1.284 120.799 119.950 -0.725 0.000 2.134 355 F HA -0.142 4.202 4.527 -0.304 0.000 0.299 355 F C 1.932 177.443 175.800 -0.481 0.000 1.097 355 F CA 1.442 58.975 58.000 -0.779 0.000 1.264 355 F CB 0.039 38.121 39.000 -1.531 0.000 1.001 355 F HN -0.027 nan 8.300 nan 0.000 0.479 356 A N -0.275 122.353 122.820 -0.320 0.000 2.589 356 A HA 0.590 4.727 4.320 -0.305 0.000 0.283 356 A C 0.777 178.263 177.584 -0.164 0.000 1.187 356 A CA 0.355 52.259 52.037 -0.222 0.000 0.957 356 A CB -0.872 18.181 19.000 0.088 0.000 1.175 356 A HN 0.938 nan 8.150 nan 0.000 0.532 357 G N -0.775 107.886 108.800 -0.230 0.000 2.730 357 G HA2 -0.148 3.629 3.960 -0.305 0.000 0.686 357 G HA3 -0.148 3.629 3.960 -0.305 0.000 0.686 357 G C 0.246 174.906 174.900 -0.399 0.000 1.343 357 G CA -0.126 44.825 45.100 -0.250 0.000 0.826 357 G HN 0.098 nan 8.290 nan 0.000 0.582 358 Q N 0.324 119.890 119.800 -0.389 0.000 2.234 358 Q HA -0.140 4.017 4.340 -0.305 0.000 0.206 358 Q C 2.227 177.750 176.000 -0.796 0.000 0.980 358 Q CA 2.246 57.730 55.803 -0.532 0.000 0.869 358 Q CB -0.256 28.288 28.738 -0.322 0.000 0.912 358 Q HN 0.867 nan 8.270 nan 0.000 0.436 359 N N -1.179 117.195 118.700 -0.543 0.000 2.270 359 N HA -0.001 4.556 4.740 -0.305 0.000 0.198 359 N C -0.185 175.190 175.510 -0.225 0.000 1.117 359 N CA -0.128 52.681 53.050 -0.402 0.000 0.845 359 N CB -0.503 37.888 38.487 -0.160 0.000 0.980 359 N HN 0.104 nan 8.380 nan 0.000 0.486 360 F N -1.879 118.029 119.950 -0.071 0.000 3.048 360 F HA -0.330 4.015 4.527 -0.304 0.000 0.287 360 F C 1.305 177.144 175.800 0.066 0.000 0.796 360 F CA 0.444 58.445 58.000 0.001 0.000 1.111 360 F CB -1.736 37.287 39.000 0.039 0.000 1.320 360 F HN 0.335 nan 8.300 nan 0.000 0.430 361 A N 0.246 123.145 122.820 0.132 0.000 2.308 361 A HA 0.527 4.664 4.320 -0.305 0.000 0.217 361 A C 1.601 179.247 177.584 0.102 0.000 1.216 361 A CA 0.504 52.615 52.037 0.125 0.000 0.864 361 A CB -0.439 18.601 19.000 0.067 0.000 0.902 361 A HN 0.494 nan 8.150 nan 0.000 0.499 362 G N -0.783 108.049 108.800 0.053 0.000 2.432 362 G HA2 0.344 4.121 3.960 -0.305 0.000 0.239 362 G HA3 0.344 4.121 3.960 -0.305 0.000 0.239 362 G C 0.404 175.364 174.900 0.101 0.000 1.291 362 G CA -0.162 44.940 45.100 0.003 0.000 0.863 362 G HN 0.243 nan 8.290 nan 0.000 0.560 363 Q N 1.432 121.292 119.800 0.101 0.000 2.316 363 Q HA 0.122 4.279 4.340 -0.305 0.000 0.235 363 Q C 2.566 178.665 176.000 0.165 0.000 0.863 363 Q CA 0.576 56.532 55.803 0.256 0.000 0.939 363 Q CB 0.442 29.297 28.738 0.195 0.000 1.108 363 Q HN 0.666 nan 8.270 nan 0.000 0.522 364 A N 0.945 123.752 122.820 -0.021 0.000 2.024 364 A HA -0.086 4.051 4.320 -0.305 0.000 0.220 364 A C 2.086 179.570 177.584 -0.167 0.000 1.164 364 A CA 1.797 53.792 52.037 -0.069 0.000 0.643 364 A CB -0.758 18.183 19.000 -0.099 0.000 0.806 364 A HN 0.385 nan 8.150 nan 0.000 0.451 365 G N -1.678 106.828 108.800 -0.490 0.000 2.650 365 G HA2 0.243 4.020 3.960 -0.305 0.000 0.214 365 G HA3 0.243 4.020 3.960 -0.305 0.000 0.214 365 G C 0.365 175.085 174.900 -0.300 0.000 1.136 365 G CA -0.249 44.413 45.100 -0.730 0.000 0.789 365 G HN 0.357 nan 8.290 nan 0.000 0.536 366 F N -0.134 119.839 119.950 0.039 0.000 2.418 366 F HA 0.485 4.817 4.527 -0.325 0.000 0.341 366 F C 1.530 177.426 175.800 0.159 0.000 1.120 366 F CA -0.254 57.882 58.000 0.225 0.000 1.232 366 F CB 1.552 40.684 39.000 0.220 0.000 1.175 366 F HN 0.029 nan 8.300 nan 0.000 0.569 367 A N 1.138 124.172 122.820 0.356 0.000 1.898 367 A HA 0.044 4.181 4.320 -0.305 0.000 0.214 367 A C 0.889 178.618 177.584 0.241 0.000 1.183 367 A CA 0.928 53.111 52.037 0.244 0.000 0.622 367 A CB -0.465 18.658 19.000 0.204 0.000 0.824 367 A HN 0.633 nan 8.150 nan 0.000 0.444 368 T N 2.224 116.952 114.554 0.289 0.000 2.772 368 T HA 0.512 4.679 4.350 -0.305 0.000 0.288 368 T C -2.817 172.007 174.700 0.208 0.000 0.994 368 T CA -1.131 61.107 62.100 0.230 0.000 0.951 368 T CB 1.641 70.661 68.868 0.253 0.000 0.933 368 T HN 0.052 nan 8.240 nan 0.000 0.447 369 P HA 0.135 nan 4.420 nan 0.000 0.272 369 P C -0.596 176.790 177.300 0.144 0.000 1.230 369 P CA -0.739 62.462 63.100 0.167 0.000 0.788 369 P CB 0.572 32.362 31.700 0.150 0.000 0.949 370 W N 2.319 123.617 121.300 -0.003 0.000 2.158 370 W HA 0.345 4.816 4.660 -0.314 0.000 0.339 370 W C -0.100 176.418 176.519 -0.002 0.000 1.294 370 W CA 1.021 58.352 57.345 -0.022 0.000 1.231 370 W CB 0.434 29.878 29.460 -0.027 0.000 1.143 370 W HN 0.226 nan 8.180 nan 0.000 0.571 371 S N 5.404 120.506 115.700 -0.996 0.000 2.548 371 S HA 0.212 4.499 4.470 -0.305 0.000 0.276 371 S C -0.062 173.696 174.600 -1.403 0.000 1.129 371 S CA -0.846 56.814 58.200 -0.900 0.000 0.931 371 S CB 1.169 64.121 63.200 -0.412 0.000 1.068 371 S HN 0.648 nan 8.310 nan 0.000 0.480 372 L N 3.419 123.985 121.223 -1.096 0.000 2.353 372 L HA 0.133 4.289 4.340 -0.305 0.000 0.220 372 L C 1.362 178.040 176.870 -0.320 0.000 1.133 372 L CA 1.919 56.344 54.840 -0.691 0.000 0.798 372 L CB -0.376 41.547 42.059 -0.226 0.000 0.922 372 L HN 0.730 nan 8.230 nan 0.000 0.445 373 D N -0.118 120.107 120.400 -0.292 0.000 2.317 373 D HA -0.049 4.408 4.640 -0.305 0.000 0.211 373 D C 0.633 176.877 176.300 -0.094 0.000 0.966 373 D CA 0.848 54.769 54.000 -0.130 0.000 0.876 373 D CB 0.192 40.924 40.800 -0.113 0.000 0.927 373 D HN 0.366 nan 8.370 nan 0.000 0.519 374 K N 0.291 120.559 120.400 -0.221 0.000 3.146 374 K HA 0.174 4.311 4.320 -0.305 0.000 0.168 374 K C -2.153 174.283 176.600 -0.272 0.000 1.075 374 K CA -1.120 55.068 56.287 -0.166 0.000 0.843 374 K CB 2.179 34.588 32.500 -0.153 0.000 1.002 374 K HN -0.166 nan 8.250 nan 0.000 0.597 375 P HA -0.179 nan 4.420 nan 0.000 0.221 375 P C 0.962 178.324 177.300 0.103 0.000 1.145 375 P CA 0.997 64.044 63.100 -0.088 0.000 0.795 375 P CB 0.135 31.859 31.700 0.039 0.000 0.775 376 V N -4.697 115.185 119.914 -0.054 0.000 3.253 376 V HA 0.338 4.275 4.120 -0.305 0.000 0.320 376 V C 0.945 177.037 176.094 -0.003 0.000 1.442 376 V CA 0.627 62.917 62.300 -0.016 0.000 1.097 376 V CB -0.479 31.249 31.823 -0.158 0.000 1.008 376 V HN 0.142 nan 8.190 nan 0.000 0.463 377 S N -0.540 115.156 115.700 -0.008 0.000 2.847 377 S HA 0.341 4.628 4.470 -0.305 0.000 0.254 377 S C 0.595 175.215 174.600 0.034 0.000 1.039 377 S CA 0.410 58.609 58.200 -0.001 0.000 1.113 377 S CB 0.249 63.420 63.200 -0.049 0.000 1.092 377 S HN 0.886 nan 8.310 nan 0.000 0.620 378 T N 0.017 114.605 114.554 0.057 0.000 2.906 378 T HA 0.704 4.871 4.350 -0.305 0.000 0.295 378 T C -3.461 171.381 174.700 0.237 0.000 1.075 378 T CA -2.136 60.014 62.100 0.082 0.000 1.005 378 T CB 2.074 70.909 68.868 -0.056 0.000 1.136 378 T HN -0.053 nan 8.240 nan 0.000 0.498 379 P HA 0.338 nan 4.420 nan 0.000 0.274 379 P C -1.501 175.751 177.300 -0.080 0.000 1.256 379 P CA -0.259 62.758 63.100 -0.138 0.000 0.795 379 P CB 0.519 31.885 31.700 -0.557 0.000 1.038 380 Y N -1.067 119.249 120.300 0.027 0.000 2.581 380 Y HA 0.482 5.048 4.550 0.025 0.000 0.337 380 Y C -0.258 175.880 175.900 0.397 0.000 1.108 380 Y CA 0.620 58.856 58.100 0.226 0.000 1.033 380 Y CB 1.414 39.950 38.460 0.126 0.000 1.318 380 Y HN 0.997 nan 8.280 nan 0.000 0.459 381 G N 1.196 109.472 108.800 -0.873 0.000 2.758 381 G HA2 0.010 3.787 3.960 -0.305 0.000 0.686 381 G HA3 0.010 3.787 3.960 -0.305 0.000 0.686 381 G C -2.137 172.793 174.900 0.051 0.000 1.389 381 G CA -0.575 44.216 45.100 -0.516 0.000 0.845 381 G HN 1.150 nan 8.290 nan 0.000 0.572 382 V N 2.162 122.101 119.914 0.042 0.000 2.357 382 V HA 0.429 4.366 4.120 -0.305 0.000 0.284 382 V C 1.689 177.888 176.094 0.175 0.000 1.018 382 V CA 0.336 62.739 62.300 0.173 0.000 0.841 382 V CB 1.238 33.119 31.823 0.097 0.000 0.991 382 V HN 0.978 nan 8.190 nan 0.000 0.437 383 R N 2.876 123.500 120.500 0.207 0.000 2.081 383 R HA -0.088 4.069 4.340 -0.305 0.000 0.235 383 R C 0.491 176.864 176.300 0.121 0.000 1.131 383 R CA 1.591 57.780 56.100 0.149 0.000 0.960 383 R CB 0.295 30.669 30.300 0.124 0.000 0.856 383 R HN 0.731 nan 8.270 nan 0.000 0.436 384 D N -0.808 119.673 120.400 0.136 0.000 2.412 384 D HA 0.200 4.657 4.640 -0.305 0.000 0.276 384 D C -2.108 174.271 176.300 0.130 0.000 1.196 384 D CA -2.305 51.761 54.000 0.110 0.000 0.905 384 D CB 1.667 42.520 40.800 0.088 0.000 1.081 384 D HN -0.045 nan 8.370 nan 0.000 0.502 385 P HA -0.175 nan 4.420 nan 0.000 0.215 385 P C 1.393 178.749 177.300 0.094 0.000 1.157 385 P CA 1.231 64.388 63.100 0.096 0.000 0.874 385 P CB 0.423 32.159 31.700 0.060 0.000 0.790 386 K N -0.264 120.182 120.400 0.076 0.000 2.032 386 K HA -0.180 3.957 4.320 -0.305 0.000 0.209 386 K C 1.988 178.638 176.600 0.083 0.000 1.048 386 K CA 1.784 58.111 56.287 0.067 0.000 0.927 386 K CB -0.680 31.852 32.500 0.052 0.000 0.712 386 K HN -0.014 nan 8.250 nan 0.000 0.441 387 A N 0.817 123.693 122.820 0.093 0.000 1.930 387 A HA -0.033 4.104 4.320 -0.305 0.000 0.217 387 A C 2.298 179.972 177.584 0.151 0.000 1.175 387 A CA 1.656 53.750 52.037 0.096 0.000 0.627 387 A CB -0.705 18.341 19.000 0.077 0.000 0.815 387 A HN 0.496 nan 8.150 nan 0.000 0.443 388 A N -0.594 122.355 122.820 0.215 0.000 1.972 388 A HA 0.026 4.163 4.320 -0.305 0.000 0.219 388 A C 2.166 179.967 177.584 0.362 0.000 1.169 388 A CA 1.702 53.965 52.037 0.376 0.000 0.635 388 A CB -0.717 18.535 19.000 0.421 0.000 0.810 388 A HN 0.359 nan 8.150 nan 0.000 0.446 389 V N 0.325 120.352 119.914 0.188 0.000 2.453 389 V HA -0.183 3.754 4.120 -0.305 0.000 0.247 389 V C 2.043 178.216 176.094 0.130 0.000 1.048 389 V CA 2.088 64.460 62.300 0.121 0.000 1.049 389 V CB -0.648 31.211 31.823 0.061 0.000 0.672 389 V HN 0.473 nan 8.190 nan 0.000 0.457 390 D N -0.285 120.187 120.400 0.120 0.000 2.178 390 D HA -0.164 4.293 4.640 -0.305 0.000 0.202 390 D C 2.328 178.699 176.300 0.118 0.000 0.974 390 D CA 1.091 55.148 54.000 0.094 0.000 0.841 390 D CB -0.111 40.730 40.800 0.069 0.000 0.953 390 D HN 0.515 nan 8.370 nan 0.000 0.478 391 Q N -0.208 119.694 119.800 0.169 0.000 2.119 391 Q HA -0.111 4.046 4.340 -0.305 0.000 0.201 391 Q C 2.137 178.308 176.000 0.285 0.000 0.972 391 Q CA 0.495 56.397 55.803 0.166 0.000 0.847 391 Q CB -0.031 28.773 28.738 0.109 0.000 0.903 391 Q HN 0.177 nan 8.270 nan 0.000 0.433 392 L N 0.993 122.451 121.223 0.392 0.000 2.093 392 L HA -0.160 3.997 4.340 -0.305 0.000 0.208 392 L C 2.332 179.301 176.870 0.164 0.000 1.085 392 L CA 1.700 56.733 54.840 0.322 0.000 0.755 392 L CB -0.412 41.708 42.059 0.103 0.000 0.904 392 L HN 0.049 nan 8.230 nan 0.000 0.435 393 R N -1.241 119.330 120.500 0.119 0.000 2.083 393 R HA -0.163 3.994 4.340 -0.305 0.000 0.237 393 R C 1.956 178.298 176.300 0.071 0.000 1.137 393 R CA 2.134 58.279 56.100 0.075 0.000 0.951 393 R CB -0.506 29.830 30.300 0.059 0.000 0.851 393 R HN 0.395 nan 8.270 nan 0.000 0.434 394 T N 0.545 115.145 114.554 0.077 0.000 2.821 394 T HA -0.044 4.123 4.350 -0.305 0.000 0.267 394 T C 1.805 176.544 174.700 0.065 0.000 1.046 394 T CA 1.184 63.316 62.100 0.055 0.000 1.139 394 T CB -0.239 68.651 68.868 0.038 0.000 0.871 394 T HN 0.473 nan 8.240 nan 0.000 0.454 395 A N 1.126 124.010 122.820 0.106 0.000 1.972 395 A HA -0.009 4.128 4.320 -0.305 0.000 0.219 395 A C 2.250 179.898 177.584 0.107 0.000 1.169 395 A CA 1.079 53.190 52.037 0.124 0.000 0.635 395 A CB -0.759 18.372 19.000 0.219 0.000 0.810 395 A HN 0.526 nan 8.150 nan 0.000 0.446 396 I N -0.375 120.251 120.570 0.093 0.000 2.226 396 I HA -0.284 3.703 4.170 -0.305 0.000 0.245 396 I C 2.960 179.110 176.117 0.054 0.000 1.100 396 I CA 1.053 62.394 61.300 0.069 0.000 1.374 396 I CB -0.297 37.734 38.000 0.052 0.000 1.057 396 I HN 0.367 nan 8.210 nan 0.000 0.413 397 A N 0.970 123.816 122.820 0.043 0.000 1.898 397 A HA -0.196 3.941 4.320 -0.305 0.000 0.216 397 A C 2.035 179.629 177.584 0.018 0.000 1.181 397 A CA 1.824 53.876 52.037 0.025 0.000 0.620 397 A CB -0.613 18.398 19.000 0.018 0.000 0.819 397 A HN 0.403 nan 8.150 nan 0.000 0.442 398 N N -0.140 118.575 118.700 0.024 0.000 2.188 398 N HA -0.092 4.465 4.740 -0.305 0.000 0.184 398 N C 1.682 177.196 175.510 0.006 0.000 1.018 398 N CA 1.845 54.898 53.050 0.005 0.000 0.858 398 N CB -0.866 37.630 38.487 0.015 0.000 0.989 398 N HN 0.488 nan 8.380 nan 0.000 0.426 399 T N 1.469 116.067 114.554 0.073 0.000 2.746 399 T HA -0.053 4.113 4.350 -0.305 0.000 0.267 399 T C 1.847 176.611 174.700 0.106 0.000 1.039 399 T CA 1.119 63.312 62.100 0.155 0.000 1.142 399 T CB 0.000 68.978 68.868 0.182 0.000 0.866 399 T HN 0.306 nan 8.240 nan 0.000 0.444 400 K N 0.705 121.139 120.400 0.056 0.000 2.057 400 K HA -0.007 4.130 4.320 -0.305 0.000 0.206 400 K C 2.550 179.142 176.600 -0.014 0.000 1.050 400 K CA 0.883 57.189 56.287 0.032 0.000 0.935 400 K CB -0.132 32.381 32.500 0.021 0.000 0.715 400 K HN 0.151 nan 8.250 nan 0.000 0.439 401 R N 1.688 122.165 120.500 -0.039 0.000 2.091 401 R HA -0.150 4.007 4.340 -0.305 0.000 0.238 401 R C 1.831 178.048 176.300 -0.140 0.000 1.136 401 R CA 1.710 57.768 56.100 -0.070 0.000 0.959 401 R CB 0.103 30.366 30.300 -0.063 0.000 0.856 401 R HN 0.079 nan 8.270 nan 0.000 0.437 402 K N -1.203 119.048 120.400 -0.249 0.000 2.044 402 K HA -0.098 4.038 4.320 -0.305 0.000 0.204 402 K C 1.412 177.639 176.600 -0.620 0.000 1.049 402 K CA 1.385 57.353 56.287 -0.532 0.000 0.945 402 K CB 0.122 32.083 32.500 -0.899 0.000 0.724 402 K HN 0.305 nan 8.250 nan 0.000 0.440 403 Y N -1.250 119.038 120.300 -0.020 0.000 2.445 403 Y HA 0.230 4.597 4.550 -0.305 0.000 0.247 403 Y C 1.333 177.214 175.900 -0.031 0.000 1.129 403 Y CA -0.006 58.073 58.100 -0.035 0.000 1.251 403 Y CB 1.423 39.857 38.460 -0.044 0.000 1.176 403 Y HN 0.242 nan 8.280 nan 0.000 0.522 404 G N 0.507 109.347 108.800 0.068 0.000 2.217 404 G HA2 -0.072 3.705 3.960 -0.305 0.000 0.246 404 G HA3 -0.072 3.705 3.960 -0.305 0.000 0.246 404 G C 0.149 175.075 174.900 0.044 0.000 0.990 404 G CA 0.007 45.132 45.100 0.040 0.000 0.627 404 G HN 0.816 nan 8.290 nan 0.000 0.522 405 A N -1.114 121.748 122.820 0.070 0.000 2.586 405 A HA 0.730 4.867 4.320 -0.305 0.000 0.291 405 A C 0.647 178.267 177.584 0.059 0.000 1.062 405 A CA 0.015 52.080 52.037 0.046 0.000 0.666 405 A CB -0.008 19.007 19.000 0.024 0.000 1.281 405 A HN 1.440 nan 8.150 nan 0.000 0.421 406 I N -2.134 118.456 120.570 0.033 0.000 3.793 406 I HA 0.253 4.240 4.170 -0.305 0.000 0.315 406 I C 0.328 176.439 176.117 -0.011 0.000 1.275 406 I CA 0.972 62.289 61.300 0.028 0.000 1.214 406 I CB 0.074 38.086 38.000 0.020 0.000 1.018 406 I HN 0.434 nan 8.210 nan 0.000 0.439 407 D N 1.318 121.705 120.400 -0.022 0.000 2.819 407 D HA 0.113 4.570 4.640 -0.305 0.000 0.326 407 D C 0.295 176.559 176.300 -0.059 0.000 1.408 407 D CA -0.392 53.575 54.000 -0.054 0.000 0.811 407 D CB -0.150 40.622 40.800 -0.046 0.000 1.148 407 D HN 0.320 nan 8.370 nan 0.000 0.457 408 R N 1.130 121.592 120.500 -0.062 0.000 2.438 408 R HA 0.342 4.498 4.340 -0.305 0.000 0.287 408 R C -2.404 173.829 176.300 -0.112 0.000 1.077 408 R CA -1.241 54.814 56.100 -0.076 0.000 1.034 408 R CB 0.453 30.714 30.300 -0.066 0.000 0.993 408 R HN -0.133 nan 8.270 nan 0.000 0.459 409 P HA -0.073 nan 4.420 nan 0.000 0.264 409 P C -0.183 177.055 177.300 -0.103 0.000 1.193 409 P CA 0.169 63.226 63.100 -0.073 0.000 0.763 409 P CB 0.241 31.907 31.700 -0.056 0.000 0.810 410 F N 4.264 124.072 119.950 -0.236 0.000 2.063 410 F HA -0.201 4.146 4.527 -0.300 0.000 0.298 410 F C 2.142 177.733 175.800 -0.347 0.000 1.109 410 F CA 2.626 60.443 58.000 -0.306 0.000 1.212 410 F CB -0.849 38.028 39.000 -0.205 0.000 0.973 410 F HN 0.394 nan 8.300 nan 0.000 0.480 411 G N -1.551 107.183 108.800 -0.109 0.000 2.679 411 G HA2 -0.210 3.567 3.960 -0.305 0.000 0.212 411 G HA3 -0.210 3.567 3.960 -0.305 0.000 0.212 411 G C 1.059 175.822 174.900 -0.228 0.000 1.137 411 G CA 0.824 45.801 45.100 -0.205 0.000 0.787 411 G HN 0.497 nan 8.290 nan 0.000 0.534 412 D N -0.156 120.117 120.400 -0.213 0.000 2.216 412 D HA 0.208 4.665 4.640 -0.305 0.000 0.208 412 D C 2.544 178.718 176.300 -0.210 0.000 0.960 412 D CA 0.975 54.876 54.000 -0.165 0.000 0.861 412 D CB 0.017 40.750 40.800 -0.113 0.000 0.985 412 D HN 0.148 nan 8.370 nan 0.000 0.493 413 A N -0.343 122.284 122.820 -0.322 0.000 1.903 413 A HA 0.179 4.316 4.320 -0.305 0.000 0.213 413 A C 1.215 178.520 177.584 -0.466 0.000 1.185 413 A CA 0.252 52.095 52.037 -0.323 0.000 0.628 413 A CB -0.002 18.735 19.000 -0.438 0.000 0.830 413 A HN 0.175 nan 8.150 nan 0.000 0.446 414 S N 1.827 117.031 115.700 -0.827 0.000 2.400 414 S HA 0.528 4.815 4.470 -0.305 0.000 0.295 414 S C -0.000 174.174 174.600 -0.709 0.000 1.113 414 S CA -0.543 56.905 58.200 -1.253 0.000 1.064 414 S CB 0.310 62.028 63.200 -2.470 0.000 0.990 414 S HN 0.397 nan 8.310 nan 0.000 0.502 418 L N 6.253 127.540 121.223 0.106 0.000 2.439 418 L HA 0.592 4.749 4.340 -0.305 0.000 0.270 418 L C 0.181 177.139 176.870 0.145 0.000 0.972 418 L CA -0.555 54.354 54.840 0.116 0.000 0.836 418 L CB 1.716 43.703 42.059 -0.121 0.000 1.255 418 L HN 0.729 nan 8.230 nan 0.000 0.404 419 N N 2.158 120.990 118.700 0.219 0.000 1.222 419 N HA -0.280 4.277 4.740 -0.305 0.000 0.134 419 N C 0.470 176.039 175.510 0.098 0.000 0.787 419 N CA 1.966 55.111 53.050 0.158 0.000 0.929 419 N CB -0.552 38.036 38.487 0.167 0.000 1.170 419 N HN 0.968 nan 8.380 nan 0.000 0.541 420 D N 1.204 121.648 120.400 0.074 0.000 2.325 420 D HA 0.138 4.595 4.640 -0.305 0.000 0.225 420 D C 0.032 176.358 176.300 0.043 0.000 1.096 420 D CA 0.161 54.192 54.000 0.051 0.000 0.844 420 D CB -0.194 40.629 40.800 0.039 0.000 0.925 420 D HN 0.211 nan 8.370 nan 0.000 0.513 421 V N 1.634 121.577 119.914 0.048 0.000 2.407 421 V HA 0.277 4.214 4.120 -0.305 0.000 0.278 421 V C -0.002 176.115 176.094 0.039 0.000 1.037 421 V CA -0.816 61.505 62.300 0.035 0.000 0.900 421 V CB 1.217 33.054 31.823 0.025 0.000 0.983 421 V HN 0.156 nan 8.190 nan 0.000 0.459 422 N N 4.330 123.048 118.700 0.030 0.000 2.540 422 N HA 0.521 5.078 4.740 -0.305 0.000 0.275 422 N C -1.099 174.420 175.510 0.016 0.000 1.053 422 N CA -0.188 52.879 53.050 0.029 0.000 0.876 422 N CB 2.083 40.584 38.487 0.023 0.000 1.284 422 N HN 0.557 nan 8.380 nan 0.000 0.518 423 V N 1.526 121.450 119.914 0.017 0.000 3.001 423 V HA 0.793 4.730 4.120 -0.305 0.000 0.314 423 V C -2.490 173.598 176.094 -0.010 0.000 1.099 423 V CA -2.120 60.181 62.300 0.003 0.000 0.989 423 V CB 1.855 33.681 31.823 0.004 0.000 1.040 423 V HN 0.428 nan 8.190 nan 0.000 0.434 424 P HA 0.282 nan 4.420 nan 0.000 0.268 424 P C 0.121 177.396 177.300 -0.041 0.000 1.204 424 P CA 0.620 63.691 63.100 -0.048 0.000 0.768 424 P CB 1.085 32.766 31.700 -0.031 0.000 0.842 425 G N 1.218 109.963 108.800 -0.092 0.000 2.462 425 G HA2 0.658 4.435 3.960 -0.305 0.000 0.319 425 G HA3 0.658 4.435 3.960 -0.305 0.000 0.319 425 G C -1.153 173.793 174.900 0.077 0.000 1.171 425 G CA -0.474 44.618 45.100 -0.013 0.000 0.920 425 G HN 0.740 nan 8.290 nan 0.000 0.499 426 A N -0.974 121.979 122.820 0.222 0.000 2.602 426 A HA 1.029 5.166 4.320 -0.305 0.000 0.290 426 A C 0.199 178.095 177.584 0.520 0.000 1.114 426 A CA 0.396 52.664 52.037 0.384 0.000 0.683 426 A CB 0.849 20.012 19.000 0.272 0.000 1.281 426 A HN 2.831 nan 8.150 nan 0.000 0.416 427 A N -1.668 121.446 122.820 0.491 0.000 3.938 427 A HA 0.454 4.590 4.320 -0.305 0.000 0.617 427 A C 1.044 178.951 177.584 0.538 0.000 0.745 427 A CA 1.272 53.638 52.037 0.547 0.000 0.311 427 A CB -1.795 17.614 19.000 0.682 0.000 3.551 427 A HN 3.098 nan 8.150 nan 0.000 0.519 428 G N -1.626 107.292 108.800 0.197 0.000 2.696 428 G HA2 0.590 4.367 3.960 -0.305 0.000 0.151 428 G HA3 0.590 4.367 3.960 -0.305 0.000 0.151 428 G C -0.587 174.165 174.900 -0.246 0.000 1.197 428 G CA -0.013 45.062 45.100 -0.041 0.000 1.053 428 G HN 1.431 nan 8.290 nan 0.000 0.546 429 Y N 2.026 122.259 120.300 -0.112 0.000 2.650 429 Y HA 0.287 4.652 4.550 -0.307 0.000 0.331 429 Y C 1.877 177.773 175.900 -0.007 0.000 1.165 429 Y CA 0.553 58.623 58.100 -0.049 0.000 1.473 429 Y CB 1.234 39.651 38.460 -0.071 0.000 1.224 429 Y HN 0.541 nan 8.280 nan 0.000 0.533 430 G N 2.646 111.548 108.800 0.170 0.000 2.422 430 G HA2 -0.292 3.485 3.960 -0.305 0.000 0.218 430 G HA3 -0.292 3.485 3.960 -0.305 0.000 0.218 430 G C 1.386 176.407 174.900 0.201 0.000 1.146 430 G CA 0.691 45.878 45.100 0.144 0.000 0.769 430 G HN 0.565 nan 8.290 nan 0.000 0.547 431 N N 0.196 119.039 118.700 0.238 0.000 2.573 431 N HA 0.039 4.596 4.740 -0.305 0.000 0.187 431 N C 1.790 177.454 175.510 0.256 0.000 1.107 431 N CA 0.328 53.530 53.050 0.253 0.000 0.918 431 N CB -0.010 38.664 38.487 0.313 0.000 0.966 431 N HN 0.317 nan 8.380 nan 0.000 0.448 432 L N -1.486 119.867 121.223 0.215 0.000 2.607 432 L HA 0.234 4.391 4.340 -0.305 0.000 0.228 432 L C 1.253 178.344 176.870 0.368 0.000 1.123 432 L CA 0.268 55.279 54.840 0.285 0.000 0.890 432 L CB 0.172 42.397 42.059 0.277 0.000 1.103 432 L HN 0.220 nan 8.230 nan 0.000 0.468 433 G N -0.819 108.168 108.800 0.312 0.000 2.229 433 G HA2 -0.241 3.536 3.960 -0.305 0.000 0.189 433 G HA3 -0.241 3.536 3.960 -0.305 0.000 0.189 433 G C 0.397 175.484 174.900 0.313 0.000 1.000 433 G CA 0.111 45.383 45.100 0.287 0.000 0.663 433 G HN 0.190 nan 8.290 nan 0.000 0.493 434 S N 0.147 116.061 115.700 0.358 0.000 2.498 434 S HA 0.464 4.751 4.470 -0.305 0.000 0.281 434 S C 1.121 175.878 174.600 0.260 0.000 1.265 434 S CA 0.201 58.614 58.200 0.354 0.000 1.071 434 S CB 0.224 63.603 63.200 0.300 0.000 0.894 434 S HN 0.582 nan 8.310 nan 0.000 0.491 435 F N 5.450 125.479 119.950 0.131 0.000 2.118 435 F HA 0.213 4.556 4.527 -0.307 0.000 0.293 435 F C 1.465 177.274 175.800 0.016 0.000 1.102 435 F CA 0.911 58.944 58.000 0.055 0.000 1.247 435 F CB -0.024 38.988 39.000 0.021 0.000 1.017 435 F HN 0.517 nan 8.300 nan 0.000 0.475 436 R N 1.376 121.940 120.500 0.107 0.000 2.347 436 R HA 0.369 4.526 4.340 -0.305 0.000 0.304 436 R C -1.490 174.715 176.300 -0.158 0.000 1.072 436 R CA -0.133 55.942 56.100 -0.041 0.000 0.980 436 R CB 0.591 30.975 30.300 0.140 0.000 0.986 436 R HN 0.029 nan 8.270 nan 0.000 0.448 437 V N 6.109 125.708 119.914 -0.526 0.000 2.513 437 V HA 0.476 4.412 4.120 -0.305 0.000 0.299 437 V C -0.818 174.650 176.094 -1.044 0.000 1.035 437 V CA -0.539 61.358 62.300 -0.673 0.000 0.889 437 V CB 1.593 32.898 31.823 -0.862 0.000 0.988 437 V HN 0.642 nan 8.190 nan 0.000 0.440 438 F N 1.303 120.914 119.950 -0.565 0.000 2.828 438 F HA 0.305 4.648 4.527 -0.307 0.000 0.355 438 F C 0.542 175.652 175.800 -1.150 0.000 1.200 438 F CA -0.460 56.962 58.000 -0.963 0.000 1.062 438 F CB 1.897 40.146 39.000 -1.252 0.000 1.351 438 F HN 0.340 nan 8.300 nan 0.000 0.504 439 T N 2.404 116.576 114.554 -0.636 0.000 3.185 439 T HA 0.035 4.202 4.350 -0.305 0.000 0.287 439 T C -0.205 174.254 174.700 -0.403 0.000 1.051 439 T CA -0.289 61.593 62.100 -0.364 0.000 1.051 439 T CB -0.517 68.349 68.868 -0.004 0.000 1.034 439 T HN 0.303 nan 8.240 nan 0.000 0.685 440 W N 3.054 124.143 121.300 -0.352 0.000 2.223 440 W HA 0.250 4.725 4.660 -0.308 0.000 0.334 440 W C 1.319 177.869 176.519 0.052 0.000 1.334 440 W CA -0.750 56.487 57.345 -0.180 0.000 1.246 440 W CB 0.207 29.513 29.460 -0.256 0.000 1.184 440 W HN 0.549 nan 8.180 nan 0.000 0.563 441 S N 1.447 117.296 115.700 0.247 0.000 2.641 441 S HA 0.170 4.457 4.470 -0.305 0.000 0.261 441 S C -0.050 174.672 174.600 0.204 0.000 1.257 441 S CA -0.926 57.382 58.200 0.180 0.000 0.983 441 S CB 0.662 63.931 63.200 0.114 0.000 0.990 441 S HN 0.413 nan 8.310 nan 0.000 0.572 442 D N 2.320 122.798 120.400 0.130 0.000 2.362 442 D HA 0.398 4.855 4.640 -0.305 0.000 0.242 442 D C -2.273 174.069 176.300 0.069 0.000 1.132 442 D CA -1.033 53.022 54.000 0.091 0.000 0.907 442 D CB 0.287 41.110 40.800 0.037 0.000 1.195 442 D HN 0.354 nan 8.370 nan 0.000 0.429 443 P HA 0.108 nan 4.420 nan 0.000 0.274 443 P C -0.390 176.898 177.300 -0.020 0.000 1.231 443 P CA -0.461 62.640 63.100 0.001 0.000 0.790 443 P CB 0.603 32.226 31.700 -0.128 0.000 0.951 444 D N 0.543 120.941 120.400 -0.003 0.000 2.511 444 D HA 0.005 4.462 4.640 -0.305 0.000 0.276 444 D C 1.108 177.393 176.300 -0.024 0.000 1.220 444 D CA -0.389 53.607 54.000 -0.007 0.000 1.077 444 D CB 0.006 40.812 40.800 0.010 0.000 1.126 444 D HN 0.360 nan 8.370 nan 0.000 0.583 445 E N -0.130 120.059 120.200 -0.018 0.000 2.396 445 E HA -0.235 3.932 4.350 -0.305 0.000 0.200 445 E C 0.226 176.815 176.600 -0.019 0.000 1.023 445 E CA 1.006 57.392 56.400 -0.023 0.000 0.857 445 E CB -0.926 28.765 29.700 -0.015 0.000 0.775 445 E HN 0.621 nan 8.360 nan 0.000 0.525 446 N N -0.060 118.634 118.700 -0.010 0.000 2.236 446 N HA 0.194 4.751 4.740 -0.305 0.000 0.196 446 N C 0.607 176.123 175.510 0.010 0.000 1.114 446 N CA 0.222 53.271 53.050 -0.002 0.000 0.859 446 N CB 0.845 39.333 38.487 0.001 0.000 0.982 446 N HN 0.349 nan 8.380 nan 0.000 0.493 447 G N 0.651 109.454 108.800 0.005 0.000 2.143 447 G HA2 -0.249 3.528 3.960 -0.305 0.000 0.249 447 G HA3 -0.249 3.528 3.960 -0.305 0.000 0.249 447 G C -0.043 174.926 174.900 0.114 0.000 0.981 447 G CA -0.085 45.052 45.100 0.061 0.000 0.665 447 G HN 0.142 nan 8.290 nan 0.000 0.528 448 V N 1.783 121.721 119.914 0.040 0.000 2.509 448 V HA 0.747 4.684 4.120 -0.305 0.000 0.284 448 V C 0.738 176.850 176.094 0.031 0.000 1.047 448 V CA 0.010 62.317 62.300 0.012 0.000 0.952 448 V CB 1.361 33.183 31.823 -0.002 0.000 0.988 448 V HN 0.719 nan 8.190 nan 0.000 0.469 449 R N 2.158 122.663 120.500 0.008 0.000 2.837 449 R HA 0.897 5.054 4.340 -0.305 0.000 0.271 449 R C -0.813 175.578 176.300 0.152 0.000 0.993 449 R CA -0.682 55.467 56.100 0.081 0.000 0.931 449 R CB 2.225 32.595 30.300 0.117 0.000 1.206 449 R HN 0.659 nan 8.270 nan 0.000 0.474 450 T N -2.037 112.658 114.554 0.234 0.000 2.883 450 T HA 0.555 4.722 4.350 -0.305 0.000 0.296 450 T C -2.925 171.814 174.700 0.065 0.000 1.117 450 T CA -2.488 59.766 62.100 0.256 0.000 1.006 450 T CB 2.072 71.029 68.868 0.149 0.000 1.191 450 T HN 0.379 nan 8.240 nan 0.000 0.508 451 P HA 0.236 nan 4.420 nan 0.000 0.271 451 P C 1.023 177.931 177.300 -0.652 0.000 1.220 451 P CA -0.503 62.083 63.100 -0.856 0.000 0.768 451 P CB 0.792 31.523 31.700 -1.615 0.000 0.848 452 V N 0.170 119.832 119.914 -0.420 0.000 3.565 452 V HA 0.265 4.202 4.120 -0.305 0.000 0.260 452 V C 0.455 176.478 176.094 -0.119 0.000 1.231 452 V CA 0.829 63.036 62.300 -0.155 0.000 1.100 452 V CB -0.770 31.044 31.823 -0.015 0.000 0.807 452 V HN 0.640 nan 8.190 nan 0.000 0.454 453 H N -0.898 117.867 119.070 -0.508 0.000 3.024 453 H HA 0.612 4.984 4.556 -0.306 0.000 0.324 453 H C -0.310 174.718 175.328 -0.500 0.000 1.347 453 H CA 0.327 56.187 56.048 -0.313 0.000 1.182 453 H CB 1.607 31.312 29.762 -0.095 0.000 1.889 453 H HN 0.570 nan 8.280 nan 0.000 0.528 454 G N 2.213 110.505 108.800 -0.846 0.000 2.292 454 G HA2 -0.050 3.727 3.960 -0.305 0.000 0.194 454 G HA3 -0.050 3.727 3.960 -0.305 0.000 0.194 454 G C -1.201 173.443 174.900 -0.426 0.000 1.329 454 G CA -0.507 44.102 45.100 -0.818 0.000 1.100 454 G HN 0.537 nan 8.290 nan 0.000 0.470 455 E N 1.530 121.385 120.200 -0.575 0.000 2.558 455 E HA 0.296 4.463 4.350 -0.305 0.000 0.255 455 E C 1.085 177.633 176.600 -0.085 0.000 0.968 455 E CA 1.155 57.377 56.400 -0.295 0.000 0.939 455 E CB 1.127 30.527 29.700 -0.500 0.000 0.921 455 E HN 0.819 nan 8.360 nan 0.000 0.477 456 T N -0.443 113.993 114.554 -0.196 0.000 3.216 456 T HA 0.070 4.237 4.350 -0.305 0.000 0.167 456 T C 0.285 174.799 174.700 -0.310 0.000 0.905 456 T CA -0.648 61.200 62.100 -0.420 0.000 1.042 456 T CB -0.015 68.736 68.868 -0.196 0.000 1.787 456 T HN 0.591 nan 8.240 nan 0.000 0.355 457 W N 3.316 124.339 121.300 -0.462 0.000 2.335 457 W HA 0.591 5.068 4.660 -0.304 0.000 0.306 457 W C -1.886 174.441 176.519 -0.319 0.000 1.216 457 W CA -0.729 56.371 57.345 -0.408 0.000 1.237 457 W CB 0.956 30.054 29.460 -0.603 0.000 1.243 457 W HN 0.260 nan 8.180 nan 0.000 0.493 458 V N 6.632 126.033 119.914 -0.855 0.000 2.483 458 V HA 0.759 4.696 4.120 -0.305 0.000 0.297 458 V C 0.068 175.614 176.094 -0.913 0.000 1.027 458 V CA -0.613 61.273 62.300 -0.691 0.000 0.855 458 V CB 0.640 32.348 31.823 -0.191 0.000 0.995 458 V HN 0.705 nan 8.190 nan 0.000 0.424 462 E N 4.953 124.849 120.200 -0.506 0.000 2.145 462 E HA 0.474 4.641 4.350 -0.305 0.000 0.270 462 E C -1.112 175.230 176.600 -0.430 0.000 0.906 462 E CA -0.583 55.604 56.400 -0.356 0.000 0.761 462 E CB 0.812 30.389 29.700 -0.205 0.000 1.116 462 E HN 0.465 nan 8.360 nan 0.000 0.408 463 F N 3.710 123.577 119.950 -0.139 0.000 2.705 463 F HA 0.082 4.425 4.527 -0.306 0.000 0.355 463 F C 0.929 176.687 175.800 -0.070 0.000 1.172 463 F CA -0.272 57.669 58.000 -0.097 0.000 1.332 463 F CB -0.251 38.689 39.000 -0.100 0.000 1.621 463 F HN 0.272 nan 8.300 nan 0.000 0.605 464 S N -1.311 114.386 115.700 -0.005 0.000 2.632 464 S HA 0.509 4.796 4.470 -0.305 0.000 0.267 464 S C 0.204 174.816 174.600 0.019 0.000 1.193 464 S CA -0.752 57.449 58.200 0.003 0.000 1.003 464 S CB 1.003 64.185 63.200 -0.031 0.000 1.073 464 S HN 0.154 nan 8.310 nan 0.000 0.553 465 T N 2.731 117.293 114.554 0.014 0.000 2.892 465 T HA 0.519 4.686 4.350 -0.305 0.000 0.311 465 T C -2.120 172.585 174.700 0.009 0.000 1.033 465 T CA -0.817 61.296 62.100 0.022 0.000 0.991 465 T CB 0.898 69.784 68.868 0.029 0.000 0.981 465 T HN 0.670 nan 8.240 nan 0.000 0.457 466 P HA 0.441 nan 4.420 nan 0.000 0.275 466 P C 0.042 177.328 177.300 -0.023 0.000 1.266 466 P CA -0.612 62.491 63.100 0.004 0.000 0.793 466 P CB 0.519 32.219 31.700 0.000 0.000 1.074 467 V N -1.386 118.507 119.914 -0.035 0.000 3.051 467 V HA 0.412 4.349 4.120 -0.305 0.000 0.306 467 V C 0.160 176.159 176.094 -0.159 0.000 1.083 467 V CA -0.565 61.660 62.300 -0.124 0.000 1.104 467 V CB -0.021 31.692 31.823 -0.185 0.000 1.027 467 V HN 0.469 nan 8.190 nan 0.000 0.483 468 R N 2.384 122.751 120.500 -0.221 0.000 2.480 468 R HA 0.826 4.983 4.340 -0.305 0.000 0.306 468 R C -0.648 175.472 176.300 -0.301 0.000 0.958 468 R CA -0.141 55.834 56.100 -0.209 0.000 0.861 468 R CB 2.035 32.282 30.300 -0.088 0.000 1.171 468 R HN 1.147 nan 8.270 nan 0.000 0.445 469 A N 2.805 125.386 122.820 -0.398 0.000 2.515 469 A HA 0.744 4.881 4.320 -0.305 0.000 0.298 469 A C -1.787 175.499 177.584 -0.495 0.000 1.059 469 A CA -0.606 51.180 52.037 -0.418 0.000 0.698 469 A CB 1.217 19.869 19.000 -0.580 0.000 1.289 469 A HN 0.624 nan 8.150 nan 0.000 0.404 470 Y N -0.226 119.952 120.300 -0.204 0.000 2.553 470 Y HA 0.756 5.123 4.550 -0.305 0.000 0.347 470 Y C 0.700 176.521 175.900 -0.132 0.000 1.019 470 Y CA 0.134 58.166 58.100 -0.113 0.000 1.032 470 Y CB 2.923 41.315 38.460 -0.115 0.000 1.284 470 Y HN 1.237 nan 8.280 nan 0.000 0.466 471 G N 1.106 110.008 108.800 0.170 0.000 2.495 471 G HA2 0.695 4.472 3.960 -0.305 0.000 0.294 471 G HA3 0.695 4.472 3.960 -0.305 0.000 0.294 471 G C -2.233 172.747 174.900 0.134 0.000 1.397 471 G CA -0.754 44.362 45.100 0.027 0.000 0.790 471 G HN 0.568 nan 8.290 nan 0.000 0.486 475 Y N 2.676 122.633 120.300 -0.572 0.000 2.718 475 Y HA 0.646 5.014 4.550 -0.305 0.000 0.322 475 Y C 0.921 176.647 175.900 -0.291 0.000 1.122 475 Y CA -0.994 56.780 58.100 -0.544 0.000 1.348 475 Y CB -0.982 37.168 38.460 -0.515 0.000 1.174 475 Y HN 0.495 nan 8.280 nan 0.000 0.523 476 G N 1.497 110.312 108.800 0.025 0.000 2.804 476 G HA2 -0.372 3.405 3.960 -0.305 0.000 0.230 476 G HA3 -0.372 3.405 3.960 -0.305 0.000 0.230 476 G C 0.026 175.073 174.900 0.244 0.000 1.386 476 G CA 0.087 45.265 45.100 0.129 0.000 0.875 476 G HN 0.470 nan 8.290 nan 0.000 0.557 477 N N -0.455 118.380 118.700 0.225 0.000 2.230 477 N HA 0.405 4.962 4.740 -0.305 0.000 0.202 477 N C 0.147 175.856 175.510 0.332 0.000 1.119 477 N CA 1.096 54.299 53.050 0.254 0.000 0.851 477 N CB 0.399 38.947 38.487 0.102 0.000 0.990 477 N HN 0.835 nan 8.380 nan 0.000 0.497 478 S N -0.980 114.894 115.700 0.289 0.000 2.537 478 S HA 0.470 4.756 4.470 -0.305 0.000 0.270 478 S C -0.274 174.430 174.600 0.174 0.000 1.142 478 S CA -0.663 57.660 58.200 0.205 0.000 0.870 478 S CB 1.322 64.649 63.200 0.213 0.000 1.112 478 S HN 0.212 nan 8.310 nan 0.000 0.466 479 R N 1.262 121.776 120.500 0.023 0.000 2.549 479 R HA 0.255 4.412 4.340 -0.305 0.000 0.344 479 R C -0.299 175.907 176.300 -0.156 0.000 0.979 479 R CA -0.265 55.766 56.100 -0.115 0.000 1.140 479 R CB 0.265 30.476 30.300 -0.147 0.000 1.377 479 R HN 0.573 nan 8.270 nan 0.000 0.541 480 Q N 1.555 121.303 119.800 -0.087 0.000 2.361 480 Q HA 0.121 4.277 4.340 -0.305 0.000 0.276 480 Q C -2.298 173.646 176.000 -0.094 0.000 1.022 480 Q CA -1.562 54.191 55.803 -0.085 0.000 0.898 480 Q CB 0.596 29.303 28.738 -0.050 0.000 1.246 480 Q HN 0.062 nan 8.270 nan 0.000 0.410 481 P HA -0.039 nan 4.420 nan 0.000 0.262 481 P C 0.500 177.763 177.300 -0.062 0.000 1.182 481 P CA 1.129 64.177 63.100 -0.087 0.000 0.761 481 P CB 0.282 31.940 31.700 -0.070 0.000 0.795 482 G N 1.616 110.379 108.800 -0.060 0.000 2.162 482 G HA2 -0.269 3.508 3.960 -0.305 0.000 0.260 482 G HA3 -0.269 3.508 3.960 -0.305 0.000 0.260 482 G C 0.564 175.445 174.900 -0.032 0.000 0.976 482 G CA 0.360 45.438 45.100 -0.038 0.000 0.655 482 G HN 0.769 nan 8.290 nan 0.000 0.533 483 T N 0.413 114.950 114.554 -0.029 0.000 2.926 483 T HA 0.436 4.603 4.350 -0.305 0.000 0.307 483 T C 1.977 176.652 174.700 -0.041 0.000 1.059 483 T CA 1.435 63.523 62.100 -0.020 0.000 1.122 483 T CB 0.638 69.529 68.868 0.037 0.000 0.972 483 T HN 0.901 nan 8.240 nan 0.000 0.545 484 T N 0.843 115.289 114.554 -0.179 0.000 3.107 484 T HA 0.122 4.289 4.350 -0.305 0.000 0.249 484 T C 0.723 175.263 174.700 -0.266 0.000 1.096 484 T CA 0.183 62.141 62.100 -0.236 0.000 1.012 484 T CB -0.131 68.536 68.868 -0.334 0.000 0.977 484 T HN 0.715 nan 8.240 nan 0.000 0.527 485 H N -0.079 119.058 119.070 0.111 0.000 2.524 485 H HA 0.317 4.690 4.556 -0.305 0.000 0.297 485 H C 0.065 175.499 175.328 0.178 0.000 1.115 485 H CA -0.687 55.433 56.048 0.120 0.000 1.027 485 H CB 0.024 29.852 29.762 0.111 0.000 1.591 485 H HN 0.443 nan 8.280 nan 0.000 0.543 486 Y N 1.476 121.840 120.300 0.108 0.000 2.506 486 Y HA 0.012 4.379 4.550 -0.305 0.000 0.287 486 Y C 1.962 177.911 175.900 0.081 0.000 1.147 486 Y CA 1.012 59.166 58.100 0.090 0.000 1.241 486 Y CB 0.497 38.986 38.460 0.049 0.000 1.279 486 Y HN 0.102 nan 8.280 nan 0.000 0.527 487 S N -0.481 115.225 115.700 0.010 0.000 2.572 487 S HA 0.056 4.343 4.470 -0.305 0.000 0.228 487 S C 0.688 175.277 174.600 -0.018 0.000 0.963 487 S CA 0.147 58.297 58.200 -0.083 0.000 0.939 487 S CB -0.401 62.807 63.200 0.013 0.000 0.804 487 S HN 0.579 nan 8.310 nan 0.000 0.480 488 D N 1.095 121.514 120.400 0.031 0.000 2.336 488 D HA 0.003 4.460 4.640 -0.305 0.000 0.229 488 D C 1.160 177.477 176.300 0.029 0.000 1.061 488 D CA 0.227 54.258 54.000 0.052 0.000 0.875 488 D CB -0.124 40.749 40.800 0.122 0.000 0.904 488 D HN 0.546 nan 8.370 nan 0.000 0.525 489 Q N -0.885 118.907 119.800 -0.015 0.000 2.210 489 Q HA 0.198 4.355 4.340 -0.305 0.000 0.252 489 Q C 1.532 177.485 176.000 -0.077 0.000 0.811 489 Q CA -0.340 55.439 55.803 -0.040 0.000 0.953 489 Q CB 0.514 29.226 28.738 -0.044 0.000 1.136 489 Q HN 0.087 nan 8.270 nan 0.000 0.491 490 I N 2.092 122.612 120.570 -0.083 0.000 2.361 490 I HA -0.248 3.738 4.170 -0.305 0.000 0.251 490 I C 2.294 178.387 176.117 -0.040 0.000 1.133 490 I CA 1.482 62.741 61.300 -0.069 0.000 1.413 490 I CB 0.041 38.008 38.000 -0.055 0.000 1.073 490 I HN 0.168 nan 8.210 nan 0.000 0.424 491 E N 0.846 121.027 120.200 -0.032 0.000 2.072 491 E HA -0.222 3.945 4.350 -0.305 0.000 0.191 491 E C 2.347 178.923 176.600 -0.041 0.000 0.985 491 E CA 1.219 57.605 56.400 -0.023 0.000 0.801 491 E CB -0.088 29.605 29.700 -0.011 0.000 0.750 491 E HN 0.500 nan 8.360 nan 0.000 0.452 492 R N -0.044 120.420 120.500 -0.060 0.000 2.115 492 R HA -0.054 4.103 4.340 -0.305 0.000 0.230 492 R C 2.539 178.743 176.300 -0.160 0.000 1.111 492 R CA 1.059 57.102 56.100 -0.095 0.000 0.976 492 R CB -0.201 30.040 30.300 -0.099 0.000 0.870 492 R HN 0.059 nan 8.270 nan 0.000 0.445 493 V N 1.223 121.045 119.914 -0.153 0.000 2.343 493 V HA -0.256 3.681 4.120 -0.305 0.000 0.247 493 V C 2.380 178.429 176.094 -0.075 0.000 1.051 493 V CA 2.212 64.417 62.300 -0.158 0.000 1.036 493 V CB -0.478 31.307 31.823 -0.064 0.000 0.654 493 V HN 0.467 nan 8.190 nan 0.000 0.451 494 S N -0.023 115.650 115.700 -0.045 0.000 2.507 494 S HA -0.120 4.167 4.470 -0.305 0.000 0.235 494 S C 1.722 176.318 174.600 -0.006 0.000 0.988 494 S CA 1.024 59.211 58.200 -0.022 0.000 0.944 494 S CB -0.305 62.886 63.200 -0.016 0.000 0.762 494 S HN 0.653 nan 8.310 nan 0.000 0.526 495 R N 0.149 120.632 120.500 -0.028 0.000 2.508 495 R HA 0.498 4.655 4.340 -0.305 0.000 0.300 495 R C 0.745 177.036 176.300 -0.016 0.000 0.970 495 R CA 0.359 56.453 56.100 -0.009 0.000 1.102 495 R CB 0.350 30.643 30.300 -0.012 0.000 1.246 495 R HN 0.408 nan 8.270 nan 0.000 0.539 496 A N 2.085 124.861 122.820 -0.072 0.000 2.783 496 A HA -0.206 3.931 4.320 -0.305 0.000 0.292 496 A C -0.156 177.375 177.584 -0.089 0.000 1.495 496 A CA 1.229 53.206 52.037 -0.099 0.000 0.787 496 A CB -1.571 17.519 19.000 0.151 0.000 1.017 496 A HN 0.391 nan 8.150 nan 0.000 0.516 497 D N -0.090 120.201 120.400 -0.181 0.000 2.500 497 D HA 0.519 4.976 4.640 -0.305 0.000 0.219 497 D C -0.145 176.084 176.300 -0.119 0.000 1.137 497 D CA -0.231 53.734 54.000 -0.059 0.000 0.946 497 D CB -0.423 40.355 40.800 -0.036 0.000 1.022 497 D HN 0.236 nan 8.370 nan 0.000 0.518 498 F N 1.913 121.865 119.950 0.004 0.000 2.418 498 F HA 0.317 4.661 4.527 -0.306 0.000 0.341 498 F C 1.700 177.582 175.800 0.138 0.000 1.120 498 F CA -0.316 57.709 58.000 0.042 0.000 1.232 498 F CB 0.723 39.737 39.000 0.024 0.000 1.175 498 F HN -0.052 nan 8.300 nan 0.000 0.569 499 R N 1.299 121.966 120.500 0.278 0.000 2.441 499 R HA 0.164 4.321 4.340 -0.305 0.000 0.284 499 R C -0.201 176.209 176.300 0.182 0.000 1.070 499 R CA -0.683 55.538 56.100 0.202 0.000 1.047 499 R CB 0.726 31.103 30.300 0.127 0.000 1.016 499 R HN 0.633 nan 8.270 nan 0.000 0.477 500 E N 3.466 123.682 120.200 0.026 0.000 2.259 500 E HA 0.071 4.238 4.350 -0.305 0.000 0.281 500 E C -0.664 175.790 176.600 -0.242 0.000 1.037 500 E CA -0.353 55.809 56.400 -0.397 0.000 0.854 500 E CB 0.626 30.112 29.700 -0.357 0.000 1.051 500 E HN 0.350 nan 8.360 nan 0.000 0.409 501 L N 5.973 127.010 121.223 -0.308 0.000 2.319 501 L HA 0.215 4.372 4.340 -0.305 0.000 0.280 501 L C -0.185 176.494 176.870 -0.318 0.000 1.099 501 L CA -0.399 54.289 54.840 -0.254 0.000 0.828 501 L CB 0.348 42.236 42.059 -0.284 0.000 1.150 501 L HN 0.462 nan 8.230 nan 0.000 0.442 502 L N 5.044 126.135 121.223 -0.220 0.000 2.262 502 L HA 0.207 4.364 4.340 -0.305 0.000 0.288 502 L C 0.407 177.187 176.870 -0.150 0.000 1.035 502 L CA -0.410 54.348 54.840 -0.137 0.000 0.820 502 L CB 1.246 43.296 42.059 -0.015 0.000 1.204 502 L HN 0.589 nan 8.230 nan 0.000 0.424 503 L N 2.269 123.391 121.223 -0.169 0.000 2.470 503 L HA 0.247 4.404 4.340 -0.305 0.000 0.219 503 L C 1.140 178.081 176.870 0.118 0.000 1.071 503 L CA 0.577 55.346 54.840 -0.118 0.000 0.850 503 L CB -0.127 41.841 42.059 -0.151 0.000 1.040 503 L HN 0.456 nan 8.230 nan 0.000 0.475 504 R N 0.092 120.624 120.500 0.053 0.000 2.389 504 R HA 0.099 4.255 4.340 -0.305 0.000 0.295 504 R C 1.048 177.393 176.300 0.076 0.000 1.075 504 R CA -0.357 55.782 56.100 0.064 0.000 1.005 504 R CB 0.973 31.288 30.300 0.026 0.000 0.987 504 R HN -0.091 nan 8.270 nan 0.000 0.452 505 R N 3.013 123.554 120.500 0.070 0.000 2.113 505 R HA -0.236 3.921 4.340 -0.305 0.000 0.244 505 R C 1.909 178.232 176.300 0.039 0.000 1.142 505 R CA 2.412 58.543 56.100 0.052 0.000 0.953 505 R CB -0.184 30.133 30.300 0.029 0.000 0.860 505 R HN 0.774 nan 8.270 nan 0.000 0.438 506 E N 0.404 120.622 120.200 0.030 0.000 2.110 506 E HA -0.265 3.902 4.350 -0.305 0.000 0.193 506 E C 1.736 178.351 176.600 0.024 0.000 0.988 506 E CA 1.550 57.963 56.400 0.022 0.000 0.804 506 E CB -0.435 29.275 29.700 0.017 0.000 0.745 506 E HN 0.616 nan 8.360 nan 0.000 0.458 507 Q N 0.683 120.498 119.800 0.025 0.000 2.046 507 Q HA -0.068 4.089 4.340 -0.305 0.000 0.200 507 Q C 2.579 178.601 176.000 0.036 0.000 0.975 507 Q CA 1.673 57.488 55.803 0.021 0.000 0.836 507 Q CB -0.041 28.701 28.738 0.006 0.000 0.896 507 Q HN 0.177 nan 8.270 nan 0.000 0.428 508 V N 1.364 121.312 119.914 0.056 0.000 2.343 508 V HA -0.255 3.682 4.120 -0.305 0.000 0.247 508 V C 1.910 178.034 176.094 0.050 0.000 1.051 508 V CA 1.911 64.254 62.300 0.071 0.000 1.036 508 V CB -0.523 31.361 31.823 0.103 0.000 0.654 508 V HN 0.352 nan 8.190 nan 0.000 0.451 509 E N 0.165 120.388 120.200 0.039 0.000 2.153 509 E HA -0.188 3.979 4.350 -0.305 0.000 0.194 509 E C 2.223 178.840 176.600 0.027 0.000 0.988 509 E CA 1.257 57.674 56.400 0.029 0.000 0.811 509 E CB -0.261 29.452 29.700 0.022 0.000 0.746 509 E HN 0.619 nan 8.360 nan 0.000 0.466 510 A N 0.618 123.455 122.820 0.027 0.000 2.067 510 A HA 0.126 4.263 4.320 -0.305 0.000 0.217 510 A C 2.081 179.682 177.584 0.029 0.000 1.156 510 A CA 1.172 53.224 52.037 0.025 0.000 0.683 510 A CB 0.048 19.061 19.000 0.022 0.000 0.808 510 A HN 0.241 nan 8.150 nan 0.000 0.455 511 A N -0.993 121.848 122.820 0.034 0.000 2.348 511 A HA 0.458 4.595 4.320 -0.305 0.000 0.224 511 A C 0.834 178.442 177.584 0.040 0.000 1.227 511 A CA 0.186 52.245 52.037 0.037 0.000 0.885 511 A CB -0.362 18.662 19.000 0.040 0.000 0.933 511 A HN 0.504 nan 8.150 nan 0.000 0.506 512 V N 0.637 120.574 119.914 0.039 0.000 2.599 512 V HA 0.011 3.948 4.120 -0.305 0.000 0.300 512 V C 0.725 176.842 176.094 0.039 0.000 1.034 512 V CA 0.960 63.284 62.300 0.039 0.000 1.115 512 V CB 0.910 32.754 31.823 0.036 0.000 0.934 512 V HN 0.695 nan 8.190 nan 0.000 0.485 513 Q N 3.662 123.488 119.800 0.043 0.000 2.288 513 Q HA 0.339 4.496 4.340 -0.305 0.000 0.256 513 Q C -0.209 175.823 176.000 0.052 0.000 0.835 513 Q CA 0.102 55.935 55.803 0.050 0.000 0.958 513 Q CB 1.089 29.864 28.738 0.062 0.000 1.125 513 Q HN 0.834 nan 8.270 nan 0.000 0.513 514 E N 0.554 120.785 120.200 0.052 0.000 2.314 514 E HA 0.481 4.648 4.350 -0.305 0.000 0.272 514 E C -1.117 175.513 176.600 0.050 0.000 0.884 514 E CA -0.502 55.931 56.400 0.054 0.000 0.753 514 E CB 2.328 32.067 29.700 0.065 0.000 1.213 514 E HN -0.053 nan 8.360 nan 0.000 0.432 515 R N 0.867 121.397 120.500 0.049 0.000 2.561 515 R HA 0.450 4.607 4.340 -0.305 0.000 0.297 515 R C -1.022 175.317 176.300 0.064 0.000 0.969 515 R CA -0.573 55.557 56.100 0.051 0.000 0.879 515 R CB 2.103 32.425 30.300 0.038 0.000 1.178 515 R HN 0.304 nan 8.270 nan 0.000 0.445 516 T N 4.104 118.711 114.554 0.089 0.000 3.241 516 T HA 0.267 4.434 4.350 -0.305 0.000 0.387 516 T C -2.305 172.505 174.700 0.183 0.000 1.451 516 T CA -1.282 60.892 62.100 0.123 0.000 1.363 516 T CB 0.924 69.868 68.868 0.127 0.000 1.074 516 T HN 0.282 nan 8.240 nan 0.000 0.598 517 P HA 0.520 nan 4.420 nan 0.000 0.271 517 P C -0.798 176.598 177.300 0.159 0.000 1.216 517 P CA -0.466 62.667 63.100 0.054 0.000 0.776 517 P CB 0.348 32.053 31.700 0.008 0.000 0.881 518 F N -0.540 119.422 119.950 0.021 0.000 2.645 518 F HA 0.646 4.990 4.527 -0.305 0.000 0.310 518 F C -1.169 174.663 175.800 0.053 0.000 1.102 518 F CA -1.273 56.748 58.000 0.035 0.000 0.952 518 F CB 1.624 40.644 39.000 0.034 0.000 1.326 518 F HN 0.069 nan 8.300 nan 0.000 0.456 519 N N 2.067 120.952 118.700 0.308 0.000 2.491 519 N HA 0.339 4.896 4.740 -0.305 0.000 0.274 519 N C -1.956 173.764 175.510 0.351 0.000 1.023 519 N CA -0.497 52.681 53.050 0.212 0.000 0.902 519 N CB 0.912 39.457 38.487 0.098 0.000 1.267 519 N HN 0.707 nan 8.380 nan 0.000 0.503 520 F N 4.681 124.768 119.950 0.229 0.000 2.420 520 F HA 0.481 4.825 4.527 -0.305 0.000 0.352 520 F C 0.053 175.907 175.800 0.089 0.000 1.108 520 F CA -0.578 57.527 58.000 0.174 0.000 1.162 520 F CB 0.453 39.580 39.000 0.212 0.000 1.118 520 F HN 0.511 nan 8.300 nan 0.000 0.510 521 K N 0.000 120.186 120.400 -0.357 0.000 2.780 521 K HA 0.000 4.137 4.320 -0.305 0.000 0.191 521 K CA 0.000 56.013 56.287 -0.456 0.000 0.838 521 K CB 0.000 32.408 32.500 -0.153 0.000 1.064 521 K HN 0.000 nan 8.250 nan 0.000 0.543