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 2r5h_1_L DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.665 177.584 0.136 0.000 1.274 20 A CA 0.000 52.071 52.037 0.056 0.000 0.836 20 A CB 0.000 19.025 19.000 0.042 0.000 0.831 21 V N 2.094 122.016 119.914 0.012 0.000 2.630 21 V HA 0.820 4.940 4.120 -0.000 0.000 0.305 21 V C 0.278 176.383 176.094 0.017 0.000 1.046 21 V CA -0.201 62.136 62.300 0.062 0.000 0.934 21 V CB 1.579 33.158 31.823 -0.406 0.000 1.003 21 V HN 1.654 nan 8.190 nan 0.000 0.451 22 V N 0.400 120.465 119.914 0.252 0.000 3.049 22 V HA 0.744 4.864 4.120 -0.000 0.000 0.309 22 V C 0.010 176.436 176.094 0.553 0.000 1.148 22 V CA -0.698 61.800 62.300 0.330 0.000 0.990 22 V CB 1.720 33.651 31.823 0.180 0.000 1.039 22 V HN 0.963 nan 8.190 nan 0.000 0.430 23 S N 1.754 117.769 115.700 0.525 0.000 2.554 23 S HA 0.034 4.504 4.470 -0.000 0.000 0.290 23 S C 1.422 176.164 174.600 0.237 0.000 1.309 23 S CA 0.710 59.125 58.200 0.359 0.000 1.047 23 S CB 0.740 64.038 63.200 0.163 0.000 0.828 23 S HN 1.941 nan 8.310 nan 0.000 0.509 24 T N 0.650 115.280 114.554 0.127 0.000 3.072 24 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 24 T C 1.120 175.640 174.700 -0.299 0.000 1.127 24 T CA 0.895 62.810 62.100 -0.307 0.000 1.107 24 T CB -0.383 68.379 68.868 -0.176 0.000 0.910 24 T HN 0.641 nan 8.240 nan 0.000 0.513 25 D N 1.724 122.076 120.400 -0.079 0.000 2.190 25 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 25 D C 2.039 178.315 176.300 -0.041 0.000 0.992 25 D CA 1.031 55.000 54.000 -0.052 0.000 0.854 25 D CB -0.079 40.718 40.800 -0.006 0.000 0.936 25 D HN 0.638 nan 8.370 nan 0.000 0.462 26 E N -0.559 119.639 120.200 -0.002 0.000 1.998 26 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 26 E C 1.980 178.631 176.600 0.085 0.000 1.003 26 E CA 1.056 57.495 56.400 0.065 0.000 0.829 26 E CB -0.279 29.503 29.700 0.137 0.000 0.777 26 E HN 0.515 nan 8.360 nan 0.000 0.460 27 Y N -0.771 119.586 120.300 0.096 0.000 2.529 27 Y HA 0.281 4.831 4.550 -0.000 0.000 0.290 27 Y C 0.163 176.157 175.900 0.157 0.000 1.177 27 Y CA -0.382 57.788 58.100 0.116 0.000 1.305 27 Y CB 0.030 38.568 38.460 0.129 0.000 1.047 27 Y HN -0.265 nan 8.280 nan 0.000 0.522 28 V N 1.637 121.502 119.914 -0.081 0.000 2.459 28 V HA 0.764 4.884 4.120 -0.000 0.000 0.295 28 V C 0.019 176.099 176.094 -0.023 0.000 1.029 28 V CA -1.135 61.152 62.300 -0.022 0.000 0.874 28 V CB 1.155 32.903 31.823 -0.126 0.000 0.985 28 V HN 0.366 nan 8.190 nan 0.000 0.438 29 A N 5.188 128.008 122.820 -0.001 0.000 2.305 29 A HA 0.736 5.056 4.320 -0.000 0.000 0.322 29 A C 0.009 177.567 177.584 -0.043 0.000 1.187 29 A CA -0.712 51.318 52.037 -0.012 0.000 0.825 29 A CB 0.640 19.644 19.000 0.007 0.000 1.164 29 A HN 0.824 nan 8.150 nan 0.000 0.498 30 R N 1.736 122.210 120.500 -0.043 0.000 2.198 30 R HA 0.367 4.707 4.340 -0.000 0.000 0.339 30 R C 0.350 176.593 176.300 -0.094 0.000 1.020 30 R CA -0.120 55.939 56.100 -0.068 0.000 0.864 30 R CB 1.111 31.389 30.300 -0.038 0.000 1.105 30 R HN 0.885 nan 8.270 nan 0.000 0.463 31 T N -0.988 113.471 114.554 -0.159 0.000 2.824 31 T HA 0.101 4.451 4.350 -0.000 0.000 0.277 31 T C 0.570 175.119 174.700 -0.253 0.000 0.975 31 T CA -0.688 61.294 62.100 -0.196 0.000 0.966 31 T CB 0.926 69.606 68.868 -0.312 0.000 1.054 31 T HN 0.516 nan 8.240 nan 0.000 0.533 32 N N 0.920 119.486 118.700 -0.224 0.000 3.131 32 N HA 0.239 4.979 4.740 -0.000 0.000 0.312 32 N C -1.071 174.264 175.510 -0.292 0.000 1.433 32 N CA -0.353 52.558 53.050 -0.232 0.000 1.141 32 N CB -0.035 38.412 38.487 -0.066 0.000 1.431 32 N HN 0.400 nan 8.380 nan 0.000 0.523 33 I N 1.569 121.883 120.570 -0.427 0.000 2.465 33 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 33 I C -0.670 175.376 176.117 -0.118 0.000 1.014 33 I CA -0.867 60.329 61.300 -0.173 0.000 1.093 33 I CB 1.011 38.916 38.000 -0.159 0.000 1.267 33 I HN 0.118 nan 8.210 nan 0.000 0.431 34 Y N 5.444 125.935 120.300 0.318 0.000 2.373 34 Y HA 0.485 5.035 4.550 -0.000 0.000 0.336 34 Y C -0.956 175.180 175.900 0.393 0.000 0.979 34 Y CA -0.732 57.603 58.100 0.392 0.000 1.080 34 Y CB 2.220 40.867 38.460 0.311 0.000 1.190 34 Y HN 0.362 nan 8.280 nan 0.000 0.446 35 Y N 2.273 122.914 120.300 0.567 0.000 2.446 35 Y HA 0.324 4.874 4.550 -0.000 0.000 0.345 35 Y C -0.114 175.873 175.900 0.146 0.000 0.984 35 Y CA -0.952 57.371 58.100 0.372 0.000 1.058 35 Y CB 1.325 40.027 38.460 0.403 0.000 1.220 35 Y HN 0.549 nan 8.280 nan 0.000 0.455 36 H N 1.842 120.943 119.070 0.051 0.000 2.525 36 H HA 0.883 5.439 4.556 -0.000 0.000 0.340 36 H C -1.538 173.569 175.328 -0.368 0.000 1.168 36 H CA -0.549 55.388 56.048 -0.185 0.000 1.247 36 H CB 1.725 31.337 29.762 -0.250 0.000 1.568 36 H HN 0.806 nan 8.280 nan 0.000 0.536 37 A N 1.858 124.180 122.820 -0.831 0.000 2.565 37 A HA 0.560 4.880 4.320 -0.000 0.000 0.298 37 A C -1.151 176.149 177.584 -0.473 0.000 1.062 37 A CA 0.008 51.755 52.037 -0.482 0.000 0.723 37 A CB 1.176 19.834 19.000 -0.571 0.000 1.282 37 A HN 0.953 nan 8.150 nan 0.000 0.400 38 G N 0.768 109.475 108.800 -0.156 0.000 2.761 38 G HA2 0.645 4.605 3.960 -0.000 0.000 0.296 38 G HA3 0.645 4.605 3.960 -0.000 0.000 0.296 38 G C -0.253 174.656 174.900 0.015 0.000 1.416 38 G CA 0.265 45.351 45.100 -0.024 0.000 1.105 38 G HN 1.794 nan 8.290 nan 0.000 0.565 39 T N 0.308 114.865 114.554 0.005 0.000 2.666 39 T HA 0.187 4.537 4.350 -0.000 0.000 0.265 39 T C 1.987 176.694 174.700 0.012 0.000 1.009 39 T CA 0.655 62.754 62.100 -0.002 0.000 1.238 39 T CB 0.585 69.417 68.868 -0.060 0.000 0.969 39 T HN 1.495 nan 8.240 nan 0.000 0.515 40 S N 3.138 118.867 115.700 0.049 0.000 2.399 40 S HA -0.272 4.198 4.470 -0.000 0.000 0.235 40 S C 0.945 175.569 174.600 0.040 0.000 1.063 40 S CA 1.283 59.518 58.200 0.059 0.000 1.070 40 S CB -0.531 62.713 63.200 0.072 0.000 0.904 40 S HN 1.084 nan 8.310 nan 0.000 0.456 41 R N -0.612 119.912 120.500 0.040 0.000 4.828 41 R HA 0.301 4.641 4.340 -0.000 0.000 0.253 41 R C -2.086 174.257 176.300 0.072 0.000 1.005 41 R CA -0.399 55.726 56.100 0.041 0.000 1.405 41 R CB 0.166 30.495 30.300 0.047 0.000 1.224 41 R HN 0.350 nan 8.270 nan 0.000 0.617 42 L N 3.861 125.128 121.223 0.073 0.000 2.344 42 L HA 0.635 4.975 4.340 -0.000 0.000 0.272 42 L C -0.814 176.198 176.870 0.237 0.000 1.035 42 L CA -1.165 53.760 54.840 0.142 0.000 0.807 42 L CB 1.605 43.627 42.059 -0.061 0.000 1.237 42 L HN 0.494 nan 8.230 nan 0.000 0.442 43 L N 2.047 123.487 121.223 0.362 0.000 2.493 43 L HA 0.665 5.005 4.340 -0.000 0.000 0.265 43 L C -0.770 176.308 176.870 0.346 0.000 0.954 43 L CA -0.180 54.834 54.840 0.291 0.000 0.844 43 L CB 1.857 44.019 42.059 0.172 0.000 1.302 43 L HN 0.614 nan 8.230 nan 0.000 0.405 44 A N 3.877 126.860 122.820 0.272 0.000 2.343 44 A HA 0.912 5.232 4.320 -0.000 0.000 0.316 44 A C -1.493 176.118 177.584 0.045 0.000 1.104 44 A CA -0.540 51.595 52.037 0.164 0.000 0.768 44 A CB 1.666 20.796 19.000 0.217 0.000 1.213 44 A HN 0.439 nan 8.150 nan 0.000 0.456 45 V N 1.713 121.638 119.914 0.019 0.000 2.733 45 V HA 0.854 4.974 4.120 -0.000 0.000 0.306 45 V C 0.491 176.589 176.094 0.007 0.000 1.084 45 V CA 0.505 62.803 62.300 -0.003 0.000 0.905 45 V CB 1.922 33.753 31.823 0.013 0.000 1.010 45 V HN 1.573 nan 8.190 nan 0.000 0.424 46 G N 2.287 111.094 108.800 0.012 0.000 2.664 46 G HA2 0.372 4.332 3.960 -0.000 0.000 0.303 46 G HA3 0.372 4.332 3.960 -0.000 0.000 0.303 46 G C -1.587 173.358 174.900 0.076 0.000 1.243 46 G CA -0.512 44.617 45.100 0.049 0.000 0.826 46 G HN 0.634 nan 8.290 nan 0.000 0.498 47 H N 1.490 120.560 119.070 -0.001 0.000 2.481 47 H HA 0.378 4.934 4.556 -0.000 0.000 0.339 47 H C -1.396 173.890 175.328 -0.070 0.000 1.131 47 H CA -1.592 54.432 56.048 -0.040 0.000 1.301 47 H CB 2.696 32.385 29.762 -0.122 0.000 1.476 47 H HN 0.131 nan 8.280 nan 0.000 0.529 48 P HA -0.106 nan 4.420 nan 0.000 0.221 48 P C 0.272 177.323 177.300 -0.416 0.000 1.150 48 P CA 1.318 64.236 63.100 -0.304 0.000 0.800 48 P CB 0.331 31.671 31.700 -0.600 0.000 0.787 49 Y N -0.450 119.917 120.300 0.111 0.000 2.609 49 Y HA 0.265 4.815 4.550 -0.000 0.000 0.281 49 Y C 1.305 177.230 175.900 0.041 0.000 1.132 49 Y CA -0.266 57.866 58.100 0.054 0.000 1.264 49 Y CB -0.107 38.364 38.460 0.019 0.000 1.325 49 Y HN -0.150 nan 8.280 nan 0.000 0.514 50 F N -1.918 118.185 119.950 0.255 0.000 2.686 50 F HA 0.745 5.272 4.527 -0.000 0.000 0.311 50 F C -3.395 172.401 175.800 -0.006 0.000 1.128 50 F CA -3.389 54.653 58.000 0.071 0.000 0.946 50 F CB 0.595 39.595 39.000 0.001 0.000 1.336 50 F HN -0.376 nan 8.300 nan 0.000 0.457 51 P HA 0.322 nan 4.420 nan 0.000 0.276 51 P C -0.943 176.481 177.300 0.206 0.000 1.244 51 P CA -0.028 63.181 63.100 0.182 0.000 0.801 51 P CB 1.918 33.693 31.700 0.124 0.000 1.006 52 I N 2.376 123.027 120.570 0.135 0.000 2.405 52 I HA 0.266 4.436 4.170 -0.000 0.000 0.280 52 I C 0.863 177.029 176.117 0.082 0.000 1.027 52 I CA -0.391 60.987 61.300 0.129 0.000 1.161 52 I CB 0.490 38.571 38.000 0.134 0.000 1.300 52 I HN 0.365 nan 8.210 nan 0.000 0.463 53 K N 3.906 124.342 120.400 0.060 0.000 2.316 53 K HA 0.711 5.031 4.320 -0.000 0.000 0.234 53 K C -0.280 176.335 176.600 0.025 0.000 1.054 53 K CA -1.242 55.066 56.287 0.034 0.000 0.879 53 K CB 1.334 33.846 32.500 0.021 0.000 1.252 53 K HN 0.017 nan 8.250 nan 0.000 0.471 54 K N 1.130 121.540 120.400 0.016 0.000 2.440 54 K HA 0.038 4.358 4.320 -0.000 0.000 0.270 54 K C -1.668 174.933 176.600 0.002 0.000 0.980 54 K CA -1.068 55.225 56.287 0.011 0.000 0.953 54 K CB 0.440 32.944 32.500 0.007 0.000 0.925 54 K HN 0.385 nan 8.250 nan 0.000 0.497 55 P HA -0.157 nan 4.420 nan 0.000 0.215 55 P C -0.222 177.070 177.300 -0.014 0.000 1.157 55 P CA 1.767 64.861 63.100 -0.010 0.000 0.863 55 P CB -0.003 31.692 31.700 -0.008 0.000 0.787 56 N N -0.071 118.624 118.700 -0.009 0.000 2.322 56 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 56 N C 0.921 176.426 175.510 -0.009 0.000 1.037 56 N CA -0.035 53.009 53.050 -0.010 0.000 0.869 56 N CB -1.581 36.902 38.487 -0.008 0.000 1.036 56 N HN 0.094 nan 8.380 nan 0.000 0.439 57 N N 0.841 119.538 118.700 -0.006 0.000 2.381 57 N HA -0.057 4.682 4.740 -0.000 0.000 0.241 57 N C -0.175 175.331 175.510 -0.006 0.000 1.279 57 N CA -0.022 53.025 53.050 -0.005 0.000 0.896 57 N CB 0.280 38.766 38.487 -0.002 0.000 1.118 57 N HN 0.424 nan 8.380 nan 0.000 0.438 58 N N 0.985 119.681 118.700 -0.007 0.000 2.328 58 N HA 0.038 4.778 4.740 -0.000 0.000 0.247 58 N C -0.745 174.762 175.510 -0.004 0.000 1.165 58 N CA -0.293 52.753 53.050 -0.007 0.000 0.873 58 N CB 0.325 38.806 38.487 -0.011 0.000 1.125 58 N HN 0.448 nan 8.380 nan 0.000 0.513 59 K N 1.963 122.363 120.400 -0.001 0.000 2.201 59 K HA 0.250 4.570 4.320 -0.000 0.000 0.278 59 K C 0.072 176.677 176.600 0.008 0.000 1.027 59 K CA -0.607 55.680 56.287 0.000 0.000 0.909 59 K CB 1.114 33.614 32.500 -0.000 0.000 1.062 59 K HN 0.251 nan 8.250 nan 0.000 0.465 60 I N 3.995 124.570 120.570 0.008 0.000 2.278 60 I HA 0.038 4.208 4.170 -0.000 0.000 0.296 60 I C 1.136 177.266 176.117 0.021 0.000 1.121 60 I CA -0.601 60.711 61.300 0.020 0.000 1.267 60 I CB 0.454 38.466 38.000 0.019 0.000 1.447 60 I HN 0.527 nan 8.210 nan 0.000 0.509 61 L N 6.518 127.758 121.223 0.028 0.000 2.042 61 L HA 0.051 4.391 4.340 -0.000 0.000 0.210 61 L C 0.574 177.463 176.870 0.032 0.000 1.076 61 L CA 1.860 56.717 54.840 0.028 0.000 0.749 61 L CB 0.006 42.086 42.059 0.035 0.000 0.893 61 L HN 0.505 nan 8.230 nan 0.000 0.432 62 V N 1.441 121.384 119.914 0.049 0.000 2.656 62 V HA 0.528 4.648 4.120 -0.000 0.000 0.307 62 V C -2.413 173.717 176.094 0.060 0.000 1.051 62 V CA -1.177 61.157 62.300 0.056 0.000 0.893 62 V CB 2.095 33.970 31.823 0.086 0.000 0.999 62 V HN 0.191 nan 8.190 nan 0.000 0.426 63 P HA 0.406 nan 4.420 nan 0.000 0.288 63 P C -1.438 175.894 177.300 0.055 0.000 1.300 63 P CA -1.058 62.064 63.100 0.037 0.000 0.910 63 P CB 1.842 33.540 31.700 -0.004 0.000 1.256 64 K N 0.469 120.901 120.400 0.055 0.000 2.368 64 K HA 0.337 4.657 4.320 -0.000 0.000 0.282 64 K C -0.988 175.640 176.600 0.047 0.000 1.035 64 K CA -0.233 56.097 56.287 0.072 0.000 0.973 64 K CB 0.191 32.741 32.500 0.083 0.000 0.957 64 K HN 0.199 nan 8.250 nan 0.000 0.474 65 V N 3.867 123.813 119.914 0.052 0.000 2.454 65 V HA 0.096 4.216 4.120 -0.000 0.000 0.267 65 V C -0.514 175.610 176.094 0.051 0.000 0.993 65 V CA -0.621 61.693 62.300 0.024 0.000 0.836 65 V CB 0.950 32.766 31.823 -0.011 0.000 1.055 65 V HN 0.830 nan 8.190 nan 0.000 0.452 66 S N 2.740 118.495 115.700 0.092 0.000 2.607 66 S HA 0.672 5.142 4.470 -0.000 0.000 0.303 66 S C 1.069 175.781 174.600 0.187 0.000 1.086 66 S CA 0.155 58.469 58.200 0.190 0.000 0.995 66 S CB 2.069 65.328 63.200 0.099 0.000 1.084 66 S HN 0.809 nan 8.310 nan 0.000 0.507 67 G N 1.044 110.024 108.800 0.300 0.000 3.262 67 G HA2 0.313 4.273 3.960 -0.000 0.000 0.222 67 G HA3 0.313 4.273 3.960 -0.000 0.000 0.222 67 G C 0.123 175.093 174.900 0.116 0.000 1.269 67 G CA 0.011 45.235 45.100 0.206 0.000 1.032 67 G HN 0.657 nan 8.290 nan 0.000 0.502 68 L N -0.360 120.925 121.223 0.104 0.000 3.393 68 L HA 0.287 4.627 4.340 -0.000 0.000 0.319 68 L C -0.029 176.878 176.870 0.062 0.000 1.309 68 L CA -0.204 54.676 54.840 0.067 0.000 0.962 68 L CB 0.509 42.624 42.059 0.094 0.000 1.391 68 L HN 0.149 nan 8.230 nan 0.000 0.607 69 Q N -0.641 119.203 119.800 0.073 0.000 2.337 69 Q HA 0.471 4.811 4.340 -0.000 0.000 0.266 69 Q C -1.308 174.761 176.000 0.115 0.000 1.023 69 Q CA -0.928 54.942 55.803 0.111 0.000 0.829 69 Q CB 1.900 30.697 28.738 0.098 0.000 1.306 69 Q HN -0.001 nan 8.270 nan 0.000 0.449 70 Y N 1.223 121.541 120.300 0.031 0.000 2.442 70 Y HA 0.094 4.644 4.550 -0.000 0.000 0.330 70 Y C 0.541 176.434 175.900 -0.012 0.000 1.129 70 Y CA 0.064 58.180 58.100 0.026 0.000 1.365 70 Y CB 0.685 39.145 38.460 0.001 0.000 1.233 70 Y HN 0.299 nan 8.280 nan 0.000 0.529 71 R N 3.528 124.077 120.500 0.081 0.000 2.346 71 R HA 0.292 4.632 4.340 -0.000 0.000 0.309 71 R C -1.410 174.701 176.300 -0.315 0.000 1.119 71 R CA -0.550 55.457 56.100 -0.155 0.000 1.112 71 R CB 0.284 30.436 30.300 -0.246 0.000 1.132 71 R HN 0.417 nan 8.270 nan 0.000 0.538 72 V N 5.152 124.949 119.914 -0.196 0.000 2.488 72 V HA 0.343 4.463 4.120 -0.000 0.000 0.277 72 V C 0.054 176.021 176.094 -0.211 0.000 1.046 72 V CA -0.042 62.153 62.300 -0.175 0.000 0.986 72 V CB 0.361 32.100 31.823 -0.140 0.000 0.989 72 V HN 0.331 nan 8.190 nan 0.000 0.475 73 F N 3.368 123.341 119.950 0.038 0.000 2.551 73 F HA 0.639 5.166 4.527 -0.000 0.000 0.316 73 F C 0.285 176.201 175.800 0.194 0.000 1.089 73 F CA -0.866 57.209 58.000 0.126 0.000 0.915 73 F CB 1.901 40.901 39.000 -0.000 0.000 1.186 73 F HN 0.308 nan 8.300 nan 0.000 0.456 74 R N 3.347 124.109 120.500 0.437 0.000 2.312 74 R HA 0.562 4.902 4.340 -0.000 0.000 0.310 74 R C -1.569 174.723 176.300 -0.013 0.000 1.064 74 R CA -0.684 55.649 56.100 0.388 0.000 0.983 74 R CB 0.343 30.940 30.300 0.495 0.000 1.139 74 R HN 0.605 nan 8.270 nan 0.000 0.536 75 I N 4.818 125.322 120.570 -0.110 0.000 2.379 75 I HA 0.106 4.276 4.170 -0.000 0.000 0.290 75 I C 0.303 176.229 176.117 -0.319 0.000 1.063 75 I CA -0.103 61.056 61.300 -0.234 0.000 1.351 75 I CB 0.544 38.326 38.000 -0.363 0.000 1.410 75 I HN 0.359 nan 8.210 nan 0.000 0.505 76 H N 7.573 126.587 119.070 -0.094 0.000 2.782 76 H HA 0.434 4.990 4.556 -0.000 0.000 0.285 76 H C -0.313 174.900 175.328 -0.192 0.000 1.093 76 H CA -0.284 55.695 56.048 -0.114 0.000 1.410 76 H CB 0.614 30.347 29.762 -0.048 0.000 1.439 76 H HN 0.401 nan 8.280 nan 0.000 0.469 77 L N 5.940 127.070 121.223 -0.154 0.000 2.334 77 L HA 0.409 4.749 4.340 -0.000 0.000 0.272 77 L C -2.008 174.623 176.870 -0.398 0.000 1.020 77 L CA -2.155 52.448 54.840 -0.395 0.000 0.812 77 L CB 1.518 43.241 42.059 -0.560 0.000 1.264 77 L HN 0.401 nan 8.230 nan 0.000 0.439 78 P HA 0.034 nan 4.420 nan 0.000 0.275 78 P C -1.173 176.027 177.300 -0.167 0.000 1.227 78 P CA -0.307 62.530 63.100 -0.438 0.000 0.781 78 P CB 0.846 32.118 31.700 -0.714 0.000 0.906 79 D N 4.379 124.777 120.400 -0.002 0.000 2.382 79 D HA 0.016 4.656 4.640 -0.000 0.000 0.259 79 D C -0.878 175.545 176.300 0.205 0.000 1.224 79 D CA -1.816 52.264 54.000 0.133 0.000 0.894 79 D CB 0.498 41.375 40.800 0.129 0.000 1.127 79 D HN 0.187 nan 8.370 nan 0.000 0.487 80 P HA -0.231 nan 4.420 nan 0.000 0.216 80 P C 0.486 177.950 177.300 0.274 0.000 1.153 80 P CA 1.057 64.279 63.100 0.202 0.000 0.858 80 P CB 0.174 31.717 31.700 -0.263 0.000 0.789 81 N N -0.072 118.738 118.700 0.184 0.000 2.635 81 N HA -0.086 4.654 4.740 -0.000 0.000 0.191 81 N C 1.229 176.860 175.510 0.202 0.000 1.155 81 N CA 0.944 54.103 53.050 0.181 0.000 0.927 81 N CB -0.075 38.527 38.487 0.191 0.000 0.976 81 N HN 0.436 nan 8.380 nan 0.000 0.448 82 K N -1.294 119.226 120.400 0.200 0.000 2.588 82 K HA 0.093 4.413 4.320 -0.000 0.000 0.216 82 K C -0.200 176.463 176.600 0.107 0.000 1.382 82 K CA -0.408 55.967 56.287 0.146 0.000 1.008 82 K CB 0.717 33.286 32.500 0.115 0.000 1.138 82 K HN -0.084 nan 8.250 nan 0.000 0.619 83 F N 1.782 121.682 119.950 -0.084 0.000 2.490 83 F HA 0.295 4.822 4.527 -0.000 0.000 0.336 83 F C 1.025 176.643 175.800 -0.304 0.000 1.178 83 F CA -0.333 57.468 58.000 -0.332 0.000 1.301 83 F CB 0.729 39.336 39.000 -0.655 0.000 1.175 83 F HN 0.007 nan 8.300 nan 0.000 0.593 84 G N 5.485 113.553 108.800 -1.220 0.000 3.101 84 G HA2 0.196 4.156 3.960 -0.000 0.000 0.272 84 G HA3 0.196 4.156 3.960 -0.000 0.000 0.272 84 G C -0.670 173.661 174.900 -0.950 0.000 0.801 84 G CA -0.441 44.146 45.100 -0.855 0.000 1.978 84 G HN 0.445 nan 8.290 nan 0.000 0.591 85 F N 1.685 121.398 119.950 -0.396 0.000 2.484 85 F HA 0.200 4.727 4.527 -0.000 0.000 0.360 85 F C -0.234 175.562 175.800 -0.005 0.000 1.101 85 F CA -1.801 56.145 58.000 -0.089 0.000 1.251 85 F CB 1.389 40.486 39.000 0.162 0.000 1.132 85 F HN 0.278 nan 8.300 nan 0.000 0.570 86 P HA -0.007 nan 4.420 nan 0.000 0.252 86 P C -0.871 176.547 177.300 0.197 0.000 1.265 86 P CA 0.735 63.943 63.100 0.180 0.000 0.775 86 P CB 0.093 31.901 31.700 0.180 0.000 1.128 87 D N -1.044 119.519 120.400 0.273 0.000 2.706 87 D HA 0.254 4.894 4.640 -0.000 0.000 0.225 87 D C -0.372 176.015 176.300 0.145 0.000 1.241 87 D CA -0.380 53.749 54.000 0.215 0.000 0.784 87 D CB 0.900 41.872 40.800 0.287 0.000 1.521 87 D HN -0.174 nan 8.370 nan 0.000 0.461 88 T N -0.990 113.487 114.554 -0.129 0.000 3.541 88 T HA 0.196 4.546 4.350 -0.000 0.000 0.309 88 T C 1.037 175.358 174.700 -0.632 0.000 0.973 88 T CA 0.307 62.104 62.100 -0.505 0.000 0.993 88 T CB -0.342 68.430 68.868 -0.161 0.000 1.206 88 T HN 0.252 nan 8.240 nan 0.000 0.489 89 S N 1.503 116.918 115.700 -0.475 0.000 2.425 89 S HA 0.004 4.474 4.470 -0.000 0.000 0.225 89 S C 1.775 176.226 174.600 -0.249 0.000 1.024 89 S CA 0.243 58.279 58.200 -0.274 0.000 0.951 89 S CB -1.085 62.060 63.200 -0.091 0.000 0.796 89 S HN 0.594 nan 8.310 nan 0.000 0.498 90 F N 1.965 121.919 119.950 0.006 0.000 2.373 90 F HA 0.203 4.730 4.527 -0.000 0.000 0.300 90 F C 0.902 176.731 175.800 0.047 0.000 1.080 90 F CA -0.596 57.400 58.000 -0.007 0.000 1.417 90 F CB -1.233 37.725 39.000 -0.069 0.000 1.070 90 F HN 0.473 nan 8.300 nan 0.000 0.546 91 Y N 0.074 120.133 120.300 -0.401 0.000 2.665 91 Y HA 0.597 5.147 4.550 -0.000 0.000 0.336 91 Y C -1.271 174.482 175.900 -0.245 0.000 1.085 91 Y CA -1.987 55.986 58.100 -0.211 0.000 1.096 91 Y CB 1.176 39.589 38.460 -0.078 0.000 1.301 91 Y HN -0.153 nan 8.280 nan 0.000 0.493 92 N N 2.885 121.279 118.700 -0.510 0.000 2.626 92 N HA 0.404 5.144 4.740 -0.000 0.000 0.249 92 N C -2.384 172.714 175.510 -0.687 0.000 1.021 92 N CA -2.786 49.919 53.050 -0.576 0.000 0.886 92 N CB 1.511 39.842 38.487 -0.260 0.000 1.149 92 N HN 0.405 nan 8.380 nan 0.000 0.517 93 P HA -0.065 nan 4.420 nan 0.000 0.238 93 P C -0.514 176.633 177.300 -0.255 0.000 1.175 93 P CA 1.035 63.803 63.100 -0.553 0.000 0.757 93 P CB 0.416 31.882 31.700 -0.390 0.000 0.839 94 D N -1.569 118.689 120.400 -0.235 0.000 2.531 94 D HA 0.007 4.647 4.640 -0.000 0.000 0.263 94 D C 1.502 177.743 176.300 -0.098 0.000 1.057 94 D CA 1.140 55.061 54.000 -0.132 0.000 0.909 94 D CB 0.052 40.786 40.800 -0.109 0.000 1.236 94 D HN 0.235 nan 8.370 nan 0.000 0.494 95 T N -0.820 113.669 114.554 -0.107 0.000 2.964 95 T HA 0.078 4.428 4.350 -0.000 0.000 0.249 95 T C 0.972 175.630 174.700 -0.071 0.000 1.000 95 T CA -0.216 61.842 62.100 -0.070 0.000 0.992 95 T CB 0.484 69.318 68.868 -0.056 0.000 1.087 95 T HN 0.105 nan 8.240 nan 0.000 0.489 96 Q N 0.986 120.742 119.800 -0.074 0.000 2.309 96 Q HA 0.653 4.993 4.340 -0.000 0.000 0.264 96 Q C -0.977 174.999 176.000 -0.040 0.000 1.008 96 Q CA -1.104 54.672 55.803 -0.045 0.000 0.853 96 Q CB 2.054 30.806 28.738 0.023 0.000 1.314 96 Q HN 0.018 nan 8.270 nan 0.000 0.448 97 R N 2.065 122.426 120.500 -0.231 0.000 2.711 97 R HA 0.528 4.868 4.340 -0.000 0.000 0.284 97 R C -0.583 175.535 176.300 -0.303 0.000 0.968 97 R CA -0.897 54.989 56.100 -0.357 0.000 0.924 97 R CB 1.629 31.311 30.300 -1.030 0.000 1.162 97 R HN 0.660 nan 8.270 nan 0.000 0.465 98 L N 2.556 123.640 121.223 -0.232 0.000 2.292 98 L HA 0.487 4.827 4.340 -0.000 0.000 0.284 98 L C -0.061 176.769 176.870 -0.068 0.000 1.065 98 L CA -0.673 54.028 54.840 -0.232 0.000 0.806 98 L CB 1.368 43.200 42.059 -0.379 0.000 1.175 98 L HN 0.198 nan 8.230 nan 0.000 0.431 99 V N 1.093 120.969 119.914 -0.062 0.000 3.102 99 V HA 0.435 4.555 4.120 -0.000 0.000 0.312 99 V C -1.002 174.988 176.094 -0.174 0.000 1.135 99 V CA -0.780 61.565 62.300 0.076 0.000 1.022 99 V CB 2.477 34.432 31.823 0.219 0.000 1.056 99 V HN 0.627 nan 8.190 nan 0.000 0.436 100 W N 0.874 122.184 121.300 0.017 0.000 2.449 100 W HA 0.745 5.405 4.660 -0.000 0.000 0.331 100 W C 0.090 176.605 176.519 -0.007 0.000 1.119 100 W CA -0.174 57.165 57.345 -0.010 0.000 1.240 100 W CB 1.628 31.031 29.460 -0.095 0.000 1.251 100 W HN 0.706 nan 8.180 nan 0.000 0.576 101 A N 2.141 125.205 122.820 0.405 0.000 2.374 101 A HA 0.711 5.031 4.320 -0.000 0.000 0.317 101 A C -1.572 176.243 177.584 0.385 0.000 1.094 101 A CA -0.609 51.574 52.037 0.242 0.000 0.765 101 A CB 1.317 20.372 19.000 0.092 0.000 1.268 101 A HN 0.714 nan 8.150 nan 0.000 0.438 102 C N 2.313 121.715 119.300 0.170 0.000 2.345 102 C HA 0.645 5.105 4.460 -0.000 0.000 0.323 102 C C 1.165 176.070 174.990 -0.141 0.000 1.276 102 C CA 0.179 59.227 59.018 0.051 0.000 1.543 102 C CB 0.356 28.141 27.740 0.074 0.000 2.211 102 C HN 1.193 nan 8.230 nan 0.000 0.493 103 V N 3.356 123.138 119.914 -0.220 0.000 3.612 103 V HA 0.568 4.688 4.120 -0.000 0.000 0.268 103 V C 0.716 176.638 176.094 -0.286 0.000 1.365 103 V CA 0.758 62.896 62.300 -0.270 0.000 1.044 103 V CB -0.209 31.417 31.823 -0.328 0.000 0.820 103 V HN 1.005 nan 8.190 nan 0.000 0.444 104 G N -0.489 108.078 108.800 -0.389 0.000 2.667 104 G HA2 0.662 4.622 3.960 -0.000 0.000 0.298 104 G HA3 0.662 4.622 3.960 -0.000 0.000 0.298 104 G C -1.835 172.723 174.900 -0.570 0.000 1.377 104 G CA -0.539 44.331 45.100 -0.384 0.000 0.964 104 G HN 0.310 nan 8.290 nan 0.000 0.493 105 V N 0.477 119.974 119.914 -0.696 0.000 3.048 105 V HA 0.663 4.783 4.120 -0.000 0.000 0.303 105 V C -1.050 174.479 176.094 -0.940 0.000 1.214 105 V CA -0.765 61.052 62.300 -0.805 0.000 0.984 105 V CB 2.356 33.864 31.823 -0.525 0.000 1.054 105 V HN 0.890 nan 8.190 nan 0.000 0.430 106 E N 2.113 121.746 120.200 -0.945 0.000 2.291 106 E HA 0.589 4.939 4.350 -0.000 0.000 0.276 106 E C -1.986 174.228 176.600 -0.642 0.000 0.896 106 E CA -0.435 55.397 56.400 -0.946 0.000 0.774 106 E CB 2.483 31.752 29.700 -0.718 0.000 1.227 106 E HN 0.418 nan 8.360 nan 0.000 0.413 107 V N 3.790 123.455 119.914 -0.415 0.000 2.259 107 V HA 0.363 4.483 4.120 -0.000 0.000 0.267 107 V C 0.578 176.673 176.094 0.002 0.000 1.051 107 V CA -0.407 61.839 62.300 -0.090 0.000 0.830 107 V CB 0.958 32.986 31.823 0.342 0.000 1.080 107 V HN 0.723 nan 8.190 nan 0.000 0.467 108 G N 5.028 113.761 108.800 -0.112 0.000 2.334 108 G HA2 0.334 4.294 3.960 -0.000 0.000 0.261 108 G HA3 0.334 4.294 3.960 -0.000 0.000 0.261 108 G C -0.014 174.844 174.900 -0.070 0.000 1.257 108 G CA -0.343 44.706 45.100 -0.086 0.000 0.935 108 G HN 0.420 nan 8.290 nan 0.000 0.480 109 R N 1.661 122.108 120.500 -0.088 0.000 2.514 109 R HA 0.471 4.811 4.340 -0.000 0.000 0.301 109 R C 0.460 176.678 176.300 -0.137 0.000 0.962 109 R CA -0.649 55.330 56.100 -0.202 0.000 0.882 109 R CB 2.109 32.277 30.300 -0.220 0.000 1.143 109 R HN 0.561 nan 8.270 nan 0.000 0.452 110 G N 2.247 110.949 108.800 -0.163 0.000 4.547 110 G HA2 0.160 4.120 3.960 -0.000 0.000 0.301 110 G HA3 0.160 4.120 3.960 -0.000 0.000 0.301 110 G C -0.187 174.663 174.900 -0.084 0.000 1.240 110 G CA -0.130 44.913 45.100 -0.095 0.000 0.970 110 G HN 0.258 nan 8.290 nan 0.000 0.574 111 Q N 0.666 120.410 119.800 -0.093 0.000 2.423 111 Q HA 0.370 4.710 4.340 -0.000 0.000 0.278 111 Q C -2.794 173.187 176.000 -0.033 0.000 1.097 111 Q CA -1.807 53.963 55.803 -0.055 0.000 0.809 111 Q CB 3.115 31.813 28.738 -0.066 0.000 1.391 111 Q HN 0.104 nan 8.270 nan 0.000 0.428 112 P HA 0.079 nan 4.420 nan 0.000 0.267 112 P C -0.299 177.002 177.300 0.002 0.000 1.205 112 P CA -0.396 62.702 63.100 -0.004 0.000 0.765 112 P CB 0.494 32.194 31.700 0.001 0.000 0.828 113 L N 2.927 124.153 121.223 0.005 0.000 2.525 113 L HA 0.399 4.739 4.340 -0.000 0.000 0.278 113 L C 1.337 178.213 176.870 0.011 0.000 1.218 113 L CA 1.832 56.680 54.840 0.012 0.000 0.878 113 L CB -0.510 41.559 42.059 0.017 0.000 1.127 113 L HN 0.788 nan 8.230 nan 0.000 0.492 114 G N 1.780 110.587 108.800 0.012 0.000 2.428 114 G HA2 0.555 4.515 3.960 -0.000 0.000 0.304 114 G HA3 0.555 4.515 3.960 -0.000 0.000 0.304 114 G C -1.643 173.254 174.900 -0.005 0.000 1.303 114 G CA -0.055 45.046 45.100 0.002 0.000 0.825 114 G HN 0.685 nan 8.290 nan 0.000 0.484 115 V N -1.795 118.108 119.914 -0.019 0.000 2.680 115 V HA 0.964 5.084 4.120 -0.000 0.000 0.309 115 V C 0.489 176.541 176.094 -0.071 0.000 1.052 115 V CA -0.111 62.170 62.300 -0.030 0.000 0.908 115 V CB 1.339 33.153 31.823 -0.014 0.000 1.001 115 V HN 1.617 nan 8.190 nan 0.000 0.431 116 G N 2.870 111.612 108.800 -0.097 0.000 2.389 116 G HA2 0.713 4.673 3.960 -0.000 0.000 0.328 116 G HA3 0.713 4.673 3.960 -0.000 0.000 0.328 116 G C -1.049 173.767 174.900 -0.140 0.000 1.133 116 G CA -0.749 44.254 45.100 -0.162 0.000 0.891 116 G HN 1.024 nan 8.290 nan 0.000 0.485 117 I N 0.274 120.760 120.570 -0.139 0.000 2.689 117 I HA 0.698 4.868 4.170 -0.000 0.000 0.299 117 I C -0.490 175.564 176.117 -0.106 0.000 1.059 117 I CA -0.629 60.589 61.300 -0.137 0.000 1.055 117 I CB 2.249 40.208 38.000 -0.068 0.000 1.243 117 I HN 0.529 nan 8.210 nan 0.000 0.425 118 S N 3.279 118.855 115.700 -0.207 0.000 2.661 118 S HA 0.985 5.455 4.470 -0.000 0.000 0.285 118 S C -0.462 174.205 174.600 0.111 0.000 1.138 118 S CA -0.615 57.666 58.200 0.136 0.000 0.855 118 S CB 1.962 65.207 63.200 0.074 0.000 1.136 118 S HN 1.019 nan 8.310 nan 0.000 0.484 119 G N -0.030 108.917 108.800 0.245 0.000 2.550 119 G HA2 0.555 4.515 3.960 -0.000 0.000 0.293 119 G HA3 0.555 4.515 3.960 -0.000 0.000 0.293 119 G C -2.379 172.594 174.900 0.121 0.000 1.402 119 G CA -0.459 44.718 45.100 0.128 0.000 0.784 119 G HN 0.672 nan 8.290 nan 0.000 0.482 120 H N -0.038 119.049 119.070 0.029 0.000 2.856 120 H HA 0.466 5.022 4.556 -0.000 0.000 0.355 120 H C -2.265 173.052 175.328 -0.017 0.000 1.079 120 H CA -1.693 54.359 56.048 0.007 0.000 1.240 120 H CB 3.075 32.844 29.762 0.011 0.000 1.701 120 H HN 0.148 nan 8.280 nan 0.000 0.527 121 P HA 0.087 nan 4.420 nan 0.000 0.237 121 P C -0.190 177.240 177.300 0.217 0.000 1.178 121 P CA 0.800 64.011 63.100 0.185 0.000 0.766 121 P CB 0.269 32.012 31.700 0.071 0.000 0.876 122 L N -1.055 120.390 121.223 0.370 0.000 2.472 122 L HA 0.308 4.648 4.340 -0.000 0.000 0.256 122 L C -0.597 175.972 176.870 -0.502 0.000 1.560 122 L CA -0.783 53.995 54.840 -0.102 0.000 0.805 122 L CB 0.881 42.915 42.059 -0.041 0.000 1.017 122 L HN -0.174 nan 8.230 nan 0.000 0.519 123 L N 1.029 122.070 121.223 -0.305 0.000 2.281 123 L HA 0.387 4.727 4.340 -0.000 0.000 0.285 123 L C 0.830 177.572 176.870 -0.213 0.000 1.074 123 L CA 0.312 54.971 54.840 -0.302 0.000 0.817 123 L CB 0.790 42.804 42.059 -0.075 0.000 1.168 123 L HN 0.339 nan 8.230 nan 0.000 0.434 124 N N 5.061 123.606 118.700 -0.258 0.000 2.374 124 N HA -0.077 4.663 4.740 -0.000 0.000 0.298 124 N C -0.910 174.562 175.510 -0.063 0.000 1.273 124 N CA 0.418 53.362 53.050 -0.175 0.000 1.093 124 N CB -0.299 38.062 38.487 -0.210 0.000 1.486 124 N HN 0.618 nan 8.380 nan 0.000 0.488 125 K N 3.595 123.953 120.400 -0.070 0.000 2.378 125 K HA 0.189 4.509 4.320 -0.000 0.000 0.252 125 K C -0.169 176.349 176.600 -0.137 0.000 0.931 125 K CA -0.667 55.584 56.287 -0.059 0.000 0.794 125 K CB 1.600 33.942 32.500 -0.264 0.000 1.181 125 K HN 0.260 nan 8.250 nan 0.000 0.425 126 L N 2.811 123.972 121.223 -0.103 0.000 2.428 126 L HA 0.315 4.655 4.340 -0.000 0.000 0.190 126 L C -0.416 176.375 176.870 -0.133 0.000 1.255 126 L CA 1.405 56.193 54.840 -0.086 0.000 0.848 126 L CB -0.066 41.969 42.059 -0.041 0.000 1.088 126 L HN 0.893 nan 8.230 nan 0.000 0.500 127 D N -1.967 118.367 120.400 -0.110 0.000 2.579 127 D HA 0.288 4.928 4.640 -0.000 0.000 0.257 127 D C -1.540 174.740 176.300 -0.034 0.000 1.176 127 D CA -0.600 53.341 54.000 -0.097 0.000 0.914 127 D CB 0.430 41.199 40.800 -0.052 0.000 1.431 127 D HN 0.098 nan 8.370 nan 0.000 0.454 128 D N -1.338 119.080 120.400 0.030 0.000 2.312 128 D HA 0.315 4.955 4.640 -0.000 0.000 0.252 128 D C 0.736 177.101 176.300 0.108 0.000 1.150 128 D CA -0.189 53.922 54.000 0.185 0.000 0.870 128 D CB 0.999 41.902 40.800 0.172 0.000 1.153 128 D HN 0.395 nan 8.370 nan 0.000 0.457 129 T N 0.074 114.704 114.554 0.127 0.000 3.040 129 T HA 0.046 4.396 4.350 -0.000 0.000 0.250 129 T C 1.421 176.130 174.700 0.016 0.000 1.058 129 T CA -0.202 61.941 62.100 0.071 0.000 0.988 129 T CB 0.054 69.000 68.868 0.131 0.000 0.993 129 T HN 0.525 nan 8.240 nan 0.000 0.519 130 E N 2.039 122.253 120.200 0.024 0.000 2.106 130 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 130 E C 0.287 176.877 176.600 -0.016 0.000 0.984 130 E CA 0.681 57.073 56.400 -0.013 0.000 0.806 130 E CB 0.176 29.875 29.700 -0.002 0.000 0.750 130 E HN 0.498 nan 8.360 nan 0.000 0.458 131 N N -0.791 117.911 118.700 0.003 0.000 2.648 131 N HA 0.288 5.028 4.740 -0.000 0.000 0.272 131 N C -1.741 173.765 175.510 -0.007 0.000 1.118 131 N CA -0.046 52.999 53.050 -0.008 0.000 0.973 131 N CB 1.620 40.103 38.487 -0.006 0.000 1.565 131 N HN 0.152 nan 8.380 nan 0.000 0.542 132 A N 1.592 124.396 122.820 -0.025 0.000 2.309 132 A HA 0.739 5.059 4.320 -0.000 0.000 0.317 132 A C 0.679 178.250 177.584 -0.021 0.000 1.134 132 A CA 0.086 52.104 52.037 -0.032 0.000 0.866 132 A CB 0.939 19.897 19.000 -0.069 0.000 1.329 132 A HN 0.991 nan 8.150 nan 0.000 0.477 133 S N -1.696 113.995 115.700 -0.014 0.000 2.649 133 S HA 0.617 5.087 4.470 -0.000 0.000 0.246 133 S C 0.157 174.763 174.600 0.011 0.000 1.057 133 S CA 0.729 58.929 58.200 0.000 0.000 1.051 133 S CB 0.085 63.288 63.200 0.004 0.000 1.018 133 S HN 2.372 nan 8.310 nan 0.000 0.569 134 A N 0.315 123.141 122.820 0.010 0.000 2.590 134 A HA 0.547 4.867 4.320 -0.000 0.000 0.294 134 A C -1.542 176.074 177.584 0.054 0.000 1.046 134 A CA -0.809 51.254 52.037 0.043 0.000 0.684 134 A CB -0.156 18.873 19.000 0.048 0.000 1.279 134 A HN 0.353 nan 8.150 nan 0.000 0.415 135 Y N 1.760 122.063 120.300 0.004 0.000 2.717 135 Y HA 0.307 4.857 4.550 -0.000 0.000 0.330 135 Y C 1.215 177.115 175.900 0.000 0.000 1.217 135 Y CA 1.280 59.382 58.100 0.003 0.000 1.506 135 Y CB 0.555 39.015 38.460 0.000 0.000 1.268 135 Y HN 1.138 nan 8.280 nan 0.000 0.561 136 A N 4.766 127.652 122.820 0.110 0.000 2.587 136 A HA 0.354 4.674 4.320 -0.000 0.000 0.233 136 A C 0.080 177.768 177.584 0.173 0.000 1.049 136 A CA 0.204 52.307 52.037 0.110 0.000 0.754 136 A CB -0.421 18.595 19.000 0.027 0.000 0.977 136 A HN 0.956 nan 8.150 nan 0.000 0.509 137 A N 3.249 126.120 122.820 0.085 0.000 2.304 137 A HA 0.551 4.871 4.320 -0.000 0.000 0.301 137 A C 0.481 178.095 177.584 0.051 0.000 1.132 137 A CA -0.708 51.368 52.037 0.065 0.000 0.819 137 A CB 0.032 19.052 19.000 0.033 0.000 1.094 137 A HN 0.935 nan 8.150 nan 0.000 0.492 138 N N 0.007 118.729 118.700 0.037 0.000 2.237 138 N HA 0.331 5.071 4.740 -0.000 0.000 0.222 138 N C -0.060 175.456 175.510 0.010 0.000 1.311 138 N CA 1.156 54.221 53.050 0.024 0.000 0.880 138 N CB 0.243 38.735 38.487 0.008 0.000 1.106 138 N HN 0.813 nan 8.380 nan 0.000 0.435 139 A N 0.173 122.994 122.820 0.002 0.000 2.256 139 A HA 0.617 4.937 4.320 -0.000 0.000 0.317 139 A C 1.173 178.749 177.584 -0.013 0.000 1.318 139 A CA -0.359 51.672 52.037 -0.010 0.000 0.894 139 A CB -0.053 18.937 19.000 -0.017 0.000 1.165 139 A HN 0.638 nan 8.150 nan 0.000 0.525 140 G N 1.215 110.006 108.800 -0.015 0.000 2.041 140 G HA2 0.154 4.114 3.960 -0.000 0.000 0.187 140 G HA3 0.154 4.114 3.960 -0.000 0.000 0.187 140 G C 0.242 175.131 174.900 -0.019 0.000 1.497 140 G CA 1.154 46.244 45.100 -0.016 0.000 1.012 140 G HN 1.016 nan 8.290 nan 0.000 0.383 141 V N 0.376 120.277 119.914 -0.022 0.000 2.604 141 V HA 0.503 4.623 4.120 -0.000 0.000 0.305 141 V C -0.186 175.889 176.094 -0.031 0.000 1.043 141 V CA 0.194 62.478 62.300 -0.026 0.000 0.888 141 V CB 1.618 33.427 31.823 -0.023 0.000 0.995 141 V HN 0.801 nan 8.190 nan 0.000 0.429 142 D N 2.946 123.323 120.400 -0.038 0.000 2.786 142 D HA -0.143 4.497 4.640 -0.000 0.000 0.243 142 D C 0.701 176.972 176.300 -0.048 0.000 1.084 142 D CA 0.547 54.520 54.000 -0.045 0.000 0.731 142 D CB -0.858 39.919 40.800 -0.039 0.000 1.079 142 D HN 0.773 nan 8.370 nan 0.000 0.435 143 N N 0.083 118.752 118.700 -0.052 0.000 2.571 143 N HA -0.029 4.711 4.740 -0.000 0.000 0.189 143 N C 0.424 175.888 175.510 -0.075 0.000 1.154 143 N CA 0.190 53.205 53.050 -0.058 0.000 0.907 143 N CB 0.096 38.548 38.487 -0.058 0.000 0.977 143 N HN 0.343 nan 8.380 nan 0.000 0.449 144 R N 1.601 122.052 120.500 -0.083 0.000 2.538 144 R HA -0.047 4.293 4.340 -0.000 0.000 0.273 144 R C 0.115 176.359 176.300 -0.093 0.000 0.967 144 R CA 0.832 56.868 56.100 -0.105 0.000 1.101 144 R CB 0.145 30.380 30.300 -0.109 0.000 0.908 144 R HN 0.374 nan 8.270 nan 0.000 0.411 145 E N 1.066 121.204 120.200 -0.104 0.000 2.416 145 E HA 0.142 4.492 4.350 -0.000 0.000 0.273 145 E C -1.048 175.517 176.600 -0.059 0.000 0.935 145 E CA -0.871 55.479 56.400 -0.084 0.000 0.784 145 E CB 1.943 31.574 29.700 -0.116 0.000 1.301 145 E HN 0.474 nan 8.360 nan 0.000 0.454 146 C N 2.669 121.950 119.300 -0.033 0.000 2.383 146 C HA 0.434 4.894 4.460 -0.000 0.000 0.350 146 C C -0.027 174.965 174.990 0.004 0.000 1.173 146 C CA -0.129 58.891 59.018 0.003 0.000 1.645 146 C CB -2.235 25.506 27.740 0.002 0.000 2.221 146 C HN 0.396 nan 8.230 nan 0.000 0.528 147 I N 5.243 125.834 120.570 0.035 0.000 2.846 147 I HA 0.588 4.758 4.170 -0.000 0.000 0.307 147 I C 0.170 176.345 176.117 0.097 0.000 1.053 147 I CA -0.028 61.310 61.300 0.064 0.000 1.050 147 I CB 2.475 40.535 38.000 0.099 0.000 1.239 147 I HN 0.660 nan 8.210 nan 0.000 0.439 148 S N 4.962 120.714 115.700 0.087 0.000 2.661 148 S HA 0.873 5.343 4.470 -0.000 0.000 0.285 148 S C -0.693 173.934 174.600 0.045 0.000 1.138 148 S CA -0.798 57.442 58.200 0.066 0.000 0.855 148 S CB 2.541 65.762 63.200 0.035 0.000 1.136 148 S HN 0.649 nan 8.310 nan 0.000 0.484 149 M N -0.372 119.202 119.600 -0.044 0.000 3.385 149 M HA 0.587 5.067 4.480 -0.000 0.000 0.286 149 M C -2.290 173.893 176.300 -0.194 0.000 1.381 149 M CA -0.674 54.571 55.300 -0.091 0.000 0.813 149 M CB 0.986 33.552 32.600 -0.057 0.000 1.731 149 M HN 0.698 nan 8.290 nan 0.000 0.460 150 D N 1.068 121.369 120.400 -0.164 0.000 2.464 150 D HA 0.376 5.016 4.640 -0.000 0.000 0.243 150 D C -0.837 175.421 176.300 -0.070 0.000 1.104 150 D CA -0.225 53.682 54.000 -0.155 0.000 0.883 150 D CB 0.056 40.812 40.800 -0.072 0.000 1.050 150 D HN 0.576 nan 8.370 nan 0.000 0.524 151 Y N 1.328 121.604 120.300 -0.041 0.000 2.741 151 Y HA -0.167 4.383 4.550 -0.000 0.000 0.351 151 Y C 1.752 177.619 175.900 -0.054 0.000 1.274 151 Y CA -0.475 57.587 58.100 -0.065 0.000 1.482 151 Y CB 0.789 39.241 38.460 -0.013 0.000 1.357 151 Y HN 0.299 nan 8.280 nan 0.000 0.657 152 K N 2.513 122.979 120.400 0.111 0.000 2.484 152 K HA -0.062 4.258 4.320 -0.000 0.000 0.280 152 K C -0.583 176.071 176.600 0.090 0.000 1.013 152 K CA -0.236 56.093 56.287 0.069 0.000 1.029 152 K CB 0.423 32.941 32.500 0.029 0.000 0.902 152 K HN 0.591 nan 8.250 nan 0.000 0.481 153 Q N 2.631 122.486 119.800 0.091 0.000 2.281 153 Q HA 0.058 4.398 4.340 -0.000 0.000 0.267 153 Q C -0.935 175.119 176.000 0.090 0.000 1.053 153 Q CA 0.213 56.071 55.803 0.090 0.000 0.905 153 Q CB 0.837 29.627 28.738 0.087 0.000 1.195 153 Q HN 0.697 nan 8.270 nan 0.000 0.398 154 T N 3.971 118.581 114.554 0.093 0.000 2.840 154 T HA 0.316 4.666 4.350 -0.000 0.000 0.287 154 T C -0.819 173.953 174.700 0.120 0.000 0.991 154 T CA -0.639 61.523 62.100 0.103 0.000 0.964 154 T CB 1.470 70.391 68.868 0.088 0.000 0.954 154 T HN 0.513 nan 8.240 nan 0.000 0.438 155 Q N 3.223 123.108 119.800 0.142 0.000 2.347 155 Q HA 0.628 4.968 4.340 -0.000 0.000 0.265 155 Q C -1.502 174.595 176.000 0.161 0.000 1.024 155 Q CA -0.816 55.108 55.803 0.203 0.000 0.731 155 Q CB 0.550 29.382 28.738 0.156 0.000 1.245 155 Q HN 0.711 nan 8.270 nan 0.000 0.472 156 L N 0.201 121.577 121.223 0.254 0.000 2.540 156 L HA 0.913 5.253 4.340 -0.000 0.000 0.256 156 L C -1.596 175.442 176.870 0.279 0.000 1.001 156 L CA -0.868 54.072 54.840 0.166 0.000 0.843 156 L CB 1.961 44.126 42.059 0.177 0.000 1.436 156 L HN 0.512 nan 8.230 nan 0.000 0.410 157 C N 1.920 121.293 119.300 0.122 0.000 2.783 157 C HA 0.886 5.346 4.460 -0.000 0.000 0.312 157 C C -1.292 173.753 174.990 0.092 0.000 1.182 157 C CA -0.469 58.657 59.018 0.180 0.000 1.432 157 C CB 1.174 28.948 27.740 0.057 0.000 1.933 157 C HN 0.893 nan 8.230 nan 0.000 0.473 158 L N 5.764 127.096 121.223 0.183 0.000 2.431 158 L HA 0.685 5.025 4.340 -0.000 0.000 0.266 158 L C -0.819 176.193 176.870 0.237 0.000 0.978 158 L CA -0.530 54.418 54.840 0.180 0.000 0.822 158 L CB 1.856 44.005 42.059 0.149 0.000 1.310 158 L HN 0.547 nan 8.230 nan 0.000 0.409 159 I N 1.482 122.222 120.570 0.284 0.000 2.533 159 I HA 0.806 4.976 4.170 -0.000 0.000 0.290 159 I C 0.025 176.229 176.117 0.145 0.000 1.056 159 I CA -0.248 61.276 61.300 0.374 0.000 1.057 159 I CB 2.261 40.626 38.000 0.608 0.000 1.240 159 I HN 0.738 nan 8.210 nan 0.000 0.423 160 G N 2.662 111.496 108.800 0.056 0.000 2.608 160 G HA2 0.359 4.319 3.960 -0.000 0.000 0.291 160 G HA3 0.359 4.319 3.960 -0.000 0.000 0.291 160 G C 0.062 174.954 174.900 -0.013 0.000 1.425 160 G CA -0.236 44.653 45.100 -0.352 0.000 0.787 160 G HN 0.732 nan 8.290 nan 0.000 0.484 161 C N -1.601 117.662 119.300 -0.063 0.000 2.590 161 C HA 0.507 4.967 4.460 -0.000 0.000 0.272 161 C C 0.524 175.460 174.990 -0.091 0.000 1.338 161 C CA -0.303 58.702 59.018 -0.023 0.000 1.746 161 C CB -0.695 27.111 27.740 0.110 0.000 2.020 161 C HN 0.324 nan 8.230 nan 0.000 0.531 162 K N 2.004 122.420 120.400 0.026 0.000 2.166 162 K HA 0.583 4.903 4.320 -0.000 0.000 0.245 162 K C -2.772 174.044 176.600 0.360 0.000 0.967 162 K CA -2.375 53.985 56.287 0.121 0.000 0.863 162 K CB 0.749 33.272 32.500 0.038 0.000 1.107 162 K HN 0.082 nan 8.250 nan 0.000 0.436 163 P HA 0.193 nan 4.420 nan 0.000 0.274 163 P C -2.432 174.748 177.300 -0.199 0.000 1.237 163 P CA -1.158 61.793 63.100 -0.248 0.000 0.793 163 P CB -0.172 31.177 31.700 -0.585 0.000 0.977 164 P HA 0.357 nan 4.420 nan 0.000 0.276 164 P C -0.603 176.572 177.300 -0.208 0.000 1.252 164 P CA -0.117 62.870 63.100 -0.188 0.000 0.802 164 P CB 0.863 32.455 31.700 -0.179 0.000 1.035 165 I N 0.362 120.816 120.570 -0.193 0.000 2.468 165 I HA 0.379 4.549 4.170 -0.000 0.000 0.285 165 I C 0.753 176.729 176.117 -0.235 0.000 1.039 165 I CA -0.553 60.631 61.300 -0.193 0.000 1.074 165 I CB 1.953 39.865 38.000 -0.147 0.000 1.228 165 I HN 0.351 nan 8.210 nan 0.000 0.436 166 G N 4.340 112.999 108.800 -0.236 0.000 2.502 166 G HA2 0.673 4.633 3.960 -0.000 0.000 0.305 166 G HA3 0.673 4.633 3.960 -0.000 0.000 0.305 166 G C -0.717 174.100 174.900 -0.138 0.000 1.190 166 G CA -0.298 44.666 45.100 -0.226 0.000 0.933 166 G HN 0.687 nan 8.290 nan 0.000 0.503 167 E N -1.064 119.068 120.200 -0.113 0.000 2.339 167 E HA 0.727 5.077 4.350 -0.000 0.000 0.262 167 E C -0.822 175.754 176.600 -0.039 0.000 0.934 167 E CA -1.060 55.261 56.400 -0.133 0.000 0.802 167 E CB 2.235 31.822 29.700 -0.188 0.000 1.275 167 E HN 0.794 nan 8.360 nan 0.000 0.427 168 H N -1.289 117.606 119.070 -0.291 0.000 2.988 168 H HA 0.116 4.672 4.556 -0.000 0.000 0.284 168 H C -1.987 173.147 175.328 -0.324 0.000 1.284 168 H CA -1.139 54.769 56.048 -0.233 0.000 1.431 168 H CB -0.458 29.229 29.762 -0.125 0.000 1.954 168 H HN 0.670 nan 8.280 nan 0.000 0.509 169 W N 1.486 122.733 121.300 -0.089 0.000 2.253 169 W HA 0.625 5.285 4.660 -0.000 0.000 0.348 169 W C 0.733 177.208 176.519 -0.073 0.000 1.229 169 W CA 0.867 58.142 57.345 -0.115 0.000 1.335 169 W CB 1.697 31.143 29.460 -0.024 0.000 1.165 169 W HN 0.971 nan 8.180 nan 0.000 0.631 170 G N 0.370 109.287 108.800 0.195 0.000 2.548 170 G HA2 0.343 4.303 3.960 -0.000 0.000 0.301 170 G HA3 0.343 4.303 3.960 -0.000 0.000 0.301 170 G C -2.036 172.925 174.900 0.103 0.000 1.349 170 G CA -1.150 44.024 45.100 0.122 0.000 0.792 170 G HN 0.306 nan 8.290 nan 0.000 0.481 171 K N -0.088 120.357 120.400 0.075 0.000 2.248 171 K HA 0.548 4.868 4.320 -0.000 0.000 0.281 171 K C 0.234 176.859 176.600 0.042 0.000 1.054 171 K CA -0.323 55.999 56.287 0.058 0.000 0.903 171 K CB 0.910 33.437 32.500 0.046 0.000 1.077 171 K HN 0.628 nan 8.250 nan 0.000 0.474 172 G N 2.785 111.611 108.800 0.043 0.000 4.649 172 G HA2 0.113 4.073 3.960 -0.000 0.000 0.312 172 G HA3 0.113 4.073 3.960 -0.000 0.000 0.312 172 G C -0.699 174.215 174.900 0.023 0.000 1.403 172 G CA -0.492 44.624 45.100 0.027 0.000 1.248 172 G HN 0.700 nan 8.290 nan 0.000 0.581 173 S N 1.154 116.867 115.700 0.021 0.000 4.412 173 S HA -0.146 4.324 4.470 -0.000 0.000 0.380 173 S C -1.187 173.422 174.600 0.016 0.000 0.805 173 S CA 0.012 58.222 58.200 0.016 0.000 1.256 173 S CB -0.066 63.141 63.200 0.010 0.000 2.159 173 S HN 0.521 nan 8.310 nan 0.000 0.379 174 P HA -0.077 nan 4.420 nan 0.000 0.291 174 P C 0.180 177.488 177.300 0.014 0.000 1.855 174 P CA 0.018 63.127 63.100 0.015 0.000 1.607 174 P CB 0.392 32.099 31.700 0.012 0.000 0.655 175 C N -1.479 117.828 119.300 0.012 0.000 2.498 175 C HA 0.325 4.785 4.460 -0.000 0.000 0.316 175 C C -0.210 174.785 174.990 0.008 0.000 1.209 175 C CA -0.162 58.862 59.018 0.010 0.000 1.518 175 C CB 0.905 28.651 27.740 0.011 0.000 2.147 175 C HN 0.406 nan 8.230 nan 0.000 0.483 176 T N 4.447 119.005 114.554 0.007 0.000 2.750 176 T HA 0.441 4.791 4.350 -0.000 0.000 0.286 176 T C -0.419 174.284 174.700 0.005 0.000 0.911 176 T CA 0.363 62.466 62.100 0.006 0.000 1.130 176 T CB -0.141 68.730 68.868 0.005 0.000 0.873 176 T HN 0.780 nan 8.240 nan 0.000 0.536 177 Q N 0.540 120.343 119.800 0.005 0.000 3.012 177 Q HA 0.211 4.551 4.340 -0.000 0.000 0.285 177 Q C -0.961 175.042 176.000 0.004 0.000 0.922 177 Q CA -0.935 54.870 55.803 0.004 0.000 0.813 177 Q CB 0.865 29.606 28.738 0.005 0.000 1.779 177 Q HN 0.357 nan 8.270 nan 0.000 0.500 178 V N 0.564 120.481 119.914 0.004 0.000 5.767 178 V HA -0.283 3.837 4.120 -0.000 0.000 0.141 178 V C 0.786 176.882 176.094 0.004 0.000 0.729 178 V CA 1.359 63.661 62.300 0.003 0.000 0.497 178 V CB -1.615 30.210 31.823 0.003 0.000 0.230 178 V HN 0.887 nan 8.190 nan 0.000 0.365 179 A N 4.307 127.129 122.820 0.003 0.000 2.855 179 A HA 0.414 4.734 4.320 -0.000 0.000 0.246 179 A C 0.923 178.509 177.584 0.003 0.000 1.871 179 A CA 0.483 52.522 52.037 0.003 0.000 1.569 179 A CB -1.099 17.902 19.000 0.002 0.000 0.836 179 A HN 2.068 nan 8.150 nan 0.000 0.625 180 V N -2.525 117.391 119.914 0.003 0.000 3.901 180 V HA -0.236 3.884 4.120 -0.000 0.000 0.546 180 V C 0.371 176.466 176.094 0.001 0.000 0.886 180 V CA 1.032 63.334 62.300 0.002 0.000 2.133 180 V CB -0.407 31.418 31.823 0.003 0.000 2.462 180 V HN 0.891 nan 8.190 nan 0.000 0.525 181 Q N 3.301 123.101 119.800 0.001 0.000 2.368 181 Q HA 0.396 4.736 4.340 -0.000 0.000 0.256 181 Q C -2.596 173.403 176.000 -0.001 0.000 0.980 181 Q CA -2.358 53.445 55.803 -0.001 0.000 0.887 181 Q CB 1.528 30.266 28.738 -0.001 0.000 1.221 181 Q HN 0.699 nan 8.270 nan 0.000 0.458 182 P HA -0.044 nan 4.420 nan 0.000 0.255 182 P C 0.277 177.575 177.300 -0.004 0.000 1.151 182 P CA 1.436 64.535 63.100 -0.002 0.000 0.767 182 P CB 0.255 31.954 31.700 -0.003 0.000 0.736 183 G N 3.269 112.067 108.800 -0.003 0.000 4.020 183 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.195 183 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.195 183 G C -0.399 174.498 174.900 -0.004 0.000 1.819 183 G CA -0.524 44.573 45.100 -0.005 0.000 1.109 183 G HN 0.464 nan 8.290 nan 0.000 0.385 184 D N 1.955 122.354 120.400 -0.002 0.000 3.465 184 D HA 0.221 4.860 4.640 -0.000 0.000 0.252 184 D C 1.291 177.591 176.300 0.000 0.000 1.399 184 D CA 0.951 54.951 54.000 -0.000 0.000 0.946 184 D CB -0.219 40.582 40.800 0.001 0.000 1.183 184 D HN 0.722 nan 8.370 nan 0.000 0.622 185 C N 4.575 123.874 119.300 -0.002 0.000 2.547 185 C HA -0.050 4.410 4.460 -0.000 0.000 0.387 185 C C -1.819 173.173 174.990 0.003 0.000 1.349 185 C CA -1.218 57.799 59.018 -0.002 0.000 1.626 185 C CB -0.183 27.553 27.740 -0.007 0.000 2.579 185 C HN 0.490 nan 8.230 nan 0.000 0.594 186 P HA 0.323 nan 4.420 nan 0.000 0.275 186 P C -2.527 174.784 177.300 0.019 0.000 1.228 186 P CA -0.631 62.479 63.100 0.016 0.000 0.786 186 P CB 0.170 31.884 31.700 0.024 0.000 0.927 187 P HA 0.093 nan 4.420 nan 0.000 0.275 187 P C -0.417 176.920 177.300 0.062 0.000 1.276 187 P CA 0.198 63.320 63.100 0.037 0.000 0.782 187 P CB 0.195 31.916 31.700 0.035 0.000 0.851 188 L N 3.174 124.438 121.223 0.069 0.000 2.475 188 L HA 0.426 4.766 4.340 -0.000 0.000 0.253 188 L C 0.751 177.763 176.870 0.236 0.000 1.198 188 L CA 0.286 55.216 54.840 0.151 0.000 0.814 188 L CB -0.049 42.063 42.059 0.088 0.000 1.134 188 L HN 0.470 nan 8.230 nan 0.000 0.478 189 E N 1.177 121.592 120.200 0.359 0.000 2.846 189 E HA 0.090 4.440 4.350 -0.000 0.000 0.363 189 E C -1.482 175.080 176.600 -0.063 0.000 0.933 189 E CA -0.674 55.838 56.400 0.186 0.000 0.766 189 E CB 0.912 30.647 29.700 0.058 0.000 1.404 189 E HN 0.345 nan 8.360 nan 0.000 0.408 190 L N 5.722 126.699 121.223 -0.409 0.000 2.700 190 L HA 0.129 4.469 4.340 -0.000 0.000 0.276 190 L C -1.009 175.578 176.870 -0.471 0.000 1.200 190 L CA 1.378 55.730 54.840 -0.814 0.000 0.951 190 L CB -0.113 41.434 42.059 -0.854 0.000 1.226 190 L HN 0.468 nan 8.230 nan 0.000 0.489 191 I N 5.620 125.863 120.570 -0.545 0.000 2.436 191 I HA 0.330 4.500 4.170 -0.000 0.000 0.289 191 I C 0.028 175.943 176.117 -0.338 0.000 1.010 191 I CA -0.681 60.381 61.300 -0.397 0.000 1.098 191 I CB 1.321 39.047 38.000 -0.457 0.000 1.266 191 I HN 0.545 nan 8.210 nan 0.000 0.434 192 N N 3.476 122.057 118.700 -0.198 0.000 2.513 192 N HA 0.451 5.191 4.740 -0.000 0.000 0.274 192 N C -0.226 175.254 175.510 -0.050 0.000 1.189 192 N CA 0.102 53.074 53.050 -0.130 0.000 0.975 192 N CB 1.925 40.344 38.487 -0.113 0.000 1.157 192 N HN 0.677 nan 8.380 nan 0.000 0.465 193 T N -1.967 112.564 114.554 -0.038 0.000 2.711 193 T HA 0.325 4.675 4.350 -0.000 0.000 0.302 193 T C -1.508 173.160 174.700 -0.053 0.000 1.373 193 T CA -0.645 61.454 62.100 -0.001 0.000 1.000 193 T CB 0.430 69.332 68.868 0.057 0.000 1.483 193 T HN 0.008 nan 8.240 nan 0.000 0.499 194 V N 2.979 122.882 119.914 -0.018 0.000 2.406 194 V HA 0.409 4.529 4.120 -0.000 0.000 0.272 194 V C 0.502 176.543 176.094 -0.088 0.000 1.043 194 V CA -0.538 61.700 62.300 -0.103 0.000 0.915 194 V CB 0.645 32.329 31.823 -0.232 0.000 0.988 194 V HN 0.691 nan 8.190 nan 0.000 0.466 195 I N 5.880 126.339 120.570 -0.185 0.000 2.357 195 I HA 0.101 4.271 4.170 -0.000 0.000 0.300 195 I C 0.916 176.969 176.117 -0.107 0.000 1.159 195 I CA 0.290 61.423 61.300 -0.278 0.000 1.339 195 I CB -0.320 37.366 38.000 -0.523 0.000 1.458 195 I HN 0.702 nan 8.210 nan 0.000 0.577 196 Q N 3.725 123.531 119.800 0.011 0.000 2.407 196 Q HA 0.101 4.441 4.340 -0.000 0.000 0.214 196 Q C 0.221 176.263 176.000 0.070 0.000 1.043 196 Q CA -0.623 55.261 55.803 0.135 0.000 0.983 196 Q CB 0.801 29.532 28.738 -0.011 0.000 1.211 196 Q HN 0.465 nan 8.270 nan 0.000 0.564 197 D N -0.741 119.732 120.400 0.122 0.000 2.417 197 D HA 0.082 4.722 4.640 -0.000 0.000 0.250 197 D C 0.397 176.703 176.300 0.010 0.000 1.166 197 D CA 1.313 55.342 54.000 0.047 0.000 0.881 197 D CB 0.442 41.254 40.800 0.020 0.000 1.164 197 D HN 0.747 nan 8.370 nan 0.000 0.467 198 G N 3.872 112.701 108.800 0.050 0.000 2.255 198 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.196 198 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.196 198 G C 0.149 175.089 174.900 0.067 0.000 0.998 198 G CA -0.183 44.939 45.100 0.036 0.000 0.656 198 G HN 0.579 nan 8.290 nan 0.000 0.490 199 D N 1.082 121.531 120.400 0.082 0.000 2.360 199 D HA 0.464 5.104 4.640 -0.000 0.000 0.242 199 D C 0.923 177.342 176.300 0.198 0.000 1.184 199 D CA 0.189 54.232 54.000 0.072 0.000 0.930 199 D CB 0.424 41.194 40.800 -0.050 0.000 1.161 199 D HN 0.005 nan 8.370 nan 0.000 0.447 200 M N 1.554 121.241 119.600 0.144 0.000 2.084 200 M HA 0.140 4.620 4.480 -0.000 0.000 0.351 200 M C 0.135 176.591 176.300 0.260 0.000 1.240 200 M CA -0.912 54.493 55.300 0.174 0.000 1.083 200 M CB 0.511 33.175 32.600 0.107 0.000 1.593 200 M HN 0.163 nan 8.290 nan 0.000 0.463 201 V N 0.565 120.628 119.914 0.248 0.000 3.524 201 V HA 0.034 4.154 4.120 -0.000 0.000 0.303 201 V C 0.556 176.740 176.094 0.150 0.000 1.130 201 V CA -0.576 61.855 62.300 0.219 0.000 1.225 201 V CB 0.107 31.892 31.823 -0.063 0.000 1.056 201 V HN 0.826 nan 8.190 nan 0.000 0.495 202 D N 1.625 122.132 120.400 0.179 0.000 2.525 202 D HA 0.066 4.706 4.640 -0.000 0.000 0.235 202 D C 1.149 177.443 176.300 -0.010 0.000 1.137 202 D CA 0.981 55.038 54.000 0.094 0.000 0.868 202 D CB 1.206 42.048 40.800 0.070 0.000 1.180 202 D HN 1.042 nan 8.370 nan 0.000 0.465 203 T N 0.272 114.773 114.554 -0.089 0.000 3.044 203 T HA 0.427 4.777 4.350 -0.000 0.000 0.260 203 T C 1.250 175.826 174.700 -0.206 0.000 1.019 203 T CA 0.287 62.204 62.100 -0.306 0.000 0.921 203 T CB 0.400 68.758 68.868 -0.850 0.000 1.053 203 T HN 0.593 nan 8.240 nan 0.000 0.533 204 G N 1.026 109.743 108.800 -0.139 0.000 2.218 204 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 204 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 204 G C 0.356 175.111 174.900 -0.243 0.000 0.994 204 G CA -0.164 44.813 45.100 -0.204 0.000 0.637 204 G HN 0.519 nan 8.290 nan 0.000 0.505 205 F N 2.003 122.018 119.950 0.108 0.000 2.732 205 F HA 0.451 4.978 4.527 -0.000 0.000 0.303 205 F C 1.666 177.596 175.800 0.217 0.000 1.110 205 F CA 0.898 58.995 58.000 0.161 0.000 1.355 205 F CB 0.747 39.837 39.000 0.150 0.000 1.081 205 F HN 0.740 nan 8.300 nan 0.000 0.565 206 G N 0.610 109.580 108.800 0.283 0.000 2.555 206 G HA2 0.198 4.158 3.960 -0.000 0.000 0.686 206 G HA3 0.198 4.158 3.960 -0.000 0.000 0.686 206 G C -1.303 173.728 174.900 0.218 0.000 1.275 206 G CA -0.782 44.454 45.100 0.226 0.000 0.871 206 G HN 0.404 nan 8.290 nan 0.000 0.603 207 A N 0.939 123.887 122.820 0.212 0.000 2.260 207 A HA 0.977 5.297 4.320 -0.000 0.000 0.314 207 A C 0.434 178.140 177.584 0.202 0.000 1.257 207 A CA 0.771 52.913 52.037 0.174 0.000 0.871 207 A CB 0.433 19.541 19.000 0.181 0.000 1.166 207 A HN 2.262 nan 8.150 nan 0.000 0.522 208 M N 0.672 120.256 119.600 -0.026 0.000 3.855 208 M HA 0.589 5.069 4.480 -0.000 0.000 0.367 208 M C -2.159 174.019 176.300 -0.202 0.000 1.680 208 M CA -0.738 54.562 55.300 0.000 0.000 0.869 208 M CB 1.374 34.003 32.600 0.049 0.000 2.350 208 M HN 0.413 nan 8.290 nan 0.000 0.481 209 D N 0.395 120.742 120.400 -0.088 0.000 2.505 209 D HA 0.472 5.112 4.640 -0.000 0.000 0.250 209 D C -0.537 175.712 176.300 -0.085 0.000 1.164 209 D CA -0.432 53.487 54.000 -0.135 0.000 0.870 209 D CB 0.977 41.804 40.800 0.045 0.000 1.160 209 D HN 0.598 nan 8.370 nan 0.000 0.549 210 F N 1.139 121.121 119.950 0.054 0.000 2.325 210 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 210 F C 2.345 178.157 175.800 0.019 0.000 1.090 210 F CA 0.522 58.540 58.000 0.031 0.000 1.392 210 F CB 0.289 39.304 39.000 0.025 0.000 1.053 210 F HN 0.307 nan 8.300 nan 0.000 0.521 211 T N -1.297 113.355 114.554 0.163 0.000 2.915 211 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 211 T C 2.029 176.775 174.700 0.077 0.000 1.071 211 T CA 1.876 64.036 62.100 0.101 0.000 1.132 211 T CB -0.401 68.506 68.868 0.064 0.000 0.878 211 T HN 0.424 nan 8.240 nan 0.000 0.479 212 T N -1.127 113.475 114.554 0.080 0.000 2.990 212 T HA 0.269 4.619 4.350 -0.000 0.000 0.249 212 T C 1.744 176.483 174.700 0.066 0.000 1.039 212 T CA -0.280 61.858 62.100 0.063 0.000 1.036 212 T CB -0.085 68.818 68.868 0.058 0.000 0.994 212 T HN 0.086 nan 8.240 nan 0.000 0.489 213 L N 0.638 121.915 121.223 0.090 0.000 2.249 213 L HA 0.356 4.695 4.340 -0.000 0.000 0.207 213 L C 0.797 177.704 176.870 0.063 0.000 1.090 213 L CA 1.153 56.042 54.840 0.081 0.000 0.802 213 L CB -0.627 41.499 42.059 0.113 0.000 0.947 213 L HN 0.474 nan 8.230 nan 0.000 0.453 214 Q N -0.759 119.089 119.800 0.081 0.000 2.462 214 Q HA 0.349 4.689 4.340 -0.000 0.000 0.247 214 Q C 0.860 176.874 176.000 0.022 0.000 1.044 214 Q CA -0.115 55.706 55.803 0.030 0.000 0.803 214 Q CB 1.709 30.459 28.738 0.020 0.000 1.190 214 Q HN 0.137 nan 8.270 nan 0.000 0.507 215 A N 3.060 125.883 122.820 0.005 0.000 1.930 215 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 215 A C 1.865 179.440 177.584 -0.016 0.000 1.175 215 A CA 1.512 53.549 52.037 -0.001 0.000 0.627 215 A CB -0.363 18.635 19.000 -0.004 0.000 0.815 215 A HN 0.824 nan 8.150 nan 0.000 0.443 216 N N 0.087 118.764 118.700 -0.038 0.000 2.171 216 N HA -0.317 4.423 4.740 -0.000 0.000 0.200 216 N C 0.920 176.397 175.510 -0.055 0.000 0.991 216 N CA 2.398 55.409 53.050 -0.064 0.000 0.906 216 N CB -0.332 38.093 38.487 -0.102 0.000 1.060 216 N HN 0.591 nan 8.380 nan 0.000 0.510 217 K N -1.843 118.537 120.400 -0.034 0.000 3.467 217 K HA -0.169 4.151 4.320 -0.000 0.000 0.309 217 K C -1.240 175.374 176.600 0.022 0.000 1.350 217 K CA 1.001 57.291 56.287 0.006 0.000 0.934 217 K CB -1.746 30.764 32.500 0.017 0.000 1.312 217 K HN 0.486 nan 8.250 nan 0.000 0.461 218 S N -1.065 114.577 115.700 -0.097 0.000 2.930 218 S HA 0.176 4.646 4.470 -0.000 0.000 0.138 218 S C -0.358 174.018 174.600 -0.373 0.000 0.769 218 S CA -0.815 57.221 58.200 -0.273 0.000 0.888 218 S CB 0.461 63.362 63.200 -0.498 0.000 1.618 218 S HN 0.274 nan 8.310 nan 0.000 0.551 219 E N 0.572 120.566 120.200 -0.344 0.000 2.702 219 E HA 0.231 4.581 4.350 -0.000 0.000 0.225 219 E C 0.016 176.223 176.600 -0.656 0.000 0.942 219 E CA 0.305 56.399 56.400 -0.510 0.000 1.210 219 E CB 1.806 31.207 29.700 -0.498 0.000 1.143 219 E HN 0.722 nan 8.360 nan 0.000 0.544 220 V N -1.547 118.111 119.914 -0.427 0.000 3.012 220 V HA 0.495 4.615 4.120 -0.000 0.000 0.307 220 V C -2.997 173.146 176.094 0.081 0.000 1.166 220 V CA -2.947 59.165 62.300 -0.313 0.000 0.974 220 V CB 1.702 33.105 31.823 -0.699 0.000 1.040 220 V HN -0.226 nan 8.190 nan 0.000 0.428 221 P HA -0.061 nan 4.420 nan 0.000 0.270 221 P C 0.849 178.329 177.300 0.301 0.000 1.167 221 P CA 0.269 63.578 63.100 0.347 0.000 0.759 221 P CB 0.312 32.298 31.700 0.477 0.000 0.777 222 L N 2.529 123.879 121.223 0.212 0.000 2.351 222 L HA -0.214 4.126 4.340 -0.000 0.000 0.220 222 L C 1.630 178.680 176.870 0.300 0.000 1.127 222 L CA 2.077 56.996 54.840 0.130 0.000 0.786 222 L CB -1.305 40.792 42.059 0.064 0.000 0.914 222 L HN 0.473 nan 8.230 nan 0.000 0.443 223 D N -1.532 119.108 120.400 0.400 0.000 2.249 223 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 223 D C 1.924 178.394 176.300 0.283 0.000 0.962 223 D CA 1.198 55.411 54.000 0.355 0.000 0.860 223 D CB -0.301 40.690 40.800 0.318 0.000 0.955 223 D HN 0.467 nan 8.370 nan 0.000 0.505 224 I N -0.336 120.414 120.570 0.300 0.000 3.039 224 I HA 0.028 4.198 4.170 -0.000 0.000 0.270 224 I C 2.087 178.427 176.117 0.371 0.000 1.150 224 I CA 0.167 61.675 61.300 0.346 0.000 1.448 224 I CB -0.893 37.362 38.000 0.425 0.000 1.197 224 I HN 0.136 nan 8.210 nan 0.000 0.450 225 C N 1.772 121.190 119.300 0.198 0.000 2.403 225 C HA -0.196 4.263 4.460 -0.000 0.000 0.282 225 C C 2.334 177.443 174.990 0.199 0.000 1.200 225 C CA 1.483 60.585 59.018 0.140 0.000 1.846 225 C CB -2.738 25.074 27.740 0.121 0.000 2.115 225 C HN 0.758 nan 8.230 nan 0.000 0.497 226 T N -3.083 111.585 114.554 0.190 0.000 3.215 226 T HA 0.506 4.856 4.350 -0.000 0.000 0.271 226 T C 0.175 174.948 174.700 0.122 0.000 1.012 226 T CA 0.178 62.359 62.100 0.135 0.000 0.899 226 T CB -0.048 68.879 68.868 0.098 0.000 1.089 226 T HN 0.601 nan 8.240 nan 0.000 0.552 227 S N 0.533 116.332 115.700 0.165 0.000 2.720 227 S HA 0.788 5.258 4.470 -0.000 0.000 0.287 227 S C -1.403 173.191 174.600 -0.011 0.000 1.168 227 S CA -0.905 57.349 58.200 0.089 0.000 0.832 227 S CB 1.062 64.335 63.200 0.121 0.000 1.166 227 S HN 0.198 nan 8.310 nan 0.000 0.493 228 I N 0.789 121.288 120.570 -0.118 0.000 2.441 228 I HA 0.454 4.624 4.170 -0.000 0.000 0.295 228 I C -0.719 175.244 176.117 -0.256 0.000 0.994 228 I CA -0.504 60.617 61.300 -0.299 0.000 1.144 228 I CB 1.099 38.861 38.000 -0.397 0.000 1.314 228 I HN 0.566 nan 8.210 nan 0.000 0.445 229 C N 5.313 124.419 119.300 -0.323 0.000 2.293 229 C HA 0.416 4.876 4.460 -0.000 0.000 0.323 229 C C 0.170 175.131 174.990 -0.048 0.000 1.240 229 C CA -0.873 58.072 59.018 -0.122 0.000 1.497 229 C CB -0.057 27.621 27.740 -0.103 0.000 2.171 229 C HN 0.613 nan 8.230 nan 0.000 0.465 230 K N 3.413 123.817 120.400 0.007 0.000 2.334 230 K HA 0.281 4.601 4.320 -0.000 0.000 0.265 230 K C -1.134 175.539 176.600 0.121 0.000 1.039 230 K CA -0.351 55.923 56.287 -0.020 0.000 0.920 230 K CB 1.105 33.466 32.500 -0.231 0.000 1.160 230 K HN 0.670 nan 8.250 nan 0.000 0.451 231 Y N 4.934 125.226 120.300 -0.013 0.000 2.320 231 Y HA 0.259 4.809 4.550 -0.000 0.000 0.334 231 Y C -2.376 173.422 175.900 -0.170 0.000 1.055 231 Y CA -2.611 55.483 58.100 -0.010 0.000 1.143 231 Y CB 0.957 39.408 38.460 -0.014 0.000 1.193 231 Y HN 0.473 nan 8.280 nan 0.000 0.477 232 P HA -0.096 nan 4.420 nan 0.000 0.260 232 P C -0.731 175.940 177.300 -1.048 0.000 1.172 232 P CA 0.559 63.061 63.100 -0.996 0.000 0.760 232 P CB 0.394 31.426 31.700 -1.114 0.000 0.773 233 D N 3.034 123.107 120.400 -0.545 0.000 2.619 233 D HA 0.032 4.672 4.640 -0.000 0.000 0.224 233 D C 0.780 176.923 176.300 -0.263 0.000 1.133 233 D CA -0.137 53.660 54.000 -0.338 0.000 1.017 233 D CB -0.606 40.080 40.800 -0.191 0.000 1.077 233 D HN 0.354 nan 8.370 nan 0.000 0.503 234 Y N 1.367 121.511 120.300 -0.260 0.000 2.030 234 Y HA -0.302 4.248 4.550 -0.000 0.000 0.274 234 Y C 2.378 178.171 175.900 -0.179 0.000 1.153 234 Y CA 0.283 58.204 58.100 -0.299 0.000 1.115 234 Y CB -0.119 38.143 38.460 -0.330 0.000 0.969 234 Y HN 0.292 nan 8.280 nan 0.000 0.488 235 I N 0.611 121.231 120.570 0.083 0.000 2.181 235 I HA -0.397 3.773 4.170 -0.000 0.000 0.247 235 I C 2.298 178.424 176.117 0.015 0.000 1.081 235 I CA 1.902 63.230 61.300 0.047 0.000 1.340 235 I CB -1.028 37.001 38.000 0.048 0.000 1.036 235 I HN 0.348 nan 8.210 nan 0.000 0.417 236 K N 0.163 120.554 120.400 -0.014 0.000 2.076 236 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 236 K C 2.279 178.865 176.600 -0.024 0.000 1.051 236 K CA 0.784 57.055 56.287 -0.027 0.000 0.949 236 K CB 0.112 32.580 32.500 -0.054 0.000 0.726 236 K HN 0.180 nan 8.250 nan 0.000 0.443 237 M N 0.531 120.107 119.600 -0.041 0.000 2.132 237 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 237 M C 2.155 178.451 176.300 -0.007 0.000 1.065 237 M CA 1.166 56.445 55.300 -0.036 0.000 1.122 237 M CB -0.192 32.369 32.600 -0.066 0.000 1.365 237 M HN -0.035 nan 8.290 nan 0.000 0.411 238 V N 0.024 119.932 119.914 -0.009 0.000 2.332 238 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 238 V C 2.220 178.344 176.094 0.051 0.000 1.055 238 V CA 2.070 64.386 62.300 0.027 0.000 1.038 238 V CB -0.937 30.898 31.823 0.021 0.000 0.651 238 V HN 0.444 nan 8.190 nan 0.000 0.450 239 S N -0.539 115.184 115.700 0.037 0.000 2.537 239 S HA -0.120 4.350 4.470 -0.000 0.000 0.240 239 S C 0.903 175.527 174.600 0.039 0.000 0.981 239 S CA 0.562 58.785 58.200 0.038 0.000 0.948 239 S CB -0.483 62.731 63.200 0.023 0.000 0.759 239 S HN 0.805 nan 8.310 nan 0.000 0.531 240 E N 2.986 123.213 120.200 0.045 0.000 2.376 240 E HA 0.054 4.404 4.350 -0.000 0.000 0.266 240 E C -1.041 175.602 176.600 0.071 0.000 1.009 240 E CA -1.504 54.928 56.400 0.053 0.000 0.902 240 E CB 0.562 30.295 29.700 0.055 0.000 0.972 240 E HN 0.033 nan 8.360 nan 0.000 0.439 241 P HA -0.231 nan 4.420 nan 0.000 0.210 241 P C 0.636 177.904 177.300 -0.054 0.000 1.189 241 P CA 1.550 64.608 63.100 -0.070 0.000 0.920 241 P CB -0.285 31.280 31.700 -0.225 0.000 0.782 242 Y N 0.137 120.467 120.300 0.050 0.000 2.738 242 Y HA 0.021 4.571 4.550 -0.000 0.000 0.293 242 Y C 2.159 178.192 175.900 0.222 0.000 1.156 242 Y CA 1.010 59.177 58.100 0.112 0.000 1.410 242 Y CB -1.548 36.955 38.460 0.071 0.000 0.966 242 Y HN 0.179 nan 8.280 nan 0.000 0.568 243 G N 0.267 109.242 108.800 0.292 0.000 2.291 243 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.287 243 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.287 243 G C 0.801 175.832 174.900 0.218 0.000 0.998 243 G CA 0.939 46.194 45.100 0.259 0.000 0.728 243 G HN 0.416 nan 8.290 nan 0.000 0.519 244 D N 0.129 120.667 120.400 0.229 0.000 2.265 244 D HA -0.005 4.635 4.640 -0.000 0.000 0.208 244 D C 2.521 178.805 176.300 -0.025 0.000 0.977 244 D CA 1.309 55.402 54.000 0.154 0.000 0.871 244 D CB -0.070 40.836 40.800 0.176 0.000 0.925 244 D HN 0.446 nan 8.370 nan 0.000 0.485 245 S N -0.319 115.369 115.700 -0.020 0.000 2.349 245 S HA -0.016 4.454 4.470 -0.000 0.000 0.216 245 S C 0.988 175.479 174.600 -0.181 0.000 1.033 245 S CA 0.666 58.827 58.200 -0.064 0.000 1.021 245 S CB -0.117 63.059 63.200 -0.040 0.000 0.968 245 S HN 0.397 nan 8.310 nan 0.000 0.426 246 L N -1.130 119.983 121.223 -0.182 0.000 2.505 246 L HA 0.582 4.922 4.340 -0.000 0.000 0.266 246 L C -0.302 176.528 176.870 -0.066 0.000 0.954 246 L CA -0.903 53.797 54.840 -0.234 0.000 0.852 246 L CB 1.350 43.364 42.059 -0.076 0.000 1.282 246 L HN 0.218 nan 8.230 nan 0.000 0.403 247 F N 1.893 121.962 119.950 0.199 0.000 2.637 247 F HA 0.501 5.028 4.527 -0.000 0.000 0.284 247 F C 0.006 175.966 175.800 0.266 0.000 1.105 247 F CA -0.808 57.313 58.000 0.203 0.000 1.356 247 F CB -0.341 38.762 39.000 0.172 0.000 1.096 247 F HN 0.327 nan 8.300 nan 0.000 0.616 248 F N 2.314 122.638 119.950 0.624 0.000 2.507 248 F HA 0.613 5.140 4.527 -0.000 0.000 0.325 248 F C -1.258 174.659 175.800 0.195 0.000 1.116 248 F CA -2.095 56.063 58.000 0.263 0.000 0.930 248 F CB 1.577 40.688 39.000 0.185 0.000 1.146 248 F HN 0.075 nan 8.300 nan 0.000 0.447 249 Y N 5.729 125.520 120.300 -0.848 0.000 2.424 249 Y HA 0.655 5.205 4.550 -0.000 0.000 0.323 249 Y C -2.628 172.793 175.900 -0.797 0.000 1.174 249 Y CA -1.876 55.804 58.100 -0.700 0.000 1.060 249 Y CB 0.475 38.733 38.460 -0.337 0.000 1.314 249 Y HN 0.453 nan 8.280 nan 0.000 0.439 250 L N 3.932 124.713 121.223 -0.736 0.000 2.381 250 L HA 0.824 5.164 4.340 -0.000 0.000 0.268 250 L C -0.539 176.181 176.870 -0.249 0.000 0.997 250 L CA -1.544 52.950 54.840 -0.577 0.000 0.818 250 L CB 2.069 43.783 42.059 -0.574 0.000 1.310 250 L HN 0.844 nan 8.230 nan 0.000 0.416 251 R N 0.738 121.146 120.500 -0.154 0.000 2.750 251 R HA 0.942 5.282 4.340 -0.000 0.000 0.281 251 R C -0.889 175.412 176.300 0.001 0.000 0.972 251 R CA -0.983 55.127 56.100 0.017 0.000 0.912 251 R CB 2.241 32.617 30.300 0.127 0.000 1.187 251 R HN 0.624 nan 8.270 nan 0.000 0.464 252 R N 1.343 121.875 120.500 0.054 0.000 2.605 252 R HA 0.154 4.494 4.340 -0.000 0.000 0.291 252 R C -1.583 174.767 176.300 0.085 0.000 1.226 252 R CA -0.331 55.796 56.100 0.044 0.000 0.981 252 R CB 1.452 31.758 30.300 0.009 0.000 1.215 252 R HN 0.936 nan 8.270 nan 0.000 0.428 253 E N 3.298 123.557 120.200 0.098 0.000 2.288 253 E HA 0.473 4.823 4.350 -0.000 0.000 0.268 253 E C -1.432 175.215 176.600 0.079 0.000 0.885 253 E CA -1.100 55.362 56.400 0.103 0.000 0.767 253 E CB 2.682 32.464 29.700 0.136 0.000 1.220 253 E HN 0.490 nan 8.360 nan 0.000 0.427 254 Q N 2.654 122.500 119.800 0.077 0.000 2.443 254 Q HA 0.485 4.825 4.340 -0.000 0.000 0.258 254 Q C -1.520 174.541 176.000 0.103 0.000 0.967 254 Q CA -0.839 55.010 55.803 0.076 0.000 0.951 254 Q CB 1.910 30.684 28.738 0.061 0.000 1.459 254 Q HN 0.664 nan 8.270 nan 0.000 0.415 255 M N 3.566 123.242 119.600 0.128 0.000 2.682 255 M HA 0.785 5.265 4.480 -0.000 0.000 0.272 255 M C -2.101 174.376 176.300 0.295 0.000 1.232 255 M CA -0.553 54.846 55.300 0.164 0.000 0.849 255 M CB 2.406 35.042 32.600 0.062 0.000 1.695 255 M HN 1.021 nan 8.290 nan 0.000 0.481 256 F N 0.404 120.331 119.950 -0.038 0.000 2.817 256 F HA 0.702 5.229 4.527 -0.000 0.000 0.317 256 F C -1.473 174.288 175.800 -0.064 0.000 1.168 256 F CA -1.173 56.799 58.000 -0.046 0.000 0.911 256 F CB 0.539 39.513 39.000 -0.043 0.000 1.337 256 F HN 0.408 nan 8.300 nan 0.000 0.464 257 V N 1.389 121.266 119.914 -0.061 0.000 2.439 257 V HA 0.437 4.557 4.120 -0.000 0.000 0.271 257 V C 0.875 176.707 176.094 -0.436 0.000 1.040 257 V CA -0.070 62.094 62.300 -0.226 0.000 1.002 257 V CB 0.686 32.473 31.823 -0.060 0.000 1.000 257 V HN 1.070 nan 8.190 nan 0.000 0.477 258 R N 3.497 123.645 120.500 -0.588 0.000 2.057 258 R HA 0.200 4.540 4.340 -0.000 0.000 0.224 258 R C 0.541 176.592 176.300 -0.415 0.000 1.136 258 R CA 1.244 57.034 56.100 -0.517 0.000 0.968 258 R CB -0.076 29.973 30.300 -0.419 0.000 0.863 258 R HN 0.896 nan 8.270 nan 0.000 0.433 259 H N -2.263 116.563 119.070 -0.406 0.000 2.908 259 H HA 0.552 5.108 4.556 -0.000 0.000 0.350 259 H C -1.542 173.416 175.328 -0.616 0.000 1.217 259 H CA -0.770 54.980 56.048 -0.497 0.000 1.168 259 H CB 1.582 30.904 29.762 -0.734 0.000 1.891 259 H HN -0.066 nan 8.280 nan 0.000 0.566 260 L N 1.619 122.599 121.223 -0.406 0.000 2.376 260 L HA 0.412 4.752 4.340 -0.000 0.000 0.275 260 L C -1.043 175.719 176.870 -0.181 0.000 0.987 260 L CA -0.031 54.605 54.840 -0.340 0.000 0.828 260 L CB 0.885 42.859 42.059 -0.141 0.000 1.249 260 L HN 0.447 nan 8.230 nan 0.000 0.409 261 F N 0.639 120.363 119.950 -0.376 0.000 2.671 261 F HA 0.534 5.061 4.527 -0.000 0.000 0.373 261 F C 0.134 175.766 175.800 -0.281 0.000 1.122 261 F CA -1.169 56.559 58.000 -0.453 0.000 1.082 261 F CB 2.078 40.511 39.000 -0.945 0.000 1.399 261 F HN 0.457 nan 8.300 nan 0.000 0.509 262 N N 0.264 119.011 118.700 0.079 0.000 2.478 262 N HA 0.200 4.940 4.740 -0.000 0.000 0.291 262 N C -1.552 174.059 175.510 0.169 0.000 1.090 262 N CA -0.773 52.327 53.050 0.084 0.000 0.911 262 N CB 1.163 39.659 38.487 0.015 0.000 1.546 262 N HN 0.349 nan 8.380 nan 0.000 0.500 263 R N 1.972 122.592 120.500 0.198 0.000 2.267 263 R HA 0.370 4.710 4.340 -0.000 0.000 0.319 263 R C -0.065 176.245 176.300 0.016 0.000 1.067 263 R CA -0.130 56.052 56.100 0.137 0.000 0.936 263 R CB 0.607 30.946 30.300 0.065 0.000 1.006 263 R HN 0.580 nan 8.270 nan 0.000 0.452 264 A N 1.592 124.405 122.820 -0.011 0.000 2.246 264 A HA 0.757 5.077 4.320 -0.000 0.000 0.291 264 A C 0.610 178.169 177.584 -0.042 0.000 1.103 264 A CA 0.394 52.412 52.037 -0.032 0.000 0.844 264 A CB 0.376 19.349 19.000 -0.044 0.000 1.136 264 A HN 0.820 nan 8.150 nan 0.000 0.500 265 G N -1.270 107.507 108.800 -0.039 0.000 2.549 265 G HA2 0.302 4.262 3.960 -0.000 0.000 0.404 265 G HA3 0.302 4.262 3.960 -0.000 0.000 0.404 265 G C 0.033 174.914 174.900 -0.031 0.000 1.292 265 G CA 0.151 45.228 45.100 -0.038 0.000 0.935 265 G HN 2.207 nan 8.290 nan 0.000 0.512 266 T N -1.321 113.216 114.554 -0.029 0.000 2.814 266 T HA 0.512 4.862 4.350 -0.000 0.000 0.297 266 T C 0.804 175.491 174.700 -0.021 0.000 0.956 266 T CA 0.076 62.162 62.100 -0.022 0.000 1.123 266 T CB 1.235 70.091 68.868 -0.020 0.000 0.902 266 T HN 1.716 nan 8.240 nan 0.000 0.528 267 V N 4.737 124.641 119.914 -0.017 0.000 2.703 267 V HA 0.042 4.162 4.120 -0.000 0.000 0.300 267 V C 1.744 177.832 176.094 -0.011 0.000 1.063 267 V CA 1.164 63.456 62.300 -0.014 0.000 1.240 267 V CB -0.738 31.081 31.823 -0.006 0.000 0.845 267 V HN 1.207 nan 8.190 nan 0.000 0.476 268 G N 4.545 113.337 108.800 -0.013 0.000 2.437 268 G HA2 0.049 4.009 3.960 -0.000 0.000 0.212 268 G HA3 0.049 4.009 3.960 -0.000 0.000 0.212 268 G C 0.428 175.326 174.900 -0.003 0.000 1.174 268 G CA 0.041 45.135 45.100 -0.010 0.000 0.811 268 G HN 0.663 nan 8.290 nan 0.000 0.537 269 E N -0.262 119.938 120.200 0.000 0.000 2.288 269 E HA 0.406 4.756 4.350 -0.000 0.000 0.268 269 E C -1.383 175.226 176.600 0.015 0.000 0.885 269 E CA -0.699 55.706 56.400 0.008 0.000 0.767 269 E CB 1.762 31.466 29.700 0.007 0.000 1.220 269 E HN 0.083 nan 8.360 nan 0.000 0.427 270 N N 0.004 118.719 118.700 0.026 0.000 2.492 270 N HA 0.277 5.017 4.740 -0.000 0.000 0.289 270 N C -1.052 174.496 175.510 0.063 0.000 1.133 270 N CA -0.488 52.586 53.050 0.041 0.000 0.961 270 N CB 1.363 39.879 38.487 0.048 0.000 1.186 270 N HN 0.083 nan 8.380 nan 0.000 0.493 271 V N 2.965 122.930 119.914 0.085 0.000 2.655 271 V HA 0.192 4.312 4.120 -0.000 0.000 0.300 271 V C -1.867 174.341 176.094 0.189 0.000 1.044 271 V CA -0.893 61.486 62.300 0.132 0.000 1.095 271 V CB 0.598 32.507 31.823 0.144 0.000 0.952 271 V HN 0.697 nan 8.190 nan 0.000 0.485 272 P HA 0.259 nan 4.420 nan 0.000 0.282 272 P C -0.465 176.872 177.300 0.060 0.000 1.249 272 P CA -0.594 62.560 63.100 0.090 0.000 0.806 272 P CB 0.500 32.228 31.700 0.047 0.000 0.984 273 D N 0.270 120.619 120.400 -0.086 0.000 2.400 273 D HA -0.055 4.585 4.640 -0.000 0.000 0.243 273 D C 0.062 176.120 176.300 -0.403 0.000 1.184 273 D CA 0.235 53.988 54.000 -0.411 0.000 0.853 273 D CB -0.749 39.878 40.800 -0.287 0.000 0.944 273 D HN 0.430 nan 8.370 nan 0.000 0.501 274 D N -0.693 119.579 120.400 -0.213 0.000 2.516 274 D HA -0.021 4.619 4.640 -0.000 0.000 0.241 274 D C 1.541 177.812 176.300 -0.050 0.000 1.246 274 D CA -0.272 53.649 54.000 -0.132 0.000 0.808 274 D CB -0.264 40.494 40.800 -0.069 0.000 1.147 274 D HN 0.193 nan 8.370 nan 0.000 0.527 275 L N 0.285 121.518 121.223 0.016 0.000 2.552 275 L HA 0.086 4.426 4.340 -0.000 0.000 0.227 275 L C 0.615 177.656 176.870 0.284 0.000 1.146 275 L CA 0.829 55.772 54.840 0.171 0.000 0.858 275 L CB -0.639 41.568 42.059 0.248 0.000 0.969 275 L HN 0.211 nan 8.230 nan 0.000 0.451 276 Y N -2.464 117.853 120.300 0.027 0.000 2.940 276 Y HA 0.630 5.180 4.550 -0.000 0.000 0.310 276 Y C -1.010 174.904 175.900 0.024 0.000 1.629 276 Y CA -1.770 56.348 58.100 0.030 0.000 1.094 276 Y CB 0.962 39.446 38.460 0.039 0.000 2.429 276 Y HN -0.287 nan 8.280 nan 0.000 0.392 277 I N 1.283 122.092 120.570 0.398 0.000 2.722 277 I HA 0.350 4.520 4.170 -0.000 0.000 0.295 277 I C -0.819 175.496 176.117 0.331 0.000 1.161 277 I CA -1.489 59.917 61.300 0.177 0.000 1.032 277 I CB 1.985 40.045 38.000 0.099 0.000 1.244 277 I HN 0.420 nan 8.210 nan 0.000 0.421 278 K N 2.393 122.915 120.400 0.203 0.000 2.393 278 K HA 0.143 4.463 4.320 -0.000 0.000 0.264 278 K C 0.435 177.099 176.600 0.105 0.000 0.979 278 K CA 0.241 56.632 56.287 0.173 0.000 0.893 278 K CB 0.417 32.962 32.500 0.074 0.000 0.967 278 K HN 0.943 nan 8.250 nan 0.000 0.521 279 G N -0.712 108.118 108.800 0.051 0.000 3.122 279 G HA2 0.444 4.404 3.960 -0.000 0.000 0.180 279 G HA3 0.444 4.404 3.960 -0.000 0.000 0.180 279 G C -1.080 173.812 174.900 -0.013 0.000 1.279 279 G CA -0.308 44.795 45.100 0.006 0.000 0.987 279 G HN 0.541 nan 8.290 nan 0.000 0.589 280 S N -1.236 114.441 115.700 -0.039 0.000 2.776 280 S HA 0.590 5.060 4.470 -0.000 0.000 0.284 280 S C 0.629 175.191 174.600 -0.063 0.000 1.160 280 S CA 0.697 58.876 58.200 -0.035 0.000 1.051 280 S CB 0.991 64.179 63.200 -0.020 0.000 1.037 280 S HN 2.571 nan 8.310 nan 0.000 0.485 281 G N 4.540 113.302 108.800 -0.064 0.000 2.602 281 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.310 281 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.310 281 G C 1.310 176.139 174.900 -0.119 0.000 1.183 281 G CA 1.532 46.591 45.100 -0.068 0.000 0.979 281 G HN 2.005 nan 8.290 nan 0.000 0.545 282 S N -0.177 115.447 115.700 -0.128 0.000 2.369 282 S HA -0.232 4.238 4.470 -0.000 0.000 0.225 282 S C 2.442 176.770 174.600 -0.454 0.000 1.043 282 S CA 3.933 62.006 58.200 -0.211 0.000 1.074 282 S CB -1.527 61.601 63.200 -0.120 0.000 0.962 282 S HN 2.197 nan 8.310 nan 0.000 0.433 283 T N -0.664 113.676 114.554 -0.356 0.000 3.118 283 T HA 0.457 4.807 4.350 -0.000 0.000 0.260 283 T C 1.524 176.066 174.700 -0.263 0.000 1.139 283 T CA 0.547 62.397 62.100 -0.418 0.000 1.085 283 T CB -0.309 68.486 68.868 -0.122 0.000 0.934 283 T HN 0.537 nan 8.240 nan 0.000 0.518 284 A N 1.033 123.736 122.820 -0.195 0.000 2.208 284 A HA 0.307 4.627 4.320 -0.000 0.000 0.209 284 A C 0.959 178.478 177.584 -0.109 0.000 1.161 284 A CA -0.079 51.894 52.037 -0.107 0.000 0.782 284 A CB -0.385 18.577 19.000 -0.064 0.000 0.816 284 A HN 0.484 nan 8.150 nan 0.000 0.477 285 N N 0.139 118.723 118.700 -0.193 0.000 2.573 285 N HA 0.442 5.182 4.740 -0.000 0.000 0.262 285 N C -1.154 174.276 175.510 -0.134 0.000 1.029 285 N CA -0.500 52.473 53.050 -0.127 0.000 0.882 285 N CB 0.490 38.916 38.487 -0.101 0.000 1.204 285 N HN 0.024 nan 8.380 nan 0.000 0.519 286 L N 2.004 123.194 121.223 -0.055 0.000 2.559 286 L HA 0.220 4.560 4.340 -0.000 0.000 0.282 286 L C 0.646 177.561 176.870 0.076 0.000 1.232 286 L CA 0.507 55.352 54.840 0.010 0.000 0.885 286 L CB -0.078 41.952 42.059 -0.048 0.000 1.131 286 L HN 0.602 nan 8.230 nan 0.000 0.498 287 A N 2.688 125.620 122.820 0.185 0.000 2.299 287 A HA 0.515 4.835 4.320 -0.000 0.000 0.332 287 A C 0.314 177.907 177.584 0.015 0.000 1.131 287 A CA -0.557 51.565 52.037 0.142 0.000 0.844 287 A CB 0.785 19.925 19.000 0.234 0.000 1.251 287 A HN 0.603 nan 8.150 nan 0.000 0.486 288 S N 0.612 116.295 115.700 -0.028 0.000 3.452 288 S HA -0.052 4.418 4.470 -0.000 0.000 0.410 288 S C 1.320 175.789 174.600 -0.219 0.000 1.076 288 S CA 0.788 58.932 58.200 -0.094 0.000 1.538 288 S CB -0.479 62.677 63.200 -0.073 0.000 1.006 288 S HN 0.907 nan 8.310 nan 0.000 0.576 289 S N 3.891 119.461 115.700 -0.216 0.000 2.720 289 S HA 0.102 4.572 4.470 -0.000 0.000 0.222 289 S C 0.476 174.744 174.600 -0.554 0.000 0.958 289 S CA -0.128 57.867 58.200 -0.341 0.000 0.943 289 S CB -0.461 62.666 63.200 -0.122 0.000 0.779 289 S HN 0.790 nan 8.310 nan 0.000 0.526 290 N N 1.828 120.279 118.700 -0.415 0.000 3.234 290 N HA 0.212 4.952 4.740 -0.000 0.000 0.272 290 N C -1.042 174.356 175.510 -0.188 0.000 1.254 290 N CA -0.461 52.463 53.050 -0.210 0.000 1.087 290 N CB 0.369 38.817 38.487 -0.065 0.000 1.356 290 N HN 0.324 nan 8.380 nan 0.000 0.511 291 Y N 1.142 121.492 120.300 0.084 0.000 2.379 291 Y HA 0.127 4.677 4.550 -0.000 0.000 0.354 291 Y C 0.324 176.349 175.900 0.209 0.000 1.269 291 Y CA -0.370 57.784 58.100 0.089 0.000 1.532 291 Y CB 0.099 38.572 38.460 0.022 0.000 1.371 291 Y HN 0.276 nan 8.280 nan 0.000 0.666 292 F N -0.125 119.965 119.950 0.233 0.000 2.655 292 F HA 0.568 5.095 4.527 -0.000 0.000 0.324 292 F C -3.745 172.183 175.800 0.213 0.000 1.081 292 F CA -2.545 55.577 58.000 0.203 0.000 1.088 292 F CB 1.108 40.183 39.000 0.125 0.000 1.327 292 F HN 0.229 nan 8.300 nan 0.000 0.522 293 P HA 0.512 nan 4.420 nan 0.000 0.287 293 P C -1.188 176.176 177.300 0.107 0.000 1.290 293 P CA -0.407 62.643 63.100 -0.083 0.000 0.889 293 P CB 2.534 34.211 31.700 -0.038 0.000 1.190 294 T N -1.287 113.185 114.554 -0.136 0.000 2.902 294 T HA 0.627 4.977 4.350 -0.000 0.000 0.283 294 T C -2.399 172.148 174.700 -0.256 0.000 1.009 294 T CA -2.209 59.845 62.100 -0.077 0.000 1.051 294 T CB 1.241 70.062 68.868 -0.079 0.000 0.999 294 T HN 0.295 nan 8.240 nan 0.000 0.474 295 P HA 0.551 nan 4.420 nan 0.000 0.301 295 P C -0.882 176.202 177.300 -0.361 0.000 1.309 295 P CA -0.909 61.981 63.100 -0.349 0.000 0.782 295 P CB 1.385 32.890 31.700 -0.326 0.000 1.282 296 S N -0.888 114.589 115.700 -0.371 0.000 2.446 296 S HA 0.453 4.923 4.470 -0.000 0.000 0.230 296 S C -0.222 174.346 174.600 -0.054 0.000 1.051 296 S CA -0.627 57.348 58.200 -0.375 0.000 1.113 296 S CB -0.890 61.663 63.200 -1.079 0.000 1.184 296 S HN 0.626 nan 8.310 nan 0.000 0.435 297 G N 3.284 112.101 108.800 0.028 0.000 2.469 297 G HA2 0.349 4.309 3.960 -0.000 0.000 0.293 297 G HA3 0.349 4.309 3.960 -0.000 0.000 0.293 297 G C 0.599 175.583 174.900 0.139 0.000 0.982 297 G CA 0.335 45.497 45.100 0.103 0.000 1.401 297 G HN 0.836 nan 8.290 nan 0.000 0.453 298 S N 3.268 119.104 115.700 0.226 0.000 2.647 298 S HA 0.135 4.605 4.470 -0.000 0.000 0.251 298 S C 1.210 175.873 174.600 0.106 0.000 1.320 298 S CA -0.513 57.817 58.200 0.217 0.000 0.968 298 S CB 0.143 63.453 63.200 0.183 0.000 1.005 298 S HN 0.616 nan 8.310 nan 0.000 0.576 299 M N 2.747 122.389 119.600 0.069 0.000 2.408 299 M HA 0.123 4.603 4.480 -0.000 0.000 0.363 299 M C -0.276 176.046 176.300 0.036 0.000 1.636 299 M CA -0.349 54.976 55.300 0.042 0.000 1.029 299 M CB -0.172 32.441 32.600 0.023 0.000 2.068 299 M HN 0.546 nan 8.290 nan 0.000 0.466 300 V N 3.353 123.288 119.914 0.036 0.000 2.637 300 V HA 0.427 4.547 4.120 -0.000 0.000 0.296 300 V C -0.030 176.080 176.094 0.027 0.000 1.046 300 V CA -0.210 62.111 62.300 0.036 0.000 1.066 300 V CB 1.087 32.933 31.823 0.039 0.000 0.968 300 V HN 0.886 nan 8.190 nan 0.000 0.483 301 T N 2.826 117.397 114.554 0.027 0.000 2.879 301 T HA 0.341 4.691 4.350 -0.000 0.000 0.290 301 T C 0.884 175.597 174.700 0.021 0.000 0.993 301 T CA 0.295 62.407 62.100 0.019 0.000 0.975 301 T CB 1.766 70.641 68.868 0.011 0.000 0.981 301 T HN 1.057 nan 8.240 nan 0.000 0.439 302 S N 3.121 118.832 115.700 0.018 0.000 2.383 302 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 302 S C 1.054 175.663 174.600 0.014 0.000 1.030 302 S CA 1.929 60.141 58.200 0.019 0.000 1.002 302 S CB -0.512 62.696 63.200 0.013 0.000 0.829 302 S HN 0.855 nan 8.310 nan 0.000 0.467 303 D N 0.699 121.103 120.400 0.008 0.000 2.387 303 D HA 0.220 4.860 4.640 -0.000 0.000 0.257 303 D C 0.746 177.046 176.300 -0.000 0.000 1.198 303 D CA 0.716 54.717 54.000 0.002 0.000 0.945 303 D CB -0.052 40.747 40.800 -0.002 0.000 0.907 303 D HN 0.406 nan 8.370 nan 0.000 0.518 304 A N -0.515 122.309 122.820 0.006 0.000 2.701 304 A HA 0.053 4.373 4.320 -0.000 0.000 0.241 304 A C 0.629 178.213 177.584 0.001 0.000 1.231 304 A CA -0.387 51.651 52.037 0.001 0.000 1.003 304 A CB 0.454 19.459 19.000 0.009 0.000 1.281 304 A HN -0.043 nan 8.150 nan 0.000 0.600 305 Q N 0.154 119.963 119.800 0.015 0.000 2.361 305 Q HA 0.157 4.497 4.340 -0.000 0.000 0.276 305 Q C 0.628 176.603 176.000 -0.042 0.000 1.022 305 Q CA 0.146 55.969 55.803 0.034 0.000 0.898 305 Q CB 0.899 29.674 28.738 0.062 0.000 1.246 305 Q HN 0.351 nan 8.270 nan 0.000 0.410 306 I N 1.145 121.619 120.570 -0.160 0.000 3.790 306 I HA 0.075 4.245 4.170 -0.000 0.000 0.305 306 I C 0.528 176.393 176.117 -0.419 0.000 1.253 306 I CA 0.367 61.441 61.300 -0.377 0.000 1.355 306 I CB -0.159 37.428 38.000 -0.689 0.000 1.137 306 I HN 0.381 nan 8.210 nan 0.000 0.435 307 F N 0.837 120.855 119.950 0.114 0.000 2.364 307 F HA 0.307 4.834 4.527 -0.000 0.000 0.316 307 F C 1.543 177.331 175.800 -0.020 0.000 1.133 307 F CA -0.426 57.630 58.000 0.093 0.000 1.051 307 F CB -0.057 38.986 39.000 0.071 0.000 1.342 307 F HN -0.078 nan 8.300 nan 0.000 0.507 308 N N -0.872 117.872 118.700 0.073 0.000 2.936 308 N HA -0.245 4.495 4.740 -0.000 0.000 0.236 308 N C -0.517 174.912 175.510 -0.136 0.000 0.930 308 N CA 0.991 54.010 53.050 -0.051 0.000 0.966 308 N CB -0.746 37.737 38.487 -0.007 0.000 1.090 308 N HN 0.520 nan 8.380 nan 0.000 0.592 309 K N 0.664 120.952 120.400 -0.187 0.000 2.182 309 K HA 0.421 4.741 4.320 -0.000 0.000 0.262 309 K C -2.676 173.576 176.600 -0.580 0.000 0.957 309 K CA -1.974 54.169 56.287 -0.240 0.000 0.842 309 K CB 1.745 34.205 32.500 -0.068 0.000 1.099 309 K HN -0.101 nan 8.250 nan 0.000 0.438 310 P HA 0.166 nan 4.420 nan 0.000 0.286 310 P C -1.481 175.207 177.300 -1.021 0.000 1.261 310 P CA -0.346 62.142 63.100 -1.020 0.000 0.821 310 P CB 0.617 31.742 31.700 -0.959 0.000 1.013 311 Y N 0.474 120.263 120.300 -0.853 0.000 2.334 311 Y HA 0.329 4.879 4.550 -0.000 0.000 0.336 311 Y C 0.078 175.417 175.900 -0.936 0.000 0.960 311 Y CA -0.985 56.614 58.100 -0.835 0.000 1.164 311 Y CB 1.175 39.100 38.460 -0.890 0.000 1.155 311 Y HN 0.313 nan 8.280 nan 0.000 0.478 312 W N 5.452 126.571 121.300 -0.301 0.000 2.387 312 W HA 0.393 5.053 4.660 -0.000 0.000 0.310 312 W C -0.216 176.091 176.519 -0.353 0.000 1.181 312 W CA -0.741 56.413 57.345 -0.320 0.000 1.333 312 W CB 0.781 30.127 29.460 -0.191 0.000 1.286 312 W HN 0.512 nan 8.180 nan 0.000 0.455 313 L N 4.629 125.773 121.223 -0.131 0.000 2.928 313 L HA 0.042 4.382 4.340 -0.000 0.000 0.236 313 L C 2.139 178.934 176.870 -0.126 0.000 1.290 313 L CA -0.099 54.614 54.840 -0.212 0.000 1.099 313 L CB -0.642 41.219 42.059 -0.330 0.000 1.437 313 L HN 0.594 nan 8.230 nan 0.000 0.493 314 Q N 0.213 119.977 119.800 -0.060 0.000 2.181 314 Q HA -0.122 4.218 4.340 -0.000 0.000 0.205 314 Q C 0.950 176.926 176.000 -0.040 0.000 0.980 314 Q CA 1.105 56.876 55.803 -0.054 0.000 0.862 314 Q CB 0.097 28.808 28.738 -0.045 0.000 0.905 314 Q HN 0.498 nan 8.270 nan 0.000 0.429 315 R N -0.614 119.872 120.500 -0.023 0.000 2.912 315 R HA 0.771 5.111 4.340 -0.000 0.000 0.262 315 R C -1.795 174.513 176.300 0.013 0.000 1.057 315 R CA -0.004 56.092 56.100 -0.007 0.000 0.981 315 R CB 2.441 32.745 30.300 0.007 0.000 1.201 315 R HN 0.232 nan 8.270 nan 0.000 0.484 316 A N 0.937 123.776 122.820 0.032 0.000 2.532 316 A HA 0.204 4.524 4.320 -0.000 0.000 0.296 316 A C -0.707 176.924 177.584 0.077 0.000 1.058 316 A CA -0.772 51.316 52.037 0.086 0.000 0.729 316 A CB 1.663 20.725 19.000 0.102 0.000 1.285 316 A HN 0.747 nan 8.150 nan 0.000 0.396 317 Q N 1.284 121.137 119.800 0.088 0.000 2.436 317 Q HA 0.278 4.618 4.340 -0.000 0.000 0.209 317 Q C 0.815 176.828 176.000 0.023 0.000 0.965 317 Q CA 1.113 56.941 55.803 0.041 0.000 0.910 317 Q CB -0.201 28.568 28.738 0.052 0.000 0.980 317 Q HN 0.968 nan 8.270 nan 0.000 0.491 318 G N -0.912 107.947 108.800 0.099 0.000 2.412 318 G HA2 0.341 4.301 3.960 -0.000 0.000 0.318 318 G HA3 0.341 4.301 3.960 -0.000 0.000 0.318 318 G C -0.662 174.319 174.900 0.135 0.000 1.146 318 G CA -0.573 44.612 45.100 0.141 0.000 0.882 318 G HN 0.201 nan 8.290 nan 0.000 0.501 319 H N 0.160 119.352 119.070 0.203 0.000 2.293 319 H HA -0.072 4.484 4.556 -0.000 0.000 0.300 319 H C 1.713 177.208 175.328 0.278 0.000 1.082 319 H CA 1.350 57.538 56.048 0.234 0.000 1.308 319 H CB 0.032 29.957 29.762 0.273 0.000 1.375 319 H HN 0.460 nan 8.280 nan 0.000 0.495 320 N N 0.896 119.884 118.700 0.479 0.000 2.441 320 N HA -0.105 4.635 4.740 -0.000 0.000 0.251 320 N C 0.215 175.913 175.510 0.314 0.000 1.242 320 N CA 0.347 53.638 53.050 0.403 0.000 0.898 320 N CB 0.603 39.363 38.487 0.455 0.000 1.100 320 N HN 0.278 nan 8.380 nan 0.000 0.443 321 N N 0.594 119.379 118.700 0.141 0.000 2.143 321 N HA 0.252 4.992 4.740 -0.000 0.000 0.222 321 N C -0.342 175.044 175.510 -0.206 0.000 1.264 321 N CA 0.327 53.373 53.050 -0.007 0.000 0.897 321 N CB 0.502 38.976 38.487 -0.021 0.000 1.092 321 N HN 0.698 nan 8.380 nan 0.000 0.516 322 G N 0.638 109.331 108.800 -0.177 0.000 2.828 322 G HA2 0.031 3.991 3.960 -0.000 0.000 0.226 322 G HA3 0.031 3.991 3.960 -0.000 0.000 0.226 322 G C -0.912 173.891 174.900 -0.160 0.000 1.090 322 G CA -0.563 44.353 45.100 -0.306 0.000 1.035 322 G HN 0.070 nan 8.290 nan 0.000 0.578 323 I N 1.298 121.716 120.570 -0.254 0.000 2.294 323 I HA 0.224 4.394 4.170 -0.000 0.000 0.295 323 I C 0.953 176.772 176.117 -0.496 0.000 1.098 323 I CA -1.200 59.717 61.300 -0.639 0.000 1.277 323 I CB 0.090 37.165 38.000 -1.541 0.000 1.434 323 I HN 0.124 nan 8.210 nan 0.000 0.498 324 C N 6.316 125.517 119.300 -0.164 0.000 3.585 324 C HA 0.038 4.498 4.460 -0.000 0.000 0.575 324 C C 0.884 175.937 174.990 0.106 0.000 1.068 324 C CA -0.865 58.167 59.018 0.023 0.000 1.113 324 C CB -2.299 25.511 27.740 0.118 0.000 1.381 324 C HN 0.626 nan 8.230 nan 0.000 0.635 325 W N 0.672 122.026 121.300 0.090 0.000 2.385 325 W HA 0.337 4.997 4.660 -0.000 0.000 0.336 325 W C 1.360 177.851 176.519 -0.048 0.000 1.351 325 W CA 0.844 58.198 57.345 0.015 0.000 1.295 325 W CB 0.268 29.717 29.460 -0.019 0.000 1.239 325 W HN 0.847 nan 8.180 nan 0.000 0.565 326 G N 2.420 111.341 108.800 0.202 0.000 2.217 326 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.246 326 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.246 326 G C 0.372 175.310 174.900 0.063 0.000 0.990 326 G CA 0.052 45.187 45.100 0.058 0.000 0.627 326 G HN 0.737 nan 8.290 nan 0.000 0.522 327 N N -0.513 118.246 118.700 0.098 0.000 2.776 327 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 327 N C 0.097 175.574 175.510 -0.054 0.000 1.111 327 N CA 1.860 54.937 53.050 0.044 0.000 0.711 327 N CB -1.308 37.212 38.487 0.054 0.000 1.065 327 N HN 0.875 nan 8.380 nan 0.000 0.556 328 Q N -0.004 119.743 119.800 -0.089 0.000 2.306 328 Q HA 0.763 5.103 4.340 -0.000 0.000 0.265 328 Q C -0.452 175.395 176.000 -0.256 0.000 1.022 328 Q CA -0.514 55.141 55.803 -0.247 0.000 0.853 328 Q CB 2.543 31.064 28.738 -0.361 0.000 1.327 328 Q HN 0.248 nan 8.270 nan 0.000 0.449 329 L N 2.344 123.374 121.223 -0.320 0.000 2.455 329 L HA 0.522 4.862 4.340 -0.000 0.000 0.264 329 L C -1.735 175.104 176.870 -0.052 0.000 0.968 329 L CA -0.507 54.261 54.840 -0.121 0.000 0.827 329 L CB 1.663 43.713 42.059 -0.014 0.000 1.317 329 L HN 0.700 nan 8.230 nan 0.000 0.407 330 F N 4.293 124.260 119.950 0.028 0.000 2.382 330 F HA 0.426 4.953 4.527 -0.000 0.000 0.361 330 F C -0.210 175.652 175.800 0.103 0.000 1.109 330 F CA -1.038 56.953 58.000 -0.016 0.000 1.031 330 F CB 1.958 40.867 39.000 -0.152 0.000 1.234 330 F HN 0.061 nan 8.300 nan 0.000 0.445 331 V N 2.762 122.913 119.914 0.395 0.000 2.347 331 V HA 0.337 4.457 4.120 -0.000 0.000 0.280 331 V C -0.157 176.150 176.094 0.354 0.000 1.021 331 V CA -0.617 61.903 62.300 0.367 0.000 0.847 331 V CB 1.425 33.466 31.823 0.362 0.000 0.990 331 V HN 0.683 nan 8.190 nan 0.000 0.444 332 T N 3.732 118.442 114.554 0.259 0.000 2.758 332 T HA 0.714 5.063 4.350 -0.000 0.000 0.285 332 T C -0.385 174.492 174.700 0.294 0.000 0.981 332 T CA -0.591 61.640 62.100 0.219 0.000 0.965 332 T CB 1.689 70.642 68.868 0.142 0.000 0.927 332 T HN 0.338 nan 8.240 nan 0.000 0.448 333 V N 3.414 123.509 119.914 0.301 0.000 2.709 333 V HA 0.590 4.710 4.120 -0.000 0.000 0.308 333 V C -0.655 175.551 176.094 0.187 0.000 1.062 333 V CA -0.773 61.721 62.300 0.324 0.000 0.901 333 V CB 2.300 34.367 31.823 0.408 0.000 1.003 333 V HN 0.771 nan 8.190 nan 0.000 0.425 334 V N 3.346 123.360 119.914 0.168 0.000 2.483 334 V HA 0.567 4.687 4.120 -0.000 0.000 0.297 334 V C -1.227 174.936 176.094 0.115 0.000 1.027 334 V CA -0.366 61.949 62.300 0.025 0.000 0.855 334 V CB 1.974 33.706 31.823 -0.151 0.000 0.995 334 V HN 0.988 nan 8.190 nan 0.000 0.424 335 D N 2.241 122.664 120.400 0.037 0.000 2.479 335 D HA 0.353 4.993 4.640 -0.000 0.000 0.246 335 D C 0.850 177.173 176.300 0.039 0.000 1.336 335 D CA 0.190 54.204 54.000 0.024 0.000 0.967 335 D CB 2.104 42.778 40.800 -0.210 0.000 1.275 335 D HN 0.597 nan 8.370 nan 0.000 0.577 336 T N -0.742 113.856 114.554 0.074 0.000 3.035 336 T HA -0.088 4.262 4.350 -0.000 0.000 0.259 336 T C 1.767 176.506 174.700 0.065 0.000 1.078 336 T CA 1.213 63.358 62.100 0.075 0.000 1.132 336 T CB -0.386 68.533 68.868 0.084 0.000 0.900 336 T HN 0.342 nan 8.240 nan 0.000 0.480 337 T N 1.309 115.905 114.554 0.070 0.000 2.848 337 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 337 T C 1.172 175.895 174.700 0.039 0.000 1.081 337 T CA 0.911 63.047 62.100 0.061 0.000 1.125 337 T CB -0.505 68.412 68.868 0.082 0.000 0.848 337 T HN 0.532 nan 8.240 nan 0.000 0.503 338 R N 0.822 121.342 120.500 0.033 0.000 2.674 338 R HA 0.335 4.675 4.340 -0.000 0.000 0.270 338 R C 0.773 177.137 176.300 0.107 0.000 1.492 338 R CA 0.143 56.264 56.100 0.035 0.000 1.624 338 R CB 0.813 31.106 30.300 -0.012 0.000 1.307 338 R HN 0.432 nan 8.270 nan 0.000 0.683 339 S N -1.438 114.297 115.700 0.058 0.000 2.517 339 S HA -0.013 4.457 4.470 -0.000 0.000 0.214 339 S C 0.889 175.282 174.600 -0.345 0.000 0.991 339 S CA -0.199 57.975 58.200 -0.042 0.000 0.906 339 S CB 0.212 63.388 63.200 -0.039 0.000 0.789 339 S HN 0.193 nan 8.310 nan 0.000 0.513 340 T N 5.022 119.479 114.554 -0.161 0.000 2.709 340 T HA 0.057 4.407 4.350 -0.000 0.000 0.269 340 T C -0.335 174.198 174.700 -0.277 0.000 1.008 340 T CA 0.374 62.373 62.100 -0.169 0.000 1.194 340 T CB -0.651 68.188 68.868 -0.048 0.000 0.986 340 T HN 0.686 nan 8.240 nan 0.000 0.508 341 N N 3.283 121.797 118.700 -0.309 0.000 2.372 341 N HA 0.546 5.286 4.740 -0.000 0.000 0.285 341 N C -0.301 175.144 175.510 -0.108 0.000 1.008 341 N CA -1.060 51.815 53.050 -0.291 0.000 0.880 341 N CB 1.081 39.327 38.487 -0.401 0.000 1.239 341 N HN 0.626 nan 8.380 nan 0.000 0.484 342 M N -0.683 118.895 119.600 -0.036 0.000 2.423 342 M HA 0.669 5.149 4.480 -0.000 0.000 0.335 342 M C -0.722 175.583 176.300 0.008 0.000 1.177 342 M CA -0.771 54.527 55.300 -0.004 0.000 1.038 342 M CB 1.728 34.340 32.600 0.019 0.000 1.641 342 M HN 0.454 nan 8.290 nan 0.000 0.455 343 S N 3.501 119.217 115.700 0.027 0.000 2.475 343 S HA 0.830 5.300 4.470 -0.000 0.000 0.298 343 S C -0.521 174.127 174.600 0.080 0.000 1.119 343 S CA -1.026 57.208 58.200 0.057 0.000 1.085 343 S CB 1.339 64.573 63.200 0.055 0.000 1.028 343 S HN 0.837 nan 8.310 nan 0.000 0.489 344 L N 0.205 121.504 121.223 0.127 0.000 2.381 344 L HA 0.967 5.307 4.340 -0.000 0.000 0.268 344 L C -0.502 176.523 176.870 0.260 0.000 0.997 344 L CA -0.978 53.950 54.840 0.147 0.000 0.818 344 L CB 1.428 43.541 42.059 0.090 0.000 1.310 344 L HN 0.954 nan 8.230 nan 0.000 0.416 345 C N 1.781 121.224 119.300 0.239 0.000 2.634 345 C HA 1.023 5.483 4.460 -0.000 0.000 0.313 345 C C 0.004 175.174 174.990 0.300 0.000 1.198 345 C CA 0.150 59.358 59.018 0.317 0.000 1.605 345 C CB 1.011 28.916 27.740 0.275 0.000 2.196 345 C HN 1.335 nan 8.230 nan 0.000 0.486 346 A N 2.511 125.518 122.820 0.312 0.000 2.393 346 A HA 0.906 5.226 4.320 -0.000 0.000 0.306 346 A C -0.046 177.577 177.584 0.065 0.000 1.050 346 A CA 0.122 52.263 52.037 0.174 0.000 0.724 346 A CB 1.132 20.218 19.000 0.143 0.000 1.248 346 A HN 2.340 nan 8.150 nan 0.000 0.424 347 A N 0.921 123.667 122.820 -0.124 0.000 2.332 347 A HA 0.543 4.863 4.320 -0.000 0.000 0.258 347 A C 0.745 178.167 177.584 -0.270 0.000 1.087 347 A CA 0.042 51.795 52.037 -0.473 0.000 0.802 347 A CB 0.105 18.738 19.000 -0.612 0.000 1.042 347 A HN 1.584 nan 8.150 nan 0.000 0.489 348 I N -0.100 120.280 120.570 -0.317 0.000 3.645 348 I HA 0.144 4.314 4.170 -0.000 0.000 0.300 348 I C 0.203 176.229 176.117 -0.152 0.000 1.260 348 I CA 1.135 62.334 61.300 -0.169 0.000 1.365 348 I CB 0.051 37.965 38.000 -0.143 0.000 1.077 348 I HN 0.639 nan 8.210 nan 0.000 0.439 349 S N -1.827 113.749 115.700 -0.205 0.000 2.604 349 S HA 0.167 4.637 4.470 -0.000 0.000 0.296 349 S C 0.265 174.780 174.600 -0.141 0.000 1.097 349 S CA -0.200 57.920 58.200 -0.133 0.000 0.883 349 S CB 0.210 63.355 63.200 -0.091 0.000 1.081 349 S HN 0.166 nan 8.310 nan 0.000 0.448 350 T N -0.827 113.673 114.554 -0.089 0.000 3.219 350 T HA 0.168 4.518 4.350 -0.000 0.000 0.249 350 T C 1.377 176.055 174.700 -0.038 0.000 1.099 350 T CA 0.562 62.624 62.100 -0.063 0.000 0.988 350 T CB -0.542 68.306 68.868 -0.034 0.000 0.999 350 T HN 0.502 nan 8.240 nan 0.000 0.550 351 S N 1.655 117.328 115.700 -0.045 0.000 2.361 351 S HA -0.034 4.436 4.470 -0.000 0.000 0.214 351 S C 0.668 175.261 174.600 -0.012 0.000 1.034 351 S CA 0.524 58.709 58.200 -0.025 0.000 1.025 351 S CB -0.503 62.680 63.200 -0.028 0.000 0.996 351 S HN 0.549 nan 8.310 nan 0.000 0.422 352 E N 1.508 121.696 120.200 -0.020 0.000 2.892 352 E HA -0.075 4.274 4.350 -0.000 0.000 0.273 352 E C 0.956 177.574 176.600 0.029 0.000 0.921 352 E CA 0.915 57.318 56.400 0.004 0.000 0.968 352 E CB 0.098 29.799 29.700 0.002 0.000 0.941 352 E HN 0.588 nan 8.360 nan 0.000 0.492 353 T N -1.764 112.811 114.554 0.035 0.000 3.054 353 T HA 0.134 4.484 4.350 -0.000 0.000 0.255 353 T C 0.477 175.218 174.700 0.067 0.000 1.035 353 T CA 0.107 62.237 62.100 0.049 0.000 0.941 353 T CB -0.035 68.855 68.868 0.037 0.000 1.026 353 T HN 0.459 nan 8.240 nan 0.000 0.533 354 T N -0.648 113.952 114.554 0.075 0.000 2.907 354 T HA 0.573 4.923 4.350 -0.000 0.000 0.292 354 T C -0.974 173.805 174.700 0.133 0.000 1.043 354 T CA -1.036 61.125 62.100 0.102 0.000 1.003 354 T CB 1.623 70.539 68.868 0.079 0.000 1.084 354 T HN 0.209 nan 8.240 nan 0.000 0.483 355 Y N 1.601 121.944 120.300 0.071 0.000 2.442 355 Y HA 0.438 4.988 4.550 -0.000 0.000 0.330 355 Y C 0.010 175.967 175.900 0.096 0.000 1.129 355 Y CA 0.112 58.263 58.100 0.085 0.000 1.365 355 Y CB 0.522 38.976 38.460 -0.010 0.000 1.233 355 Y HN 0.622 nan 8.280 nan 0.000 0.529 356 K N 5.807 126.000 120.400 -0.345 0.000 2.579 356 K HA 0.153 4.473 4.320 -0.000 0.000 0.250 356 K C 0.329 176.779 176.600 -0.249 0.000 0.952 356 K CA -0.703 55.487 56.287 -0.163 0.000 0.857 356 K CB 1.349 33.826 32.500 -0.039 0.000 1.123 356 K HN 0.758 nan 8.250 nan 0.000 0.433 357 N N 0.650 119.318 118.700 -0.055 0.000 2.225 357 N HA -0.242 4.498 4.740 -0.000 0.000 0.198 357 N C 0.855 176.394 175.510 0.048 0.000 0.959 357 N CA 2.440 55.530 53.050 0.067 0.000 0.915 357 N CB -0.070 38.496 38.487 0.132 0.000 1.072 357 N HN 0.651 nan 8.380 nan 0.000 0.620 358 T N -3.313 111.256 114.554 0.026 0.000 3.240 358 T HA 0.282 4.632 4.350 -0.000 0.000 0.248 358 T C 0.499 175.196 174.700 -0.006 0.000 0.929 358 T CA -0.422 61.691 62.100 0.021 0.000 0.939 358 T CB -0.061 68.812 68.868 0.007 0.000 1.114 358 T HN 0.115 nan 8.240 nan 0.000 0.558 359 N N 0.351 119.060 118.700 0.014 0.000 2.171 359 N HA 0.263 5.003 4.740 -0.000 0.000 0.212 359 N C -1.120 174.156 175.510 -0.389 0.000 1.184 359 N CA -0.520 52.449 53.050 -0.136 0.000 0.888 359 N CB 0.393 38.785 38.487 -0.158 0.000 1.038 359 N HN 0.355 nan 8.380 nan 0.000 0.517 360 F N 0.517 120.409 119.950 -0.095 0.000 2.556 360 F HA 0.480 5.007 4.527 -0.000 0.000 0.314 360 F C 0.080 175.869 175.800 -0.018 0.000 1.106 360 F CA -1.000 56.978 58.000 -0.036 0.000 0.911 360 F CB 1.679 40.663 39.000 -0.027 0.000 1.190 360 F HN -0.371 nan 8.300 nan 0.000 0.448 361 K N 2.310 122.798 120.400 0.146 0.000 2.201 361 K HA 0.331 4.651 4.320 -0.000 0.000 0.278 361 K C -0.484 176.086 176.600 -0.049 0.000 1.027 361 K CA -0.650 55.637 56.287 -0.001 0.000 0.909 361 K CB 1.074 33.585 32.500 0.018 0.000 1.062 361 K HN 0.504 nan 8.250 nan 0.000 0.465 362 E N 2.578 122.658 120.200 -0.200 0.000 2.191 362 E HA 0.275 4.625 4.350 -0.000 0.000 0.278 362 E C -1.102 175.369 176.600 -0.216 0.000 0.972 362 E CA -0.445 55.907 56.400 -0.079 0.000 0.804 362 E CB 1.319 31.017 29.700 -0.004 0.000 1.110 362 E HN 0.396 nan 8.360 nan 0.000 0.394 363 Y N 0.760 121.114 120.300 0.090 0.000 2.524 363 Y HA 0.400 4.950 4.550 -0.000 0.000 0.347 363 Y C -0.155 175.775 175.900 0.050 0.000 1.005 363 Y CA -0.834 57.324 58.100 0.097 0.000 1.025 363 Y CB 1.667 40.182 38.460 0.092 0.000 1.275 363 Y HN 0.238 nan 8.280 nan 0.000 0.460 364 L N 4.146 125.462 121.223 0.154 0.000 2.307 364 L HA 0.703 5.043 4.340 -0.000 0.000 0.284 364 L C -0.518 176.261 176.870 -0.152 0.000 1.023 364 L CA -0.891 53.907 54.840 -0.070 0.000 0.810 364 L CB 1.148 43.096 42.059 -0.185 0.000 1.231 364 L HN 0.513 nan 8.230 nan 0.000 0.423 365 R N 1.621 122.077 120.500 -0.074 0.000 2.651 365 R HA 0.486 4.826 4.340 -0.000 0.000 0.278 365 R C -1.394 174.928 176.300 0.037 0.000 1.010 365 R CA -0.801 55.280 56.100 -0.032 0.000 0.896 365 R CB 2.263 32.571 30.300 0.014 0.000 1.211 365 R HN 0.673 nan 8.270 nan 0.000 0.456 366 H N -0.203 118.819 119.070 -0.079 0.000 2.771 366 H HA 0.612 5.168 4.556 -0.000 0.000 0.361 366 H C -0.832 174.484 175.328 -0.021 0.000 1.108 366 H CA -0.715 55.297 56.048 -0.060 0.000 1.201 366 H CB 2.265 31.974 29.762 -0.089 0.000 1.681 366 H HN 0.778 nan 8.280 nan 0.000 0.534 367 G N 2.245 110.941 108.800 -0.174 0.000 2.537 367 G HA2 0.468 4.428 3.960 -0.000 0.000 0.308 367 G HA3 0.468 4.428 3.960 -0.000 0.000 0.308 367 G C -1.255 173.477 174.900 -0.280 0.000 1.237 367 G CA -0.550 44.439 45.100 -0.184 0.000 0.968 367 G HN 0.579 nan 8.290 nan 0.000 0.481 368 E N 0.189 120.305 120.200 -0.139 0.000 2.428 368 E HA 0.095 4.445 4.350 -0.000 0.000 0.307 368 E C -1.486 175.081 176.600 -0.056 0.000 0.902 368 E CA -0.405 55.912 56.400 -0.140 0.000 0.799 368 E CB 2.375 32.044 29.700 -0.051 0.000 1.351 368 E HN 0.675 nan 8.360 nan 0.000 0.392 369 E N 3.466 123.569 120.200 -0.162 0.000 2.081 369 E HA 0.335 4.685 4.350 -0.000 0.000 0.276 369 E C -1.244 175.215 176.600 -0.235 0.000 0.950 369 E CA -0.300 56.035 56.400 -0.110 0.000 0.776 369 E CB 0.738 30.391 29.700 -0.077 0.000 1.094 369 E HN 0.366 nan 8.360 nan 0.000 0.402 370 Y N 2.507 122.783 120.300 -0.040 0.000 2.509 370 Y HA 0.365 4.915 4.550 -0.000 0.000 0.341 370 Y C -0.140 175.667 175.900 -0.155 0.000 1.038 370 Y CA -0.798 57.230 58.100 -0.120 0.000 1.089 370 Y CB 1.941 40.315 38.460 -0.143 0.000 1.241 370 Y HN 0.463 nan 8.280 nan 0.000 0.468 371 D N 3.186 123.599 120.400 0.021 0.000 2.891 371 D HA 0.242 4.882 4.640 -0.000 0.000 0.224 371 D C -1.754 174.432 176.300 -0.191 0.000 1.321 371 D CA -0.257 53.691 54.000 -0.086 0.000 0.929 371 D CB 1.635 42.397 40.800 -0.064 0.000 1.551 371 D HN 0.471 nan 8.370 nan 0.000 0.574 372 L N 2.941 124.012 121.223 -0.252 0.000 2.307 372 L HA 0.388 4.728 4.340 -0.000 0.000 0.282 372 L C -0.171 176.466 176.870 -0.387 0.000 1.051 372 L CA -0.540 54.080 54.840 -0.368 0.000 0.804 372 L CB 1.665 43.578 42.059 -0.244 0.000 1.197 372 L HN 0.374 nan 8.230 nan 0.000 0.431 373 Q N 3.576 122.942 119.800 -0.724 0.000 2.394 373 Q HA 0.591 4.931 4.340 -0.000 0.000 0.273 373 Q C -1.458 173.869 176.000 -1.122 0.000 1.089 373 Q CA -0.498 54.900 55.803 -0.674 0.000 0.812 373 Q CB 3.121 31.554 28.738 -0.508 0.000 1.353 373 Q HN 0.341 nan 8.270 nan 0.000 0.438 374 F N 0.752 120.272 119.950 -0.716 0.000 2.613 374 F HA 0.590 5.117 4.527 -0.000 0.000 0.314 374 F C -0.414 174.831 175.800 -0.926 0.000 1.075 374 F CA -0.979 56.504 58.000 -0.863 0.000 0.945 374 F CB 1.655 40.125 39.000 -0.885 0.000 1.310 374 F HN 0.245 nan 8.300 nan 0.000 0.467 375 I N 2.487 122.591 120.570 -0.776 0.000 2.534 375 I HA 0.336 4.506 4.170 -0.000 0.000 0.286 375 I C -1.224 174.585 176.117 -0.514 0.000 1.094 375 I CA -1.022 59.972 61.300 -0.511 0.000 1.055 375 I CB 1.467 39.216 38.000 -0.418 0.000 1.225 375 I HN 0.428 nan 8.210 nan 0.000 0.435 376 F N 3.954 123.934 119.950 0.050 0.000 2.538 376 F HA 0.558 5.085 4.527 -0.000 0.000 0.325 376 F C 0.384 176.510 175.800 0.543 0.000 1.066 376 F CA -0.713 57.413 58.000 0.209 0.000 0.946 376 F CB 1.992 41.000 39.000 0.012 0.000 1.199 376 F HN 0.376 nan 8.300 nan 0.000 0.473 377 Q N 3.367 123.571 119.800 0.673 0.000 2.330 377 Q HA 0.542 4.882 4.340 -0.000 0.000 0.269 377 Q C -1.649 174.468 176.000 0.195 0.000 1.022 377 Q CA -1.078 54.949 55.803 0.372 0.000 0.796 377 Q CB 2.137 31.069 28.738 0.324 0.000 1.271 377 Q HN 0.737 nan 8.270 nan 0.000 0.450 378 L N 3.220 124.408 121.223 -0.059 0.000 2.418 378 L HA 0.619 4.959 4.340 -0.000 0.000 0.265 378 L C -1.415 175.221 176.870 -0.390 0.000 1.143 378 L CA 0.318 54.883 54.840 -0.460 0.000 0.809 378 L CB 1.447 43.115 42.059 -0.652 0.000 1.124 378 L HN 0.921 nan 8.230 nan 0.000 0.456 379 C N 2.203 121.261 119.300 -0.403 0.000 3.288 379 C HA 0.719 5.179 4.460 -0.000 0.000 0.318 379 C C -0.991 173.879 174.990 -0.200 0.000 1.356 379 C CA -1.035 57.840 59.018 -0.238 0.000 1.359 379 C CB 2.421 30.070 27.740 -0.151 0.000 1.688 379 C HN 0.956 nan 8.230 nan 0.000 0.467 380 K N 0.895 121.234 120.400 -0.103 0.000 2.477 380 K HA 0.904 5.224 4.320 -0.000 0.000 0.255 380 K C -1.783 174.821 176.600 0.006 0.000 0.952 380 K CA -0.557 55.698 56.287 -0.054 0.000 0.826 380 K CB 1.894 34.397 32.500 0.005 0.000 1.331 380 K HN 0.618 nan 8.250 nan 0.000 0.437 381 I N 2.058 122.629 120.570 0.002 0.000 2.534 381 I HA 0.125 4.295 4.170 -0.000 0.000 0.286 381 I C -0.535 175.580 176.117 -0.003 0.000 1.094 381 I CA -0.731 60.604 61.300 0.058 0.000 1.055 381 I CB 2.465 40.562 38.000 0.161 0.000 1.225 381 I HN 0.823 nan 8.210 nan 0.000 0.435 382 T N 4.147 118.720 114.554 0.033 0.000 2.832 382 T HA 0.505 4.855 4.350 -0.000 0.000 0.296 382 T C -0.306 174.409 174.700 0.025 0.000 0.968 382 T CA -0.606 61.499 62.100 0.008 0.000 1.107 382 T CB 0.999 69.879 68.868 0.019 0.000 0.916 382 T HN 0.218 nan 8.240 nan 0.000 0.517 383 L N 4.557 125.778 121.223 -0.002 0.000 2.328 383 L HA 0.330 4.670 4.340 -0.000 0.000 0.280 383 L C 1.344 178.234 176.870 0.034 0.000 1.111 383 L CA -0.087 54.770 54.840 0.028 0.000 0.909 383 L CB 0.031 42.100 42.059 0.018 0.000 1.277 383 L HN 1.064 nan 8.230 nan 0.000 0.433 384 T N -0.469 114.113 114.554 0.046 0.000 2.891 384 T HA 0.589 4.939 4.350 -0.000 0.000 0.294 384 T C 1.422 176.143 174.700 0.035 0.000 1.065 384 T CA 0.081 62.202 62.100 0.034 0.000 0.936 384 T CB 0.938 69.824 68.868 0.031 0.000 1.415 384 T HN 0.376 nan 8.240 nan 0.000 0.572 385 A N 0.493 123.326 122.820 0.023 0.000 1.855 385 A HA 0.024 4.344 4.320 -0.000 0.000 0.215 385 A C 1.968 179.566 177.584 0.024 0.000 1.191 385 A CA 1.903 53.951 52.037 0.019 0.000 0.613 385 A CB -1.252 17.755 19.000 0.011 0.000 0.829 385 A HN 0.860 nan 8.150 nan 0.000 0.442 386 D N -1.111 119.300 120.400 0.017 0.000 2.289 386 D HA 0.064 4.704 4.640 -0.000 0.000 0.207 386 D C 1.864 178.163 176.300 -0.003 0.000 0.966 386 D CA 0.592 54.596 54.000 0.006 0.000 0.868 386 D CB 0.040 40.833 40.800 -0.012 0.000 0.943 386 D HN 0.195 nan 8.370 nan 0.000 0.514 387 V N 0.582 120.505 119.914 0.016 0.000 2.231 387 V HA -0.205 3.915 4.120 -0.000 0.000 0.240 387 V C 2.394 178.540 176.094 0.087 0.000 1.039 387 V CA 1.418 63.737 62.300 0.032 0.000 0.998 387 V CB -0.466 31.415 31.823 0.096 0.000 0.639 387 V HN 0.149 nan 8.190 nan 0.000 0.451 388 M N 0.681 120.340 119.600 0.098 0.000 2.116 388 M HA -0.277 4.203 4.480 -0.000 0.000 0.255 388 M C 2.246 178.614 176.300 0.115 0.000 1.075 388 M CA 2.849 58.221 55.300 0.119 0.000 1.087 388 M CB -0.466 32.183 32.600 0.082 0.000 1.340 388 M HN 0.687 nan 8.290 nan 0.000 0.402 389 T N -2.408 112.199 114.554 0.088 0.000 2.812 389 T HA -0.204 4.146 4.350 -0.000 0.000 0.264 389 T C 1.656 176.450 174.700 0.156 0.000 1.042 389 T CA 1.380 63.536 62.100 0.094 0.000 1.140 389 T CB -1.034 67.873 68.868 0.066 0.000 0.870 389 T HN 0.571 nan 8.240 nan 0.000 0.445 390 Y N 2.364 122.634 120.300 -0.049 0.000 2.114 390 Y HA 0.099 4.649 4.550 -0.000 0.000 0.284 390 Y C 1.999 177.804 175.900 -0.157 0.000 1.143 390 Y CA 1.048 59.084 58.100 -0.106 0.000 1.135 390 Y CB -0.482 37.841 38.460 -0.227 0.000 0.980 390 Y HN 0.192 nan 8.280 nan 0.000 0.499 391 I N 0.448 121.029 120.570 0.017 0.000 3.294 391 I HA -0.253 3.917 4.170 -0.000 0.000 0.287 391 I C 1.866 177.885 176.117 -0.164 0.000 1.328 391 I CA 1.306 62.512 61.300 -0.156 0.000 1.375 391 I CB -0.592 37.437 38.000 0.048 0.000 1.045 391 I HN 0.481 nan 8.210 nan 0.000 0.522 392 H N -0.295 118.675 119.070 -0.168 0.000 2.926 392 H HA 0.162 4.718 4.556 -0.000 0.000 0.249 392 H C 1.870 177.087 175.328 -0.185 0.000 0.963 392 H CA 0.406 56.358 56.048 -0.160 0.000 1.158 392 H CB 0.613 30.332 29.762 -0.072 0.000 1.445 392 H HN 0.064 nan 8.280 nan 0.000 0.452 393 S N 0.662 116.348 115.700 -0.025 0.000 2.607 393 S HA 0.049 4.519 4.470 -0.000 0.000 0.224 393 S C 1.690 176.136 174.600 -0.258 0.000 0.969 393 S CA 0.443 58.603 58.200 -0.066 0.000 0.927 393 S CB 0.114 63.327 63.200 0.021 0.000 0.772 393 S HN 0.440 nan 8.310 nan 0.000 0.533 394 M N 0.654 119.943 119.600 -0.520 0.000 2.935 394 M HA 0.254 4.734 4.480 -0.000 0.000 0.213 394 M C -0.173 175.705 176.300 -0.704 0.000 1.427 394 M CA 0.625 55.369 55.300 -0.927 0.000 1.367 394 M CB 0.553 32.459 32.600 -1.156 0.000 1.038 394 M HN 0.089 nan 8.290 nan 0.000 0.547 395 N N 0.178 118.475 118.700 -0.672 0.000 2.577 395 N HA 0.150 4.890 4.740 -0.000 0.000 0.275 395 N C 0.393 175.585 175.510 -0.531 0.000 1.091 395 N CA -0.026 52.692 53.050 -0.553 0.000 0.843 395 N CB 1.213 39.351 38.487 -0.582 0.000 1.295 395 N HN 0.338 nan 8.380 nan 0.000 0.530 396 S N 1.334 116.735 115.700 -0.497 0.000 2.365 396 S HA -0.259 4.211 4.470 -0.000 0.000 0.225 396 S C 2.059 176.442 174.600 -0.362 0.000 1.039 396 S CA 2.136 60.028 58.200 -0.514 0.000 1.033 396 S CB -1.060 61.817 63.200 -0.538 0.000 0.887 396 S HN 0.741 nan 8.310 nan 0.000 0.447 397 T N 1.216 115.582 114.554 -0.313 0.000 2.802 397 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 397 T C 1.716 176.203 174.700 -0.355 0.000 1.062 397 T CA 1.351 63.296 62.100 -0.259 0.000 1.133 397 T CB -0.852 67.889 68.868 -0.212 0.000 0.852 397 T HN 0.343 nan 8.240 nan 0.000 0.485 398 I N 1.640 121.894 120.570 -0.526 0.000 2.142 398 I HA -0.044 4.126 4.170 -0.000 0.000 0.240 398 I C 2.550 178.129 176.117 -0.896 0.000 1.078 398 I CA 1.156 61.934 61.300 -0.869 0.000 1.343 398 I CB -1.338 36.022 38.000 -1.067 0.000 1.046 398 I HN 0.341 nan 8.210 nan 0.000 0.405 399 L N 0.092 121.042 121.223 -0.455 0.000 2.156 399 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 399 L C 2.430 179.323 176.870 0.038 0.000 1.095 399 L CA 0.852 55.683 54.840 -0.015 0.000 0.770 399 L CB -0.632 41.510 42.059 0.138 0.000 0.914 399 L HN 0.228 nan 8.230 nan 0.000 0.439 400 E N 0.476 120.635 120.200 -0.068 0.000 2.007 400 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 400 E C 1.754 178.360 176.600 0.009 0.000 0.999 400 E CA 1.492 57.885 56.400 -0.012 0.000 0.811 400 E CB -0.217 29.455 29.700 -0.047 0.000 0.762 400 E HN 0.432 nan 8.360 nan 0.000 0.450 401 D N 0.134 120.490 120.400 -0.073 0.000 2.133 401 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 401 D C 0.303 176.644 176.300 0.069 0.000 0.997 401 D CA 0.657 54.630 54.000 -0.046 0.000 0.840 401 D CB -0.267 40.454 40.800 -0.131 0.000 0.947 401 D HN 0.141 nan 8.370 nan 0.000 0.452 402 W N 2.016 123.344 121.300 0.047 0.000 2.343 402 W HA 0.096 4.756 4.660 -0.000 0.000 0.337 402 W C 1.110 177.662 176.519 0.055 0.000 1.320 402 W CA 0.114 57.498 57.345 0.065 0.000 1.290 402 W CB -0.718 28.787 29.460 0.075 0.000 1.206 402 W HN -0.015 nan 8.180 nan 0.000 0.565 439 D N 3.627 124.048 120.400 0.035 0.000 2.487 439 D HA 0.064 4.704 4.640 -0.000 0.000 0.243 439 D C -1.389 174.963 176.300 0.086 0.000 1.154 439 D CA -1.357 52.680 54.000 0.063 0.000 0.876 439 D CB 1.212 42.062 40.800 0.082 0.000 1.161 439 D HN 0.149 nan 8.370 nan 0.000 0.478 440 P HA -0.012 nan 4.420 nan 0.000 0.231 440 P C 0.573 178.033 177.300 0.265 0.000 1.168 440 P CA 0.542 63.722 63.100 0.133 0.000 0.779 440 P CB 0.327 32.082 31.700 0.091 0.000 0.844 441 L N -0.601 120.800 121.223 0.297 0.000 3.073 441 L HA 0.321 4.661 4.340 -0.000 0.000 0.242 441 L C 1.843 178.907 176.870 0.323 0.000 1.317 441 L CA -0.171 54.960 54.840 0.485 0.000 1.081 441 L CB 0.079 42.434 42.059 0.493 0.000 1.456 441 L HN -0.152 nan 8.230 nan 0.000 0.525 442 K N 1.154 121.667 120.400 0.188 0.000 2.166 442 K HA 0.005 4.325 4.320 -0.000 0.000 0.201 442 K C 1.812 178.384 176.600 -0.046 0.000 1.052 442 K CA 0.799 57.126 56.287 0.067 0.000 0.969 442 K CB 0.390 32.909 32.500 0.032 0.000 0.761 442 K HN 0.049 nan 8.250 nan 0.000 0.459 443 K N 0.212 120.525 120.400 -0.146 0.000 2.551 443 K HA -0.005 4.315 4.320 -0.000 0.000 0.192 443 K C -0.383 175.824 176.600 -0.656 0.000 1.027 443 K CA 0.378 56.428 56.287 -0.395 0.000 1.059 443 K CB -0.216 31.986 32.500 -0.497 0.000 0.831 443 K HN 0.145 nan 8.250 nan 0.000 0.508 444 Y N 0.352 120.538 120.300 -0.189 0.000 2.562 444 Y HA 0.302 4.852 4.550 -0.000 0.000 0.343 444 Y C 0.268 175.786 175.900 -0.638 0.000 1.025 444 Y CA -0.959 56.888 58.100 -0.422 0.000 1.082 444 Y CB 2.009 40.185 38.460 -0.474 0.000 1.264 444 Y HN -0.239 nan 8.280 nan 0.000 0.478 445 T N 3.090 117.271 114.554 -0.621 0.000 2.792 445 T HA 0.696 5.046 4.350 -0.000 0.000 0.280 445 T C -1.107 173.203 174.700 -0.649 0.000 0.990 445 T CA -0.694 61.067 62.100 -0.565 0.000 0.960 445 T CB 0.218 68.917 68.868 -0.281 0.000 0.939 445 T HN 0.388 nan 8.240 nan 0.000 0.439 446 F N -0.007 119.954 119.950 0.019 0.000 2.662 446 F HA 0.463 4.990 4.527 -0.000 0.000 0.312 446 F C -0.703 175.144 175.800 0.078 0.000 1.113 446 F CA -1.634 56.371 58.000 0.007 0.000 0.951 446 F CB 1.319 40.336 39.000 0.028 0.000 1.344 446 F HN 0.456 nan 8.300 nan 0.000 0.462 447 W N 3.804 125.175 121.300 0.118 0.000 2.529 447 W HA 0.192 4.852 4.660 -0.000 0.000 0.319 447 W C -0.469 176.165 176.519 0.191 0.000 1.362 447 W CA -0.335 57.046 57.345 0.061 0.000 1.348 447 W CB 0.303 29.677 29.460 -0.144 0.000 1.403 447 W HN 0.445 nan 8.180 nan 0.000 0.519 448 E N 4.707 125.215 120.200 0.514 0.000 2.180 448 E HA 0.173 4.523 4.350 -0.000 0.000 0.283 448 E C -0.592 176.306 176.600 0.497 0.000 1.061 448 E CA -0.259 56.413 56.400 0.453 0.000 0.861 448 E CB 1.711 31.630 29.700 0.365 0.000 1.056 448 E HN 0.105 nan 8.360 nan 0.000 0.407 449 V N 4.225 124.351 119.914 0.355 0.000 2.409 449 V HA 0.197 4.316 4.120 -0.000 0.000 0.291 449 V C 0.307 176.535 176.094 0.223 0.000 1.020 449 V CA -0.970 61.484 62.300 0.257 0.000 0.848 449 V CB 1.653 33.552 31.823 0.126 0.000 0.990 449 V HN 0.507 nan 8.190 nan 0.000 0.430 450 N N 5.124 123.942 118.700 0.198 0.000 2.546 450 N HA 0.339 5.079 4.740 -0.000 0.000 0.238 450 N C 0.201 175.754 175.510 0.071 0.000 0.984 450 N CA -0.358 52.782 53.050 0.150 0.000 0.935 450 N CB 1.523 40.071 38.487 0.102 0.000 1.122 450 N HN 0.688 nan 8.380 nan 0.000 0.510 451 L N 3.189 124.432 121.223 0.033 0.000 2.607 451 L HA 0.098 4.438 4.340 -0.000 0.000 0.228 451 L C 1.923 178.826 176.870 0.056 0.000 1.123 451 L CA 0.072 54.933 54.840 0.035 0.000 0.890 451 L CB 0.126 42.170 42.059 -0.025 0.000 1.103 451 L HN 0.421 nan 8.230 nan 0.000 0.468 452 K N 0.805 121.171 120.400 -0.055 0.000 2.002 452 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 452 K C 0.899 177.437 176.600 -0.104 0.000 1.048 452 K CA 1.338 57.506 56.287 -0.200 0.000 0.930 452 K CB -0.066 32.345 32.500 -0.149 0.000 0.714 452 K HN 0.095 nan 8.250 nan 0.000 0.438 453 E N 0.617 120.822 120.200 0.008 0.000 2.296 453 E HA 0.017 4.367 4.350 -0.000 0.000 0.196 453 E C 0.518 177.189 176.600 0.118 0.000 1.143 453 E CA 0.198 56.640 56.400 0.070 0.000 1.145 453 E CB 0.363 30.104 29.700 0.067 0.000 1.215 453 E HN 0.111 nan 8.360 nan 0.000 0.447 454 K N -0.591 119.899 120.400 0.151 0.000 2.391 454 K HA 0.157 4.477 4.320 -0.000 0.000 0.197 454 K C -0.031 176.723 176.600 0.255 0.000 1.087 454 K CA -0.027 56.365 56.287 0.176 0.000 1.012 454 K CB 0.425 32.992 32.500 0.112 0.000 0.925 454 K HN 0.062 nan 8.250 nan 0.000 0.547 455 F N 1.506 121.426 119.950 -0.050 0.000 2.418 455 F HA 0.238 4.765 4.527 -0.000 0.000 0.341 455 F C 0.850 176.815 175.800 0.274 0.000 1.120 455 F CA -0.376 57.623 58.000 -0.002 0.000 1.232 455 F CB 1.033 39.818 39.000 -0.359 0.000 1.175 455 F HN -0.284 nan 8.300 nan 0.000 0.569 456 S N 0.523 116.568 115.700 0.576 0.000 2.546 456 S HA 0.674 5.144 4.470 -0.000 0.000 0.272 456 S C 0.239 174.936 174.600 0.162 0.000 1.140 456 S CA -0.075 58.399 58.200 0.456 0.000 0.920 456 S CB 1.447 64.916 63.200 0.448 0.000 1.083 456 S HN 0.749 nan 8.310 nan 0.000 0.476 457 A N 2.425 125.172 122.820 -0.122 0.000 1.861 457 A HA 0.149 4.469 4.320 -0.000 0.000 0.212 457 A C 0.407 177.897 177.584 -0.157 0.000 1.199 457 A CA 1.018 52.666 52.037 -0.649 0.000 0.613 457 A CB -0.777 17.957 19.000 -0.443 0.000 0.846 457 A HN 0.890 nan 8.150 nan 0.000 0.446 458 D N 1.275 121.665 120.400 -0.016 0.000 2.356 458 D HA 0.111 4.751 4.640 -0.000 0.000 0.272 458 D C 0.627 176.982 176.300 0.092 0.000 1.337 458 D CA 0.001 54.013 54.000 0.021 0.000 0.970 458 D CB 0.085 40.887 40.800 0.003 0.000 1.092 458 D HN 0.407 nan 8.370 nan 0.000 0.516 459 L N 1.039 122.325 121.223 0.105 0.000 2.478 459 L HA -0.062 4.278 4.340 -0.000 0.000 0.223 459 L C 0.944 177.865 176.870 0.084 0.000 1.140 459 L CA 0.494 55.440 54.840 0.177 0.000 0.842 459 L CB -0.400 41.754 42.059 0.158 0.000 0.953 459 L HN 0.197 nan 8.230 nan 0.000 0.452 460 D N 0.132 120.533 120.400 0.001 0.000 2.389 460 D HA -0.152 4.487 4.640 -0.000 0.000 0.221 460 D C 1.370 177.598 176.300 -0.120 0.000 0.974 460 D CA 0.765 54.733 54.000 -0.052 0.000 0.923 460 D CB 0.083 40.850 40.800 -0.055 0.000 0.892 460 D HN 0.313 nan 8.370 nan 0.000 0.518 461 Q N -0.540 119.123 119.800 -0.228 0.000 2.110 461 Q HA 0.257 4.597 4.340 -0.000 0.000 0.232 461 Q C -0.791 174.725 176.000 -0.807 0.000 0.810 461 Q CA -0.085 55.433 55.803 -0.476 0.000 1.083 461 Q CB 0.818 29.203 28.738 -0.588 0.000 1.193 461 Q HN 0.257 nan 8.270 nan 0.000 0.471 462 F N 0.637 120.496 119.950 -0.150 0.000 2.615 462 F HA 0.280 4.807 4.527 -0.000 0.000 0.312 462 F C -1.715 174.032 175.800 -0.088 0.000 1.119 462 F CA -1.764 56.111 58.000 -0.208 0.000 0.979 462 F CB 2.174 40.844 39.000 -0.549 0.000 1.266 462 F HN -0.234 nan 8.300 nan 0.000 0.444 463 P HA -0.195 nan 4.420 nan 0.000 0.215 463 P C 1.714 179.083 177.300 0.115 0.000 1.153 463 P CA 1.462 64.617 63.100 0.092 0.000 0.853 463 P CB 0.901 32.636 31.700 0.058 0.000 0.788 464 L N -0.351 120.965 121.223 0.156 0.000 1.988 464 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 464 L C 2.709 179.737 176.870 0.264 0.000 1.071 464 L CA 2.057 56.980 54.840 0.138 0.000 0.744 464 L CB -1.492 40.606 42.059 0.064 0.000 0.893 464 L HN 0.017 nan 8.230 nan 0.000 0.433 465 G N -0.088 108.910 108.800 0.330 0.000 2.732 465 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.222 465 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.222 465 G C 1.589 176.595 174.900 0.177 0.000 1.203 465 G CA 1.323 46.599 45.100 0.293 0.000 0.780 465 G HN 0.373 nan 8.290 nan 0.000 0.621 466 R N -0.011 120.561 120.500 0.121 0.000 2.127 466 R HA -0.023 4.317 4.340 -0.000 0.000 0.238 466 R C 2.697 179.038 176.300 0.068 0.000 1.134 466 R CA 1.448 57.580 56.100 0.053 0.000 0.975 466 R CB -0.161 30.161 30.300 0.037 0.000 0.865 466 R HN 0.358 nan 8.270 nan 0.000 0.447 467 K N -0.619 119.873 120.400 0.154 0.000 2.098 467 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 467 K C 1.797 178.551 176.600 0.257 0.000 1.051 467 K CA 0.721 57.132 56.287 0.206 0.000 0.957 467 K CB -0.128 32.533 32.500 0.268 0.000 0.738 467 K HN 0.024 nan 8.250 nan 0.000 0.447 468 F N 2.201 122.240 119.950 0.148 0.000 2.095 468 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 468 F C 1.848 177.454 175.800 -0.323 0.000 1.104 468 F CA 1.099 58.963 58.000 -0.227 0.000 1.232 468 F CB -0.641 38.285 39.000 -0.122 0.000 0.987 468 F HN -0.115 nan 8.300 nan 0.000 0.475 469 L N 0.245 121.155 121.223 -0.521 0.000 2.021 469 L HA -0.254 4.086 4.340 -0.000 0.000 0.215 469 L C 2.427 179.079 176.870 -0.363 0.000 1.074 469 L CA 1.834 56.364 54.840 -0.516 0.000 0.760 469 L CB -0.837 41.069 42.059 -0.255 0.000 0.889 469 L HN 0.341 nan 8.230 nan 0.000 0.433 470 L N -1.592 119.505 121.223 -0.211 0.000 2.552 470 L HA -0.106 4.234 4.340 -0.000 0.000 0.227 470 L C 2.166 178.933 176.870 -0.172 0.000 1.146 470 L CA 0.481 55.232 54.840 -0.149 0.000 0.858 470 L CB -0.109 41.914 42.059 -0.059 0.000 0.969 470 L HN 0.452 nan 8.230 nan 0.000 0.451 471 Q N -0.109 119.528 119.800 -0.273 0.000 2.377 471 Q HA 0.096 4.436 4.340 -0.000 0.000 0.193 471 Q C 1.007 176.816 176.000 -0.318 0.000 0.986 471 Q CA 0.060 55.676 55.803 -0.312 0.000 0.851 471 Q CB 0.072 28.503 28.738 -0.512 0.000 0.986 471 Q HN 0.268 nan 8.270 nan 0.000 0.559 472 L N 0.000 121.001 121.223 -0.369 0.000 2.949 472 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 472 L CA 0.000 54.702 54.840 -0.230 0.000 0.813 472 L CB 0.000 41.884 42.059 -0.292 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502