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_B 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 0.000 174.278 174.600 -0.536 0.000 1.055 1 S CA 0.000 57.804 58.200 -0.659 0.000 1.107 1 S CB 0.000 63.069 63.200 -0.219 0.000 0.593 2 N N 1.280 119.587 118.700 -0.654 0.000 2.381 2 N HA 0.816 5.555 4.740 -0.001 0.000 0.294 2 N C -1.232 174.124 175.510 -0.257 0.000 1.216 2 N CA -0.707 52.058 53.050 -0.474 0.000 0.803 2 N CB 1.999 39.959 38.487 -0.880 0.000 1.372 2 N HN 0.790 nan 8.380 nan 0.000 0.500 3 S N -0.385 115.249 115.700 -0.110 0.000 2.626 3 S HA 0.549 5.018 4.470 -0.001 0.000 0.275 3 S C -1.948 172.832 174.600 0.299 0.000 1.175 3 S CA -0.960 57.288 58.200 0.080 0.000 0.982 3 S CB 0.867 64.172 63.200 0.175 0.000 1.093 3 S HN 0.447 nan 8.310 nan 0.000 0.472 4 W N 1.402 122.858 121.300 0.260 0.000 2.819 4 W HA 0.818 5.477 4.660 -0.001 0.000 0.337 4 W C -0.430 176.290 176.519 0.336 0.000 1.077 4 W CA -1.178 56.360 57.345 0.321 0.000 1.226 4 W CB 2.212 31.878 29.460 0.343 0.000 1.419 4 W HN 1.111 nan 8.180 nan 0.000 0.502 5 A N 2.482 125.604 122.820 0.503 0.000 2.381 5 A HA 0.787 5.107 4.320 -0.001 0.000 0.299 5 A C -1.684 176.036 177.584 0.226 0.000 1.049 5 A CA -0.554 51.661 52.037 0.297 0.000 0.715 5 A CB 1.302 20.442 19.000 0.232 0.000 1.222 5 A HN 0.265 nan 8.150 nan 0.000 0.428 6 V N 1.941 121.904 119.914 0.082 0.000 2.495 6 V HA 0.705 4.825 4.120 -0.001 0.000 0.298 6 V C 0.766 176.851 176.094 -0.014 0.000 1.031 6 V CA -0.369 61.949 62.300 0.029 0.000 0.871 6 V CB 1.441 33.195 31.823 -0.115 0.000 0.988 6 V HN 1.277 nan 8.190 nan 0.000 0.432 7 A N 5.972 128.800 122.820 0.013 0.000 2.332 7 A HA 0.580 4.900 4.320 -0.001 0.000 0.258 7 A C -1.472 176.092 177.584 -0.033 0.000 1.087 7 A CA -1.095 50.933 52.037 -0.016 0.000 0.802 7 A CB 0.097 19.094 19.000 -0.005 0.000 1.042 7 A HN 0.693 nan 8.150 nan 0.000 0.489 8 P HA -0.160 nan 4.420 nan 0.000 0.215 8 P C 1.607 178.886 177.300 -0.035 0.000 1.157 8 P CA 2.120 65.197 63.100 -0.039 0.000 0.874 8 P CB 0.047 31.727 31.700 -0.032 0.000 0.790 9 G N -0.572 108.213 108.800 -0.025 0.000 2.501 9 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.220 9 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.220 9 G C 1.455 176.342 174.900 -0.022 0.000 1.114 9 G CA 0.569 45.657 45.100 -0.021 0.000 0.757 9 G HN 0.312 nan 8.290 nan 0.000 0.559 10 K N 0.319 120.704 120.400 -0.025 0.000 2.358 10 K HA 0.108 4.427 4.320 -0.001 0.000 0.197 10 K C 0.715 177.278 176.600 -0.062 0.000 1.025 10 K CA 0.307 56.574 56.287 -0.034 0.000 1.104 10 K CB 0.258 32.749 32.500 -0.014 0.000 0.855 10 K HN 0.378 nan 8.250 nan 0.000 0.531 11 T N -4.055 110.460 114.554 -0.065 0.000 2.952 11 T HA 0.530 4.880 4.350 -0.001 0.000 0.286 11 T C 1.056 175.720 174.700 -0.061 0.000 1.024 11 T CA -0.538 61.514 62.100 -0.080 0.000 1.029 11 T CB 1.859 70.668 68.868 -0.098 0.000 1.094 11 T HN -0.027 nan 8.240 nan 0.000 0.515 12 A N 1.304 124.088 122.820 -0.061 0.000 1.898 12 A HA 0.051 4.371 4.320 -0.001 0.000 0.214 12 A C 2.031 179.590 177.584 -0.042 0.000 1.183 12 A CA 0.740 52.748 52.037 -0.048 0.000 0.622 12 A CB -0.736 18.236 19.000 -0.047 0.000 0.824 12 A HN 0.788 nan 8.150 nan 0.000 0.444 13 N N -0.915 117.757 118.700 -0.046 0.000 2.353 13 N HA 0.161 4.901 4.740 -0.001 0.000 0.185 13 N C 1.036 176.526 175.510 -0.033 0.000 1.098 13 N CA 1.010 54.037 53.050 -0.037 0.000 0.872 13 N CB 0.426 38.890 38.487 -0.038 0.000 0.970 13 N HN 0.644 nan 8.380 nan 0.000 0.467 14 G N 0.749 109.526 108.800 -0.039 0.000 2.137 14 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.237 14 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.237 14 G C -0.473 174.411 174.900 -0.028 0.000 1.002 14 G CA -0.242 44.839 45.100 -0.032 0.000 0.702 14 G HN 0.438 nan 8.290 nan 0.000 0.515 15 N N 0.111 118.790 118.700 -0.035 0.000 2.284 15 N HA 0.681 5.421 4.740 -0.001 0.000 0.300 15 N C 0.320 175.814 175.510 -0.028 0.000 1.047 15 N CA -0.256 52.786 53.050 -0.013 0.000 0.821 15 N CB 1.628 40.111 38.487 -0.006 0.000 1.337 15 N HN 0.550 nan 8.380 nan 0.000 0.482 16 A N 2.040 124.866 122.820 0.010 0.000 2.483 16 A HA 0.307 4.627 4.320 -0.001 0.000 0.238 16 A C -0.319 177.272 177.584 0.011 0.000 1.070 16 A CA 0.163 52.197 52.037 -0.005 0.000 0.770 16 A CB 0.004 18.985 19.000 -0.031 0.000 1.008 16 A HN 0.613 nan 8.150 nan 0.000 0.497 17 L N 1.376 122.509 121.223 -0.150 0.000 2.342 17 L HA 0.695 5.034 4.340 -0.001 0.000 0.271 17 L C -0.728 176.026 176.870 -0.193 0.000 1.008 17 L CA -0.823 53.786 54.840 -0.384 0.000 0.818 17 L CB 1.729 43.169 42.059 -1.031 0.000 1.296 17 L HN 0.682 nan 8.230 nan 0.000 0.427 18 L N 3.264 124.456 121.223 -0.051 0.000 2.431 18 L HA 0.649 4.988 4.340 -0.001 0.000 0.266 18 L C -1.625 175.455 176.870 0.350 0.000 0.978 18 L CA -0.442 54.529 54.840 0.219 0.000 0.822 18 L CB 2.090 44.308 42.059 0.265 0.000 1.310 18 L HN 0.477 nan 8.230 nan 0.000 0.409 19 L N 3.892 125.383 121.223 0.445 0.000 2.333 19 L HA 0.602 4.941 4.340 -0.001 0.000 0.280 19 L C -1.061 175.880 176.870 0.119 0.000 1.004 19 L CA 0.109 55.100 54.840 0.253 0.000 0.820 19 L CB 1.730 43.887 42.059 0.163 0.000 1.247 19 L HN 0.726 nan 8.230 nan 0.000 0.416 20 Q N 4.660 124.476 119.800 0.026 0.000 2.307 20 Q HA 0.397 4.737 4.340 -0.001 0.000 0.262 20 Q C -0.659 175.236 176.000 -0.174 0.000 0.961 20 Q CA -0.149 55.706 55.803 0.087 0.000 0.882 20 Q CB 1.375 30.273 28.738 0.267 0.000 1.264 20 Q HN 0.732 nan 8.270 nan 0.000 0.446 21 N N 2.712 121.294 118.700 -0.196 0.000 2.679 21 N HA 0.154 4.894 4.740 -0.001 0.000 0.240 21 N C -2.767 172.462 175.510 -0.467 0.000 1.537 21 N CA -1.155 51.672 53.050 -0.372 0.000 0.793 21 N CB 1.040 39.268 38.487 -0.431 0.000 1.391 21 N HN 0.333 nan 8.380 nan 0.000 0.524 22 P HA 0.088 nan 4.420 nan 0.000 0.275 22 P C -1.140 176.031 177.300 -0.214 0.000 1.227 22 P CA 0.469 63.349 63.100 -0.368 0.000 0.781 22 P CB 0.872 32.201 31.700 -0.618 0.000 0.906 23 H N 2.180 121.156 119.070 -0.157 0.000 2.551 23 H HA 0.578 5.134 4.556 -0.001 0.000 0.321 23 H C 0.015 175.200 175.328 -0.238 0.000 1.028 23 H CA -0.771 55.104 56.048 -0.288 0.000 1.215 23 H CB 1.229 30.807 29.762 -0.307 0.000 1.414 23 H HN 0.282 nan 8.280 nan 0.000 0.480 24 L N 0.905 122.056 121.223 -0.120 0.000 2.630 24 L HA 0.254 4.594 4.340 -0.001 0.000 0.258 24 L C 0.004 177.005 176.870 0.219 0.000 1.072 24 L CA -0.988 53.871 54.840 0.033 0.000 0.885 24 L CB 2.391 44.422 42.059 -0.046 0.000 1.502 24 L HN 0.470 nan 8.230 nan 0.000 0.406 25 S N -0.479 115.444 115.700 0.371 0.000 2.558 25 S HA -0.034 4.436 4.470 -0.001 0.000 0.291 25 S C 0.081 174.993 174.600 0.520 0.000 1.306 25 S CA 0.251 58.706 58.200 0.425 0.000 1.056 25 S CB 0.242 63.665 63.200 0.371 0.000 0.836 25 S HN 0.455 nan 8.310 nan 0.000 0.504 26 W N 2.415 123.828 121.300 0.189 0.000 3.256 26 W HA 0.176 4.835 4.660 -0.001 0.000 0.269 26 W C 2.244 178.793 176.519 0.049 0.000 1.310 26 W CA 0.518 58.001 57.345 0.230 0.000 1.673 26 W CB -0.901 28.709 29.460 0.250 0.000 1.115 26 W HN 0.961 nan 8.180 nan 0.000 0.686 27 T N -6.299 108.391 114.554 0.228 0.000 2.989 27 T HA 0.095 4.445 4.350 -0.001 0.000 0.250 27 T C 0.889 175.561 174.700 -0.048 0.000 0.981 27 T CA 0.137 62.282 62.100 0.075 0.000 0.980 27 T CB -0.336 68.586 68.868 0.091 0.000 1.133 27 T HN -0.284 nan 8.240 nan 0.000 0.489 28 T N 4.585 119.103 114.554 -0.060 0.000 2.792 28 T HA 0.098 4.448 4.350 -0.001 0.000 0.286 28 T C 1.085 175.552 174.700 -0.388 0.000 0.970 28 T CA 0.419 62.340 62.100 -0.298 0.000 1.187 28 T CB 0.693 69.313 68.868 -0.413 0.000 0.915 28 T HN 0.539 nan 8.240 nan 0.000 0.529 29 D N 3.662 123.822 120.400 -0.400 0.000 2.106 29 D HA -0.267 4.373 4.640 -0.001 0.000 0.191 29 D C 1.652 177.804 176.300 -0.248 0.000 0.997 29 D CA 1.763 55.594 54.000 -0.282 0.000 0.834 29 D CB -0.740 39.950 40.800 -0.184 0.000 0.956 29 D HN 0.839 nan 8.370 nan 0.000 0.448 30 Y N -1.735 118.459 120.300 -0.177 0.000 2.632 30 Y HA 0.244 4.793 4.550 -0.001 0.000 0.301 30 Y C 1.568 177.441 175.900 -0.044 0.000 1.172 30 Y CA -0.288 57.717 58.100 -0.159 0.000 1.328 30 Y CB -1.218 37.111 38.460 -0.219 0.000 1.016 30 Y HN 0.023 nan 8.280 nan 0.000 0.529 31 F N 0.123 119.964 119.950 -0.181 0.000 2.695 31 F HA 0.177 4.703 4.527 -0.001 0.000 0.303 31 F C 0.600 176.203 175.800 -0.327 0.000 1.091 31 F CA -0.577 57.317 58.000 -0.177 0.000 1.300 31 F CB 0.388 39.322 39.000 -0.111 0.000 1.071 31 F HN -0.151 nan 8.300 nan 0.000 0.578 32 T N 0.995 115.489 114.554 -0.099 0.000 2.853 32 T HA 0.031 4.381 4.350 -0.001 0.000 0.298 32 T C -0.582 174.056 174.700 -0.104 0.000 0.978 32 T CA 0.394 62.399 62.100 -0.158 0.000 1.152 32 T CB 0.156 68.902 68.868 -0.203 0.000 0.914 32 T HN 0.017 nan 8.240 nan 0.000 0.539 33 Y N 1.608 122.051 120.300 0.239 0.000 2.335 33 Y HA 0.465 5.015 4.550 -0.001 0.000 0.323 33 Y C -0.172 175.858 175.900 0.217 0.000 1.224 33 Y CA -0.875 57.333 58.100 0.179 0.000 1.241 33 Y CB 1.048 39.564 38.460 0.094 0.000 1.235 33 Y HN 0.597 nan 8.280 nan 0.000 0.492 34 Y N 2.340 122.714 120.300 0.124 0.000 2.406 34 Y HA 0.288 4.838 4.550 -0.001 0.000 0.340 34 Y C -0.804 174.989 175.900 -0.179 0.000 0.975 34 Y CA -1.506 56.589 58.100 -0.008 0.000 1.056 34 Y CB 1.370 39.818 38.460 -0.020 0.000 1.210 34 Y HN 0.640 nan 8.280 nan 0.000 0.448 35 E N 4.424 124.244 120.200 -0.633 0.000 2.249 35 E HA 0.749 5.099 4.350 -0.001 0.000 0.280 35 E C -1.391 174.651 176.600 -0.930 0.000 1.016 35 E CA -0.384 55.541 56.400 -0.792 0.000 0.830 35 E CB 0.892 30.246 29.700 -0.576 0.000 1.081 35 E HN 0.826 nan 8.360 nan 0.000 0.395 36 A N 4.242 126.578 122.820 -0.806 0.000 2.581 36 A HA 0.424 4.744 4.320 -0.001 0.000 0.290 36 A C -1.852 175.331 177.584 -0.667 0.000 1.119 36 A CA -0.614 51.041 52.037 -0.636 0.000 0.670 36 A CB 1.541 20.290 19.000 -0.418 0.000 1.280 36 A HN 0.812 nan 8.150 nan 0.000 0.425 37 H N 0.186 118.957 119.070 -0.498 0.000 2.934 37 H HA 0.606 5.161 4.556 -0.001 0.000 0.340 37 H C -2.093 173.168 175.328 -0.113 0.000 1.008 37 H CA -0.664 55.172 56.048 -0.354 0.000 1.317 37 H CB 0.971 30.605 29.762 -0.213 0.000 1.670 37 H HN 0.449 nan 8.280 nan 0.000 0.516 38 L N 5.603 126.834 121.223 0.014 0.000 2.341 38 L HA 0.451 4.790 4.340 -0.001 0.000 0.278 38 L C -0.837 175.966 176.870 -0.113 0.000 1.005 38 L CA -0.701 54.129 54.840 -0.017 0.000 0.818 38 L CB 1.878 44.064 42.059 0.212 0.000 1.259 38 L HN 0.377 nan 8.230 nan 0.000 0.418 39 V N 1.534 121.293 119.914 -0.258 0.000 2.623 39 V HA 0.793 4.912 4.120 -0.001 0.000 0.304 39 V C -0.095 175.786 176.094 -0.355 0.000 1.054 39 V CA -0.449 61.668 62.300 -0.305 0.000 0.882 39 V CB 2.104 33.749 31.823 -0.297 0.000 1.002 39 V HN 0.902 nan 8.190 nan 0.000 0.424 40 T N 2.018 116.266 114.554 -0.510 0.000 2.831 40 T HA 0.591 4.940 4.350 -0.001 0.000 0.287 40 T C -2.366 172.173 174.700 -0.268 0.000 1.070 40 T CA -1.768 60.077 62.100 -0.425 0.000 1.010 40 T CB 2.058 70.550 68.868 -0.626 0.000 1.264 40 T HN 0.321 nan 8.240 nan 0.000 0.532 41 P HA 0.154 nan 4.420 nan 0.000 0.223 41 P C 0.436 177.712 177.300 -0.040 0.000 1.151 41 P CA 0.678 63.732 63.100 -0.076 0.000 0.787 41 P CB 0.109 31.785 31.700 -0.040 0.000 0.788 42 D N -1.867 118.507 120.400 -0.042 0.000 2.417 42 D HA 0.149 4.788 4.640 -0.001 0.000 0.207 42 D C 0.407 176.819 176.300 0.186 0.000 1.075 42 D CA 0.357 54.404 54.000 0.079 0.000 0.851 42 D CB 0.461 41.355 40.800 0.155 0.000 0.976 42 D HN 0.250 nan 8.370 nan 0.000 0.505 43 F N -0.355 119.628 119.950 0.055 0.000 2.713 43 F HA 0.623 5.150 4.527 -0.001 0.000 0.311 43 F C -1.578 174.253 175.800 0.052 0.000 1.141 43 F CA -1.231 56.795 58.000 0.042 0.000 0.939 43 F CB 1.668 40.681 39.000 0.021 0.000 1.325 43 F HN -0.325 nan 8.300 nan 0.000 0.453 44 E N 2.245 122.697 120.200 0.419 0.000 2.321 44 E HA 0.726 5.076 4.350 -0.001 0.000 0.278 44 E C -1.818 174.984 176.600 0.337 0.000 0.902 44 E CA -0.955 55.630 56.400 0.307 0.000 0.758 44 E CB 2.888 32.708 29.700 0.201 0.000 1.213 44 E HN 0.877 nan 8.360 nan 0.000 0.426 45 I N 0.896 121.663 120.570 0.328 0.000 2.692 45 I HA 0.547 4.716 4.170 -0.001 0.000 0.293 45 I C -1.944 174.262 176.117 0.149 0.000 1.200 45 I CA -0.962 60.455 61.300 0.194 0.000 1.036 45 I CB 1.808 39.908 38.000 0.167 0.000 1.258 45 I HN 0.584 nan 8.210 nan 0.000 0.421 46 Y N 4.336 124.494 120.300 -0.237 0.000 2.425 46 Y HA 0.875 5.425 4.550 -0.001 0.000 0.344 46 Y C 0.072 175.721 175.900 -0.417 0.000 0.969 46 Y CA 0.415 58.254 58.100 -0.436 0.000 1.052 46 Y CB 2.212 40.118 38.460 -0.923 0.000 1.215 46 Y HN 1.138 nan 8.280 nan 0.000 0.451 47 G N 1.862 110.409 108.800 -0.422 0.000 2.356 47 G HA2 0.474 4.434 3.960 -0.001 0.000 0.288 47 G HA3 0.474 4.434 3.960 -0.001 0.000 0.288 47 G C -2.121 172.430 174.900 -0.581 0.000 1.302 47 G CA -0.362 44.604 45.100 -0.223 0.000 0.887 47 G HN 0.993 nan 8.290 nan 0.000 0.521 48 A N -1.153 121.266 122.820 -0.668 0.000 2.330 48 A HA 0.990 5.310 4.320 -0.001 0.000 0.329 48 A C -0.001 177.531 177.584 -0.086 0.000 1.135 48 A CA 0.193 51.835 52.037 -0.659 0.000 0.817 48 A CB 2.077 20.276 19.000 -1.334 0.000 1.269 48 A HN 1.840 nan 8.150 nan 0.000 0.469 49 T N -0.189 114.441 114.554 0.126 0.000 2.802 49 T HA 0.426 4.776 4.350 -0.001 0.000 0.311 49 T C -1.284 173.615 174.700 0.331 0.000 1.405 49 T CA -0.440 61.839 62.100 0.298 0.000 1.016 49 T CB 1.217 70.150 68.868 0.108 0.000 1.352 49 T HN 0.714 nan 8.240 nan 0.000 0.498 50 Q N 1.980 121.905 119.800 0.208 0.000 2.364 50 Q HA 0.434 4.773 4.340 -0.001 0.000 0.267 50 Q C 0.449 176.477 176.000 0.047 0.000 0.999 50 Q CA -0.164 55.655 55.803 0.027 0.000 0.886 50 Q CB 0.258 29.012 28.738 0.028 0.000 1.243 50 Q HN 0.639 nan 8.270 nan 0.000 0.415 51 I N -1.011 119.563 120.570 0.007 0.000 2.845 51 I HA 0.200 4.370 4.170 -0.001 0.000 0.296 51 I C 1.097 177.195 176.117 -0.032 0.000 1.216 51 I CA 0.782 62.056 61.300 -0.042 0.000 1.438 51 I CB -0.025 37.915 38.000 -0.100 0.000 1.342 51 I HN 0.798 nan 8.210 nan 0.000 0.577 52 G N 4.838 113.606 108.800 -0.054 0.000 2.258 52 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.233 52 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.233 52 G C 0.108 174.993 174.900 -0.024 0.000 1.006 52 G CA -0.006 45.069 45.100 -0.041 0.000 0.620 52 G HN 0.641 nan 8.290 nan 0.000 0.511 53 L N 2.252 123.472 121.223 -0.006 0.000 2.305 53 L HA 0.371 4.710 4.340 -0.001 0.000 0.281 53 L C -0.476 176.388 176.870 -0.010 0.000 1.085 53 L CA -1.409 53.429 54.840 -0.004 0.000 0.813 53 L CB 1.303 43.363 42.059 0.003 0.000 1.157 53 L HN 0.049 nan 8.230 nan 0.000 0.436 54 P HA 0.023 nan 4.420 nan 0.000 0.255 54 P C -0.285 177.005 177.300 -0.017 0.000 1.248 54 P CA 0.370 63.450 63.100 -0.033 0.000 0.807 54 P CB 0.341 32.005 31.700 -0.061 0.000 1.150 55 V N -2.883 117.030 119.914 -0.002 0.000 2.789 55 V HA 0.512 4.632 4.120 -0.001 0.000 0.311 55 V C -0.251 175.838 176.094 -0.009 0.000 1.073 55 V CA -1.476 60.846 62.300 0.037 0.000 0.921 55 V CB 2.331 34.208 31.823 0.090 0.000 1.009 55 V HN -0.235 nan 8.190 nan 0.000 0.426 56 I N 4.173 124.755 120.570 0.021 0.000 2.363 56 I HA 0.382 4.552 4.170 -0.001 0.000 0.292 56 I C 1.535 177.619 176.117 -0.055 0.000 1.075 56 I CA -0.147 61.148 61.300 -0.008 0.000 1.333 56 I CB 0.937 38.938 38.000 0.002 0.000 1.415 56 I HN 0.739 nan 8.210 nan 0.000 0.502 57 R N 4.251 124.666 120.500 -0.141 0.000 2.093 57 R HA 0.025 4.364 4.340 -0.001 0.000 0.224 57 R C -0.081 176.044 176.300 -0.292 0.000 1.101 57 R CA 1.169 57.047 56.100 -0.370 0.000 0.979 57 R CB 0.047 30.047 30.300 -0.499 0.000 0.877 57 R HN 0.381 nan 8.270 nan 0.000 0.441 58 F N 0.868 120.814 119.950 -0.007 0.000 2.318 58 F HA 0.427 4.953 4.527 -0.001 0.000 0.356 58 F C 0.153 176.054 175.800 0.167 0.000 1.109 58 F CA -0.770 57.292 58.000 0.102 0.000 1.234 58 F CB 0.996 40.048 39.000 0.088 0.000 1.545 58 F HN -0.051 nan 8.300 nan 0.000 0.534 59 A N 2.937 125.928 122.820 0.285 0.000 2.350 59 A HA 0.972 5.292 4.320 -0.001 0.000 0.318 59 A C -1.157 176.665 177.584 0.396 0.000 1.132 59 A CA -0.583 51.610 52.037 0.260 0.000 0.811 59 A CB 1.642 20.724 19.000 0.137 0.000 1.313 59 A HN 0.565 nan 8.150 nan 0.000 0.454 60 F N -0.358 119.736 119.950 0.240 0.000 2.741 60 F HA 0.759 5.285 4.527 -0.001 0.000 0.311 60 F C -0.839 175.093 175.800 0.219 0.000 1.149 60 F CA -0.921 57.225 58.000 0.242 0.000 0.930 60 F CB 0.951 40.093 39.000 0.237 0.000 1.312 60 F HN 0.775 nan 8.300 nan 0.000 0.450 61 N N -0.823 118.112 118.700 0.392 0.000 3.522 61 N HA 0.243 4.983 4.740 -0.001 0.000 0.328 61 N C -0.152 175.562 175.510 0.339 0.000 1.623 61 N CA -0.687 52.503 53.050 0.232 0.000 0.812 61 N CB 0.190 38.783 38.487 0.177 0.000 2.008 61 N HN 0.515 nan 8.380 nan 0.000 0.601 62 Q N -0.568 119.368 119.800 0.227 0.000 2.364 62 Q HA 0.025 4.365 4.340 -0.001 0.000 0.207 62 Q C 0.176 176.335 176.000 0.264 0.000 0.970 62 Q CA 1.032 56.960 55.803 0.207 0.000 0.888 62 Q CB 0.023 28.842 28.738 0.135 0.000 0.951 62 Q HN 0.488 nan 8.270 nan 0.000 0.469 66 I N -2.227 118.429 120.570 0.144 0.000 3.191 66 I HA 0.962 5.131 4.170 -0.001 0.000 0.313 66 I C -0.714 175.499 176.117 0.161 0.000 1.193 66 I CA -1.020 60.355 61.300 0.126 0.000 0.968 66 I CB 2.380 40.476 38.000 0.160 0.000 1.262 66 I HN 0.730 nan 8.210 nan 0.000 0.456 67 T N 0.942 115.562 114.554 0.111 0.000 2.821 67 T HA 0.507 4.856 4.350 -0.001 0.000 0.306 67 T C -1.611 173.047 174.700 -0.070 0.000 1.313 67 T CA -0.682 61.459 62.100 0.068 0.000 1.012 67 T CB 1.781 70.811 68.868 0.269 0.000 1.298 67 T HN 0.846 nan 8.240 nan 0.000 0.502 68 N N 0.997 119.567 118.700 -0.216 0.000 2.321 68 N HA 0.689 5.429 4.740 -0.001 0.000 0.290 68 N C -1.237 174.311 175.510 0.063 0.000 1.212 68 N CA -0.648 52.301 53.050 -0.168 0.000 0.767 68 N CB 2.350 40.496 38.487 -0.568 0.000 1.494 68 N HN 0.848 nan 8.380 nan 0.000 0.479 69 T N -3.224 111.384 114.554 0.090 0.000 2.894 69 T HA 0.350 4.700 4.350 -0.001 0.000 0.309 69 T C -0.594 174.240 174.700 0.222 0.000 1.208 69 T CA -0.660 61.520 62.100 0.134 0.000 1.016 69 T CB 0.929 69.863 68.868 0.109 0.000 1.192 69 T HN 0.092 nan 8.240 nan 0.000 0.491 70 V N 3.789 123.839 119.914 0.227 0.000 2.572 70 V HA 0.227 4.347 4.120 -0.001 0.000 0.291 70 V C 1.103 177.271 176.094 0.124 0.000 1.039 70 V CA -0.016 62.431 62.300 0.245 0.000 1.055 70 V CB 0.382 32.322 31.823 0.195 0.000 0.969 70 V HN 1.046 nan 8.190 nan 0.000 0.482 71 N N 3.496 122.215 118.700 0.032 0.000 2.184 71 N HA 0.217 4.957 4.740 -0.001 0.000 0.206 71 N C 0.669 176.154 175.510 -0.042 0.000 1.151 71 N CA 0.466 53.486 53.050 -0.050 0.000 0.878 71 N CB 0.549 38.805 38.487 -0.385 0.000 1.014 71 N HN 0.905 nan 8.380 nan 0.000 0.512 75 G N 1.457 110.210 108.800 -0.079 0.000 3.284 75 G HA2 0.632 4.592 3.960 -0.001 0.000 0.236 75 G HA3 0.632 4.592 3.960 -0.001 0.000 0.236 75 G C 0.320 175.208 174.900 -0.019 0.000 1.158 75 G CA 0.688 45.717 45.100 -0.120 0.000 0.774 75 G HN 1.112 nan 8.290 nan 0.000 0.545 76 A N -0.566 122.289 122.820 0.059 0.000 2.515 76 A HA 0.807 5.127 4.320 -0.001 0.000 0.298 76 A C -0.733 176.992 177.584 0.235 0.000 1.059 76 A CA -0.449 51.710 52.037 0.204 0.000 0.698 76 A CB 1.617 20.692 19.000 0.124 0.000 1.289 76 A HN 0.038 nan 8.150 nan 0.000 0.404 77 T N 1.785 116.544 114.554 0.341 0.000 2.841 77 T HA 0.416 4.766 4.350 -0.001 0.000 0.285 77 T C -0.551 174.118 174.700 -0.052 0.000 0.991 77 T CA -0.372 61.815 62.100 0.146 0.000 0.966 77 T CB 0.889 69.892 68.868 0.225 0.000 0.962 77 T HN 0.640 nan 8.240 nan 0.000 0.438 78 N N 1.923 120.522 118.700 -0.169 0.000 2.422 78 N HA 0.430 5.169 4.740 -0.001 0.000 0.266 78 N C -1.340 174.005 175.510 -0.276 0.000 1.007 78 N CA -0.504 52.471 53.050 -0.124 0.000 0.941 78 N CB 0.875 39.305 38.487 -0.095 0.000 1.115 78 N HN 0.502 nan 8.380 nan 0.000 0.492 79 Y N 0.762 120.995 120.300 -0.112 0.000 2.360 79 Y HA 0.316 4.866 4.550 -0.001 0.000 0.337 79 Y C 0.523 176.318 175.900 -0.176 0.000 1.039 79 Y CA -0.931 57.048 58.100 -0.201 0.000 1.109 79 Y CB 1.078 39.275 38.460 -0.440 0.000 1.201 79 Y HN 0.283 nan 8.280 nan 0.000 0.458 80 R N 4.608 125.115 120.500 0.011 0.000 2.216 80 R HA 0.384 4.723 4.340 -0.001 0.000 0.332 80 R C -1.293 175.034 176.300 0.044 0.000 1.056 80 R CA -0.204 55.903 56.100 0.011 0.000 0.901 80 R CB 0.075 30.371 30.300 -0.007 0.000 1.039 80 R HN 0.783 nan 8.270 nan 0.000 0.456 81 L N 3.176 124.429 121.223 0.050 0.000 2.399 81 L HA 0.304 4.644 4.340 -0.001 0.000 0.266 81 L C 0.278 177.232 176.870 0.140 0.000 1.114 81 L CA -0.489 54.412 54.840 0.102 0.000 0.804 81 L CB 1.827 43.955 42.059 0.114 0.000 1.146 81 L HN 0.600 nan 8.230 nan 0.000 0.451 82 T N 3.830 118.495 114.554 0.186 0.000 2.853 82 T HA 0.425 4.774 4.350 -0.001 0.000 0.317 82 T C 0.038 174.849 174.700 0.185 0.000 1.059 82 T CA -0.446 61.748 62.100 0.157 0.000 0.954 82 T CB 0.160 69.112 68.868 0.140 0.000 0.994 82 T HN 0.256 nan 8.240 nan 0.000 0.479 83 L N 3.834 125.162 121.223 0.175 0.000 2.367 83 L HA 0.497 4.837 4.340 -0.001 0.000 0.275 83 L C 0.365 177.315 176.870 0.133 0.000 1.129 83 L CA -0.125 54.835 54.840 0.200 0.000 0.839 83 L CB 0.605 42.780 42.059 0.193 0.000 1.133 83 L HN 0.561 nan 8.230 nan 0.000 0.453 84 Q N 2.363 122.234 119.800 0.118 0.000 2.438 84 Q HA 0.113 4.452 4.340 -0.001 0.000 0.272 84 Q C -1.340 174.689 176.000 0.048 0.000 0.994 84 Q CA -0.691 55.152 55.803 0.067 0.000 0.887 84 Q CB 1.847 30.608 28.738 0.040 0.000 1.432 84 Q HN 0.681 nan 8.270 nan 0.000 0.392 85 D N 2.618 123.043 120.400 0.041 0.000 2.692 85 D HA -0.229 4.411 4.640 -0.001 0.000 0.233 85 D C 0.700 177.026 176.300 0.045 0.000 1.172 85 D CA 1.961 55.979 54.000 0.030 0.000 0.636 85 D CB -1.293 39.510 40.800 0.004 0.000 1.028 85 D HN 1.105 nan 8.370 nan 0.000 0.419 86 G N -1.748 107.104 108.800 0.087 0.000 2.184 86 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.264 86 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.264 86 G C 0.674 175.696 174.900 0.202 0.000 0.975 86 G CA 0.760 45.939 45.100 0.131 0.000 0.642 86 G HN 1.021 nan 8.290 nan 0.000 0.536 87 G N -0.982 107.891 108.800 0.123 0.000 3.195 87 G HA2 0.832 4.792 3.960 -0.001 0.000 0.217 87 G HA3 0.832 4.792 3.960 -0.001 0.000 0.217 87 G C -0.851 174.015 174.900 -0.057 0.000 1.166 87 G CA -0.104 44.961 45.100 -0.059 0.000 0.812 87 G HN 1.358 nan 8.290 nan 0.000 0.617 88 Y N -1.321 118.742 120.300 -0.395 0.000 2.492 88 Y HA 0.756 5.305 4.550 -0.001 0.000 0.346 88 Y C -0.909 174.948 175.900 -0.073 0.000 0.997 88 Y CA -1.815 56.170 58.100 -0.192 0.000 1.025 88 Y CB 1.552 39.854 38.460 -0.264 0.000 1.263 88 Y HN 0.460 nan 8.280 nan 0.000 0.454 89 L N 4.769 126.023 121.223 0.051 0.000 2.418 89 L HA 0.327 4.667 4.340 -0.001 0.000 0.274 89 L C -1.465 175.498 176.870 0.156 0.000 1.135 89 L CA 0.046 54.902 54.840 0.026 0.000 0.870 89 L CB -0.370 41.728 42.059 0.066 0.000 1.154 89 L HN 0.741 nan 8.230 nan 0.000 0.462 90 Y N 4.466 124.694 120.300 -0.119 0.000 2.332 90 Y HA 0.295 4.844 4.550 -0.001 0.000 0.325 90 Y C -0.107 175.759 175.900 -0.056 0.000 1.054 90 Y CA -1.083 56.993 58.100 -0.040 0.000 1.119 90 Y CB 0.858 39.255 38.460 -0.106 0.000 1.168 90 Y HN 0.778 nan 8.280 nan 0.000 0.439 91 D N 4.405 124.611 120.400 -0.324 0.000 2.708 91 D HA -0.172 4.468 4.640 -0.001 0.000 0.236 91 D C 1.177 177.406 176.300 -0.118 0.000 1.146 91 D CA 2.169 56.010 54.000 -0.265 0.000 0.662 91 D CB -1.105 39.492 40.800 -0.338 0.000 1.059 91 D HN 1.287 nan 8.370 nan 0.000 0.428 92 G N -0.826 107.932 108.800 -0.070 0.000 2.162 92 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.260 92 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.260 92 G C 0.216 175.090 174.900 -0.042 0.000 0.976 92 G CA 0.798 45.873 45.100 -0.043 0.000 0.655 92 G HN 0.546 nan 8.290 nan 0.000 0.533 93 Q N -1.173 118.596 119.800 -0.051 0.000 2.451 93 Q HA 0.631 4.971 4.340 -0.001 0.000 0.281 93 Q C -0.523 175.410 176.000 -0.112 0.000 1.099 93 Q CA -1.052 54.711 55.803 -0.067 0.000 0.806 93 Q CB 2.955 31.655 28.738 -0.064 0.000 1.419 93 Q HN 0.125 nan 8.270 nan 0.000 0.427 94 V N 2.605 122.439 119.914 -0.132 0.000 2.408 94 V HA 0.276 4.395 4.120 -0.001 0.000 0.267 94 V C -0.089 175.819 176.094 -0.310 0.000 1.047 94 V CA -0.303 61.875 62.300 -0.204 0.000 0.937 94 V CB 0.503 32.249 31.823 -0.128 0.000 0.999 94 V HN 0.516 nan 8.190 nan 0.000 0.472 95 R N 6.378 126.513 120.500 -0.607 0.000 2.474 95 R HA 0.515 4.855 4.340 -0.001 0.000 0.295 95 R C -2.608 173.315 176.300 -0.628 0.000 0.980 95 R CA -2.402 53.276 56.100 -0.704 0.000 0.934 95 R CB 1.972 31.595 30.300 -1.129 0.000 1.101 95 R HN 0.405 nan 8.270 nan 0.000 0.469 96 P HA 0.234 nan 4.420 nan 0.000 0.282 96 P C -0.670 176.613 177.300 -0.028 0.000 1.249 96 P CA -0.314 62.706 63.100 -0.135 0.000 0.806 96 P CB 0.578 32.248 31.700 -0.051 0.000 0.984 97 F N 0.705 120.739 119.950 0.140 0.000 2.399 97 F HA 0.199 4.725 4.527 -0.001 0.000 0.342 97 F C 1.542 177.362 175.800 0.034 0.000 1.106 97 F CA -0.068 57.995 58.000 0.106 0.000 1.196 97 F CB 0.755 39.788 39.000 0.055 0.000 1.163 97 F HN 0.251 nan 8.300 nan 0.000 0.547 98 E N 4.458 124.785 120.200 0.212 0.000 2.249 98 E HA 0.304 4.653 4.350 -0.001 0.000 0.280 98 E C -0.883 175.763 176.600 0.077 0.000 1.016 98 E CA -0.591 55.867 56.400 0.097 0.000 0.830 98 E CB 0.995 30.723 29.700 0.047 0.000 1.081 98 E HN 0.656 nan 8.360 nan 0.000 0.395 99 R N 2.899 123.423 120.500 0.040 0.000 2.579 99 R HA 0.554 4.894 4.340 -0.001 0.000 0.260 99 R C -3.147 173.149 176.300 -0.006 0.000 1.103 99 R CA -1.740 54.362 56.100 0.003 0.000 0.942 99 R CB 0.436 30.732 30.300 -0.007 0.000 1.251 99 R HN 0.221 nan 8.270 nan 0.000 0.450 100 P HA 0.432 nan 4.420 nan 0.000 0.298 100 P C -1.152 176.135 177.300 -0.021 0.000 1.341 100 P CA -0.835 62.256 63.100 -0.016 0.000 0.988 100 P CB 1.505 33.196 31.700 -0.014 0.000 1.265 101 Q N 0.912 120.703 119.800 -0.015 0.000 2.430 101 Q HA 0.637 4.976 4.340 -0.001 0.000 0.245 101 Q C -0.252 175.743 176.000 -0.007 0.000 1.021 101 Q CA -0.207 55.587 55.803 -0.015 0.000 0.867 101 Q CB 1.413 30.142 28.738 -0.015 0.000 1.210 101 Q HN 0.526 nan 8.270 nan 0.000 0.487 102 A N 1.755 124.575 122.820 0.001 0.000 2.326 102 A HA 0.856 5.175 4.320 -0.001 0.000 0.303 102 A C -0.239 177.363 177.584 0.029 0.000 1.164 102 A CA -0.500 51.549 52.037 0.020 0.000 0.929 102 A CB 1.521 20.541 19.000 0.034 0.000 1.363 102 A HN 0.537 nan 8.150 nan 0.000 0.498 103 S N -2.142 113.592 115.700 0.056 0.000 2.552 103 S HA 0.633 5.102 4.470 -0.001 0.000 0.272 103 S C -1.682 172.982 174.600 0.106 0.000 1.150 103 S CA -0.439 57.774 58.200 0.023 0.000 0.849 103 S CB 0.958 64.138 63.200 -0.034 0.000 1.113 103 S HN 1.616 nan 8.310 nan 0.000 0.458 104 Y N 0.705 120.996 120.300 -0.015 0.000 2.615 104 Y HA 0.775 5.324 4.550 -0.001 0.000 0.341 104 Y C -0.773 175.120 175.900 -0.011 0.000 1.089 104 Y CA -1.269 56.824 58.100 -0.012 0.000 1.049 104 Y CB 0.854 39.308 38.460 -0.011 0.000 1.296 104 Y HN 0.601 nan 8.280 nan 0.000 0.470 105 R N 1.645 122.231 120.500 0.142 0.000 2.474 105 R HA 0.603 4.943 4.340 -0.001 0.000 0.295 105 R C -1.723 174.666 176.300 0.148 0.000 0.980 105 R CA -1.111 55.018 56.100 0.048 0.000 0.934 105 R CB 2.078 32.402 30.300 0.040 0.000 1.101 105 R HN 0.741 nan 8.270 nan 0.000 0.469 106 L N 2.931 124.189 121.223 0.059 0.000 2.319 106 L HA 0.374 4.714 4.340 -0.001 0.000 0.281 106 L C -0.454 176.444 176.870 0.046 0.000 1.005 106 L CA -0.753 54.146 54.840 0.098 0.000 0.828 106 L CB 1.224 43.334 42.059 0.085 0.000 1.227 106 L HN 0.378 nan 8.230 nan 0.000 0.415 107 R N 3.280 123.808 120.500 0.047 0.000 2.489 107 R HA 0.270 4.610 4.340 -0.001 0.000 0.287 107 R C -0.380 175.930 176.300 0.018 0.000 1.053 107 R CA 0.210 56.325 56.100 0.024 0.000 1.036 107 R CB 0.350 30.663 30.300 0.021 0.000 0.966 107 R HN 0.608 nan 8.270 nan 0.000 0.432 108 Q N 2.710 122.515 119.800 0.008 0.000 2.212 108 Q HA 0.300 4.640 4.340 -0.001 0.000 0.238 108 Q C 0.825 176.826 176.000 0.003 0.000 0.955 108 Q CA 0.180 55.986 55.803 0.005 0.000 0.906 108 Q CB 1.273 30.011 28.738 -0.001 0.000 1.215 108 Q HN 0.765 nan 8.270 nan 0.000 0.478 109 A N 1.413 124.234 122.820 0.002 0.000 1.940 109 A HA -0.216 4.104 4.320 -0.001 0.000 0.219 109 A C 1.166 178.749 177.584 -0.002 0.000 1.176 109 A CA 2.186 54.223 52.037 -0.000 0.000 0.631 109 A CB -0.478 18.521 19.000 -0.001 0.000 0.814 109 A HN 0.788 nan 8.150 nan 0.000 0.446 110 D N -2.332 118.066 120.400 -0.002 0.000 2.363 110 D HA 0.272 4.911 4.640 -0.001 0.000 0.226 110 D C 1.174 177.472 176.300 -0.003 0.000 1.020 110 D CA 1.068 55.066 54.000 -0.003 0.000 0.892 110 D CB -0.502 40.295 40.800 -0.004 0.000 0.900 110 D HN 0.817 nan 8.370 nan 0.000 0.531 111 G N -0.287 108.512 108.800 -0.002 0.000 2.213 111 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.236 111 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.236 111 G C 0.598 175.497 174.900 -0.002 0.000 0.991 111 G CA 0.464 45.563 45.100 -0.002 0.000 0.629 111 G HN 0.785 nan 8.290 nan 0.000 0.517 112 T N -0.782 113.770 114.554 -0.003 0.000 2.810 112 T HA 0.710 5.060 4.350 -0.001 0.000 0.277 112 T C 0.401 175.100 174.700 -0.002 0.000 0.973 112 T CA 0.776 62.873 62.100 -0.004 0.000 0.949 112 T CB 1.780 70.644 68.868 -0.006 0.000 1.075 112 T HN 1.412 nan 8.240 nan 0.000 0.537 113 T N -1.984 112.567 114.554 -0.005 0.000 2.906 113 T HA 0.694 5.044 4.350 -0.001 0.000 0.295 113 T C -0.365 174.324 174.700 -0.019 0.000 1.075 113 T CA -0.638 61.458 62.100 -0.006 0.000 1.005 113 T CB 1.298 70.166 68.868 -0.000 0.000 1.136 113 T HN 1.324 nan 8.240 nan 0.000 0.498 114 V N -1.419 118.477 119.914 -0.030 0.000 2.914 114 V HA 0.712 4.831 4.120 -0.001 0.000 0.314 114 V C -1.246 174.795 176.094 -0.087 0.000 1.084 114 V CA -1.066 61.203 62.300 -0.051 0.000 0.963 114 V CB 1.981 33.773 31.823 -0.051 0.000 1.025 114 V HN 0.924 nan 8.190 nan 0.000 0.432 115 D N 2.450 122.790 120.400 -0.101 0.000 2.225 115 D HA 0.467 5.107 4.640 -0.001 0.000 0.248 115 D C -0.461 175.709 176.300 -0.216 0.000 1.096 115 D CA -0.055 53.857 54.000 -0.148 0.000 0.863 115 D CB 1.812 42.551 40.800 -0.102 0.000 1.156 115 D HN 0.603 nan 8.370 nan 0.000 0.450 116 K N 2.751 122.918 120.400 -0.388 0.000 2.376 116 K HA 0.435 4.755 4.320 -0.001 0.000 0.257 116 K C -2.622 173.727 176.600 -0.419 0.000 0.939 116 K CA -1.718 54.297 56.287 -0.454 0.000 0.809 116 K CB 2.410 34.491 32.500 -0.698 0.000 1.121 116 K HN 0.070 nan 8.250 nan 0.000 0.425 117 P HA 0.198 nan 4.420 nan 0.000 0.274 117 P C -1.304 175.966 177.300 -0.049 0.000 1.231 117 P CA -0.649 62.385 63.100 -0.111 0.000 0.790 117 P CB 0.572 32.228 31.700 -0.073 0.000 0.951 118 L N 1.055 122.287 121.223 0.015 0.000 2.555 118 L HA 0.328 4.667 4.340 -0.001 0.000 0.264 118 L C -0.590 176.285 176.870 0.008 0.000 0.972 118 L CA -0.451 54.430 54.840 0.068 0.000 0.876 118 L CB 1.349 43.532 42.059 0.206 0.000 1.216 118 L HN 0.267 nan 8.230 nan 0.000 0.415 119 E N 4.994 125.175 120.200 -0.030 0.000 2.229 119 E HA 0.410 4.759 4.350 -0.001 0.000 0.283 119 E C -1.032 175.507 176.600 -0.101 0.000 1.030 119 E CA -0.405 55.958 56.400 -0.061 0.000 0.836 119 E CB 0.856 30.511 29.700 -0.076 0.000 1.068 119 E HN 0.658 nan 8.360 nan 0.000 0.401 120 I N 5.526 126.036 120.570 -0.099 0.000 2.328 120 I HA 0.338 4.508 4.170 -0.001 0.000 0.287 120 I C 0.126 176.157 176.117 -0.144 0.000 1.012 120 I CA -0.518 60.697 61.300 -0.141 0.000 1.195 120 I CB 1.162 39.103 38.000 -0.099 0.000 1.350 120 I HN 0.378 nan 8.210 nan 0.000 0.464 121 R N 4.041 124.412 120.500 -0.216 0.000 2.664 121 R HA 0.739 5.079 4.340 -0.001 0.000 0.286 121 R C -0.915 175.302 176.300 -0.138 0.000 0.967 121 R CA -0.720 55.265 56.100 -0.191 0.000 0.933 121 R CB 2.365 32.425 30.300 -0.399 0.000 1.146 121 R HN 0.488 nan 8.270 nan 0.000 0.468 122 S N 0.454 116.161 115.700 0.011 0.000 2.547 122 S HA 0.346 4.815 4.470 -0.001 0.000 0.281 122 S C -0.552 174.118 174.600 0.116 0.000 1.118 122 S CA -0.815 57.404 58.200 0.031 0.000 0.947 122 S CB 1.967 65.161 63.200 -0.009 0.000 1.053 122 S HN 0.713 nan 8.310 nan 0.000 0.482 123 S N 0.793 116.487 115.700 -0.010 0.000 2.718 123 S HA 0.466 4.936 4.470 -0.001 0.000 0.292 123 S C 1.620 176.067 174.600 -0.255 0.000 1.125 123 S CA -0.212 57.804 58.200 -0.307 0.000 1.013 123 S CB 0.084 62.839 63.200 -0.742 0.000 1.192 123 S HN 0.862 nan 8.310 nan 0.000 0.535 124 V N -0.783 118.884 119.914 -0.411 0.000 2.594 124 V HA -0.138 3.982 4.120 -0.001 0.000 0.253 124 V C 1.953 177.749 176.094 -0.497 0.000 1.069 124 V CA 1.989 64.013 62.300 -0.461 0.000 1.082 124 V CB -2.001 29.419 31.823 -0.672 0.000 0.680 124 V HN 0.888 nan 8.190 nan 0.000 0.469 125 H N 1.599 120.419 119.070 -0.417 0.000 2.307 125 H HA 0.523 5.079 4.556 -0.001 0.000 0.303 125 H C 1.326 176.526 175.328 -0.214 0.000 1.073 125 H CA 1.287 57.085 56.048 -0.415 0.000 1.338 125 H CB -0.347 29.087 29.762 -0.545 0.000 1.389 125 H HN 0.751 nan 8.280 nan 0.000 0.503 126 G N -1.415 107.389 108.800 0.007 0.000 2.336 126 G HA2 0.196 4.155 3.960 -0.001 0.000 0.286 126 G HA3 0.196 4.155 3.960 -0.001 0.000 0.286 126 G C -2.847 172.072 174.900 0.032 0.000 1.269 126 G CA -1.178 43.937 45.100 0.025 0.000 0.873 126 G HN -0.106 nan 8.290 nan 0.000 0.494 127 P HA 0.351 nan 4.420 nan 0.000 0.265 127 P C -0.219 177.049 177.300 -0.053 0.000 1.187 127 P CA -0.121 62.954 63.100 -0.041 0.000 0.766 127 P CB 0.965 32.664 31.700 -0.002 0.000 0.820 128 V N 4.382 124.142 119.914 -0.258 0.000 2.483 128 V HA 0.467 4.587 4.120 -0.001 0.000 0.295 128 V C -0.084 175.737 176.094 -0.454 0.000 1.035 128 V CA -0.046 62.127 62.300 -0.212 0.000 0.896 128 V CB 0.513 32.194 31.823 -0.238 0.000 0.986 128 V HN 0.380 nan 8.190 nan 0.000 0.447 129 F N 1.618 121.529 119.950 -0.065 0.000 2.611 129 F HA 0.605 5.132 4.527 -0.001 0.000 0.324 129 F C 0.074 175.842 175.800 -0.053 0.000 1.061 129 F CA -0.866 57.099 58.000 -0.057 0.000 0.954 129 F CB 1.895 40.871 39.000 -0.039 0.000 1.301 129 F HN 0.449 nan 8.300 nan 0.000 0.482 130 E N 1.772 122.064 120.200 0.153 0.000 2.218 130 E HA 0.412 4.762 4.350 -0.001 0.000 0.263 130 E C -0.890 175.753 176.600 0.072 0.000 0.879 130 E CA -0.700 55.744 56.400 0.073 0.000 0.762 130 E CB 1.146 30.859 29.700 0.022 0.000 1.166 130 E HN 0.554 nan 8.360 nan 0.000 0.415 131 R N 2.067 122.597 120.500 0.049 0.000 2.707 131 R HA 0.256 4.595 4.340 -0.001 0.000 0.270 131 R C 1.160 177.472 176.300 0.019 0.000 1.083 131 R CA 0.461 56.577 56.100 0.026 0.000 1.182 131 R CB 0.602 30.907 30.300 0.010 0.000 1.084 131 R HN 0.712 nan 8.270 nan 0.000 0.528 132 A N 1.672 124.498 122.820 0.011 0.000 1.948 132 A HA -0.235 4.084 4.320 -0.001 0.000 0.220 132 A C 1.340 178.928 177.584 0.007 0.000 1.177 132 A CA 2.176 54.218 52.037 0.008 0.000 0.636 132 A CB -0.643 18.359 19.000 0.003 0.000 0.815 132 A HN 0.886 nan 8.150 nan 0.000 0.449 133 D N -2.295 118.108 120.400 0.005 0.000 2.363 133 D HA 0.286 4.926 4.640 -0.001 0.000 0.226 133 D C 1.149 177.454 176.300 0.009 0.000 1.020 133 D CA 1.015 55.018 54.000 0.005 0.000 0.892 133 D CB -0.584 40.217 40.800 0.002 0.000 0.900 133 D HN 0.858 nan 8.370 nan 0.000 0.531 134 G N -0.853 107.955 108.800 0.013 0.000 2.175 134 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.244 134 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.244 134 G C 0.377 175.290 174.900 0.022 0.000 0.982 134 G CA 0.196 45.306 45.100 0.017 0.000 0.641 134 G HN 0.449 nan 8.290 nan 0.000 0.527 135 T N 1.484 116.050 114.554 0.020 0.000 2.888 135 T HA 0.536 4.885 4.350 -0.001 0.000 0.301 135 T C 0.635 175.356 174.700 0.035 0.000 1.001 135 T CA 0.680 62.795 62.100 0.024 0.000 1.147 135 T CB 1.590 70.466 68.868 0.013 0.000 0.931 135 T HN 1.371 nan 8.240 nan 0.000 0.541 136 A N 3.623 126.470 122.820 0.044 0.000 2.269 136 A HA 0.614 4.934 4.320 -0.001 0.000 0.302 136 A C -0.281 177.336 177.584 0.055 0.000 1.266 136 A CA -0.586 51.483 52.037 0.053 0.000 0.894 136 A CB 0.306 19.350 19.000 0.073 0.000 1.147 136 A HN 0.687 nan 8.150 nan 0.000 0.537 137 V N 1.822 121.780 119.914 0.072 0.000 2.588 137 V HA 0.721 4.841 4.120 -0.001 0.000 0.304 137 V C 0.317 176.484 176.094 0.122 0.000 1.042 137 V CA -0.424 61.921 62.300 0.075 0.000 0.877 137 V CB 1.657 33.517 31.823 0.061 0.000 0.996 137 V HN 1.142 nan 8.190 nan 0.000 0.425 138 A N 3.722 126.590 122.820 0.079 0.000 2.303 138 A HA 0.800 5.119 4.320 -0.001 0.000 0.320 138 A C -0.735 176.968 177.584 0.198 0.000 1.192 138 A CA -0.605 51.493 52.037 0.103 0.000 0.821 138 A CB 1.631 20.599 19.000 -0.054 0.000 1.188 138 A HN 0.936 nan 8.150 nan 0.000 0.492 139 V N 3.713 123.769 119.914 0.237 0.000 2.398 139 V HA 0.600 4.719 4.120 -0.001 0.000 0.286 139 V C 0.061 176.293 176.094 0.230 0.000 1.026 139 V CA -0.697 61.735 62.300 0.220 0.000 0.868 139 V CB 1.238 33.153 31.823 0.154 0.000 0.982 139 V HN 0.901 nan 8.190 nan 0.000 0.443 140 R N 5.373 126.046 120.500 0.287 0.000 2.288 140 R HA 0.637 4.977 4.340 -0.001 0.000 0.326 140 R C -1.626 174.882 176.300 0.347 0.000 0.959 140 R CA -0.446 55.796 56.100 0.237 0.000 0.834 140 R CB 1.554 31.956 30.300 0.170 0.000 1.157 140 R HN 0.620 nan 8.270 nan 0.000 0.470 141 V N 4.114 124.192 119.914 0.274 0.000 2.394 141 V HA 0.482 4.602 4.120 -0.001 0.000 0.282 141 V C 0.500 176.800 176.094 0.343 0.000 1.031 141 V CA -0.765 61.702 62.300 0.279 0.000 0.881 141 V CB 1.321 33.234 31.823 0.150 0.000 0.982 141 V HN 0.923 nan 8.190 nan 0.000 0.451 142 A N 3.449 126.481 122.820 0.354 0.000 2.332 142 A HA 0.639 4.959 4.320 -0.001 0.000 0.258 142 A C 1.355 179.009 177.584 0.118 0.000 1.087 142 A CA 0.348 52.542 52.037 0.262 0.000 0.802 142 A CB 0.050 19.024 19.000 -0.042 0.000 1.042 142 A HN 2.201 nan 8.150 nan 0.000 0.489 143 G N -0.360 108.498 108.800 0.096 0.000 2.198 143 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.260 143 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.260 143 G C 0.411 175.342 174.900 0.052 0.000 1.025 143 G CA 0.501 45.631 45.100 0.050 0.000 0.769 143 G HN 0.782 nan 8.290 nan 0.000 0.507 144 L N 0.172 121.438 121.223 0.071 0.000 2.610 144 L HA 0.143 4.483 4.340 -0.001 0.000 0.232 144 L C 1.635 178.529 176.870 0.041 0.000 1.149 144 L CA 1.137 56.009 54.840 0.055 0.000 0.872 144 L CB -0.013 42.083 42.059 0.062 0.000 0.992 144 L HN 0.433 nan 8.230 nan 0.000 0.447 145 D N -1.250 119.174 120.400 0.041 0.000 2.501 145 D HA 0.017 4.657 4.640 -0.001 0.000 0.226 145 D C 0.379 176.693 176.300 0.022 0.000 1.198 145 D CA -0.229 53.788 54.000 0.030 0.000 0.830 145 D CB 0.267 41.086 40.800 0.031 0.000 1.014 145 D HN -0.041 nan 8.370 nan 0.000 0.496 146 R N 1.786 122.299 120.500 0.021 0.000 2.396 146 R HA 0.267 4.607 4.340 -0.001 0.000 0.292 146 R C -1.879 174.431 176.300 0.017 0.000 1.240 146 R CA -1.239 54.869 56.100 0.014 0.000 1.270 146 R CB 0.940 31.245 30.300 0.009 0.000 1.108 146 R HN 0.115 nan 8.270 nan 0.000 0.573 147 P HA 0.026 nan 4.420 nan 0.000 0.241 147 P C 0.544 177.857 177.300 0.022 0.000 1.191 147 P CA 0.329 63.440 63.100 0.018 0.000 0.771 147 P CB 0.673 32.381 31.700 0.015 0.000 0.929 151 E N 1.009 121.278 120.200 0.115 0.000 2.208 151 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 151 E C 1.818 178.515 176.600 0.162 0.000 0.988 151 E CA 1.451 57.935 56.400 0.141 0.000 0.828 151 E CB 0.299 30.049 29.700 0.082 0.000 0.763 151 E HN 0.409 nan 8.360 nan 0.000 0.478 152 Q N -0.546 119.313 119.800 0.098 0.000 2.050 152 Q HA -0.211 4.129 4.340 -0.001 0.000 0.202 152 Q C 1.708 177.723 176.000 0.025 0.000 0.980 152 Q CA 1.498 57.308 55.803 0.012 0.000 0.840 152 Q CB -0.172 28.525 28.738 -0.068 0.000 0.898 152 Q HN 0.416 nan 8.270 nan 0.000 0.424 153 Y N -0.574 119.762 120.300 0.061 0.000 2.165 153 Y HA -0.273 4.277 4.550 -0.001 0.000 0.286 153 Y C 2.042 177.995 175.900 0.087 0.000 1.155 153 Y CA 1.542 59.683 58.100 0.069 0.000 1.164 153 Y CB -0.210 38.296 38.460 0.076 0.000 0.978 153 Y HN 0.272 nan 8.280 nan 0.000 0.513 154 F N 1.013 121.038 119.950 0.125 0.000 2.095 154 F HA -0.181 4.346 4.527 -0.001 0.000 0.298 154 F C 1.256 177.039 175.800 -0.030 0.000 1.104 154 F CA 1.179 59.178 58.000 -0.001 0.000 1.232 154 F CB -0.584 38.380 39.000 -0.059 0.000 0.987 154 F HN -0.065 nan 8.300 nan 0.000 0.475 158 T N -0.527 113.924 114.554 -0.172 0.000 3.200 158 T HA 0.708 5.058 4.350 -0.001 0.000 0.284 158 T C 0.711 175.363 174.700 -0.079 0.000 1.009 158 T CA 0.378 62.353 62.100 -0.208 0.000 0.907 158 T CB 0.286 68.809 68.868 -0.576 0.000 1.120 158 T HN 0.466 nan 8.240 nan 0.000 0.534 159 A N 1.268 124.098 122.820 0.016 0.000 2.477 159 A HA 0.340 4.660 4.320 -0.001 0.000 0.246 159 A C 1.016 178.654 177.584 0.090 0.000 1.078 159 A CA -0.280 51.800 52.037 0.070 0.000 0.770 159 A CB 0.131 19.234 19.000 0.172 0.000 1.011 159 A HN 0.363 nan 8.150 nan 0.000 0.494 160 D N 0.241 120.685 120.400 0.073 0.000 2.355 160 D HA 0.073 4.712 4.640 -0.001 0.000 0.218 160 D C 0.508 176.867 176.300 0.098 0.000 1.004 160 D CA 1.456 55.504 54.000 0.079 0.000 0.880 160 D CB 0.101 40.938 40.800 0.061 0.000 0.911 160 D HN 0.658 nan 8.370 nan 0.000 0.528 161 S N -1.441 114.333 115.700 0.123 0.000 2.587 161 S HA 0.178 4.648 4.470 -0.001 0.000 0.269 161 S C 0.234 174.958 174.600 0.207 0.000 1.154 161 S CA -0.839 57.454 58.200 0.155 0.000 0.824 161 S CB 0.680 63.944 63.200 0.106 0.000 1.118 161 S HN -0.129 nan 8.310 nan 0.000 0.462 162 F N 1.779 121.765 119.950 0.060 0.000 2.134 162 F HA 0.001 4.528 4.527 -0.001 0.000 0.299 162 F C 1.722 177.510 175.800 -0.020 0.000 1.097 162 F CA 2.053 60.021 58.000 -0.054 0.000 1.264 162 F CB -0.538 38.403 39.000 -0.099 0.000 1.001 162 F HN 0.704 nan 8.300 nan 0.000 0.479 163 D N 0.345 120.702 120.400 -0.072 0.000 2.123 163 D HA -0.192 4.447 4.640 -0.001 0.000 0.196 163 D C 1.880 178.073 176.300 -0.179 0.000 0.992 163 D CA 1.649 55.544 54.000 -0.175 0.000 0.833 163 D CB -0.474 40.299 40.800 -0.046 0.000 0.954 163 D HN 0.365 nan 8.370 nan 0.000 0.455 164 D N -0.366 119.989 120.400 -0.076 0.000 2.144 164 D HA -0.158 4.482 4.640 -0.001 0.000 0.200 164 D C 1.972 178.216 176.300 -0.094 0.000 0.978 164 D CA 0.529 54.492 54.000 -0.061 0.000 0.833 164 D CB -0.344 40.457 40.800 0.001 0.000 0.961 164 D HN 0.301 nan 8.370 nan 0.000 0.470 165 Y N 2.172 122.347 120.300 -0.207 0.000 2.114 165 Y HA -0.180 4.370 4.550 -0.001 0.000 0.284 165 Y C 2.103 177.799 175.900 -0.339 0.000 1.143 165 Y CA 1.692 59.652 58.100 -0.233 0.000 1.135 165 Y CB -0.177 38.123 38.460 -0.267 0.000 0.980 165 Y HN -0.076 nan 8.280 nan 0.000 0.499 166 E N 0.062 119.894 120.200 -0.613 0.000 2.110 166 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 166 E C 2.353 178.697 176.600 -0.427 0.000 0.988 166 E CA 0.873 56.893 56.400 -0.633 0.000 0.804 166 E CB -0.326 28.990 29.700 -0.640 0.000 0.745 166 E HN 0.606 nan 8.360 nan 0.000 0.458 167 A N 1.617 124.247 122.820 -0.317 0.000 1.902 167 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 167 A C 2.398 179.852 177.584 -0.217 0.000 1.181 167 A CA 1.775 53.683 52.037 -0.214 0.000 0.623 167 A CB -0.543 18.368 19.000 -0.148 0.000 0.818 167 A HN 0.294 nan 8.150 nan 0.000 0.443 168 A N -0.459 122.208 122.820 -0.256 0.000 1.898 168 A HA -0.004 4.315 4.320 -0.001 0.000 0.216 168 A C 2.206 179.612 177.584 -0.297 0.000 1.181 168 A CA 1.368 53.265 52.037 -0.234 0.000 0.620 168 A CB -0.632 18.241 19.000 -0.213 0.000 0.819 168 A HN 0.575 nan 8.150 nan 0.000 0.442 169 L N -0.481 120.465 121.223 -0.461 0.000 2.042 169 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 169 L C 2.658 179.357 176.870 -0.284 0.000 1.076 169 L CA 1.500 56.070 54.840 -0.450 0.000 0.749 169 L CB -0.363 41.319 42.059 -0.629 0.000 0.893 169 L HN 0.400 nan 8.230 nan 0.000 0.432 170 A N -0.134 122.535 122.820 -0.252 0.000 2.178 170 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 170 A C 1.395 178.906 177.584 -0.122 0.000 1.157 170 A CA 0.456 52.394 52.037 -0.165 0.000 0.689 170 A CB -0.471 18.440 19.000 -0.149 0.000 0.787 170 A HN 0.456 nan 8.150 nan 0.000 0.465 174 V N 5.408 125.290 119.914 -0.055 0.000 2.318 174 V HA 0.183 4.302 4.120 -0.001 0.000 0.271 174 V C -1.288 174.774 176.094 -0.052 0.000 1.030 174 V CA -0.909 61.382 62.300 -0.017 0.000 0.844 174 V CB 1.370 33.137 31.823 -0.094 0.000 1.015 174 V HN 0.024 nan 8.190 nan 0.000 0.460 175 P HA -0.015 nan 4.420 nan 0.000 0.234 175 P C 0.551 177.724 177.300 -0.213 0.000 1.167 175 P CA 0.989 64.019 63.100 -0.116 0.000 0.763 175 P CB 0.717 32.363 31.700 -0.090 0.000 0.835 176 T N -2.209 112.159 114.554 -0.310 0.000 2.653 176 T HA 0.538 4.888 4.350 -0.001 0.000 0.306 176 T C -1.773 172.684 174.700 -0.406 0.000 1.426 176 T CA -0.479 61.336 62.100 -0.475 0.000 1.008 176 T CB 0.123 68.587 68.868 -0.674 0.000 1.692 176 T HN -0.063 nan 8.240 nan 0.000 0.483 177 F N -0.012 119.843 119.950 -0.159 0.000 2.182 177 F HA -0.085 4.442 4.527 -0.001 0.000 0.325 177 F C 0.029 175.705 175.800 -0.206 0.000 1.295 177 F CA -0.844 57.081 58.000 -0.125 0.000 0.940 177 F CB -0.254 38.734 39.000 -0.021 0.000 4.103 177 F HN 0.533 nan 8.300 nan 0.000 0.179 178 N N 2.916 121.674 118.700 0.097 0.000 2.499 178 N HA 0.701 5.441 4.740 -0.001 0.000 0.281 178 N C -0.714 174.836 175.510 0.066 0.000 1.098 178 N CA -0.251 52.813 53.050 0.024 0.000 0.979 178 N CB 1.465 40.091 38.487 0.231 0.000 1.121 178 N HN 0.433 nan 8.380 nan 0.000 0.466 179 I N 1.602 122.165 120.570 -0.012 0.000 2.466 179 I HA 0.306 4.476 4.170 -0.001 0.000 0.289 179 I C -0.462 175.734 176.117 0.132 0.000 1.026 179 I CA -0.928 60.413 61.300 0.067 0.000 1.078 179 I CB 2.094 40.136 38.000 0.070 0.000 1.249 179 I HN -0.053 nan 8.210 nan 0.000 0.429 180 V N 6.434 126.472 119.914 0.206 0.000 2.513 180 V HA 0.406 4.526 4.120 -0.001 0.000 0.299 180 V C -1.025 175.216 176.094 0.245 0.000 1.035 180 V CA -0.644 61.817 62.300 0.268 0.000 0.889 180 V CB 1.975 33.980 31.823 0.303 0.000 0.988 180 V HN 0.583 nan 8.190 nan 0.000 0.440 181 Y N 3.519 123.854 120.300 0.059 0.000 2.536 181 Y HA 0.849 5.398 4.550 -0.001 0.000 0.347 181 Y C -0.279 175.549 175.900 -0.119 0.000 1.000 181 Y CA -0.504 57.534 58.100 -0.102 0.000 1.051 181 Y CB 2.013 40.290 38.460 -0.306 0.000 1.259 181 Y HN 0.779 nan 8.280 nan 0.000 0.468 182 A N 3.832 126.178 122.820 -0.791 0.000 2.589 182 A HA 0.608 4.927 4.320 -0.001 0.000 0.296 182 A C -2.080 174.710 177.584 -1.324 0.000 1.062 182 A CA -0.427 51.194 52.037 -0.693 0.000 0.686 182 A CB 1.428 20.246 19.000 -0.303 0.000 1.282 182 A HN 0.825 nan 8.150 nan 0.000 0.404 183 D N -0.575 119.236 120.400 -0.982 0.000 2.610 183 D HA 0.369 5.009 4.640 -0.001 0.000 0.271 183 D C 0.731 176.680 176.300 -0.584 0.000 1.174 183 D CA -0.513 52.887 54.000 -1.000 0.000 0.949 183 D CB 0.660 41.169 40.800 -0.485 0.000 1.430 183 D HN 0.527 nan 8.370 nan 0.000 0.467 184 R N -0.169 120.136 120.500 -0.326 0.000 2.237 184 R HA -0.051 4.288 4.340 -0.001 0.000 0.219 184 R C 0.354 176.633 176.300 -0.035 0.000 1.080 184 R CA 0.901 56.983 56.100 -0.031 0.000 0.995 184 R CB -0.364 29.988 30.300 0.087 0.000 0.875 184 R HN 0.380 nan 8.270 nan 0.000 0.462 185 E N 0.582 120.743 120.200 -0.064 0.000 2.285 185 E HA -0.003 4.347 4.350 -0.001 0.000 0.194 185 E C 1.336 177.907 176.600 -0.048 0.000 0.997 185 E CA 1.013 57.395 56.400 -0.031 0.000 0.845 185 E CB 0.122 29.818 29.700 -0.007 0.000 0.782 185 E HN 0.667 nan 8.360 nan 0.000 0.491 186 G N 0.938 109.686 108.800 -0.086 0.000 2.184 186 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.206 186 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.206 186 G C 0.336 175.171 174.900 -0.109 0.000 0.995 186 G CA 0.185 45.236 45.100 -0.082 0.000 0.651 186 G HN 0.222 nan 8.290 nan 0.000 0.511 187 T N 1.803 116.272 114.554 -0.141 0.000 2.869 187 T HA 0.603 4.952 4.350 -0.001 0.000 0.295 187 T C 0.554 175.157 174.700 -0.162 0.000 0.987 187 T CA 0.584 62.556 62.100 -0.213 0.000 1.109 187 T CB 1.179 69.806 68.868 -0.403 0.000 0.932 187 T HN 0.950 nan 8.240 nan 0.000 0.518 188 I N 1.023 121.506 120.570 -0.144 0.000 2.689 188 I HA 0.745 4.915 4.170 -0.001 0.000 0.299 188 I C -0.756 175.359 176.117 -0.002 0.000 1.059 188 I CA -0.911 60.377 61.300 -0.019 0.000 1.055 188 I CB 2.346 40.355 38.000 0.014 0.000 1.243 188 I HN 0.457 nan 8.210 nan 0.000 0.425 189 N N 3.365 122.153 118.700 0.147 0.000 2.405 189 N HA 0.352 5.091 4.740 -0.001 0.000 0.274 189 N C -2.352 173.337 175.510 0.298 0.000 1.170 189 N CA -0.343 52.827 53.050 0.201 0.000 0.848 189 N CB 3.045 41.679 38.487 0.246 0.000 1.629 189 N HN 0.797 nan 8.380 nan 0.000 0.481 190 Y N 1.260 121.672 120.300 0.186 0.000 2.391 190 Y HA 0.591 5.140 4.550 -0.001 0.000 0.341 190 Y C -1.469 174.549 175.900 0.196 0.000 0.965 190 Y CA -0.308 57.905 58.100 0.188 0.000 1.067 190 Y CB 1.601 40.156 38.460 0.159 0.000 1.199 190 Y HN 0.378 nan 8.280 nan 0.000 0.450 191 S N 6.790 122.048 115.700 -0.736 0.000 2.594 191 S HA 0.311 4.780 4.470 -0.001 0.000 0.296 191 S C -1.496 172.701 174.600 -0.672 0.000 1.124 191 S CA -0.596 57.268 58.200 -0.561 0.000 1.011 191 S CB 0.673 63.768 63.200 -0.175 0.000 1.016 191 S HN 0.627 nan 8.310 nan 0.000 0.485 192 F N 4.570 124.139 119.950 -0.635 0.000 2.509 192 F HA 0.371 4.898 4.527 -0.001 0.000 0.350 192 F C 0.308 175.975 175.800 -0.222 0.000 1.220 192 F CA -0.476 57.319 58.000 -0.341 0.000 1.151 192 F CB -0.306 38.544 39.000 -0.251 0.000 1.379 192 F HN 0.572 nan 8.300 nan 0.000 0.610 193 N N 3.286 121.785 118.700 -0.335 0.000 2.495 193 N HA 0.791 5.531 4.740 -0.001 0.000 0.280 193 N C -0.215 175.122 175.510 -0.288 0.000 1.168 193 N CA 0.464 53.371 53.050 -0.238 0.000 0.978 193 N CB 1.476 39.866 38.487 -0.162 0.000 1.191 193 N HN 0.832 nan 8.380 nan 0.000 0.497 194 G N -0.688 108.003 108.800 -0.183 0.000 2.359 194 G HA2 0.095 4.054 3.960 -0.001 0.000 0.314 194 G HA3 0.095 4.054 3.960 -0.001 0.000 0.314 194 G C -1.858 172.979 174.900 -0.105 0.000 1.364 194 G CA -0.727 44.269 45.100 -0.174 0.000 0.978 194 G HN 0.497 nan 8.290 nan 0.000 0.615 195 V N 1.306 121.159 119.914 -0.103 0.000 2.288 195 V HA 0.629 4.748 4.120 -0.001 0.000 0.266 195 V C 0.805 176.835 176.094 -0.108 0.000 1.048 195 V CA 0.171 62.423 62.300 -0.080 0.000 0.842 195 V CB 0.569 32.348 31.823 -0.073 0.000 1.064 195 V HN 1.561 nan 8.190 nan 0.000 0.472 196 A N 7.786 130.577 122.820 -0.049 0.000 2.260 196 A HA 0.803 5.123 4.320 -0.001 0.000 0.308 196 A C -2.656 174.838 177.584 -0.150 0.000 1.254 196 A CA -1.751 50.260 52.037 -0.044 0.000 0.874 196 A CB 0.679 19.776 19.000 0.161 0.000 1.153 196 A HN 0.562 nan 8.150 nan 0.000 0.527 197 P HA 0.121 nan 4.420 nan 0.000 0.271 197 P C -0.577 176.363 177.300 -0.601 0.000 1.216 197 P CA 0.056 62.662 63.100 -0.822 0.000 0.771 197 P CB 0.524 31.063 31.700 -1.935 0.000 0.864 198 K N 4.068 124.179 120.400 -0.482 0.000 2.312 198 K HA 0.304 4.623 4.320 -0.001 0.000 0.287 198 K C 0.102 176.513 176.600 -0.314 0.000 1.062 198 K CA -0.130 55.916 56.287 -0.402 0.000 0.934 198 K CB 0.634 32.906 32.500 -0.380 0.000 1.027 198 K HN 0.352 nan 8.250 nan 0.000 0.478 199 R N 0.731 120.987 120.500 -0.407 0.000 2.803 199 R HA 0.325 4.664 4.340 -0.001 0.000 0.276 199 R C 0.321 176.694 176.300 0.122 0.000 0.978 199 R CA -0.350 55.568 56.100 -0.302 0.000 0.939 199 R CB 1.502 31.278 30.300 -0.873 0.000 1.179 199 R HN 0.689 nan 8.270 nan 0.000 0.472 200 A N 1.202 124.150 122.820 0.213 0.000 2.195 200 A HA 0.092 4.411 4.320 -0.001 0.000 0.210 200 A C -0.050 177.696 177.584 0.271 0.000 1.165 200 A CA 0.737 52.910 52.037 0.226 0.000 0.806 200 A CB -0.259 18.839 19.000 0.163 0.000 0.847 200 A HN 0.755 nan 8.150 nan 0.000 0.482 201 E N -3.203 117.224 120.200 0.378 0.000 2.437 201 E HA 0.507 4.856 4.350 -0.001 0.000 0.280 201 E C -0.189 176.724 176.600 0.522 0.000 1.044 201 E CA -0.841 55.766 56.400 0.345 0.000 0.826 201 E CB 0.625 30.441 29.700 0.193 0.000 1.358 201 E HN 1.321 nan 8.360 nan 0.000 0.459 202 G N 1.675 110.638 108.800 0.273 0.000 2.879 202 G HA2 0.034 3.993 3.960 -0.001 0.000 0.686 202 G HA3 0.034 3.993 3.960 -0.001 0.000 0.686 202 G C -0.781 174.468 174.900 0.582 0.000 1.115 202 G CA -0.193 45.020 45.100 0.188 0.000 0.770 202 G HN 0.940 nan 8.290 nan 0.000 0.601 203 D N 0.980 121.631 120.400 0.418 0.000 2.451 203 D HA 0.459 5.098 4.640 -0.001 0.000 0.259 203 D C 1.868 178.517 176.300 0.581 0.000 1.201 203 D CA -0.595 53.676 54.000 0.452 0.000 1.028 203 D CB 0.634 41.598 40.800 0.273 0.000 1.095 203 D HN 0.560 nan 8.370 nan 0.000 0.539 204 I N -0.186 120.661 120.570 0.462 0.000 2.208 204 I HA -0.298 3.872 4.170 -0.001 0.000 0.245 204 I C 2.124 178.439 176.117 0.331 0.000 1.097 204 I CA 1.802 63.357 61.300 0.425 0.000 1.363 204 I CB -0.242 37.946 38.000 0.315 0.000 1.051 204 I HN 0.532 nan 8.210 nan 0.000 0.413 205 A N 0.497 123.471 122.820 0.258 0.000 1.908 205 A HA -0.303 4.016 4.320 -0.001 0.000 0.218 205 A C 2.191 179.855 177.584 0.133 0.000 1.181 205 A CA 1.923 54.063 52.037 0.171 0.000 0.627 205 A CB -1.201 17.887 19.000 0.146 0.000 0.818 205 A HN 0.601 nan 8.150 nan 0.000 0.445 206 F N -0.815 119.144 119.950 0.016 0.000 2.069 206 F HA -0.190 4.337 4.527 -0.001 0.000 0.298 206 F C 1.878 177.518 175.800 -0.267 0.000 1.113 206 F CA 1.791 59.688 58.000 -0.173 0.000 1.214 206 F CB -0.554 38.283 39.000 -0.270 0.000 0.978 206 F HN 0.371 nan 8.300 nan 0.000 0.474 207 W N 0.689 122.010 121.300 0.035 0.000 2.699 207 W HA -0.024 4.636 4.660 -0.001 0.000 0.249 207 W C 2.192 178.633 176.519 -0.130 0.000 1.280 207 W CA 0.711 58.001 57.345 -0.093 0.000 1.345 207 W CB -0.366 29.151 29.460 0.093 0.000 1.128 207 W HN 0.153 nan 8.180 nan 0.000 0.642 208 Q N -0.637 119.202 119.800 0.065 0.000 2.402 208 Q HA 0.129 4.468 4.340 -0.001 0.000 0.206 208 Q C 1.513 177.467 176.000 -0.078 0.000 0.919 208 Q CA 0.439 56.257 55.803 0.026 0.000 0.923 208 Q CB 0.130 28.907 28.738 0.064 0.000 1.048 208 Q HN 0.172 nan 8.270 nan 0.000 0.515 209 G N 0.140 108.833 108.800 -0.179 0.000 2.532 209 G HA2 0.443 4.402 3.960 -0.001 0.000 0.291 209 G HA3 0.443 4.402 3.960 -0.001 0.000 0.291 209 G C -0.681 174.033 174.900 -0.310 0.000 1.349 209 G CA -0.752 44.221 45.100 -0.211 0.000 1.038 209 G HN 0.070 nan 8.290 nan 0.000 0.518 210 L N 0.622 121.685 121.223 -0.267 0.000 2.418 210 L HA 0.180 4.520 4.340 -0.001 0.000 0.274 210 L C -0.023 176.585 176.870 -0.437 0.000 1.135 210 L CA -0.329 54.342 54.840 -0.281 0.000 0.870 210 L CB 0.874 42.832 42.059 -0.168 0.000 1.154 210 L HN 0.004 nan 8.230 nan 0.000 0.462 211 V N 5.840 125.425 119.914 -0.549 0.000 2.539 211 V HA 0.260 4.380 4.120 -0.001 0.000 0.292 211 V C -2.031 173.886 176.094 -0.296 0.000 1.045 211 V CA -1.913 59.955 62.300 -0.721 0.000 0.945 211 V CB 1.457 32.719 31.823 -0.934 0.000 0.993 211 V HN 0.624 nan 8.190 nan 0.000 0.464 212 P HA 0.062 nan 4.420 nan 0.000 0.260 212 P C 0.707 178.199 177.300 0.320 0.000 1.185 212 P CA 0.448 63.579 63.100 0.052 0.000 0.763 212 P CB 0.416 32.181 31.700 0.109 0.000 0.776 213 G N 2.453 111.406 108.800 0.255 0.000 3.314 213 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.238 213 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.238 213 G C 0.287 175.461 174.900 0.457 0.000 1.184 213 G CA -0.160 45.075 45.100 0.226 0.000 0.806 213 G HN 0.484 nan 8.290 nan 0.000 0.536 214 D N -0.945 119.699 120.400 0.405 0.000 2.462 214 D HA 0.189 4.828 4.640 -0.001 0.000 0.221 214 D C 0.278 176.664 176.300 0.144 0.000 1.173 214 D CA -0.448 53.763 54.000 0.353 0.000 0.831 214 D CB 0.435 41.365 40.800 0.217 0.000 1.001 214 D HN -0.006 nan 8.370 nan 0.000 0.499 215 S N -0.481 115.314 115.700 0.157 0.000 2.572 215 S HA 0.342 4.812 4.470 -0.001 0.000 0.274 215 S C 0.714 175.216 174.600 -0.163 0.000 1.150 215 S CA -0.204 57.906 58.200 -0.150 0.000 0.944 215 S CB 1.411 64.616 63.200 0.009 0.000 1.071 215 S HN 0.085 nan 8.310 nan 0.000 0.479 216 S N 4.083 119.494 115.700 -0.482 0.000 2.507 216 S HA -0.078 4.392 4.470 -0.001 0.000 0.235 216 S C 1.692 176.269 174.600 -0.038 0.000 0.988 216 S CA 0.609 58.726 58.200 -0.139 0.000 0.944 216 S CB -0.374 62.732 63.200 -0.157 0.000 0.762 216 S HN 0.776 nan 8.310 nan 0.000 0.526 217 R N 0.445 120.845 120.500 -0.167 0.000 2.159 217 R HA -0.090 4.249 4.340 -0.001 0.000 0.237 217 R C 0.759 176.953 176.300 -0.176 0.000 1.131 217 R CA 1.421 57.360 56.100 -0.269 0.000 0.982 217 R CB -0.241 29.735 30.300 -0.540 0.000 0.868 217 R HN 0.650 nan 8.270 nan 0.000 0.453 218 Y N -0.656 119.849 120.300 0.342 0.000 2.507 218 Y HA 0.186 4.735 4.550 -0.001 0.000 0.254 218 Y C -0.127 176.156 175.900 0.638 0.000 1.171 218 Y CA -0.842 57.620 58.100 0.603 0.000 1.238 218 Y CB 0.717 39.535 38.460 0.597 0.000 1.148 218 Y HN -0.020 nan 8.280 nan 0.000 0.525 219 L N 3.548 125.020 121.223 0.415 0.000 2.302 219 L HA 0.211 4.551 4.340 -0.001 0.000 0.285 219 L C 0.155 177.087 176.870 0.104 0.000 1.090 219 L CA -1.040 53.879 54.840 0.132 0.000 0.866 219 L CB -0.269 41.786 42.059 -0.006 0.000 1.244 219 L HN 0.143 nan 8.230 nan 0.000 0.435 220 W N 3.156 124.592 121.300 0.228 0.000 2.126 220 W HA 0.431 5.091 4.660 -0.001 0.000 0.346 220 W C 0.124 176.670 176.519 0.044 0.000 1.279 220 W CA -0.088 57.299 57.345 0.070 0.000 1.259 220 W CB -0.055 29.368 29.460 -0.061 0.000 1.133 220 W HN 0.631 nan 8.180 nan 0.000 0.592 221 T N -3.011 111.757 114.554 0.356 0.000 3.046 221 T HA 0.193 4.543 4.350 -0.001 0.000 0.270 221 T C -0.077 174.749 174.700 0.210 0.000 0.920 221 T CA -0.204 62.034 62.100 0.230 0.000 0.874 221 T CB 0.365 69.291 68.868 0.096 0.000 1.214 221 T HN 0.475 nan 8.240 nan 0.000 0.536 222 E N 1.829 122.126 120.200 0.162 0.000 2.281 222 E HA 0.631 4.980 4.350 -0.001 0.000 0.262 222 E C -0.774 175.791 176.600 -0.058 0.000 0.933 222 E CA -0.993 55.431 56.400 0.040 0.000 0.809 222 E CB 2.042 31.733 29.700 -0.015 0.000 1.242 222 E HN 0.406 nan 8.360 nan 0.000 0.418 223 T N -2.047 112.448 114.554 -0.098 0.000 2.916 223 T HA 0.333 4.683 4.350 -0.001 0.000 0.292 223 T C -0.403 174.205 174.700 -0.153 0.000 1.055 223 T CA -0.963 61.041 62.100 -0.160 0.000 1.009 223 T CB 1.031 69.845 68.868 -0.090 0.000 1.118 223 T HN 0.321 nan 8.240 nan 0.000 0.497 224 H N 2.378 121.435 119.070 -0.021 0.000 2.732 224 H HA 0.337 4.893 4.556 -0.001 0.000 0.351 224 H C -1.899 173.429 175.328 -0.000 0.000 1.090 224 H CA -0.893 55.162 56.048 0.012 0.000 1.431 224 H CB 0.966 30.756 29.762 0.046 0.000 1.447 224 H HN 0.539 nan 8.280 nan 0.000 0.582 225 P HA -0.027 nan 4.420 nan 0.000 0.278 225 P C 1.074 178.408 177.300 0.057 0.000 1.266 225 P CA -0.607 62.530 63.100 0.061 0.000 0.807 225 P CB 1.447 33.173 31.700 0.044 0.000 1.094 226 L N 1.606 122.834 121.223 0.008 0.000 2.043 226 L HA -0.207 4.133 4.340 -0.001 0.000 0.212 226 L C 1.794 178.675 176.870 0.019 0.000 1.075 226 L CA 2.243 57.077 54.840 -0.009 0.000 0.752 226 L CB -1.442 40.582 42.059 -0.059 0.000 0.891 226 L HN 0.420 nan 8.230 nan 0.000 0.432 227 D N -2.061 118.354 120.400 0.025 0.000 2.351 227 D HA -0.199 4.441 4.640 -0.001 0.000 0.216 227 D C 0.884 177.225 176.300 0.070 0.000 0.968 227 D CA 0.965 54.990 54.000 0.042 0.000 0.899 227 D CB -0.371 40.446 40.800 0.027 0.000 0.907 227 D HN 0.415 nan 8.370 nan 0.000 0.514 228 D N 0.125 120.574 120.400 0.083 0.000 2.350 228 D HA 0.176 4.816 4.640 -0.001 0.000 0.213 228 D C 0.653 177.026 176.300 0.122 0.000 1.031 228 D CA 0.043 54.094 54.000 0.085 0.000 0.861 228 D CB 0.566 41.428 40.800 0.103 0.000 0.926 228 D HN 0.285 nan 8.370 nan 0.000 0.520 229 L N 0.879 122.160 121.223 0.097 0.000 2.360 229 L HA 0.396 4.736 4.340 -0.001 0.000 0.271 229 L C -2.212 174.627 176.870 -0.051 0.000 1.057 229 L CA -2.174 52.679 54.840 0.021 0.000 0.803 229 L CB 0.918 43.004 42.059 0.045 0.000 1.207 229 L HN -0.368 nan 8.230 nan 0.000 0.445 230 P HA 0.155 nan 4.420 nan 0.000 0.263 230 P C -1.087 176.173 177.300 -0.067 0.000 1.195 230 P CA 0.288 62.967 63.100 -0.702 0.000 0.762 230 P CB 0.437 31.444 31.700 -1.155 0.000 0.799 231 R N 1.646 122.245 120.500 0.165 0.000 2.740 231 R HA 0.738 5.078 4.340 -0.001 0.000 0.273 231 R C -1.540 175.021 176.300 0.435 0.000 0.998 231 R CA -1.068 55.185 56.100 0.255 0.000 0.900 231 R CB 2.175 32.564 30.300 0.148 0.000 1.223 231 R HN 0.116 nan 8.270 nan 0.000 0.466 232 V N 1.097 121.251 119.914 0.400 0.000 2.668 232 V HA 0.459 4.578 4.120 -0.001 0.000 0.304 232 V C -0.842 175.382 176.094 0.215 0.000 1.071 232 V CA -0.654 61.833 62.300 0.311 0.000 0.894 232 V CB 2.374 34.361 31.823 0.274 0.000 1.008 232 V HN 0.814 nan 8.190 nan 0.000 0.425 233 T N 3.940 118.580 114.554 0.143 0.000 2.879 233 T HA 0.408 4.758 4.350 -0.001 0.000 0.290 233 T C -0.097 174.609 174.700 0.009 0.000 0.993 233 T CA -0.557 61.585 62.100 0.069 0.000 0.975 233 T CB 0.949 69.874 68.868 0.096 0.000 0.981 233 T HN 0.722 nan 8.240 nan 0.000 0.439 234 N N 2.488 121.167 118.700 -0.036 0.000 2.669 234 N HA -0.110 4.629 4.740 -0.001 0.000 0.266 234 N C -2.288 173.205 175.510 -0.028 0.000 1.024 234 N CA 0.337 53.361 53.050 -0.042 0.000 0.766 234 N CB -0.860 37.593 38.487 -0.058 0.000 0.898 234 N HN 0.500 nan 8.380 nan 0.000 0.548 235 P HA 0.152 nan 4.420 nan 0.000 0.274 235 P C -1.398 175.870 177.300 -0.053 0.000 1.246 235 P CA -0.978 62.088 63.100 -0.057 0.000 0.795 235 P CB 0.633 32.265 31.700 -0.114 0.000 1.006 236 P HA -0.119 nan 4.420 nan 0.000 0.222 236 P C 1.533 178.822 177.300 -0.017 0.000 1.147 236 P CA 1.467 64.544 63.100 -0.038 0.000 0.790 236 P CB -0.547 31.122 31.700 -0.051 0.000 0.780 237 G N -0.394 108.389 108.800 -0.028 0.000 2.534 237 G HA2 0.102 4.062 3.960 -0.001 0.000 0.217 237 G HA3 0.102 4.062 3.960 -0.001 0.000 0.217 237 G C 1.249 176.253 174.900 0.173 0.000 1.128 237 G CA 0.633 45.777 45.100 0.074 0.000 0.784 237 G HN 0.473 nan 8.290 nan 0.000 0.542 238 G N -1.235 107.610 108.800 0.074 0.000 2.136 238 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.242 238 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.242 238 G C 0.145 175.171 174.900 0.210 0.000 0.989 238 G CA 0.536 45.702 45.100 0.110 0.000 0.682 238 G HN 1.572 nan 8.290 nan 0.000 0.522 239 F N -2.013 117.938 119.950 0.002 0.000 2.741 239 F HA 0.767 5.293 4.527 -0.001 0.000 0.311 239 F C -0.701 175.134 175.800 0.058 0.000 1.149 239 F CA -1.235 56.773 58.000 0.014 0.000 0.930 239 F CB 1.064 40.044 39.000 -0.034 0.000 1.312 239 F HN 0.812 nan 8.300 nan 0.000 0.450 240 V N 0.526 120.484 119.914 0.073 0.000 3.007 240 V HA 0.971 5.090 4.120 -0.001 0.000 0.311 240 V C -1.413 174.873 176.094 0.319 0.000 1.120 240 V CA -0.609 61.690 62.300 -0.003 0.000 0.980 240 V CB 1.357 33.251 31.823 0.118 0.000 1.033 240 V HN 1.476 nan 8.190 nan 0.000 0.429 241 Q N 1.587 121.531 119.800 0.240 0.000 2.575 241 Q HA 0.654 4.994 4.340 -0.001 0.000 0.290 241 Q C -1.561 174.541 176.000 0.170 0.000 0.963 241 Q CA -0.575 55.471 55.803 0.405 0.000 0.783 241 Q CB 1.847 30.986 28.738 0.669 0.000 1.467 241 Q HN 0.976 nan 8.270 nan 0.000 0.402 242 N N 0.175 119.007 118.700 0.219 0.000 2.718 242 N HA 0.262 5.001 4.740 -0.001 0.000 0.260 242 N C -1.519 174.057 175.510 0.110 0.000 1.089 242 N CA -0.189 52.933 53.050 0.120 0.000 1.021 242 N CB 1.928 40.506 38.487 0.151 0.000 1.618 242 N HN 0.603 nan 8.380 nan 0.000 0.554 243 S N 2.501 118.249 115.700 0.080 0.000 2.592 243 S HA 0.278 4.748 4.470 -0.001 0.000 0.243 243 S C 0.401 175.016 174.600 0.026 0.000 1.160 243 S CA -0.401 57.819 58.200 0.033 0.000 1.145 243 S CB -0.569 62.686 63.200 0.092 0.000 0.909 243 S HN 0.820 nan 8.310 nan 0.000 0.487 244 N N 1.486 120.207 118.700 0.035 0.000 2.965 244 N HA -0.149 4.591 4.740 -0.001 0.000 0.232 244 N C -0.604 174.902 175.510 -0.006 0.000 0.913 244 N CA 1.128 54.202 53.050 0.040 0.000 0.981 244 N CB -0.929 37.591 38.487 0.055 0.000 1.077 244 N HN 0.617 nan 8.380 nan 0.000 0.589 245 D N 0.794 121.150 120.400 -0.073 0.000 2.344 245 D HA 0.255 4.895 4.640 -0.001 0.000 0.244 245 D C -2.407 173.724 176.300 -0.282 0.000 1.134 245 D CA -1.223 52.632 54.000 -0.242 0.000 0.930 245 D CB 0.082 40.627 40.800 -0.426 0.000 1.175 245 D HN -0.072 nan 8.370 nan 0.000 0.437 246 P HA 0.042 nan 4.420 nan 0.000 0.267 246 P C -1.783 175.173 177.300 -0.574 0.000 1.201 246 P CA -0.680 62.195 63.100 -0.374 0.000 0.775 246 P CB -0.089 31.514 31.700 -0.161 0.000 0.854 247 P HA -0.067 nan 4.420 nan 0.000 0.269 247 P C -0.007 177.046 177.300 -0.412 0.000 1.376 247 P CA 0.711 63.454 63.100 -0.596 0.000 0.775 247 P CB -0.522 30.815 31.700 -0.606 0.000 1.345 248 W N 0.387 121.811 121.300 0.206 0.000 3.139 248 W HA 0.084 4.744 4.660 -0.001 0.000 0.260 248 W C 0.828 177.505 176.519 0.263 0.000 1.312 248 W CA 0.257 57.786 57.345 0.307 0.000 1.606 248 W CB 0.018 29.713 29.460 0.392 0.000 1.118 248 W HN 0.079 nan 8.180 nan 0.000 0.675 249 T N -3.433 111.341 114.554 0.367 0.000 3.732 249 T HA 0.176 4.525 4.350 -0.001 0.000 0.234 249 T C -1.593 173.168 174.700 0.102 0.000 1.146 249 T CA -1.373 60.919 62.100 0.320 0.000 1.454 249 T CB 0.638 69.782 68.868 0.460 0.000 0.910 249 T HN -0.211 nan 8.240 nan 0.000 0.640 250 P HA 0.125 nan 4.420 nan 0.000 0.229 250 P C 0.520 177.667 177.300 -0.255 0.000 1.160 250 P CA 0.756 63.671 63.100 -0.309 0.000 0.777 250 P CB 0.392 31.732 31.700 -0.601 0.000 0.814 251 T N -2.184 112.234 114.554 -0.226 0.000 2.739 251 T HA 0.448 4.798 4.350 -0.001 0.000 0.303 251 T C -2.698 171.977 174.700 -0.042 0.000 1.389 251 T CA -0.700 61.082 62.100 -0.531 0.000 1.001 251 T CB 1.205 69.745 68.868 -0.546 0.000 1.436 251 T HN -0.014 nan 8.240 nan 0.000 0.500 252 W N 4.231 125.347 121.300 -0.305 0.000 3.132 252 W HA 0.423 5.082 4.660 -0.001 0.000 0.337 252 W C -2.722 173.816 176.519 0.030 0.000 1.082 252 W CA -1.875 55.478 57.345 0.014 0.000 1.242 252 W CB 1.841 31.441 29.460 0.234 0.000 1.354 252 W HN 0.614 nan 8.180 nan 0.000 0.461 253 P HA 0.061 nan 4.420 nan 0.000 0.272 253 P C 0.103 177.194 177.300 -0.349 0.000 1.230 253 P CA 0.134 62.843 63.100 -0.653 0.000 0.788 253 P CB 1.344 32.731 31.700 -0.522 0.000 0.949 254 V N -0.584 119.121 119.914 -0.348 0.000 3.096 254 V HA 0.246 4.366 4.120 -0.001 0.000 0.306 254 V C 1.248 177.216 176.094 -0.211 0.000 1.088 254 V CA 0.770 62.945 62.300 -0.208 0.000 1.129 254 V CB -0.097 31.661 31.823 -0.108 0.000 1.014 254 V HN 0.800 nan 8.190 nan 0.000 0.486 255 T N -1.074 113.325 114.554 -0.260 0.000 3.044 255 T HA 0.406 4.755 4.350 -0.001 0.000 0.260 255 T C 0.008 174.738 174.700 0.049 0.000 1.019 255 T CA 0.516 62.549 62.100 -0.113 0.000 0.921 255 T CB -0.445 68.393 68.868 -0.051 0.000 1.053 255 T HN 1.348 nan 8.240 nan 0.000 0.533 256 Y N -0.653 119.738 120.300 0.152 0.000 2.750 256 Y HA 0.724 5.274 4.550 -0.001 0.000 0.335 256 Y C -0.749 175.284 175.900 0.220 0.000 1.252 256 Y CA -1.402 56.820 58.100 0.203 0.000 1.064 256 Y CB 0.697 39.381 38.460 0.374 0.000 1.321 256 Y HN 0.162 nan 8.280 nan 0.000 0.451 257 T N -3.343 111.502 114.554 0.486 0.000 2.887 257 T HA 0.523 4.873 4.350 -0.001 0.000 0.292 257 T C -2.674 172.042 174.700 0.027 0.000 1.087 257 T CA -2.441 59.800 62.100 0.235 0.000 1.009 257 T CB 2.210 71.105 68.868 0.045 0.000 1.203 257 T HN 0.349 nan 8.240 nan 0.000 0.518 258 P HA -0.039 nan 4.420 nan 0.000 0.217 258 P C 1.130 178.227 177.300 -0.337 0.000 1.148 258 P CA 1.162 63.658 63.100 -1.007 0.000 0.828 258 P CB 0.006 31.058 31.700 -1.080 0.000 0.783 259 K N -0.726 119.557 120.400 -0.196 0.000 2.360 259 K HA -0.108 4.212 4.320 -0.001 0.000 0.201 259 K C 0.966 177.489 176.600 -0.127 0.000 1.046 259 K CA 0.966 57.180 56.287 -0.122 0.000 0.945 259 K CB -0.390 32.054 32.500 -0.093 0.000 0.750 259 K HN 0.221 nan 8.250 nan 0.000 0.464 260 D N -0.400 119.915 120.400 -0.141 0.000 2.349 260 D HA 0.024 4.664 4.640 -0.001 0.000 0.224 260 D C -0.146 175.679 176.300 -0.791 0.000 1.029 260 D CA 0.763 54.518 54.000 -0.407 0.000 0.879 260 D CB 0.185 40.714 40.800 -0.452 0.000 0.906 260 D HN 0.010 nan 8.370 nan 0.000 0.528 261 F N -0.484 119.393 119.950 -0.122 0.000 2.629 261 F HA 0.379 4.905 4.527 -0.001 0.000 0.316 261 F C -2.106 173.578 175.800 -0.194 0.000 1.081 261 F CA -2.617 55.294 58.000 -0.150 0.000 0.954 261 F CB 0.714 39.650 39.000 -0.106 0.000 1.337 261 F HN -0.413 nan 8.300 nan 0.000 0.474 262 P HA 0.058 nan 4.420 nan 0.000 0.266 262 P C 0.449 177.557 177.300 -0.321 0.000 1.195 262 P CA 0.136 63.005 63.100 -0.385 0.000 0.768 262 P CB 0.682 31.831 31.700 -0.919 0.000 0.838 263 S N 1.441 117.042 115.700 -0.166 0.000 2.547 263 S HA -0.179 4.291 4.470 -0.001 0.000 0.235 263 S C 1.252 175.928 174.600 0.128 0.000 0.980 263 S CA 0.665 58.878 58.200 0.022 0.000 0.941 263 S CB -1.120 62.141 63.200 0.101 0.000 0.763 263 S HN 0.585 nan 8.310 nan 0.000 0.532 264 Y N -0.367 120.051 120.300 0.196 0.000 2.457 264 Y HA 0.532 5.082 4.550 -0.001 0.000 0.263 264 Y C 1.460 177.443 175.900 0.138 0.000 1.164 264 Y CA -1.055 57.169 58.100 0.206 0.000 1.274 264 Y CB -0.553 38.005 38.460 0.164 0.000 1.097 264 Y HN 0.130 nan 8.280 nan 0.000 0.523 265 L N 0.649 121.914 121.223 0.069 0.000 2.072 265 L HA 0.225 4.565 4.340 -0.001 0.000 0.205 265 L C 1.047 178.002 176.870 0.141 0.000 1.079 265 L CA 0.914 55.817 54.840 0.106 0.000 0.752 265 L CB -0.245 41.742 42.059 -0.120 0.000 0.906 265 L HN 0.383 nan 8.230 nan 0.000 0.436 266 A N -1.188 121.696 122.820 0.105 0.000 2.606 266 A HA 0.661 4.980 4.320 -0.001 0.000 0.293 266 A C -2.603 175.141 177.584 0.267 0.000 1.082 266 A CA -1.065 51.040 52.037 0.113 0.000 0.685 266 A CB 1.075 19.881 19.000 -0.323 0.000 1.284 266 A HN -0.178 nan 8.150 nan 0.000 0.408 267 P HA 0.284 nan 4.420 nan 0.000 0.274 267 P C -0.906 176.658 177.300 0.441 0.000 1.246 267 P CA 0.020 63.289 63.100 0.281 0.000 0.795 267 P CB 0.728 32.543 31.700 0.193 0.000 1.006 268 Q N -0.287 119.733 119.800 0.367 0.000 2.233 268 Q HA 0.176 4.515 4.340 -0.001 0.000 0.340 268 Q C 0.098 176.271 176.000 0.289 0.000 0.899 268 Q CA -0.258 55.789 55.803 0.407 0.000 1.139 268 Q CB 0.340 29.224 28.738 0.244 0.000 1.273 268 Q HN 0.524 nan 8.270 nan 0.000 0.431 269 T N -2.461 112.213 114.554 0.200 0.000 2.874 269 T HA 0.440 4.790 4.350 -0.001 0.000 0.281 269 T C -2.474 172.101 174.700 -0.209 0.000 0.994 269 T CA -2.068 60.066 62.100 0.058 0.000 1.015 269 T CB 0.909 69.808 68.868 0.051 0.000 1.028 269 T HN -0.118 nan 8.240 nan 0.000 0.523 270 P HA 0.080 nan 4.420 nan 0.000 0.264 270 P C -0.217 176.607 177.300 -0.794 0.000 1.183 270 P CA 0.056 62.480 63.100 -1.127 0.000 0.763 270 P CB -0.017 31.385 31.700 -0.496 0.000 0.807 271 H N 0.384 118.692 119.070 -1.270 0.000 2.683 271 H HA 0.166 4.722 4.556 -0.001 0.000 0.339 271 H C 1.023 176.209 175.328 -0.236 0.000 1.081 271 H CA -0.715 55.066 56.048 -0.445 0.000 1.432 271 H CB 0.690 30.370 29.762 -0.135 0.000 1.462 271 H HN 0.480 nan 8.280 nan 0.000 0.557 272 S N 2.888 118.607 115.700 0.030 0.000 2.572 272 S HA -0.032 4.438 4.470 -0.001 0.000 0.267 272 S C 1.428 176.112 174.600 0.140 0.000 1.361 272 S CA -0.643 57.606 58.200 0.083 0.000 1.009 272 S CB 0.594 63.856 63.200 0.104 0.000 0.888 272 S HN 0.591 nan 8.310 nan 0.000 0.553 273 L N 0.703 122.029 121.223 0.172 0.000 2.201 273 L HA -0.051 4.288 4.340 -0.001 0.000 0.212 273 L C 2.962 179.958 176.870 0.210 0.000 1.105 273 L CA 1.555 56.512 54.840 0.196 0.000 0.775 273 L CB -0.605 41.590 42.059 0.226 0.000 0.913 273 L HN 0.826 nan 8.230 nan 0.000 0.440 274 R N 0.816 121.447 120.500 0.218 0.000 2.075 274 R HA -0.143 4.197 4.340 -0.001 0.000 0.232 274 R C 2.345 178.814 176.300 0.280 0.000 1.126 274 R CA 1.392 57.644 56.100 0.254 0.000 0.963 274 R CB -0.205 30.215 30.300 0.200 0.000 0.858 274 R HN 0.282 nan 8.270 nan 0.000 0.435 275 A N 0.764 123.712 122.820 0.213 0.000 1.930 275 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 275 A C 2.036 179.755 177.584 0.225 0.000 1.175 275 A CA 1.293 53.454 52.037 0.207 0.000 0.627 275 A CB -0.372 18.698 19.000 0.118 0.000 0.815 275 A HN 0.518 nan 8.150 nan 0.000 0.443 276 Q N -0.975 118.951 119.800 0.210 0.000 2.119 276 Q HA -0.179 4.161 4.340 -0.001 0.000 0.201 276 Q C 2.270 178.339 176.000 0.115 0.000 0.972 276 Q CA 1.262 57.166 55.803 0.168 0.000 0.847 276 Q CB -0.173 28.666 28.738 0.169 0.000 0.903 276 Q HN 0.580 nan 8.270 nan 0.000 0.433 277 Q N 0.122 120.015 119.800 0.155 0.000 2.084 277 Q HA -0.145 4.195 4.340 -0.001 0.000 0.202 277 Q C 2.220 178.270 176.000 0.084 0.000 0.978 277 Q CA 1.334 57.206 55.803 0.115 0.000 0.844 277 Q CB -0.484 28.367 28.738 0.190 0.000 0.898 277 Q HN 0.250 nan 8.270 nan 0.000 0.426 278 S N -0.097 115.743 115.700 0.234 0.000 2.365 278 S HA -0.140 4.329 4.470 -0.001 0.000 0.225 278 S C 2.061 176.763 174.600 0.171 0.000 1.039 278 S CA 1.561 59.960 58.200 0.330 0.000 1.033 278 S CB -0.173 63.387 63.200 0.600 0.000 0.887 278 S HN 0.204 nan 8.310 nan 0.000 0.447 279 V N 1.946 121.940 119.914 0.132 0.000 2.343 279 V HA -0.139 3.981 4.120 -0.001 0.000 0.247 279 V C 2.705 178.694 176.094 -0.174 0.000 1.051 279 V CA 2.096 64.422 62.300 0.043 0.000 1.036 279 V CB -0.735 31.099 31.823 0.018 0.000 0.654 279 V HN 0.434 nan 8.190 nan 0.000 0.451 280 R N -0.671 119.729 120.500 -0.168 0.000 2.066 280 R HA 0.004 4.344 4.340 -0.001 0.000 0.232 280 R C 1.147 177.284 176.300 -0.272 0.000 1.131 280 R CA 0.662 56.637 56.100 -0.210 0.000 0.955 280 R CB -0.360 29.855 30.300 -0.143 0.000 0.851 280 R HN 0.356 nan 8.270 nan 0.000 0.432 284 E N 1.807 121.877 120.200 -0.217 0.000 2.502 284 E HA 0.242 4.591 4.350 -0.001 0.000 0.194 284 E C -0.344 176.161 176.600 -0.158 0.000 1.062 284 E CA 0.142 56.451 56.400 -0.151 0.000 0.867 284 E CB 0.072 29.685 29.700 -0.146 0.000 0.888 284 E HN 0.462 nan 8.360 nan 0.000 0.510 285 N N 1.001 119.573 118.700 -0.213 0.000 2.269 285 N HA 0.220 4.959 4.740 -0.001 0.000 0.304 285 N C -1.166 174.248 175.510 -0.160 0.000 1.072 285 N CA -0.384 52.555 53.050 -0.185 0.000 0.802 285 N CB 2.098 40.450 38.487 -0.225 0.000 1.348 285 N HN -0.053 nan 8.380 nan 0.000 0.484 286 D N -0.864 119.468 120.400 -0.113 0.000 2.592 286 D HA 0.243 4.882 4.640 -0.001 0.000 0.263 286 D C -0.855 175.399 176.300 -0.076 0.000 1.132 286 D CA -0.192 53.757 54.000 -0.086 0.000 0.996 286 D CB 1.134 41.898 40.800 -0.060 0.000 1.442 286 D HN 0.470 nan 8.370 nan 0.000 0.486 287 D N 0.251 120.612 120.400 -0.064 0.000 2.708 287 D HA -0.172 4.468 4.640 -0.001 0.000 0.236 287 D C -0.809 175.452 176.300 -0.065 0.000 1.146 287 D CA 0.513 54.479 54.000 -0.058 0.000 0.662 287 D CB -1.103 39.667 40.800 -0.049 0.000 1.059 287 D HN 0.369 nan 8.370 nan 0.000 0.428 288 L N 0.402 121.578 121.223 -0.078 0.000 2.453 288 L HA 0.248 4.587 4.340 -0.001 0.000 0.272 288 L C 1.486 178.311 176.870 -0.075 0.000 1.182 288 L CA 0.573 55.368 54.840 -0.075 0.000 0.858 288 L CB 0.712 42.720 42.059 -0.085 0.000 1.120 288 L HN 0.249 nan 8.230 nan 0.000 0.474 289 T N -0.411 114.111 114.554 -0.053 0.000 2.952 289 T HA 0.290 4.640 4.350 -0.001 0.000 0.286 289 T C 0.734 175.412 174.700 -0.037 0.000 1.024 289 T CA -0.924 61.143 62.100 -0.055 0.000 1.029 289 T CB 1.711 70.552 68.868 -0.046 0.000 1.094 289 T HN 0.425 nan 8.240 nan 0.000 0.515 290 L N 0.831 122.021 121.223 -0.054 0.000 2.042 290 L HA -0.012 4.327 4.340 -0.001 0.000 0.210 290 L C 2.335 179.209 176.870 0.007 0.000 1.076 290 L CA 1.997 56.823 54.840 -0.024 0.000 0.749 290 L CB -1.151 40.882 42.059 -0.043 0.000 0.893 290 L HN 0.797 nan 8.230 nan 0.000 0.432 291 E N -0.422 119.746 120.200 -0.052 0.000 2.058 291 E HA -0.258 4.092 4.350 -0.001 0.000 0.194 291 E C 2.339 178.909 176.600 -0.049 0.000 0.997 291 E CA 1.512 57.860 56.400 -0.087 0.000 0.801 291 E CB -0.350 29.298 29.700 -0.086 0.000 0.746 291 E HN 0.324 nan 8.360 nan 0.000 0.450 292 R N -0.047 120.440 120.500 -0.020 0.000 2.092 292 R HA -0.022 4.318 4.340 -0.001 0.000 0.231 292 R C 0.683 176.995 176.300 0.021 0.000 1.119 292 R CA 0.458 56.547 56.100 -0.020 0.000 0.970 292 R CB -0.770 29.511 30.300 -0.031 0.000 0.864 292 R HN 0.137 nan 8.270 nan 0.000 0.440 296 L N 0.714 121.898 121.223 -0.066 0.000 2.191 296 L HA -0.145 4.194 4.340 -0.001 0.000 0.212 296 L C 2.599 179.497 176.870 0.047 0.000 1.103 296 L CA 1.617 56.428 54.840 -0.048 0.000 0.769 296 L CB -0.195 41.786 42.059 -0.129 0.000 0.908 296 L HN 0.566 nan 8.230 nan 0.000 0.438 297 Q N 0.837 120.657 119.800 0.032 0.000 2.291 297 Q HA -0.150 4.190 4.340 -0.001 0.000 0.206 297 Q C 1.982 178.072 176.000 0.151 0.000 0.976 297 Q CA 1.281 57.106 55.803 0.036 0.000 0.875 297 Q CB 0.014 28.662 28.738 -0.151 0.000 0.927 297 Q HN 0.568 nan 8.270 nan 0.000 0.450 298 L N 0.649 121.919 121.223 0.079 0.000 2.599 298 L HA 0.079 4.419 4.340 -0.001 0.000 0.230 298 L C 0.814 177.689 176.870 0.007 0.000 1.141 298 L CA -0.298 54.597 54.840 0.092 0.000 0.877 298 L CB -0.052 42.049 42.059 0.070 0.000 1.009 298 L HN -0.123 nan 8.230 nan 0.000 0.447 299 S N 0.877 116.589 115.700 0.019 0.000 2.593 299 S HA -0.045 4.425 4.470 -0.001 0.000 0.300 299 S C 0.315 174.979 174.600 0.106 0.000 1.267 299 S CA 0.196 58.372 58.200 -0.040 0.000 1.065 299 S CB -0.110 63.103 63.200 0.023 0.000 0.807 299 S HN 0.467 nan 8.310 nan 0.000 0.499 300 H N 0.178 119.355 119.070 0.178 0.000 2.825 300 H HA 0.526 5.082 4.556 -0.001 0.000 0.226 300 H C -0.540 174.889 175.328 0.168 0.000 1.414 300 H CA -0.852 55.356 56.048 0.266 0.000 1.198 300 H CB -0.465 29.491 29.762 0.323 0.000 2.013 300 H HN 0.334 nan 8.280 nan 0.000 0.530 301 R N 1.334 121.970 120.500 0.227 0.000 2.438 301 R HA 0.606 4.946 4.340 -0.001 0.000 0.287 301 R C 0.071 176.294 176.300 -0.128 0.000 1.077 301 R CA 0.071 56.152 56.100 -0.032 0.000 1.034 301 R CB 0.531 30.803 30.300 -0.046 0.000 0.993 301 R HN 0.565 nan 8.270 nan 0.000 0.459 302 A N 5.485 127.970 122.820 -0.560 0.000 3.091 302 A HA 0.259 4.578 4.320 -0.001 0.000 0.264 302 A C 0.085 177.519 177.584 -0.250 0.000 1.673 302 A CA -0.645 51.066 52.037 -0.542 0.000 1.362 302 A CB -0.614 17.719 19.000 -1.113 0.000 1.137 302 A HN 0.570 nan 8.150 nan 0.000 0.617 306 D N 0.577 120.912 120.400 -0.109 0.000 2.178 306 D HA -0.106 4.533 4.640 -0.001 0.000 0.201 306 D C 1.649 178.025 176.300 0.128 0.000 0.980 306 D CA 0.951 54.937 54.000 -0.024 0.000 0.842 306 D CB -0.058 40.728 40.800 -0.023 0.000 0.948 306 D HN 0.295 nan 8.370 nan 0.000 0.472 307 R N 0.088 120.702 120.500 0.189 0.000 2.240 307 R HA 0.018 4.358 4.340 -0.001 0.000 0.203 307 R C 2.013 178.312 176.300 -0.002 0.000 1.011 307 R CA 0.887 57.126 56.100 0.232 0.000 1.007 307 R CB -0.436 30.096 30.300 0.387 0.000 0.911 307 R HN 0.361 nan 8.270 nan 0.000 0.468 308 T N -3.308 111.280 114.554 0.057 0.000 3.028 308 T HA 0.213 4.562 4.350 -0.001 0.000 0.250 308 T C 1.995 176.614 174.700 -0.134 0.000 0.979 308 T CA -0.309 61.754 62.100 -0.063 0.000 1.004 308 T CB -0.212 68.648 68.868 -0.013 0.000 1.120 308 T HN -0.041 nan 8.240 nan 0.000 0.482 309 L N 1.318 122.487 121.223 -0.090 0.000 2.127 309 L HA 0.027 4.367 4.340 -0.001 0.000 0.211 309 L C -0.610 176.205 176.870 -0.091 0.000 1.089 309 L CA 1.409 56.174 54.840 -0.125 0.000 0.757 309 L CB -1.653 40.344 42.059 -0.103 0.000 0.899 309 L HN 0.249 nan 8.230 nan 0.000 0.434 310 P HA -0.156 nan 4.420 nan 0.000 0.216 310 P C 0.849 178.145 177.300 -0.007 0.000 1.150 310 P CA 1.417 64.522 63.100 0.008 0.000 0.843 310 P CB 0.066 31.827 31.700 0.103 0.000 0.787 311 D N -1.778 118.597 120.400 -0.041 0.000 2.216 311 D HA -0.018 4.622 4.640 -0.001 0.000 0.208 311 D C 1.805 178.064 176.300 -0.068 0.000 0.960 311 D CA 0.462 54.442 54.000 -0.033 0.000 0.861 311 D CB -0.770 40.011 40.800 -0.031 0.000 0.985 311 D HN 0.016 nan 8.370 nan 0.000 0.493 312 L N 1.040 122.176 121.223 -0.145 0.000 2.027 312 L HA -0.115 4.224 4.340 -0.001 0.000 0.206 312 L C 1.943 178.714 176.870 -0.165 0.000 1.074 312 L CA 1.210 55.921 54.840 -0.214 0.000 0.745 312 L CB -0.385 41.384 42.059 -0.484 0.000 0.898 312 L HN -0.090 nan 8.230 nan 0.000 0.433 313 I N 0.297 120.782 120.570 -0.141 0.000 2.091 313 I HA -0.220 3.949 4.170 -0.001 0.000 0.239 313 I C 0.044 176.125 176.117 -0.060 0.000 1.061 313 I CA 1.787 63.029 61.300 -0.096 0.000 1.317 313 I CB -2.933 35.025 38.000 -0.070 0.000 1.031 313 I HN 0.226 nan 8.210 nan 0.000 0.401 314 P HA -0.130 nan 4.420 nan 0.000 0.216 314 P C 1.712 179.001 177.300 -0.019 0.000 1.153 314 P CA 2.169 65.256 63.100 -0.022 0.000 0.858 314 P CB -0.051 31.643 31.700 -0.010 0.000 0.789 315 A N -0.181 122.625 122.820 -0.023 0.000 1.933 315 A HA -0.107 4.213 4.320 -0.001 0.000 0.218 315 A C 2.306 179.881 177.584 -0.015 0.000 1.175 315 A CA 2.059 54.089 52.037 -0.011 0.000 0.628 315 A CB -1.576 17.422 19.000 -0.003 0.000 0.814 315 A HN 0.203 nan 8.150 nan 0.000 0.444 316 A N -0.380 122.417 122.820 -0.038 0.000 1.969 316 A HA 0.067 4.386 4.320 -0.001 0.000 0.218 316 A C 1.997 179.568 177.584 -0.022 0.000 1.169 316 A CA 1.212 53.227 52.037 -0.036 0.000 0.635 316 A CB -0.517 18.441 19.000 -0.071 0.000 0.810 316 A HN 0.459 nan 8.150 nan 0.000 0.445 317 L N -0.403 120.806 121.223 -0.023 0.000 2.456 317 L HA -0.065 4.275 4.340 -0.001 0.000 0.224 317 L C 2.019 178.885 176.870 -0.007 0.000 1.148 317 L CA 0.439 55.270 54.840 -0.015 0.000 0.825 317 L CB -0.356 41.693 42.059 -0.015 0.000 0.937 317 L HN 0.400 nan 8.230 nan 0.000 0.450 318 I N -0.724 119.844 120.570 -0.003 0.000 2.500 318 I HA -0.143 4.027 4.170 -0.001 0.000 0.252 318 I C 0.834 176.954 176.117 0.005 0.000 1.142 318 I CA 0.311 61.613 61.300 0.002 0.000 1.451 318 I CB -0.081 37.923 38.000 0.007 0.000 1.093 318 I HN 0.188 nan 8.210 nan 0.000 0.430 319 D N 1.925 122.327 120.400 0.005 0.000 2.488 319 D HA -0.035 4.605 4.640 -0.001 0.000 0.238 319 D C -1.336 174.968 176.300 0.006 0.000 1.138 319 D CA -0.969 53.036 54.000 0.008 0.000 0.873 319 D CB 0.975 41.781 40.800 0.010 0.000 1.183 319 D HN 0.042 nan 8.370 nan 0.000 0.458 320 P HA -0.065 nan 4.420 nan 0.000 0.229 320 P C -0.084 177.219 177.300 0.006 0.000 1.160 320 P CA 0.239 63.343 63.100 0.006 0.000 0.777 320 P CB 0.189 31.893 31.700 0.007 0.000 0.814 321 D N 1.445 121.850 120.400 0.007 0.000 2.363 321 D HA 0.036 4.675 4.640 -0.001 0.000 0.263 321 D C -1.460 174.843 176.300 0.005 0.000 1.258 321 D CA -2.048 51.957 54.000 0.008 0.000 0.907 321 D CB 0.875 41.682 40.800 0.011 0.000 1.107 321 D HN -0.015 nan 8.370 nan 0.000 0.495 322 P HA -0.169 nan 4.420 nan 0.000 0.217 322 P C 0.996 178.297 177.300 0.001 0.000 1.148 322 P CA 1.021 64.122 63.100 0.002 0.000 0.828 322 P CB 0.367 32.068 31.700 0.002 0.000 0.783 323 E N -0.585 119.617 120.200 0.004 0.000 2.072 323 E HA -0.112 4.238 4.350 -0.001 0.000 0.190 323 E C 1.789 178.391 176.600 0.004 0.000 0.982 323 E CA 0.919 57.322 56.400 0.005 0.000 0.803 323 E CB -0.946 28.759 29.700 0.010 0.000 0.755 323 E HN -0.070 nan 8.360 nan 0.000 0.453 324 V N 0.862 120.779 119.914 0.005 0.000 2.427 324 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 324 V C 2.241 178.330 176.094 -0.009 0.000 1.051 324 V CA 2.045 64.346 62.300 0.001 0.000 1.048 324 V CB -0.537 31.289 31.823 0.006 0.000 0.666 324 V HN 0.327 nan 8.190 nan 0.000 0.456 325 Q N 0.019 119.815 119.800 -0.007 0.000 2.079 325 Q HA -0.124 4.215 4.340 -0.001 0.000 0.200 325 Q C 2.452 178.445 176.000 -0.013 0.000 0.974 325 Q CA 1.678 57.475 55.803 -0.011 0.000 0.840 325 Q CB -0.425 28.309 28.738 -0.007 0.000 0.898 325 Q HN 0.656 nan 8.270 nan 0.000 0.430 326 A N 1.375 124.190 122.820 -0.009 0.000 1.877 326 A HA -0.145 4.175 4.320 -0.001 0.000 0.216 326 A C 2.347 179.922 177.584 -0.015 0.000 1.186 326 A CA 1.653 53.684 52.037 -0.010 0.000 0.620 326 A CB -0.900 18.096 19.000 -0.007 0.000 0.822 326 A HN 0.395 nan 8.150 nan 0.000 0.443 327 A N -0.155 122.656 122.820 -0.015 0.000 1.908 327 A HA 0.123 4.443 4.320 -0.001 0.000 0.218 327 A C 2.505 180.071 177.584 -0.031 0.000 1.181 327 A CA 2.220 54.245 52.037 -0.020 0.000 0.627 327 A CB -1.023 17.970 19.000 -0.012 0.000 0.818 327 A HN 1.093 nan 8.150 nan 0.000 0.445 328 A N -0.284 122.514 122.820 -0.037 0.000 1.902 328 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 328 A C 2.244 179.811 177.584 -0.030 0.000 1.181 328 A CA 1.460 53.468 52.037 -0.047 0.000 0.623 328 A CB -0.442 18.528 19.000 -0.049 0.000 0.818 328 A HN 0.551 nan 8.150 nan 0.000 0.443 329 R N -1.238 119.249 120.500 -0.021 0.000 2.115 329 R HA -0.029 4.310 4.340 -0.001 0.000 0.226 329 R C 2.049 178.345 176.300 -0.006 0.000 1.100 329 R CA 1.182 57.274 56.100 -0.013 0.000 0.980 329 R CB -0.457 29.836 30.300 -0.011 0.000 0.875 329 R HN 0.505 nan 8.270 nan 0.000 0.445 330 L N 0.971 122.186 121.223 -0.014 0.000 2.056 330 L HA -0.085 4.255 4.340 -0.001 0.000 0.207 330 L C 1.920 178.790 176.870 -0.000 0.000 1.078 330 L CA 1.565 56.394 54.840 -0.019 0.000 0.749 330 L CB -0.225 41.808 42.059 -0.042 0.000 0.901 330 L HN 0.072 nan 8.230 nan 0.000 0.433 331 L N -0.590 120.637 121.223 0.006 0.000 2.141 331 L HA -0.102 4.237 4.340 -0.001 0.000 0.209 331 L C 2.618 179.551 176.870 0.105 0.000 1.094 331 L CA 0.983 55.865 54.840 0.070 0.000 0.763 331 L CB -0.802 41.282 42.059 0.041 0.000 0.908 331 L HN 0.362 nan 8.230 nan 0.000 0.437 332 A N -0.123 122.719 122.820 0.037 0.000 1.969 332 A HA -0.050 4.270 4.320 -0.001 0.000 0.218 332 A C 2.401 180.002 177.584 0.029 0.000 1.169 332 A CA 1.467 53.513 52.037 0.016 0.000 0.635 332 A CB -0.491 18.505 19.000 -0.007 0.000 0.810 332 A HN 0.368 nan 8.150 nan 0.000 0.445 333 A N -1.972 120.877 122.820 0.049 0.000 2.169 333 A HA 0.158 4.478 4.320 -0.001 0.000 0.212 333 A C 0.723 178.369 177.584 0.103 0.000 1.153 333 A CA -0.054 52.012 52.037 0.048 0.000 0.756 333 A CB -0.419 18.600 19.000 0.032 0.000 0.813 333 A HN 0.656 nan 8.150 nan 0.000 0.471 334 W N 2.675 123.914 121.300 -0.102 0.000 2.210 334 W HA 0.290 4.950 4.660 -0.001 0.000 0.330 334 W C 0.188 176.616 176.519 -0.152 0.000 1.334 334 W CA -0.342 56.923 57.345 -0.132 0.000 1.227 334 W CB 0.614 29.977 29.460 -0.162 0.000 1.178 334 W HN 0.406 nan 8.180 nan 0.000 0.560 335 D N 3.716 123.976 120.400 -0.232 0.000 2.336 335 D HA -0.093 4.547 4.640 -0.001 0.000 0.229 335 D C 0.594 176.400 176.300 -0.824 0.000 1.061 335 D CA 0.156 53.916 54.000 -0.401 0.000 0.875 335 D CB -0.267 40.405 40.800 -0.212 0.000 0.904 335 D HN 0.631 nan 8.370 nan 0.000 0.525 336 R N -0.702 118.709 120.500 -1.816 0.000 3.651 336 R HA -0.126 4.213 4.340 -0.001 0.000 0.292 336 R C -0.784 174.632 176.300 -1.473 0.000 1.161 336 R CA 0.789 55.518 56.100 -2.284 0.000 0.787 336 R CB -1.838 27.701 30.300 -1.267 0.000 1.249 336 R HN 0.328 nan 8.270 nan 0.000 0.476 337 E N 0.132 119.726 120.200 -1.010 0.000 2.212 337 E HA 0.224 4.574 4.350 -0.001 0.000 0.268 337 E C -0.251 176.131 176.600 -0.363 0.000 0.902 337 E CA -0.787 55.333 56.400 -0.467 0.000 0.779 337 E CB 0.685 30.313 29.700 -0.121 0.000 1.172 337 E HN 0.086 nan 8.360 nan 0.000 0.409 338 F N 1.810 121.553 119.950 -0.345 0.000 2.640 338 F HA 0.044 4.571 4.527 -0.001 0.000 0.354 338 F C 1.206 176.505 175.800 -0.835 0.000 1.213 338 F CA -0.388 57.220 58.000 -0.654 0.000 1.314 338 F CB -0.013 38.685 39.000 -0.502 0.000 1.679 338 F HN 0.140 nan 8.300 nan 0.000 0.622 339 T N -3.486 110.846 114.554 -0.370 0.000 2.874 339 T HA 0.166 4.515 4.350 -0.001 0.000 0.281 339 T C 1.357 176.059 174.700 0.003 0.000 0.994 339 T CA -0.787 61.212 62.100 -0.169 0.000 1.015 339 T CB 1.758 70.609 68.868 -0.028 0.000 1.028 339 T HN 0.212 nan 8.240 nan 0.000 0.523 340 S N 1.125 116.879 115.700 0.090 0.000 2.383 340 S HA -0.117 4.352 4.470 -0.001 0.000 0.229 340 S C 1.598 176.247 174.600 0.082 0.000 1.030 340 S CA 1.447 59.722 58.200 0.126 0.000 1.002 340 S CB -0.491 62.746 63.200 0.062 0.000 0.829 340 S HN 0.983 nan 8.310 nan 0.000 0.467 341 D N 0.855 121.284 120.400 0.048 0.000 2.340 341 D HA 0.094 4.733 4.640 -0.001 0.000 0.220 341 D C 0.457 176.766 176.300 0.015 0.000 1.039 341 D CA 0.000 54.015 54.000 0.025 0.000 0.866 341 D CB -0.387 40.425 40.800 0.020 0.000 0.913 341 D HN 0.145 nan 8.370 nan 0.000 0.523 342 S N 0.238 115.949 115.700 0.017 0.000 2.516 342 S HA 0.125 4.594 4.470 -0.001 0.000 0.282 342 S C 0.945 175.476 174.600 -0.115 0.000 1.286 342 S CA -0.536 57.636 58.200 -0.047 0.000 1.066 342 S CB 0.491 63.643 63.200 -0.080 0.000 0.884 342 S HN 0.210 nan 8.310 nan 0.000 0.491 343 R N 3.450 123.850 120.500 -0.165 0.000 2.334 343 R HA 0.230 4.570 4.340 -0.001 0.000 0.216 343 R C 1.538 177.681 176.300 -0.262 0.000 0.905 343 R CA 0.617 56.620 56.100 -0.161 0.000 1.064 343 R CB 0.121 30.361 30.300 -0.100 0.000 1.046 343 R HN 0.638 nan 8.270 nan 0.000 0.508 344 A N 0.657 123.170 122.820 -0.511 0.000 2.167 344 A HA 0.333 4.652 4.320 -0.001 0.000 0.208 344 A C 2.102 179.163 177.584 -0.872 0.000 1.198 344 A CA 0.525 52.165 52.037 -0.661 0.000 0.863 344 A CB 0.131 18.681 19.000 -0.749 0.000 0.904 344 A HN 0.224 nan 8.150 nan 0.000 0.484 345 A N 0.647 122.865 122.820 -1.003 0.000 1.883 345 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 345 A C 2.071 179.658 177.584 0.005 0.000 1.186 345 A CA 1.645 53.329 52.037 -0.589 0.000 0.624 345 A CB -0.682 18.151 19.000 -0.278 0.000 0.822 345 A HN 0.467 nan 8.150 nan 0.000 0.444 346 L N -1.190 120.036 121.223 0.006 0.000 2.017 346 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 346 L C 2.594 179.515 176.870 0.086 0.000 1.073 346 L CA 1.387 56.217 54.840 -0.017 0.000 0.745 346 L CB -0.630 41.194 42.059 -0.391 0.000 0.894 346 L HN 0.503 nan 8.230 nan 0.000 0.432 347 L N -0.537 120.705 121.223 0.031 0.000 2.042 347 L HA -0.254 4.086 4.340 -0.001 0.000 0.210 347 L C 2.380 179.355 176.870 0.174 0.000 1.076 347 L CA 1.715 56.612 54.840 0.094 0.000 0.749 347 L CB -0.687 41.389 42.059 0.027 0.000 0.893 347 L HN 0.103 nan 8.230 nan 0.000 0.432 348 F N 0.760 120.726 119.950 0.027 0.000 2.102 348 F HA -0.209 4.318 4.527 -0.001 0.000 0.298 348 F C 2.318 178.329 175.800 0.350 0.000 1.105 348 F CA 2.080 60.189 58.000 0.183 0.000 1.239 348 F CB -0.333 38.750 39.000 0.138 0.000 0.991 348 F HN 0.255 nan 8.300 nan 0.000 0.474 349 E N -0.205 120.178 120.200 0.305 0.000 2.085 349 E HA -0.235 4.115 4.350 -0.001 0.000 0.194 349 E C 2.083 178.838 176.600 0.259 0.000 0.994 349 E CA 1.424 57.988 56.400 0.273 0.000 0.801 349 E CB -0.261 29.689 29.700 0.417 0.000 0.743 349 E HN 0.423 nan 8.360 nan 0.000 0.453 350 E N 0.068 120.412 120.200 0.241 0.000 2.110 350 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 350 E C 1.624 178.308 176.600 0.140 0.000 0.988 350 E CA 0.781 57.298 56.400 0.195 0.000 0.804 350 E CB -0.349 29.470 29.700 0.198 0.000 0.745 350 E HN 0.436 nan 8.360 nan 0.000 0.458 351 W N 1.579 122.850 121.300 -0.047 0.000 2.381 351 W HA -0.057 4.603 4.660 -0.001 0.000 0.301 351 W C 2.321 178.791 176.519 -0.081 0.000 1.205 351 W CA 2.084 59.377 57.345 -0.087 0.000 1.285 351 W CB -0.336 29.027 29.460 -0.161 0.000 1.133 351 W HN 0.030 nan 8.180 nan 0.000 0.521 352 A N 0.796 123.500 122.820 -0.192 0.000 1.972 352 A HA -0.167 4.153 4.320 -0.001 0.000 0.219 352 A C 1.996 179.599 177.584 0.032 0.000 1.169 352 A CA 1.653 53.569 52.037 -0.202 0.000 0.635 352 A CB -0.716 18.227 19.000 -0.094 0.000 0.810 352 A HN 0.405 nan 8.150 nan 0.000 0.446 353 R N -0.629 119.930 120.500 0.098 0.000 2.120 353 R HA -0.059 4.280 4.340 -0.001 0.000 0.234 353 R C 1.858 178.032 176.300 -0.210 0.000 1.123 353 R CA 1.476 57.496 56.100 -0.133 0.000 0.975 353 R CB -0.391 29.832 30.300 -0.128 0.000 0.866 353 R HN 0.540 nan 8.270 nan 0.000 0.446 354 L N -1.284 119.800 121.223 -0.233 0.000 2.127 354 L HA -0.042 4.297 4.340 -0.001 0.000 0.203 354 L C 2.183 178.857 176.870 -0.326 0.000 1.080 354 L CA 0.594 55.282 54.840 -0.253 0.000 0.768 354 L CB -0.410 41.517 42.059 -0.220 0.000 0.924 354 L HN 0.080 nan 8.230 nan 0.000 0.444 355 F N 1.270 120.790 119.950 -0.717 0.000 2.134 355 F HA -0.117 4.410 4.527 -0.001 0.000 0.299 355 F C 1.926 177.446 175.800 -0.465 0.000 1.097 355 F CA 1.382 58.919 58.000 -0.772 0.000 1.264 355 F CB 0.056 38.154 39.000 -1.503 0.000 1.001 355 F HN -0.031 nan 8.300 nan 0.000 0.479 356 A N -0.265 122.370 122.820 -0.307 0.000 2.589 356 A HA 0.593 4.913 4.320 -0.001 0.000 0.283 356 A C 0.775 178.267 177.584 -0.152 0.000 1.187 356 A CA 0.341 52.250 52.037 -0.214 0.000 0.957 356 A CB -0.870 18.182 19.000 0.088 0.000 1.175 356 A HN 0.919 nan 8.150 nan 0.000 0.532 357 G N -0.763 107.906 108.800 -0.218 0.000 2.781 357 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.683 357 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.683 357 G C 0.279 174.952 174.900 -0.378 0.000 1.390 357 G CA -0.097 44.861 45.100 -0.237 0.000 0.850 357 G HN 0.103 nan 8.290 nan 0.000 0.557 358 Q N 0.358 119.933 119.800 -0.376 0.000 2.181 358 Q HA -0.131 4.209 4.340 -0.001 0.000 0.205 358 Q C 2.278 177.818 176.000 -0.768 0.000 0.980 358 Q CA 2.159 57.648 55.803 -0.524 0.000 0.862 358 Q CB -0.258 28.288 28.738 -0.319 0.000 0.905 358 Q HN 0.856 nan 8.270 nan 0.000 0.429 359 N N -0.854 117.546 118.700 -0.499 0.000 2.336 359 N HA -0.050 4.689 4.740 -0.001 0.000 0.189 359 N C -0.041 175.352 175.510 -0.194 0.000 1.113 359 N CA -0.076 52.758 53.050 -0.359 0.000 0.858 359 N CB -0.549 37.853 38.487 -0.142 0.000 0.970 359 N HN 0.159 nan 8.380 nan 0.000 0.471 360 F N -1.894 118.018 119.950 -0.062 0.000 2.973 360 F HA -0.326 4.200 4.527 -0.001 0.000 0.299 360 F C 1.273 177.116 175.800 0.072 0.000 0.737 360 F CA 0.463 58.466 58.000 0.006 0.000 1.151 360 F CB -1.670 37.355 39.000 0.042 0.000 1.440 360 F HN 0.324 nan 8.300 nan 0.000 0.367 361 A N 0.337 123.245 122.820 0.147 0.000 2.308 361 A HA 0.534 4.854 4.320 -0.001 0.000 0.217 361 A C 1.533 179.183 177.584 0.111 0.000 1.216 361 A CA 0.528 52.648 52.037 0.138 0.000 0.864 361 A CB -0.457 18.592 19.000 0.082 0.000 0.902 361 A HN 0.458 nan 8.150 nan 0.000 0.499 362 G N -0.845 107.993 108.800 0.063 0.000 2.432 362 G HA2 0.358 4.318 3.960 -0.001 0.000 0.239 362 G HA3 0.358 4.318 3.960 -0.001 0.000 0.239 362 G C 0.395 175.359 174.900 0.106 0.000 1.291 362 G CA -0.172 44.934 45.100 0.011 0.000 0.863 362 G HN 0.245 nan 8.290 nan 0.000 0.560 363 Q N 1.363 121.229 119.800 0.110 0.000 2.316 363 Q HA 0.126 4.466 4.340 -0.001 0.000 0.235 363 Q C 2.501 178.607 176.000 0.177 0.000 0.863 363 Q CA 0.545 56.511 55.803 0.272 0.000 0.939 363 Q CB 0.572 29.433 28.738 0.205 0.000 1.108 363 Q HN 0.663 nan 8.270 nan 0.000 0.522 364 A N 0.923 123.734 122.820 -0.015 0.000 2.024 364 A HA -0.072 4.247 4.320 -0.001 0.000 0.220 364 A C 2.092 179.578 177.584 -0.163 0.000 1.164 364 A CA 1.760 53.758 52.037 -0.064 0.000 0.643 364 A CB -0.726 18.216 19.000 -0.096 0.000 0.806 364 A HN 0.384 nan 8.150 nan 0.000 0.451 365 G N -1.599 106.909 108.800 -0.486 0.000 2.572 365 G HA2 0.227 4.186 3.960 -0.001 0.000 0.216 365 G HA3 0.227 4.186 3.960 -0.001 0.000 0.216 365 G C 0.384 175.124 174.900 -0.268 0.000 1.133 365 G CA -0.244 44.414 45.100 -0.736 0.000 0.791 365 G HN 0.359 nan 8.290 nan 0.000 0.538 366 F N -0.053 119.931 119.950 0.056 0.000 2.418 366 F HA 0.469 4.995 4.527 -0.001 0.000 0.341 366 F C 1.553 177.453 175.800 0.167 0.000 1.120 366 F CA -0.200 57.940 58.000 0.233 0.000 1.232 366 F CB 1.502 40.634 39.000 0.219 0.000 1.175 366 F HN 0.040 nan 8.300 nan 0.000 0.569 367 A N 1.232 124.273 122.820 0.368 0.000 1.874 367 A HA 0.043 4.363 4.320 -0.001 0.000 0.214 367 A C 0.905 178.638 177.584 0.248 0.000 1.189 367 A CA 0.927 53.116 52.037 0.253 0.000 0.615 367 A CB -0.455 18.674 19.000 0.216 0.000 0.830 367 A HN 0.628 nan 8.150 nan 0.000 0.443 368 T N 2.678 117.409 114.554 0.296 0.000 2.772 368 T HA 0.479 4.828 4.350 -0.001 0.000 0.288 368 T C -2.749 172.075 174.700 0.206 0.000 0.994 368 T CA -1.218 61.021 62.100 0.231 0.000 0.951 368 T CB 1.827 70.845 68.868 0.249 0.000 0.933 368 T HN 0.222 nan 8.240 nan 0.000 0.447 369 P HA 0.084 nan 4.420 nan 0.000 0.272 369 P C -0.321 177.055 177.300 0.127 0.000 1.240 369 P CA -0.683 62.512 63.100 0.158 0.000 0.791 369 P CB 0.914 32.703 31.700 0.148 0.000 0.978 370 W N 1.958 123.248 121.300 -0.017 0.000 2.170 370 W HA 0.266 4.925 4.660 -0.001 0.000 0.342 370 W C -0.042 176.471 176.519 -0.010 0.000 1.294 370 W CA 1.209 58.533 57.345 -0.035 0.000 1.246 370 W CB 0.408 29.846 29.460 -0.038 0.000 1.156 370 W HN 0.307 nan 8.180 nan 0.000 0.572 371 S N 5.379 120.468 115.700 -1.018 0.000 2.572 371 S HA 0.195 4.665 4.470 -0.001 0.000 0.274 371 S C -0.034 173.714 174.600 -1.421 0.000 1.150 371 S CA -0.847 56.824 58.200 -0.882 0.000 0.944 371 S CB 1.042 63.991 63.200 -0.420 0.000 1.071 371 S HN 0.629 nan 8.310 nan 0.000 0.479 372 L N 3.661 124.224 121.223 -1.101 0.000 2.353 372 L HA 0.116 4.456 4.340 -0.001 0.000 0.220 372 L C 1.407 178.076 176.870 -0.334 0.000 1.133 372 L CA 1.969 56.385 54.840 -0.707 0.000 0.798 372 L CB -0.391 41.552 42.059 -0.194 0.000 0.922 372 L HN 0.733 nan 8.230 nan 0.000 0.445 373 D N -0.139 120.081 120.400 -0.299 0.000 2.317 373 D HA -0.059 4.580 4.640 -0.001 0.000 0.211 373 D C 0.676 176.912 176.300 -0.106 0.000 0.966 373 D CA 0.873 54.791 54.000 -0.137 0.000 0.876 373 D CB 0.197 40.927 40.800 -0.116 0.000 0.927 373 D HN 0.371 nan 8.370 nan 0.000 0.519 374 K N 0.707 120.962 120.400 -0.242 0.000 3.146 374 K HA 0.140 4.460 4.320 -0.001 0.000 0.168 374 K C -2.029 174.391 176.600 -0.301 0.000 1.075 374 K CA -0.963 55.212 56.287 -0.187 0.000 0.843 374 K CB 2.282 34.680 32.500 -0.170 0.000 1.002 374 K HN -0.099 nan 8.250 nan 0.000 0.597 375 P HA -0.143 nan 4.420 nan 0.000 0.223 375 P C 0.859 178.210 177.300 0.086 0.000 1.144 375 P CA 1.207 64.239 63.100 -0.114 0.000 0.783 375 P CB 0.145 31.860 31.700 0.025 0.000 0.771 376 V N -3.864 116.012 119.914 -0.062 0.000 3.253 376 V HA 0.346 4.466 4.120 -0.001 0.000 0.320 376 V C 1.119 177.211 176.094 -0.004 0.000 1.442 376 V CA 0.570 62.858 62.300 -0.020 0.000 1.097 376 V CB -0.471 31.255 31.823 -0.160 0.000 1.008 376 V HN 0.170 nan 8.190 nan 0.000 0.463 377 S N -0.571 115.123 115.700 -0.011 0.000 2.847 377 S HA 0.345 4.814 4.470 -0.001 0.000 0.254 377 S C 0.574 175.194 174.600 0.032 0.000 1.039 377 S CA 0.416 58.616 58.200 -0.001 0.000 1.113 377 S CB 0.273 63.443 63.200 -0.049 0.000 1.092 377 S HN 0.903 nan 8.310 nan 0.000 0.620 378 T N -0.048 114.532 114.554 0.044 0.000 2.906 378 T HA 0.706 5.056 4.350 -0.001 0.000 0.295 378 T C -3.454 171.381 174.700 0.225 0.000 1.075 378 T CA -2.128 60.010 62.100 0.062 0.000 1.005 378 T CB 2.079 70.892 68.868 -0.092 0.000 1.136 378 T HN -0.055 nan 8.240 nan 0.000 0.498 379 P HA 0.325 nan 4.420 nan 0.000 0.275 379 P C -1.480 175.771 177.300 -0.081 0.000 1.266 379 P CA -0.227 62.771 63.100 -0.170 0.000 0.793 379 P CB 0.472 31.783 31.700 -0.649 0.000 1.074 380 Y N -1.218 119.104 120.300 0.037 0.000 2.624 380 Y HA 0.473 5.023 4.550 -0.001 0.000 0.334 380 Y C -0.251 175.898 175.900 0.415 0.000 1.155 380 Y CA 0.628 58.878 58.100 0.250 0.000 1.046 380 Y CB 1.377 39.917 38.460 0.133 0.000 1.316 380 Y HN 0.994 nan 8.280 nan 0.000 0.457 381 G N 1.201 109.458 108.800 -0.906 0.000 2.787 381 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.685 381 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.685 381 G C -2.061 172.861 174.900 0.037 0.000 1.437 381 G CA -0.563 44.227 45.100 -0.518 0.000 0.872 381 G HN 1.153 nan 8.290 nan 0.000 0.566 382 V N 2.353 122.288 119.914 0.035 0.000 2.328 382 V HA 0.402 4.521 4.120 -0.001 0.000 0.278 382 V C 1.735 177.934 176.094 0.175 0.000 1.021 382 V CA 0.399 62.796 62.300 0.162 0.000 0.838 382 V CB 1.182 33.061 31.823 0.093 0.000 0.999 382 V HN 0.975 nan 8.190 nan 0.000 0.447 383 R N 2.965 123.591 120.500 0.209 0.000 2.091 383 R HA -0.109 4.231 4.340 -0.001 0.000 0.238 383 R C 0.471 176.846 176.300 0.125 0.000 1.136 383 R CA 1.707 57.899 56.100 0.154 0.000 0.959 383 R CB 0.285 30.663 30.300 0.131 0.000 0.856 383 R HN 0.728 nan 8.270 nan 0.000 0.437 384 D N -0.916 119.568 120.400 0.139 0.000 2.412 384 D HA 0.212 4.851 4.640 -0.001 0.000 0.276 384 D C -2.103 174.276 176.300 0.132 0.000 1.196 384 D CA -2.381 51.686 54.000 0.113 0.000 0.905 384 D CB 1.658 42.512 40.800 0.090 0.000 1.081 384 D HN -0.055 nan 8.370 nan 0.000 0.502 385 P HA -0.191 nan 4.420 nan 0.000 0.215 385 P C 1.428 178.785 177.300 0.094 0.000 1.157 385 P CA 0.950 64.108 63.100 0.097 0.000 0.874 385 P CB 0.397 32.134 31.700 0.062 0.000 0.790 386 K N 0.115 120.561 120.400 0.077 0.000 2.063 386 K HA -0.129 4.190 4.320 -0.001 0.000 0.208 386 K C 1.909 178.559 176.600 0.084 0.000 1.048 386 K CA 2.028 58.356 56.287 0.068 0.000 0.928 386 K CB -0.949 31.583 32.500 0.053 0.000 0.713 386 K HN 0.024 nan 8.250 nan 0.000 0.442 387 A N 0.658 123.534 122.820 0.094 0.000 1.969 387 A HA 0.011 4.330 4.320 -0.001 0.000 0.218 387 A C 2.310 179.986 177.584 0.153 0.000 1.169 387 A CA 1.744 53.840 52.037 0.098 0.000 0.635 387 A CB -0.494 18.553 19.000 0.078 0.000 0.810 387 A HN 0.409 nan 8.150 nan 0.000 0.445 388 A N -0.568 122.381 122.820 0.215 0.000 1.969 388 A HA 0.059 4.379 4.320 -0.001 0.000 0.218 388 A C 2.127 179.926 177.584 0.360 0.000 1.169 388 A CA 1.605 53.867 52.037 0.376 0.000 0.635 388 A CB -0.656 18.597 19.000 0.421 0.000 0.810 388 A HN 0.346 nan 8.150 nan 0.000 0.445 389 V N 0.378 120.403 119.914 0.186 0.000 2.548 389 V HA -0.178 3.942 4.120 -0.001 0.000 0.249 389 V C 1.984 178.156 176.094 0.129 0.000 1.055 389 V CA 2.068 64.439 62.300 0.118 0.000 1.065 389 V CB -0.659 31.200 31.823 0.059 0.000 0.681 389 V HN 0.456 nan 8.190 nan 0.000 0.462 390 D N -0.234 120.239 120.400 0.123 0.000 2.144 390 D HA -0.149 4.490 4.640 -0.001 0.000 0.200 390 D C 2.346 178.718 176.300 0.121 0.000 0.978 390 D CA 1.053 55.111 54.000 0.097 0.000 0.833 390 D CB -0.120 40.722 40.800 0.071 0.000 0.961 390 D HN 0.507 nan 8.370 nan 0.000 0.470 391 Q N -0.226 119.679 119.800 0.174 0.000 2.119 391 Q HA -0.100 4.239 4.340 -0.001 0.000 0.201 391 Q C 2.139 178.315 176.000 0.293 0.000 0.972 391 Q CA 0.503 56.408 55.803 0.170 0.000 0.847 391 Q CB -0.048 28.756 28.738 0.111 0.000 0.903 391 Q HN 0.186 nan 8.270 nan 0.000 0.433 392 L N 0.964 122.438 121.223 0.419 0.000 2.083 392 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 392 L C 2.314 179.287 176.870 0.172 0.000 1.083 392 L CA 1.691 56.737 54.840 0.344 0.000 0.752 392 L CB -0.378 41.738 42.059 0.095 0.000 0.899 392 L HN 0.042 nan 8.230 nan 0.000 0.433 393 R N -1.199 119.375 120.500 0.124 0.000 2.083 393 R HA -0.162 4.178 4.340 -0.001 0.000 0.237 393 R C 1.990 178.334 176.300 0.075 0.000 1.137 393 R CA 2.103 58.250 56.100 0.078 0.000 0.951 393 R CB -0.410 29.926 30.300 0.061 0.000 0.851 393 R HN 0.426 nan 8.270 nan 0.000 0.434 394 T N 0.450 115.052 114.554 0.081 0.000 2.821 394 T HA -0.057 4.292 4.350 -0.001 0.000 0.267 394 T C 1.776 176.517 174.700 0.069 0.000 1.046 394 T CA 1.165 63.300 62.100 0.059 0.000 1.139 394 T CB -0.204 68.689 68.868 0.041 0.000 0.871 394 T HN 0.430 nan 8.240 nan 0.000 0.454 395 A N 1.206 124.093 122.820 0.112 0.000 1.933 395 A HA -0.017 4.303 4.320 -0.001 0.000 0.218 395 A C 2.255 179.906 177.584 0.112 0.000 1.175 395 A CA 1.107 53.222 52.037 0.130 0.000 0.628 395 A CB -0.779 18.359 19.000 0.229 0.000 0.814 395 A HN 0.525 nan 8.150 nan 0.000 0.444 396 I N -0.321 120.307 120.570 0.097 0.000 2.226 396 I HA -0.298 3.871 4.170 -0.001 0.000 0.245 396 I C 2.966 179.118 176.117 0.058 0.000 1.100 396 I CA 1.108 62.452 61.300 0.073 0.000 1.374 396 I CB -0.330 37.703 38.000 0.054 0.000 1.057 396 I HN 0.368 nan 8.210 nan 0.000 0.413 397 A N 0.925 123.773 122.820 0.047 0.000 1.898 397 A HA -0.198 4.122 4.320 -0.001 0.000 0.216 397 A C 2.041 179.638 177.584 0.023 0.000 1.181 397 A CA 1.843 53.897 52.037 0.029 0.000 0.620 397 A CB -0.626 18.387 19.000 0.021 0.000 0.819 397 A HN 0.398 nan 8.150 nan 0.000 0.442 398 N N -0.115 118.604 118.700 0.031 0.000 2.166 398 N HA -0.095 4.645 4.740 -0.001 0.000 0.186 398 N C 1.689 177.214 175.510 0.024 0.000 1.019 398 N CA 1.889 54.948 53.050 0.016 0.000 0.856 398 N CB -0.840 37.663 38.487 0.026 0.000 0.993 398 N HN 0.497 nan 8.380 nan 0.000 0.426 399 T N 1.200 115.808 114.554 0.089 0.000 2.777 399 T HA -0.035 4.314 4.350 -0.001 0.000 0.266 399 T C 1.826 176.602 174.700 0.128 0.000 1.040 399 T CA 1.026 63.233 62.100 0.179 0.000 1.141 399 T CB 0.022 69.004 68.868 0.190 0.000 0.868 399 T HN 0.282 nan 8.240 nan 0.000 0.444 400 K N 0.653 121.093 120.400 0.066 0.000 2.097 400 K HA 0.005 4.324 4.320 -0.001 0.000 0.205 400 K C 2.561 179.156 176.600 -0.008 0.000 1.050 400 K CA 0.761 57.071 56.287 0.039 0.000 0.938 400 K CB -0.102 32.414 32.500 0.027 0.000 0.718 400 K HN 0.170 nan 8.250 nan 0.000 0.442 401 R N 1.659 122.139 120.500 -0.034 0.000 2.081 401 R HA -0.131 4.209 4.340 -0.001 0.000 0.235 401 R C 1.758 177.975 176.300 -0.139 0.000 1.131 401 R CA 1.606 57.666 56.100 -0.067 0.000 0.960 401 R CB 0.131 30.395 30.300 -0.061 0.000 0.856 401 R HN 0.057 nan 8.270 nan 0.000 0.436 402 K N -1.098 119.153 120.400 -0.247 0.000 2.044 402 K HA -0.089 4.231 4.320 -0.001 0.000 0.204 402 K C 1.431 177.654 176.600 -0.628 0.000 1.049 402 K CA 1.353 57.321 56.287 -0.531 0.000 0.945 402 K CB 0.116 32.079 32.500 -0.895 0.000 0.724 402 K HN 0.294 nan 8.250 nan 0.000 0.440 403 Y N -1.144 119.144 120.300 -0.021 0.000 2.444 403 Y HA 0.231 4.781 4.550 -0.001 0.000 0.249 403 Y C 1.317 177.198 175.900 -0.032 0.000 1.134 403 Y CA 0.018 58.096 58.100 -0.036 0.000 1.261 403 Y CB 1.356 39.788 38.460 -0.046 0.000 1.143 403 Y HN 0.235 nan 8.280 nan 0.000 0.523 404 G N 0.470 109.311 108.800 0.069 0.000 2.176 404 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.253 404 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.253 404 G C 0.113 175.040 174.900 0.045 0.000 0.979 404 G CA 0.026 45.150 45.100 0.041 0.000 0.641 404 G HN 0.863 nan 8.290 nan 0.000 0.530 405 A N -1.261 121.601 122.820 0.071 0.000 2.567 405 A HA 0.698 5.017 4.320 -0.001 0.000 0.291 405 A C 0.618 178.237 177.584 0.058 0.000 1.048 405 A CA 0.023 52.088 52.037 0.046 0.000 0.661 405 A CB -0.198 18.817 19.000 0.024 0.000 1.288 405 A HN 1.461 nan 8.150 nan 0.000 0.424 406 I N -2.116 118.473 120.570 0.032 0.000 3.728 406 I HA 0.249 4.419 4.170 -0.001 0.000 0.307 406 I C 0.438 176.545 176.117 -0.017 0.000 1.276 406 I CA 1.043 62.358 61.300 0.025 0.000 1.285 406 I CB 0.074 38.084 38.000 0.018 0.000 1.038 406 I HN 0.451 nan 8.210 nan 0.000 0.445 407 D N 1.368 121.752 120.400 -0.026 0.000 2.696 407 D HA 0.106 4.745 4.640 -0.001 0.000 0.269 407 D C 0.386 176.650 176.300 -0.061 0.000 1.319 407 D CA -0.408 53.558 54.000 -0.056 0.000 0.826 407 D CB -0.158 40.614 40.800 -0.046 0.000 1.086 407 D HN 0.307 nan 8.370 nan 0.000 0.481 408 R N 1.199 121.660 120.500 -0.065 0.000 2.491 408 R HA 0.298 4.637 4.340 -0.001 0.000 0.283 408 R C -2.374 173.858 176.300 -0.112 0.000 1.072 408 R CA -1.234 54.819 56.100 -0.078 0.000 1.048 408 R CB 0.398 30.657 30.300 -0.069 0.000 0.983 408 R HN -0.129 nan 8.270 nan 0.000 0.450 409 P HA -0.085 nan 4.420 nan 0.000 0.263 409 P C -0.166 177.074 177.300 -0.100 0.000 1.195 409 P CA 0.222 63.280 63.100 -0.071 0.000 0.762 409 P CB 0.219 31.886 31.700 -0.056 0.000 0.799 410 F N 4.436 124.244 119.950 -0.237 0.000 2.087 410 F HA -0.214 4.313 4.527 -0.001 0.000 0.299 410 F C 2.110 177.699 175.800 -0.352 0.000 1.100 410 F CA 2.619 60.434 58.000 -0.309 0.000 1.226 410 F CB -0.794 38.079 39.000 -0.213 0.000 0.983 410 F HN 0.388 nan 8.300 nan 0.000 0.479 411 G N -1.588 107.148 108.800 -0.107 0.000 2.848 411 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.208 411 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.208 411 G C 1.024 175.787 174.900 -0.228 0.000 1.152 411 G CA 0.767 45.742 45.100 -0.209 0.000 0.789 411 G HN 0.507 nan 8.290 nan 0.000 0.531 412 D N -0.214 120.058 120.400 -0.213 0.000 2.216 412 D HA 0.216 4.856 4.640 -0.001 0.000 0.208 412 D C 2.509 178.687 176.300 -0.204 0.000 0.960 412 D CA 0.955 54.858 54.000 -0.162 0.000 0.861 412 D CB 0.048 40.781 40.800 -0.111 0.000 0.985 412 D HN 0.140 nan 8.370 nan 0.000 0.493 413 A N -0.324 122.310 122.820 -0.311 0.000 1.911 413 A HA 0.196 4.515 4.320 -0.001 0.000 0.212 413 A C 1.209 178.522 177.584 -0.451 0.000 1.189 413 A CA 0.185 52.040 52.037 -0.303 0.000 0.639 413 A CB 0.024 18.797 19.000 -0.378 0.000 0.839 413 A HN 0.170 nan 8.150 nan 0.000 0.449 414 S N 1.896 117.106 115.700 -0.817 0.000 2.400 414 S HA 0.519 4.989 4.470 -0.001 0.000 0.295 414 S C 0.003 174.163 174.600 -0.734 0.000 1.113 414 S CA -0.515 56.925 58.200 -1.267 0.000 1.064 414 S CB 0.258 61.989 63.200 -2.447 0.000 0.990 414 S HN 0.397 nan 8.310 nan 0.000 0.502 418 L N 6.263 127.551 121.223 0.109 0.000 2.439 418 L HA 0.589 4.929 4.340 -0.001 0.000 0.270 418 L C 0.231 177.188 176.870 0.146 0.000 0.972 418 L CA -0.541 54.369 54.840 0.117 0.000 0.836 418 L CB 1.733 43.717 42.059 -0.124 0.000 1.255 418 L HN 0.725 nan 8.230 nan 0.000 0.404 419 N N 2.179 121.013 118.700 0.224 0.000 1.241 419 N HA -0.287 4.452 4.740 -0.001 0.000 0.135 419 N C 0.494 176.064 175.510 0.100 0.000 0.723 419 N CA 2.016 55.163 53.050 0.162 0.000 0.950 419 N CB -0.562 38.027 38.487 0.171 0.000 1.215 419 N HN 0.970 nan 8.380 nan 0.000 0.520 420 D N 1.198 121.643 120.400 0.075 0.000 2.342 420 D HA 0.130 4.770 4.640 -0.001 0.000 0.221 420 D C -0.020 176.306 176.300 0.043 0.000 1.101 420 D CA 0.143 54.175 54.000 0.052 0.000 0.837 420 D CB -0.128 40.696 40.800 0.040 0.000 0.938 420 D HN 0.200 nan 8.370 nan 0.000 0.508 421 V N 1.735 121.678 119.914 0.048 0.000 2.407 421 V HA 0.259 4.378 4.120 -0.001 0.000 0.278 421 V C 0.004 176.121 176.094 0.039 0.000 1.037 421 V CA -0.785 61.536 62.300 0.034 0.000 0.900 421 V CB 1.140 32.978 31.823 0.024 0.000 0.983 421 V HN 0.153 nan 8.190 nan 0.000 0.459 422 N N 4.459 123.176 118.700 0.029 0.000 2.540 422 N HA 0.512 5.252 4.740 -0.001 0.000 0.275 422 N C -1.057 174.461 175.510 0.014 0.000 1.053 422 N CA -0.189 52.877 53.050 0.028 0.000 0.876 422 N CB 2.057 40.557 38.487 0.022 0.000 1.284 422 N HN 0.544 nan 8.380 nan 0.000 0.518 423 V N 1.559 121.482 119.914 0.015 0.000 3.001 423 V HA 0.795 4.914 4.120 -0.001 0.000 0.314 423 V C -2.461 173.625 176.094 -0.013 0.000 1.099 423 V CA -2.120 60.180 62.300 0.001 0.000 0.989 423 V CB 1.826 33.650 31.823 0.002 0.000 1.040 423 V HN 0.425 nan 8.190 nan 0.000 0.434 424 P HA 0.302 nan 4.420 nan 0.000 0.271 424 P C 0.084 177.355 177.300 -0.049 0.000 1.216 424 P CA 0.565 63.634 63.100 -0.053 0.000 0.776 424 P CB 1.146 32.824 31.700 -0.035 0.000 0.881 425 G N 0.993 109.731 108.800 -0.105 0.000 2.462 425 G HA2 0.660 4.619 3.960 -0.001 0.000 0.319 425 G HA3 0.660 4.619 3.960 -0.001 0.000 0.319 425 G C -1.205 173.729 174.900 0.057 0.000 1.171 425 G CA -0.515 44.565 45.100 -0.033 0.000 0.920 425 G HN 0.734 nan 8.290 nan 0.000 0.499 426 A N -0.904 122.037 122.820 0.202 0.000 2.609 426 A HA 1.029 5.348 4.320 -0.001 0.000 0.291 426 A C 0.174 178.042 177.584 0.473 0.000 1.096 426 A CA 0.401 52.637 52.037 0.332 0.000 0.684 426 A CB 0.905 20.030 19.000 0.208 0.000 1.282 426 A HN 2.835 nan 8.150 nan 0.000 0.412 427 A N -1.489 121.580 122.820 0.414 0.000 3.112 427 A HA 0.458 4.778 4.320 -0.001 0.000 0.660 427 A C 1.010 178.924 177.584 0.550 0.000 0.470 427 A CA 1.205 53.553 52.037 0.518 0.000 0.194 427 A CB -1.795 17.605 19.000 0.666 0.000 3.812 427 A HN 3.094 nan 8.150 nan 0.000 0.537 428 G N -1.537 107.404 108.800 0.235 0.000 2.795 428 G HA2 0.590 4.549 3.960 -0.001 0.000 0.127 428 G HA3 0.590 4.549 3.960 -0.001 0.000 0.127 428 G C -0.576 174.201 174.900 -0.205 0.000 1.203 428 G CA 0.009 45.109 45.100 0.000 0.000 1.145 428 G HN 1.417 nan 8.290 nan 0.000 0.580 429 Y N 1.989 122.246 120.300 -0.070 0.000 2.632 429 Y HA 0.304 4.853 4.550 -0.001 0.000 0.329 429 Y C 1.858 177.781 175.900 0.039 0.000 1.174 429 Y CA 0.551 58.649 58.100 -0.003 0.000 1.469 429 Y CB 1.329 39.782 38.460 -0.012 0.000 1.242 429 Y HN 0.526 nan 8.280 nan 0.000 0.540 430 G N 2.553 111.480 108.800 0.213 0.000 2.422 430 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.218 430 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.218 430 G C 1.361 176.401 174.900 0.232 0.000 1.146 430 G CA 0.643 45.853 45.100 0.183 0.000 0.769 430 G HN 0.563 nan 8.290 nan 0.000 0.547 431 N N 0.244 119.103 118.700 0.266 0.000 2.573 431 N HA 0.042 4.782 4.740 -0.001 0.000 0.187 431 N C 1.800 177.470 175.510 0.267 0.000 1.107 431 N CA 0.307 53.520 53.050 0.272 0.000 0.918 431 N CB -0.009 38.674 38.487 0.327 0.000 0.966 431 N HN 0.312 nan 8.380 nan 0.000 0.448 432 L N -1.361 119.999 121.223 0.228 0.000 2.592 432 L HA 0.221 4.561 4.340 -0.001 0.000 0.227 432 L C 1.250 178.349 176.870 0.381 0.000 1.127 432 L CA 0.294 55.309 54.840 0.291 0.000 0.884 432 L CB 0.099 42.335 42.059 0.297 0.000 1.065 432 L HN 0.225 nan 8.230 nan 0.000 0.457 433 G N -0.826 108.172 108.800 0.330 0.000 2.211 433 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.201 433 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.201 433 G C 0.398 175.495 174.900 0.328 0.000 0.997 433 G CA 0.109 45.389 45.100 0.299 0.000 0.652 433 G HN 0.194 nan 8.290 nan 0.000 0.500 434 S N 0.162 116.097 115.700 0.392 0.000 2.498 434 S HA 0.456 4.926 4.470 -0.001 0.000 0.281 434 S C 1.112 175.879 174.600 0.279 0.000 1.265 434 S CA 0.186 58.618 58.200 0.387 0.000 1.071 434 S CB 0.209 63.625 63.200 0.361 0.000 0.894 434 S HN 0.594 nan 8.310 nan 0.000 0.491 435 F N 5.426 125.461 119.950 0.142 0.000 2.149 435 F HA 0.210 4.737 4.527 -0.001 0.000 0.294 435 F C 1.433 177.244 175.800 0.020 0.000 1.095 435 F CA 0.893 58.931 58.000 0.064 0.000 1.276 435 F CB 0.002 39.019 39.000 0.029 0.000 1.023 435 F HN 0.515 nan 8.300 nan 0.000 0.480 436 R N 1.407 121.952 120.500 0.075 0.000 2.347 436 R HA 0.390 4.730 4.340 -0.001 0.000 0.304 436 R C -1.510 174.681 176.300 -0.180 0.000 1.072 436 R CA -0.164 55.889 56.100 -0.079 0.000 0.980 436 R CB 0.607 30.985 30.300 0.129 0.000 0.986 436 R HN 0.022 nan 8.270 nan 0.000 0.448 437 V N 6.197 125.776 119.914 -0.559 0.000 2.513 437 V HA 0.475 4.595 4.120 -0.001 0.000 0.299 437 V C -0.783 174.670 176.094 -1.068 0.000 1.035 437 V CA -0.511 61.381 62.300 -0.680 0.000 0.889 437 V CB 1.525 32.857 31.823 -0.819 0.000 0.988 437 V HN 0.645 nan 8.190 nan 0.000 0.440 438 F N 1.330 120.955 119.950 -0.541 0.000 2.828 438 F HA 0.298 4.825 4.527 -0.001 0.000 0.355 438 F C 0.523 175.645 175.800 -1.131 0.000 1.200 438 F CA -0.469 56.968 58.000 -0.937 0.000 1.062 438 F CB 1.866 40.129 39.000 -1.228 0.000 1.351 438 F HN 0.337 nan 8.300 nan 0.000 0.504 439 T N 2.299 116.484 114.554 -0.615 0.000 3.185 439 T HA 0.039 4.388 4.350 -0.001 0.000 0.287 439 T C -0.205 174.256 174.700 -0.398 0.000 1.051 439 T CA -0.312 61.577 62.100 -0.352 0.000 1.051 439 T CB -0.524 68.364 68.868 0.033 0.000 1.034 439 T HN 0.298 nan 8.240 nan 0.000 0.685 440 W N 3.027 124.115 121.300 -0.354 0.000 2.223 440 W HA 0.247 4.906 4.660 -0.001 0.000 0.334 440 W C 1.313 177.865 176.519 0.055 0.000 1.334 440 W CA -0.718 56.520 57.345 -0.178 0.000 1.246 440 W CB 0.172 29.481 29.460 -0.251 0.000 1.184 440 W HN 0.548 nan 8.180 nan 0.000 0.563 441 S N 1.502 117.343 115.700 0.236 0.000 2.641 441 S HA 0.174 4.644 4.470 -0.001 0.000 0.261 441 S C -0.014 174.705 174.600 0.197 0.000 1.257 441 S CA -0.955 57.348 58.200 0.172 0.000 0.983 441 S CB 0.666 63.929 63.200 0.105 0.000 0.990 441 S HN 0.422 nan 8.310 nan 0.000 0.572 442 D N 2.617 123.091 120.400 0.123 0.000 2.362 442 D HA 0.340 4.980 4.640 -0.001 0.000 0.242 442 D C -1.921 174.415 176.300 0.060 0.000 1.132 442 D CA -0.885 53.165 54.000 0.082 0.000 0.907 442 D CB 0.369 41.186 40.800 0.028 0.000 1.195 442 D HN 0.438 nan 8.370 nan 0.000 0.429 443 P HA 0.085 nan 4.420 nan 0.000 0.276 443 P C -0.451 176.830 177.300 -0.032 0.000 1.244 443 P CA -0.442 62.652 63.100 -0.009 0.000 0.801 443 P CB 0.967 32.600 31.700 -0.112 0.000 1.006 444 D N 0.113 120.505 120.400 -0.013 0.000 2.507 444 D HA -0.003 4.637 4.640 -0.001 0.000 0.280 444 D C 1.295 177.576 176.300 -0.031 0.000 1.219 444 D CA -0.353 53.639 54.000 -0.014 0.000 1.085 444 D CB -0.150 40.653 40.800 0.004 0.000 1.134 444 D HN 0.407 nan 8.370 nan 0.000 0.583 445 E N -0.200 119.987 120.200 -0.022 0.000 2.267 445 E HA -0.231 4.119 4.350 -0.001 0.000 0.197 445 E C 0.313 176.899 176.600 -0.022 0.000 0.998 445 E CA 0.972 57.357 56.400 -0.025 0.000 0.830 445 E CB -0.516 29.174 29.700 -0.016 0.000 0.751 445 E HN 0.393 nan 8.360 nan 0.000 0.491 446 N N 0.451 119.143 118.700 -0.013 0.000 2.280 446 N HA 0.084 4.824 4.740 -0.001 0.000 0.192 446 N C 0.854 176.366 175.510 0.003 0.000 1.109 446 N CA 0.828 53.875 53.050 -0.006 0.000 0.855 446 N CB 1.047 39.533 38.487 -0.002 0.000 0.974 446 N HN 0.435 nan 8.380 nan 0.000 0.482 447 G N 0.478 109.275 108.800 -0.006 0.000 2.136 447 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.242 447 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.242 447 G C -0.104 174.852 174.900 0.094 0.000 0.989 447 G CA 0.111 45.231 45.100 0.033 0.000 0.682 447 G HN 0.173 nan 8.290 nan 0.000 0.522 448 V N 1.603 121.535 119.914 0.031 0.000 2.481 448 V HA 0.757 4.877 4.120 -0.001 0.000 0.286 448 V C 0.718 176.828 176.094 0.027 0.000 1.042 448 V CA -0.083 62.222 62.300 0.008 0.000 0.928 448 V CB 1.407 33.228 31.823 -0.004 0.000 0.986 448 V HN 0.710 nan 8.190 nan 0.000 0.462 449 R N 2.158 122.663 120.500 0.009 0.000 2.795 449 R HA 0.887 5.227 4.340 -0.001 0.000 0.275 449 R C -0.774 175.622 176.300 0.161 0.000 0.981 449 R CA -0.655 55.496 56.100 0.084 0.000 0.917 449 R CB 2.212 32.586 30.300 0.122 0.000 1.202 449 R HN 0.661 nan 8.270 nan 0.000 0.469 450 T N -1.821 112.873 114.554 0.233 0.000 2.887 450 T HA 0.564 4.914 4.350 -0.001 0.000 0.292 450 T C -2.886 171.831 174.700 0.029 0.000 1.087 450 T CA -2.546 59.703 62.100 0.248 0.000 1.009 450 T CB 2.055 71.004 68.868 0.135 0.000 1.203 450 T HN 0.371 nan 8.240 nan 0.000 0.518 451 P HA 0.227 nan 4.420 nan 0.000 0.271 451 P C 1.009 177.886 177.300 -0.706 0.000 1.220 451 P CA -0.495 62.044 63.100 -0.934 0.000 0.768 451 P CB 0.785 31.453 31.700 -1.721 0.000 0.848 452 V N 0.132 119.780 119.914 -0.443 0.000 3.565 452 V HA 0.260 4.380 4.120 -0.001 0.000 0.260 452 V C 0.461 176.489 176.094 -0.110 0.000 1.231 452 V CA 0.853 63.054 62.300 -0.165 0.000 1.100 452 V CB -0.728 31.084 31.823 -0.018 0.000 0.807 452 V HN 0.631 nan 8.190 nan 0.000 0.454 453 H N -0.817 117.973 119.070 -0.468 0.000 3.037 453 H HA 0.618 5.174 4.556 -0.001 0.000 0.336 453 H C -0.316 174.761 175.328 -0.418 0.000 1.323 453 H CA 0.346 56.245 56.048 -0.249 0.000 1.159 453 H CB 1.652 31.376 29.762 -0.062 0.000 1.882 453 H HN 0.583 nan 8.280 nan 0.000 0.535 454 G N 2.107 110.447 108.800 -0.767 0.000 2.288 454 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.227 454 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.227 454 G C -1.209 173.437 174.900 -0.424 0.000 1.339 454 G CA -0.542 44.093 45.100 -0.775 0.000 1.057 454 G HN 0.542 nan 8.290 nan 0.000 0.470 455 E N 1.367 121.200 120.200 -0.611 0.000 2.652 455 E HA 0.239 4.588 4.350 -0.001 0.000 0.255 455 E C 1.156 177.704 176.600 -0.088 0.000 0.952 455 E CA 1.247 57.453 56.400 -0.324 0.000 0.947 455 E CB 0.967 30.361 29.700 -0.509 0.000 0.912 455 E HN 0.841 nan 8.360 nan 0.000 0.489 456 T N -0.344 114.107 114.554 -0.171 0.000 3.216 456 T HA 0.071 4.420 4.350 -0.001 0.000 0.167 456 T C 0.295 174.828 174.700 -0.279 0.000 0.905 456 T CA -0.649 61.234 62.100 -0.362 0.000 1.042 456 T CB 0.023 68.835 68.868 -0.094 0.000 1.787 456 T HN 0.593 nan 8.240 nan 0.000 0.355 457 W N 4.521 125.560 121.300 -0.435 0.000 2.331 457 W HA 0.558 5.218 4.660 -0.001 0.000 0.306 457 W C -1.262 175.072 176.519 -0.308 0.000 1.162 457 W CA -0.940 56.168 57.345 -0.396 0.000 1.232 457 W CB 1.208 30.312 29.460 -0.593 0.000 1.235 457 W HN 0.501 nan 8.180 nan 0.000 0.479 458 V N 3.617 123.045 119.914 -0.811 0.000 2.525 458 V HA 0.921 5.040 4.120 -0.001 0.000 0.299 458 V C -0.649 174.914 176.094 -0.884 0.000 1.034 458 V CA -0.642 61.259 62.300 -0.665 0.000 0.863 458 V CB 0.463 32.175 31.823 -0.186 0.000 0.999 458 V HN 0.786 nan 8.190 nan 0.000 0.423 462 E N 5.084 124.986 120.200 -0.497 0.000 2.145 462 E HA 0.473 4.822 4.350 -0.001 0.000 0.270 462 E C -1.112 175.234 176.600 -0.424 0.000 0.906 462 E CA -0.598 55.591 56.400 -0.351 0.000 0.761 462 E CB 0.825 30.401 29.700 -0.206 0.000 1.116 462 E HN 0.471 nan 8.360 nan 0.000 0.408 463 F N 3.845 123.711 119.950 -0.141 0.000 2.705 463 F HA 0.086 4.612 4.527 -0.001 0.000 0.355 463 F C 0.876 176.635 175.800 -0.070 0.000 1.172 463 F CA -0.276 57.666 58.000 -0.098 0.000 1.332 463 F CB -0.168 38.771 39.000 -0.102 0.000 1.621 463 F HN 0.286 nan 8.300 nan 0.000 0.605 464 S N -1.271 114.428 115.700 -0.003 0.000 2.632 464 S HA 0.523 4.993 4.470 -0.001 0.000 0.267 464 S C 0.178 174.790 174.600 0.020 0.000 1.193 464 S CA -0.747 57.455 58.200 0.003 0.000 1.003 464 S CB 1.062 64.243 63.200 -0.032 0.000 1.073 464 S HN 0.147 nan 8.310 nan 0.000 0.553 465 T N 2.743 117.306 114.554 0.014 0.000 2.934 465 T HA 0.516 4.866 4.350 -0.001 0.000 0.328 465 T C -2.212 172.492 174.700 0.008 0.000 1.068 465 T CA -0.814 61.299 62.100 0.022 0.000 1.018 465 T CB 0.869 69.754 68.868 0.029 0.000 1.009 465 T HN 0.661 nan 8.240 nan 0.000 0.471 466 P HA 0.437 nan 4.420 nan 0.000 0.276 466 P C 0.121 177.405 177.300 -0.026 0.000 1.261 466 P CA -0.621 62.480 63.100 0.002 0.000 0.800 466 P CB 0.558 32.256 31.700 -0.002 0.000 1.066 467 V N -1.245 118.646 119.914 -0.037 0.000 3.096 467 V HA 0.347 4.466 4.120 -0.001 0.000 0.306 467 V C 0.368 176.365 176.094 -0.162 0.000 1.088 467 V CA -0.472 61.751 62.300 -0.129 0.000 1.129 467 V CB 0.067 31.779 31.823 -0.184 0.000 1.014 467 V HN 0.742 nan 8.190 nan 0.000 0.486 468 R N 2.265 122.626 120.500 -0.231 0.000 2.513 468 R HA 0.770 5.110 4.340 -0.001 0.000 0.301 468 R C -0.832 175.277 176.300 -0.318 0.000 0.968 468 R CA 0.072 56.037 56.100 -0.224 0.000 0.872 468 R CB 1.667 31.903 30.300 -0.107 0.000 1.177 468 R HN 1.301 nan 8.270 nan 0.000 0.444 469 A N 3.635 126.201 122.820 -0.424 0.000 2.549 469 A HA 0.675 4.994 4.320 -0.001 0.000 0.297 469 A C -2.007 175.244 177.584 -0.554 0.000 1.061 469 A CA -0.566 51.206 52.037 -0.443 0.000 0.690 469 A CB 1.213 19.853 19.000 -0.600 0.000 1.287 469 A HN 0.644 nan 8.150 nan 0.000 0.402 470 Y N -0.226 119.945 120.300 -0.215 0.000 2.545 470 Y HA 0.776 5.325 4.550 -0.001 0.000 0.348 470 Y C 0.742 176.554 175.900 -0.146 0.000 1.002 470 Y CA 0.096 58.121 58.100 -0.124 0.000 1.039 470 Y CB 2.877 41.265 38.460 -0.121 0.000 1.271 470 Y HN 1.232 nan 8.280 nan 0.000 0.467 471 G N 0.980 109.880 108.800 0.167 0.000 2.495 471 G HA2 0.703 4.663 3.960 -0.001 0.000 0.294 471 G HA3 0.703 4.663 3.960 -0.001 0.000 0.294 471 G C -2.203 172.787 174.900 0.150 0.000 1.397 471 G CA -0.749 44.368 45.100 0.029 0.000 0.790 471 G HN 0.571 nan 8.290 nan 0.000 0.486 475 Y N 2.632 122.585 120.300 -0.579 0.000 2.645 475 Y HA 0.646 5.195 4.550 -0.001 0.000 0.307 475 Y C 0.938 176.661 175.900 -0.295 0.000 1.151 475 Y CA -0.895 56.872 58.100 -0.554 0.000 1.291 475 Y CB -0.915 37.230 38.460 -0.524 0.000 1.135 475 Y HN 0.508 nan 8.280 nan 0.000 0.523 476 G N 1.479 110.279 108.800 0.000 0.000 2.796 476 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.226 476 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.226 476 G C 0.021 175.069 174.900 0.246 0.000 1.381 476 G CA 0.098 45.272 45.100 0.123 0.000 0.867 476 G HN 0.453 nan 8.290 nan 0.000 0.552 477 N N -0.477 118.362 118.700 0.232 0.000 2.230 477 N HA 0.401 5.141 4.740 -0.001 0.000 0.202 477 N C 0.175 175.894 175.510 0.348 0.000 1.119 477 N CA 1.113 54.321 53.050 0.263 0.000 0.851 477 N CB 0.435 38.983 38.487 0.103 0.000 0.990 477 N HN 0.831 nan 8.380 nan 0.000 0.497 478 S N -0.947 114.937 115.700 0.306 0.000 2.541 478 S HA 0.479 4.949 4.470 -0.001 0.000 0.271 478 S C -0.281 174.434 174.600 0.193 0.000 1.133 478 S CA -0.667 57.666 58.200 0.223 0.000 0.876 478 S CB 1.352 64.687 63.200 0.225 0.000 1.105 478 S HN 0.209 nan 8.310 nan 0.000 0.470 479 R N 1.359 121.881 120.500 0.037 0.000 2.549 479 R HA 0.253 4.592 4.340 -0.001 0.000 0.361 479 R C -0.334 175.873 176.300 -0.156 0.000 0.969 479 R CA -0.261 55.770 56.100 -0.114 0.000 1.158 479 R CB 0.260 30.475 30.300 -0.142 0.000 1.456 479 R HN 0.579 nan 8.270 nan 0.000 0.540 480 Q N 1.601 121.352 119.800 -0.081 0.000 2.364 480 Q HA 0.132 4.471 4.340 -0.001 0.000 0.267 480 Q C -2.305 173.641 176.000 -0.089 0.000 0.999 480 Q CA -1.609 54.146 55.803 -0.079 0.000 0.886 480 Q CB 0.715 29.427 28.738 -0.044 0.000 1.243 480 Q HN 0.063 nan 8.270 nan 0.000 0.415 481 P HA -0.059 nan 4.420 nan 0.000 0.260 481 P C 0.551 177.817 177.300 -0.057 0.000 1.172 481 P CA 1.224 64.274 63.100 -0.082 0.000 0.760 481 P CB 0.224 31.885 31.700 -0.065 0.000 0.773 482 G N 1.702 110.469 108.800 -0.056 0.000 2.179 482 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.260 482 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.260 482 G C 0.583 175.466 174.900 -0.028 0.000 0.977 482 G CA 0.309 45.388 45.100 -0.034 0.000 0.641 482 G HN 0.770 nan 8.290 nan 0.000 0.533 483 T N 0.697 115.237 114.554 -0.024 0.000 2.932 483 T HA 0.418 4.767 4.350 -0.001 0.000 0.312 483 T C 1.954 176.633 174.700 -0.035 0.000 1.071 483 T CA 1.594 63.687 62.100 -0.012 0.000 1.128 483 T CB 0.617 69.513 68.868 0.047 0.000 0.984 483 T HN 0.957 nan 8.240 nan 0.000 0.549 484 T N 0.862 115.312 114.554 -0.174 0.000 3.086 484 T HA 0.169 4.518 4.350 -0.001 0.000 0.250 484 T C 0.665 175.198 174.700 -0.279 0.000 1.074 484 T CA 0.288 62.245 62.100 -0.239 0.000 0.988 484 T CB -0.387 68.279 68.868 -0.338 0.000 0.988 484 T HN 0.808 nan 8.240 nan 0.000 0.530 485 H N -0.429 118.711 119.070 0.116 0.000 2.490 485 H HA 0.364 4.920 4.556 -0.001 0.000 0.285 485 H C 0.250 175.689 175.328 0.186 0.000 1.127 485 H CA -0.594 55.529 56.048 0.126 0.000 0.993 485 H CB 0.222 30.053 29.762 0.115 0.000 1.653 485 H HN 0.327 nan 8.280 nan 0.000 0.557 486 Y N 0.629 120.998 120.300 0.115 0.000 2.594 486 Y HA 0.045 4.595 4.550 -0.001 0.000 0.283 486 Y C 1.907 177.858 175.900 0.085 0.000 1.140 486 Y CA 0.883 59.042 58.100 0.097 0.000 1.261 486 Y CB 0.500 38.994 38.460 0.057 0.000 1.358 486 Y HN 0.172 nan 8.280 nan 0.000 0.513 487 S N -0.441 115.264 115.700 0.008 0.000 2.557 487 S HA 0.049 4.519 4.470 -0.001 0.000 0.223 487 S C 0.741 175.328 174.600 -0.021 0.000 0.969 487 S CA 0.176 58.325 58.200 -0.086 0.000 0.927 487 S CB -0.396 62.814 63.200 0.017 0.000 0.806 487 S HN 0.584 nan 8.310 nan 0.000 0.489 488 D N 1.144 121.561 120.400 0.029 0.000 2.336 488 D HA -0.008 4.631 4.640 -0.001 0.000 0.229 488 D C 1.172 177.488 176.300 0.027 0.000 1.061 488 D CA 0.260 54.290 54.000 0.050 0.000 0.875 488 D CB -0.130 40.741 40.800 0.118 0.000 0.904 488 D HN 0.553 nan 8.370 nan 0.000 0.525 489 Q N -0.908 118.881 119.800 -0.018 0.000 2.210 489 Q HA 0.196 4.536 4.340 -0.001 0.000 0.252 489 Q C 1.544 177.498 176.000 -0.077 0.000 0.811 489 Q CA -0.348 55.430 55.803 -0.042 0.000 0.953 489 Q CB 0.487 29.196 28.738 -0.047 0.000 1.136 489 Q HN 0.085 nan 8.270 nan 0.000 0.491 490 I N 2.109 122.628 120.570 -0.084 0.000 2.361 490 I HA -0.245 3.925 4.170 -0.001 0.000 0.251 490 I C 2.292 178.385 176.117 -0.040 0.000 1.133 490 I CA 1.451 62.710 61.300 -0.068 0.000 1.413 490 I CB 0.047 38.015 38.000 -0.053 0.000 1.073 490 I HN 0.167 nan 8.210 nan 0.000 0.424 491 E N 0.794 120.974 120.200 -0.033 0.000 2.072 491 E HA -0.214 4.136 4.350 -0.001 0.000 0.191 491 E C 2.341 178.916 176.600 -0.042 0.000 0.985 491 E CA 1.163 57.549 56.400 -0.024 0.000 0.801 491 E CB -0.060 29.633 29.700 -0.012 0.000 0.750 491 E HN 0.497 nan 8.360 nan 0.000 0.452 492 R N -0.064 120.400 120.500 -0.060 0.000 2.115 492 R HA -0.052 4.288 4.340 -0.001 0.000 0.230 492 R C 2.528 178.735 176.300 -0.156 0.000 1.111 492 R CA 1.064 57.107 56.100 -0.095 0.000 0.976 492 R CB -0.193 30.048 30.300 -0.099 0.000 0.870 492 R HN 0.054 nan 8.270 nan 0.000 0.445 493 V N 1.241 121.065 119.914 -0.149 0.000 2.343 493 V HA -0.253 3.866 4.120 -0.001 0.000 0.247 493 V C 2.392 178.442 176.094 -0.073 0.000 1.051 493 V CA 2.194 64.404 62.300 -0.151 0.000 1.036 493 V CB -0.482 31.303 31.823 -0.062 0.000 0.654 493 V HN 0.465 nan 8.190 nan 0.000 0.451 494 S N 0.168 115.839 115.700 -0.048 0.000 2.507 494 S HA -0.124 4.345 4.470 -0.001 0.000 0.235 494 S C 1.725 176.319 174.600 -0.010 0.000 0.988 494 S CA 1.011 59.196 58.200 -0.026 0.000 0.944 494 S CB -0.302 62.886 63.200 -0.020 0.000 0.762 494 S HN 0.665 nan 8.310 nan 0.000 0.526 495 R N 0.265 120.746 120.500 -0.031 0.000 2.508 495 R HA 0.513 4.853 4.340 -0.001 0.000 0.300 495 R C 0.749 177.036 176.300 -0.022 0.000 0.970 495 R CA 0.345 56.437 56.100 -0.013 0.000 1.102 495 R CB 0.318 30.609 30.300 -0.015 0.000 1.246 495 R HN 0.403 nan 8.270 nan 0.000 0.539 496 A N 2.100 124.874 122.820 -0.078 0.000 2.783 496 A HA -0.206 4.113 4.320 -0.001 0.000 0.292 496 A C -0.162 177.338 177.584 -0.139 0.000 1.495 496 A CA 1.203 53.165 52.037 -0.125 0.000 0.787 496 A CB -1.604 17.466 19.000 0.117 0.000 1.017 496 A HN 0.394 nan 8.150 nan 0.000 0.516 497 D N -0.101 120.174 120.400 -0.208 0.000 2.494 497 D HA 0.520 5.159 4.640 -0.001 0.000 0.217 497 D C -0.090 176.122 176.300 -0.147 0.000 1.153 497 D CA -0.215 53.732 54.000 -0.087 0.000 0.954 497 D CB -0.439 40.332 40.800 -0.048 0.000 1.034 497 D HN 0.247 nan 8.370 nan 0.000 0.518 498 F N 1.860 121.812 119.950 0.003 0.000 2.418 498 F HA 0.303 4.830 4.527 -0.001 0.000 0.341 498 F C 1.710 177.587 175.800 0.128 0.000 1.120 498 F CA -0.252 57.772 58.000 0.040 0.000 1.232 498 F CB 0.722 39.737 39.000 0.026 0.000 1.175 498 F HN -0.053 nan 8.300 nan 0.000 0.569 499 R N 1.322 121.992 120.500 0.283 0.000 2.410 499 R HA 0.169 4.509 4.340 -0.001 0.000 0.288 499 R C -0.227 176.188 176.300 0.192 0.000 1.051 499 R CA -0.720 55.503 56.100 0.204 0.000 1.021 499 R CB 0.806 31.184 30.300 0.129 0.000 1.032 499 R HN 0.631 nan 8.270 nan 0.000 0.481 500 E N 3.499 123.728 120.200 0.047 0.000 2.290 500 E HA 0.065 4.415 4.350 -0.001 0.000 0.277 500 E C -0.641 175.815 176.600 -0.240 0.000 1.035 500 E CA -0.335 55.847 56.400 -0.363 0.000 0.873 500 E CB 0.632 30.137 29.700 -0.324 0.000 1.029 500 E HN 0.351 nan 8.360 nan 0.000 0.419 501 L N 5.998 127.030 121.223 -0.318 0.000 2.360 501 L HA 0.198 4.537 4.340 -0.001 0.000 0.276 501 L C -0.162 176.505 176.870 -0.337 0.000 1.121 501 L CA -0.349 54.323 54.840 -0.279 0.000 0.845 501 L CB 0.333 42.205 42.059 -0.311 0.000 1.143 501 L HN 0.453 nan 8.230 nan 0.000 0.452 502 L N 5.233 126.308 121.223 -0.247 0.000 2.264 502 L HA 0.206 4.545 4.340 -0.001 0.000 0.287 502 L C 0.397 177.164 176.870 -0.173 0.000 1.039 502 L CA -0.383 54.364 54.840 -0.156 0.000 0.829 502 L CB 1.165 43.207 42.059 -0.029 0.000 1.211 502 L HN 0.603 nan 8.230 nan 0.000 0.427 503 L N 2.208 123.318 121.223 -0.189 0.000 2.470 503 L HA 0.245 4.585 4.340 -0.001 0.000 0.219 503 L C 1.118 178.054 176.870 0.110 0.000 1.071 503 L CA 0.510 55.269 54.840 -0.135 0.000 0.850 503 L CB -0.104 41.851 42.059 -0.173 0.000 1.040 503 L HN 0.453 nan 8.230 nan 0.000 0.475 504 R N 0.113 120.640 120.500 0.046 0.000 2.389 504 R HA 0.112 4.452 4.340 -0.001 0.000 0.295 504 R C 1.019 177.362 176.300 0.072 0.000 1.075 504 R CA -0.392 55.744 56.100 0.060 0.000 1.005 504 R CB 0.971 31.285 30.300 0.023 0.000 0.987 504 R HN -0.096 nan 8.270 nan 0.000 0.452 505 R N 3.198 123.739 120.500 0.068 0.000 2.134 505 R HA -0.268 4.071 4.340 -0.001 0.000 0.248 505 R C 1.651 177.974 176.300 0.039 0.000 1.143 505 R CA 2.586 58.716 56.100 0.051 0.000 0.957 505 R CB -0.222 30.094 30.300 0.028 0.000 0.867 505 R HN 0.848 nan 8.270 nan 0.000 0.441 506 E N -0.214 120.004 120.200 0.029 0.000 2.085 506 E HA -0.293 4.056 4.350 -0.001 0.000 0.194 506 E C 1.968 178.582 176.600 0.023 0.000 0.994 506 E CA 1.510 57.923 56.400 0.021 0.000 0.801 506 E CB -0.423 29.286 29.700 0.016 0.000 0.743 506 E HN 0.559 nan 8.360 nan 0.000 0.453 507 Q N 0.790 120.604 119.800 0.023 0.000 2.046 507 Q HA -0.097 4.243 4.340 -0.001 0.000 0.200 507 Q C 2.550 178.570 176.000 0.033 0.000 0.975 507 Q CA 1.661 57.474 55.803 0.018 0.000 0.836 507 Q CB -0.047 28.692 28.738 0.001 0.000 0.896 507 Q HN 0.198 nan 8.270 nan 0.000 0.428 508 V N 1.642 121.588 119.914 0.055 0.000 2.295 508 V HA -0.271 3.849 4.120 -0.001 0.000 0.246 508 V C 1.928 178.052 176.094 0.050 0.000 1.049 508 V CA 2.049 64.391 62.300 0.071 0.000 1.024 508 V CB -0.581 31.305 31.823 0.105 0.000 0.648 508 V HN 0.373 nan 8.190 nan 0.000 0.447 509 E N 0.372 120.596 120.200 0.039 0.000 2.153 509 E HA -0.183 4.166 4.350 -0.001 0.000 0.194 509 E C 2.213 178.830 176.600 0.028 0.000 0.988 509 E CA 1.249 57.666 56.400 0.029 0.000 0.811 509 E CB -0.298 29.416 29.700 0.022 0.000 0.746 509 E HN 0.625 nan 8.360 nan 0.000 0.466 510 A N 0.899 123.736 122.820 0.027 0.000 2.067 510 A HA 0.130 4.449 4.320 -0.001 0.000 0.217 510 A C 2.144 179.745 177.584 0.029 0.000 1.156 510 A CA 1.224 53.276 52.037 0.025 0.000 0.683 510 A CB 0.004 19.017 19.000 0.021 0.000 0.808 510 A HN 0.247 nan 8.150 nan 0.000 0.455 511 A N -1.062 121.778 122.820 0.033 0.000 2.343 511 A HA 0.461 4.781 4.320 -0.001 0.000 0.223 511 A C 0.857 178.465 177.584 0.040 0.000 1.214 511 A CA 0.272 52.331 52.037 0.037 0.000 0.900 511 A CB -0.374 18.649 19.000 0.039 0.000 0.942 511 A HN 0.556 nan 8.150 nan 0.000 0.507 512 V N 0.618 120.556 119.914 0.040 0.000 2.673 512 V HA 0.009 4.128 4.120 -0.001 0.000 0.303 512 V C 0.689 176.807 176.094 0.040 0.000 1.046 512 V CA 0.987 63.311 62.300 0.040 0.000 1.126 512 V CB 0.924 32.770 31.823 0.038 0.000 0.934 512 V HN 0.678 nan 8.190 nan 0.000 0.487 513 Q N 3.735 123.562 119.800 0.044 0.000 2.211 513 Q HA 0.356 4.695 4.340 -0.001 0.000 0.242 513 Q C -0.400 175.631 176.000 0.053 0.000 0.825 513 Q CA 0.086 55.919 55.803 0.050 0.000 0.951 513 Q CB 1.062 29.837 28.738 0.061 0.000 1.130 513 Q HN 0.863 nan 8.270 nan 0.000 0.496 514 E N 0.511 120.742 120.200 0.051 0.000 2.321 514 E HA 0.435 4.784 4.350 -0.001 0.000 0.278 514 E C -1.234 175.397 176.600 0.051 0.000 0.902 514 E CA -0.481 55.952 56.400 0.054 0.000 0.758 514 E CB 2.178 31.918 29.700 0.065 0.000 1.213 514 E HN -0.038 nan 8.360 nan 0.000 0.426 515 R N 0.916 121.447 120.500 0.051 0.000 2.534 515 R HA 0.506 4.845 4.340 -0.001 0.000 0.301 515 R C -0.959 175.382 176.300 0.068 0.000 0.961 515 R CA -0.664 55.468 56.100 0.054 0.000 0.871 515 R CB 2.046 32.370 30.300 0.041 0.000 1.170 515 R HN 0.277 nan 8.270 nan 0.000 0.446 516 T N 4.586 119.197 114.554 0.095 0.000 3.060 516 T HA 0.278 4.628 4.350 -0.001 0.000 0.367 516 T C -2.007 172.810 174.700 0.195 0.000 1.229 516 T CA -1.260 60.917 62.100 0.130 0.000 1.104 516 T CB 0.836 69.783 68.868 0.131 0.000 1.083 516 T HN 0.425 nan 8.240 nan 0.000 0.524 517 P HA 0.616 nan 4.420 nan 0.000 0.274 517 P C -0.844 176.576 177.300 0.200 0.000 1.231 517 P CA -0.446 62.702 63.100 0.078 0.000 0.790 517 P CB 0.749 32.461 31.700 0.020 0.000 0.951 518 F N -1.253 118.710 119.950 0.021 0.000 2.877 518 F HA 0.622 5.148 4.527 -0.001 0.000 0.319 518 F C -1.747 174.082 175.800 0.048 0.000 1.174 518 F CA -1.065 56.955 58.000 0.035 0.000 0.903 518 F CB 1.308 40.329 39.000 0.036 0.000 1.357 518 F HN 0.422 nan 8.300 nan 0.000 0.472 519 N N 0.470 119.377 118.700 0.345 0.000 2.484 519 N HA 0.598 5.337 4.740 -0.001 0.000 0.269 519 N C -2.291 173.461 175.510 0.404 0.000 1.237 519 N CA -0.348 52.835 53.050 0.221 0.000 0.838 519 N CB 3.064 41.602 38.487 0.084 0.000 1.593 519 N HN 0.957 nan 8.380 nan 0.000 0.485 520 F N -0.012 120.033 119.950 0.158 0.000 2.654 520 F HA 0.715 5.241 4.527 -0.001 0.000 0.308 520 F C -1.726 174.118 175.800 0.073 0.000 1.108 520 F CA -0.409 57.668 58.000 0.129 0.000 0.957 520 F CB 1.623 40.726 39.000 0.172 0.000 1.309 520 F HN 0.479 nan 8.300 nan 0.000 0.446 521 K N 0.000 119.662 120.400 -1.230 0.000 2.780 521 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 521 K CA 0.000 55.726 56.287 -0.934 0.000 0.838 521 K CB 0.000 32.283 32.500 -0.362 0.000 1.064 521 K HN 0.000 nan 8.250 nan 0.000 0.543