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 2ffl_1_A DATA FIRST_RESID -1 DATA SEQUENCE GAMHALGHCC TVVTTRGPSH WLLLLDTHLG TLPGFKVSAG RGLPAAEVYF DATA SEQUENCE EAGPRVSLSR TDATIVAVYQ SILFQLLGPT FPASWTEIGA TMPHNEYTFP DATA SEQUENCE RFISNPPQFA TLAFLPLLSP TSPLDLRALM VTAQLMCDAK RLSDEXXXXX DATA SEQUENCE XLSASLHGRM VATPEISWSL YVVLGIDSTQ TSLSYFTRAN ESITYMRYYA DATA SEQUENCE TAHNIHLRAA DLPLVAAVRL DDLKDHQIPA PGSXDDLAPK LRFLPPELCL DATA SEQUENCE LLPDEFDLIR VQALQFLPEI AKHICDIQNT ICALDKSFPD CGRIGGERYF DATA SEQUENCE AITAGLRLDQ GRGRGLAGWR TPFGPFGVSH TDVFQRLELL GDAVLGFIVT DATA SEQUENCE ARLLCLFPDA SVGTLVELKM ELVRNEALNY LVQTLGLPQL AEFSNNLXXK DATA SEQUENCE SKTWADMYEE IVGSIFTGPN GIYGCEEFLA KTLMSPEHSK TXXXACPDAV DATA SEQUENCE TKASKRVCMG EAGAHEFRSL VDYACEQGIS VFCSSRVSTM FLERLRDIPA DATA SEQUENCE EDMLDWYRLG IQFSHRSGLS GPGGVVSVID IMTHLARGLW LGSPGFYVEQ DATA SEQUENCE XXXXXXXXXP PTIPVLYIYH RSVQCPVLYG SLTXXXTGPV ASKVLALYEK DATA SEQUENCE ILAYESSGGS KHIAAQTVSR SLAVPIPSGT IPFLIRLLQI ALTPHVYQKL DATA SEQUENCE ELLGDAFLKC SLALHLHALH PTLTEGALTR MRQSAETNSV LGRLTKRFPS DATA SEQUENCE VVSEVIIESH PKIQPDSKVY GDTFEAILAA ILLACGEEAA GAFVREHVLP DATA SEQUENCE QVVADA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -1 G C 0.000 174.932 174.900 0.053 0.000 0.946 -1 G CA 0.000 45.127 45.100 0.046 0.000 0.502 0 A N -0.180 122.677 122.820 0.061 0.000 2.279 0 A HA 0.270 4.590 4.320 -0.000 0.000 0.190 0 A C 2.181 179.795 177.584 0.051 0.000 1.210 0 A CA 2.814 54.884 52.037 0.056 0.000 0.768 0 A CB -0.666 18.372 19.000 0.062 0.000 0.887 0 A HN 1.085 nan 8.150 nan 0.000 0.530 1 M N -2.453 117.179 119.600 0.053 0.000 2.486 1 M HA 0.070 4.550 4.480 -0.000 0.000 0.264 1 M C 0.472 176.795 176.300 0.039 0.000 1.125 1 M CA 0.385 55.702 55.300 0.028 0.000 1.144 1 M CB 0.113 32.714 32.600 0.001 0.000 1.353 1 M HN 0.542 nan 8.290 nan 0.000 0.466 2 H N 2.032 121.096 119.070 -0.010 0.000 3.681 2 H HA 0.320 4.876 4.556 -0.000 0.000 0.242 2 H C -1.288 174.009 175.328 -0.052 0.000 1.428 2 H CA 0.623 56.652 56.048 -0.031 0.000 1.560 2 H CB -0.657 29.088 29.762 -0.028 0.000 1.762 2 H HN 0.378 nan 8.280 nan 0.000 0.592 3 A N 5.664 128.540 122.820 0.093 0.000 2.456 3 A HA 0.465 4.785 4.320 -0.000 0.000 0.288 3 A C -1.382 176.197 177.584 -0.009 0.000 1.042 3 A CA -0.716 51.343 52.037 0.037 0.000 0.738 3 A CB 0.811 19.825 19.000 0.024 0.000 1.266 3 A HN 0.409 nan 8.150 nan 0.000 0.407 4 L N 1.936 123.140 121.223 -0.032 0.000 2.329 4 L HA 0.753 5.093 4.340 -0.000 0.000 0.279 4 L C 0.920 177.721 176.870 -0.115 0.000 1.014 4 L CA -0.219 54.574 54.840 -0.078 0.000 0.814 4 L CB 2.083 44.091 42.059 -0.085 0.000 1.257 4 L HN 0.805 nan 8.230 nan 0.000 0.424 5 G N 0.378 109.068 108.800 -0.182 0.000 2.412 5 G HA2 0.593 4.553 3.960 -0.000 0.000 0.318 5 G HA3 0.593 4.553 3.960 -0.000 0.000 0.318 5 G C -0.957 173.727 174.900 -0.359 0.000 1.146 5 G CA -0.200 44.806 45.100 -0.156 0.000 0.882 5 G HN 0.559 nan 8.290 nan 0.000 0.501 6 H N -0.227 118.877 119.070 0.057 0.000 2.947 6 H HA 0.190 4.746 4.556 -0.000 0.000 0.354 6 H C -1.008 174.417 175.328 0.161 0.000 1.085 6 H CA -0.523 55.594 56.048 0.116 0.000 1.253 6 H CB 1.899 31.745 29.762 0.139 0.000 1.757 6 H HN 0.452 nan 8.280 nan 0.000 0.523 7 C N 3.118 122.578 119.300 0.266 0.000 2.700 7 C HA 0.070 4.530 4.460 -0.000 0.000 0.529 7 C C 1.379 176.514 174.990 0.241 0.000 1.093 7 C CA -0.504 58.641 59.018 0.211 0.000 1.320 7 C CB -1.826 25.987 27.740 0.122 0.000 1.478 7 C HN 0.654 nan 8.230 nan 0.000 0.598 8 C N 2.742 122.223 119.300 0.302 0.000 2.523 8 C HA 0.281 4.741 4.460 -0.000 0.000 0.406 8 C C 0.810 175.867 174.990 0.112 0.000 1.449 8 C CA 1.186 60.291 59.018 0.145 0.000 1.588 8 C CB -0.946 26.977 27.740 0.305 0.000 2.514 8 C HN 0.801 nan 8.230 nan 0.000 0.606 9 T N 6.204 120.713 114.554 -0.076 0.000 2.890 9 T HA 0.361 4.711 4.350 -0.000 0.000 0.295 9 T C -0.511 174.085 174.700 -0.174 0.000 0.993 9 T CA -0.316 61.784 62.100 0.001 0.000 0.979 9 T CB 1.198 70.138 68.868 0.121 0.000 0.967 9 T HN 0.549 nan 8.240 nan 0.000 0.441 10 V N 4.422 124.246 119.914 -0.150 0.000 2.432 10 V HA 0.412 4.532 4.120 -0.000 0.000 0.275 10 V C -0.016 175.937 176.094 -0.234 0.000 1.043 10 V CA -0.507 61.619 62.300 -0.290 0.000 0.925 10 V CB 1.431 33.102 31.823 -0.253 0.000 0.985 10 V HN 0.668 nan 8.190 nan 0.000 0.466 11 V N 5.110 124.850 119.914 -0.289 0.000 2.378 11 V HA 0.528 4.648 4.120 -0.000 0.000 0.288 11 V C 0.375 176.340 176.094 -0.215 0.000 1.016 11 V CA -0.351 61.845 62.300 -0.174 0.000 0.840 11 V CB 1.816 33.626 31.823 -0.022 0.000 0.994 11 V HN 1.032 nan 8.190 nan 0.000 0.431 12 T N 0.450 114.918 114.554 -0.144 0.000 2.922 12 T HA 0.255 4.605 4.350 -0.000 0.000 0.281 12 T C 1.212 175.881 174.700 -0.051 0.000 1.005 12 T CA -0.010 62.029 62.100 -0.103 0.000 0.982 12 T CB 1.510 70.354 68.868 -0.039 0.000 1.158 12 T HN 0.410 nan 8.240 nan 0.000 0.566 13 T N 0.787 115.323 114.554 -0.029 0.000 2.822 13 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 13 T C 1.753 176.449 174.700 -0.006 0.000 1.064 13 T CA 1.737 63.828 62.100 -0.014 0.000 1.131 13 T CB -0.355 68.508 68.868 -0.008 0.000 0.858 13 T HN 0.749 nan 8.240 nan 0.000 0.483 14 R N 0.649 121.148 120.500 -0.002 0.000 2.334 14 R HA 0.494 4.834 4.340 -0.000 0.000 0.216 14 R C 0.927 177.226 176.300 -0.002 0.000 0.905 14 R CA 0.069 56.172 56.100 0.006 0.000 1.064 14 R CB 0.339 30.650 30.300 0.017 0.000 1.046 14 R HN 0.293 nan 8.270 nan 0.000 0.508 15 G N 1.230 110.020 108.800 -0.016 0.000 2.351 15 G HA2 0.014 3.974 3.960 -0.000 0.000 0.353 15 G HA3 0.014 3.974 3.960 -0.000 0.000 0.353 15 G C -3.285 171.580 174.900 -0.058 0.000 1.358 15 G CA -1.095 43.989 45.100 -0.028 0.000 0.995 15 G HN 0.008 nan 8.290 nan 0.000 0.611 16 P HA 0.606 nan 4.420 nan 0.000 0.290 16 P C -0.795 176.322 177.300 -0.305 0.000 1.275 16 P CA -0.516 62.471 63.100 -0.189 0.000 0.841 16 P CB 2.113 33.699 31.700 -0.190 0.000 1.042 17 S N 1.475 116.981 115.700 -0.323 0.000 2.532 17 S HA 0.439 4.909 4.470 -0.000 0.000 0.299 17 S C -0.864 173.549 174.600 -0.311 0.000 1.105 17 S CA -0.575 57.466 58.200 -0.265 0.000 1.018 17 S CB 0.188 63.425 63.200 0.061 0.000 1.021 17 S HN 0.352 nan 8.310 nan 0.000 0.483 18 H N 2.894 121.892 119.070 -0.121 0.000 2.457 18 H HA 0.460 5.016 4.556 -0.000 0.000 0.335 18 H C -1.144 174.024 175.328 -0.265 0.000 1.115 18 H CA -0.315 55.688 56.048 -0.074 0.000 1.219 18 H CB 0.950 30.665 29.762 -0.079 0.000 1.471 18 H HN 0.591 nan 8.280 nan 0.000 0.491 19 W N 1.749 123.132 121.300 0.139 0.000 3.033 19 W HA 0.327 4.987 4.660 -0.000 0.000 0.336 19 W C -0.862 175.747 176.519 0.151 0.000 1.173 19 W CA -0.801 56.627 57.345 0.139 0.000 1.185 19 W CB 1.406 30.966 29.460 0.166 0.000 1.425 19 W HN 0.299 nan 8.180 nan 0.000 0.536 20 L N 4.114 125.560 121.223 0.371 0.000 2.276 20 L HA 0.582 4.922 4.340 -0.000 0.000 0.286 20 L C -0.958 176.044 176.870 0.220 0.000 1.024 20 L CA -0.816 54.166 54.840 0.238 0.000 0.826 20 L CB 0.173 42.301 42.059 0.114 0.000 1.211 20 L HN 0.381 nan 8.230 nan 0.000 0.422 21 L N 6.170 127.505 121.223 0.187 0.000 2.305 21 L HA 0.511 4.851 4.340 -0.000 0.000 0.281 21 L C -1.173 175.670 176.870 -0.045 0.000 1.085 21 L CA 0.146 54.946 54.840 -0.067 0.000 0.813 21 L CB 0.780 42.846 42.059 0.011 0.000 1.157 21 L HN 0.595 nan 8.230 nan 0.000 0.436 22 L N 6.746 127.869 121.223 -0.168 0.000 2.325 22 L HA 0.509 4.849 4.340 -0.000 0.000 0.281 22 L C -0.719 176.098 176.870 -0.088 0.000 1.004 22 L CA -0.473 54.323 54.840 -0.075 0.000 0.823 22 L CB 1.472 43.502 42.059 -0.049 0.000 1.236 22 L HN 0.580 nan 8.230 nan 0.000 0.415 23 L N 2.766 123.976 121.223 -0.021 0.000 2.342 23 L HA 0.380 4.720 4.340 -0.000 0.000 0.271 23 L C 0.356 177.202 176.870 -0.039 0.000 1.008 23 L CA -0.606 54.214 54.840 -0.033 0.000 0.818 23 L CB 2.246 44.306 42.059 0.000 0.000 1.296 23 L HN 0.625 nan 8.230 nan 0.000 0.427 24 D N -0.667 119.695 120.400 -0.063 0.000 2.342 24 D HA 0.043 4.683 4.640 -0.000 0.000 0.221 24 D C -0.120 176.050 176.300 -0.216 0.000 1.101 24 D CA -0.030 53.904 54.000 -0.110 0.000 0.837 24 D CB 0.458 41.189 40.800 -0.114 0.000 0.938 24 D HN 0.312 nan 8.370 nan 0.000 0.508 25 T N 0.288 114.747 114.554 -0.159 0.000 2.886 25 T HA 0.177 4.527 4.350 -0.000 0.000 0.292 25 T C -0.645 173.977 174.700 -0.130 0.000 1.012 25 T CA -0.640 61.365 62.100 -0.158 0.000 0.982 25 T CB 1.572 70.389 68.868 -0.086 0.000 1.018 25 T HN 0.084 nan 8.240 nan 0.000 0.451 26 H N 3.894 123.004 119.070 0.067 0.000 3.086 26 H HA 0.169 4.725 4.556 -0.000 0.000 0.265 26 H C 0.395 175.749 175.328 0.043 0.000 1.092 26 H CA 0.054 56.143 56.048 0.068 0.000 1.487 26 H CB 0.391 30.192 29.762 0.065 0.000 1.514 26 H HN 0.402 nan 8.280 nan 0.000 0.497 27 L N 2.564 123.871 121.223 0.140 0.000 2.910 27 L HA 0.169 4.509 4.340 -0.000 0.000 0.252 27 L C 1.556 178.477 176.870 0.084 0.000 1.195 27 L CA -0.009 54.870 54.840 0.064 0.000 1.003 27 L CB 0.274 42.311 42.059 -0.037 0.000 1.328 27 L HN 0.850 nan 8.230 nan 0.000 0.540 28 G N 1.465 110.349 108.800 0.141 0.000 2.614 28 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.303 28 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.303 28 G C 0.274 175.277 174.900 0.172 0.000 1.270 28 G CA 0.405 45.585 45.100 0.132 0.000 0.988 28 G HN 0.375 nan 8.290 nan 0.000 0.551 29 T N -0.509 114.118 114.554 0.122 0.000 2.909 29 T HA 0.658 5.008 4.350 -0.000 0.000 0.286 29 T C 0.315 175.019 174.700 0.006 0.000 1.002 29 T CA -0.631 61.537 62.100 0.115 0.000 1.074 29 T CB 1.578 70.509 68.868 0.104 0.000 0.984 29 T HN 0.748 nan 8.240 nan 0.000 0.495 30 L N 3.724 124.884 121.223 -0.105 0.000 2.272 30 L HA 0.407 4.747 4.340 -0.000 0.000 0.289 30 L C -1.984 174.877 176.870 -0.015 0.000 1.032 30 L CA -2.450 52.245 54.840 -0.242 0.000 0.810 30 L CB 1.228 42.778 42.059 -0.848 0.000 1.205 30 L HN 0.495 nan 8.230 nan 0.000 0.422 31 P HA 0.033 nan 4.420 nan 0.000 0.267 31 P C 0.183 177.530 177.300 0.078 0.000 1.209 31 P CA -0.055 63.059 63.100 0.025 0.000 0.763 31 P CB 0.820 32.581 31.700 0.100 0.000 0.816 32 G N 3.353 112.017 108.800 -0.227 0.000 2.614 32 G HA2 0.404 4.364 3.960 -0.000 0.000 0.239 32 G HA3 0.404 4.364 3.960 -0.000 0.000 0.239 32 G C -0.533 173.734 174.900 -1.055 0.000 1.240 32 G CA -0.352 44.392 45.100 -0.592 0.000 0.842 32 G HN 0.562 nan 8.290 nan 0.000 0.584 33 F N -1.365 118.122 119.950 -0.771 0.000 2.643 33 F HA 0.792 5.319 4.527 -0.000 0.000 0.314 33 F C -0.465 175.298 175.800 -0.061 0.000 1.096 33 F CA -1.688 56.077 58.000 -0.391 0.000 0.953 33 F CB 1.850 40.650 39.000 -0.334 0.000 1.345 33 F HN 0.598 nan 8.300 nan 0.000 0.468 34 K N 1.393 121.972 120.400 0.298 0.000 2.397 34 K HA 0.715 5.035 4.320 -0.000 0.000 0.253 34 K C -1.314 175.430 176.600 0.240 0.000 0.932 34 K CA -0.987 55.378 56.287 0.130 0.000 0.795 34 K CB 2.410 34.967 32.500 0.095 0.000 1.159 34 K HN 0.846 nan 8.250 nan 0.000 0.424 35 V N -0.360 119.656 119.914 0.170 0.000 2.481 35 V HA 0.360 4.480 4.120 -0.000 0.000 0.286 35 V C 0.451 176.696 176.094 0.252 0.000 1.042 35 V CA -0.682 61.790 62.300 0.286 0.000 0.928 35 V CB 1.239 33.284 31.823 0.370 0.000 0.986 35 V HN 0.921 nan 8.190 nan 0.000 0.462 36 S N 4.225 120.128 115.700 0.338 0.000 2.600 36 S HA 0.575 5.045 4.470 -0.000 0.000 0.265 36 S C 0.748 175.561 174.600 0.355 0.000 1.325 36 S CA -0.012 58.377 58.200 0.316 0.000 1.002 36 S CB 0.673 64.068 63.200 0.325 0.000 0.921 36 S HN 2.200 nan 8.310 nan 0.000 0.554 37 A N 2.502 125.481 122.820 0.265 0.000 2.591 37 A HA 0.445 4.765 4.320 -0.000 0.000 0.244 37 A C 0.875 178.634 177.584 0.292 0.000 1.031 37 A CA 0.471 52.641 52.037 0.222 0.000 0.767 37 A CB -1.089 18.008 19.000 0.161 0.000 0.942 37 A HN 1.167 nan 8.150 nan 0.000 0.514 38 G N 1.500 110.367 108.800 0.110 0.000 2.521 38 G HA2 0.514 4.474 3.960 -0.000 0.000 0.323 38 G HA3 0.514 4.474 3.960 -0.000 0.000 0.323 38 G C -0.177 174.568 174.900 -0.258 0.000 1.211 38 G CA -1.038 43.984 45.100 -0.130 0.000 0.979 38 G HN 0.717 nan 8.290 nan 0.000 0.490 39 R N 0.237 120.404 120.500 -0.555 0.000 3.641 39 R HA 0.401 4.741 4.340 -0.000 0.000 0.189 39 R C 1.252 177.401 176.300 -0.252 0.000 1.706 39 R CA 0.505 56.369 56.100 -0.394 0.000 1.311 39 R CB -0.191 29.808 30.300 -0.502 0.000 1.330 39 R HN 1.098 nan 8.270 nan 0.000 0.727 40 G N -0.047 108.655 108.800 -0.163 0.000 2.179 40 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 40 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 40 G C -0.236 174.575 174.900 -0.148 0.000 0.977 40 G CA 0.362 45.383 45.100 -0.130 0.000 0.641 40 G HN 0.391 nan 8.290 nan 0.000 0.533 41 L N -1.883 119.234 121.223 -0.178 0.000 2.354 41 L HA 0.956 5.296 4.340 -0.000 0.000 0.264 41 L C -2.145 174.714 176.870 -0.018 0.000 1.008 41 L CA -2.868 51.869 54.840 -0.172 0.000 0.819 41 L CB 1.214 43.004 42.059 -0.448 0.000 1.339 41 L HN -0.078 nan 8.230 nan 0.000 0.420 42 P HA 0.321 nan 4.420 nan 0.000 0.279 42 P C -0.812 176.619 177.300 0.219 0.000 1.282 42 P CA -0.494 62.676 63.100 0.117 0.000 0.788 42 P CB 0.715 32.467 31.700 0.087 0.000 1.139 43 A N -0.039 122.858 122.820 0.129 0.000 2.445 43 A HA 0.514 4.834 4.320 -0.000 0.000 0.242 43 A C 0.254 177.837 177.584 -0.003 0.000 1.075 43 A CA 0.458 52.559 52.037 0.107 0.000 0.777 43 A CB -0.841 18.200 19.000 0.069 0.000 1.013 43 A HN 0.735 nan 8.150 nan 0.000 0.493 44 A N 1.782 124.517 122.820 -0.142 0.000 2.593 44 A HA 0.757 5.077 4.320 -0.000 0.000 0.290 44 A C -1.211 176.142 177.584 -0.384 0.000 1.126 44 A CA -0.722 51.068 52.037 -0.412 0.000 0.695 44 A CB 1.153 19.511 19.000 -1.071 0.000 1.290 44 A HN 0.748 nan 8.150 nan 0.000 0.414 45 E N -0.265 119.660 120.200 -0.458 0.000 2.234 45 E HA 0.562 4.912 4.350 -0.000 0.000 0.266 45 E C -1.319 174.796 176.600 -0.809 0.000 0.877 45 E CA -0.584 55.493 56.400 -0.539 0.000 0.758 45 E CB 2.198 31.613 29.700 -0.474 0.000 1.170 45 E HN 0.369 nan 8.360 nan 0.000 0.415 46 V N 3.570 122.877 119.914 -1.012 0.000 2.357 46 V HA 0.389 4.509 4.120 -0.000 0.000 0.284 46 V C -1.123 174.280 176.094 -1.152 0.000 1.018 46 V CA -0.834 60.772 62.300 -1.157 0.000 0.841 46 V CB 0.079 30.980 31.823 -1.536 0.000 0.991 46 V HN 0.585 nan 8.190 nan 0.000 0.437 47 Y N 4.358 124.308 120.300 -0.584 0.000 2.377 47 Y HA 0.723 5.273 4.550 -0.000 0.000 0.339 47 Y C -0.216 175.356 175.900 -0.546 0.000 1.011 47 Y CA -0.890 56.979 58.100 -0.385 0.000 1.093 47 Y CB 1.365 39.752 38.460 -0.121 0.000 1.201 47 Y HN 0.493 nan 8.280 nan 0.000 0.455 48 F N 1.029 121.025 119.950 0.076 0.000 2.497 48 F HA 0.640 5.167 4.527 -0.000 0.000 0.331 48 F C -0.441 175.424 175.800 0.108 0.000 1.060 48 F CA -1.146 56.902 58.000 0.080 0.000 0.989 48 F CB 1.856 40.869 39.000 0.021 0.000 1.245 48 F HN 0.473 nan 8.300 nan 0.000 0.486 49 E N 0.351 120.759 120.200 0.348 0.000 2.397 49 E HA 0.622 4.972 4.350 -0.000 0.000 0.293 49 E C -1.647 175.100 176.600 0.246 0.000 0.930 49 E CA -1.195 55.350 56.400 0.242 0.000 0.793 49 E CB 1.215 30.990 29.700 0.125 0.000 1.259 49 E HN 0.727 nan 8.360 nan 0.000 0.406 50 A N 2.561 125.518 122.820 0.229 0.000 2.507 50 A HA 0.592 4.912 4.320 -0.000 0.000 0.235 50 A C 0.576 178.146 177.584 -0.023 0.000 1.070 50 A CA 0.869 52.933 52.037 0.045 0.000 0.768 50 A CB 0.439 19.456 19.000 0.028 0.000 1.011 50 A HN 0.856 nan 8.150 nan 0.000 0.502 51 G N 0.236 108.967 108.800 -0.114 0.000 3.107 51 G HA2 0.697 4.657 3.960 -0.000 0.000 0.233 51 G HA3 0.697 4.657 3.960 -0.000 0.000 0.233 51 G C -2.586 172.270 174.900 -0.075 0.000 1.168 51 G CA -0.388 44.673 45.100 -0.064 0.000 0.801 51 G HN 0.729 nan 8.290 nan 0.000 0.605 52 P HA 0.241 nan 4.420 nan 0.000 0.271 52 P C -0.521 176.745 177.300 -0.055 0.000 1.244 52 P CA -0.221 62.852 63.100 -0.045 0.000 0.793 52 P CB 0.831 32.510 31.700 -0.035 0.000 0.984 53 R N -0.026 120.451 120.500 -0.038 0.000 2.893 53 R HA 0.220 4.560 4.340 -0.000 0.000 0.317 53 R C 0.097 176.379 176.300 -0.030 0.000 1.239 53 R CA -0.697 55.383 56.100 -0.033 0.000 1.128 53 R CB -0.319 29.973 30.300 -0.013 0.000 1.377 53 R HN 0.272 nan 8.270 nan 0.000 0.583 54 V N 2.641 122.537 119.914 -0.031 0.000 3.050 54 V HA -0.207 3.913 4.120 -0.000 0.000 0.283 54 V C 0.302 176.387 176.094 -0.015 0.000 1.384 54 V CA 0.793 63.080 62.300 -0.022 0.000 1.419 54 V CB 0.050 31.861 31.823 -0.020 0.000 0.820 54 V HN 0.610 nan 8.190 nan 0.000 0.463 55 S N 7.809 123.502 115.700 -0.012 0.000 2.565 55 S HA 0.813 5.283 4.470 -0.000 0.000 0.290 55 S C -0.812 173.789 174.600 0.001 0.000 1.150 55 S CA -0.971 57.225 58.200 -0.006 0.000 1.058 55 S CB 1.767 64.961 63.200 -0.009 0.000 1.032 55 S HN 0.795 nan 8.310 nan 0.000 0.510 56 L N 2.639 123.868 121.223 0.010 0.000 2.436 56 L HA 0.488 4.828 4.340 -0.000 0.000 0.268 56 L C 0.156 177.037 176.870 0.018 0.000 0.974 56 L CA -0.765 54.084 54.840 0.015 0.000 0.826 56 L CB 2.546 44.619 42.059 0.022 0.000 1.291 56 L HN 0.961 nan 8.230 nan 0.000 0.406 57 S N 1.560 117.270 115.700 0.017 0.000 2.592 57 S HA 0.260 4.730 4.470 -0.000 0.000 0.271 57 S C 1.018 175.632 174.600 0.024 0.000 1.326 57 S CA -0.571 57.639 58.200 0.018 0.000 1.024 57 S CB 1.678 64.887 63.200 0.015 0.000 0.921 57 S HN 0.781 nan 8.310 nan 0.000 0.527 58 R N 1.058 121.573 120.500 0.025 0.000 2.119 58 R HA -0.163 4.177 4.340 -0.000 0.000 0.246 58 R C 1.831 178.149 176.300 0.030 0.000 1.146 58 R CA 2.378 58.495 56.100 0.028 0.000 0.962 58 R CB -1.329 28.986 30.300 0.026 0.000 0.863 58 R HN 0.860 nan 8.270 nan 0.000 0.442 59 T N 0.697 115.267 114.554 0.027 0.000 2.788 59 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 59 T C 1.097 175.816 174.700 0.032 0.000 1.044 59 T CA 1.514 63.630 62.100 0.028 0.000 1.139 59 T CB -0.257 68.625 68.868 0.023 0.000 0.867 59 T HN 0.361 nan 8.240 nan 0.000 0.454 60 D N 1.272 121.689 120.400 0.029 0.000 2.162 60 D HA 0.105 4.745 4.640 -0.000 0.000 0.203 60 D C 2.389 178.713 176.300 0.041 0.000 0.967 60 D CA 0.967 54.986 54.000 0.030 0.000 0.840 60 D CB -0.431 40.382 40.800 0.021 0.000 0.972 60 D HN 0.398 nan 8.370 nan 0.000 0.482 61 A N 0.800 123.645 122.820 0.042 0.000 1.972 61 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 61 A C 2.303 179.926 177.584 0.065 0.000 1.169 61 A CA 2.300 54.369 52.037 0.053 0.000 0.635 61 A CB -0.828 18.201 19.000 0.048 0.000 0.810 61 A HN 0.377 nan 8.150 nan 0.000 0.446 62 T N -2.509 112.080 114.554 0.059 0.000 3.043 62 T HA 0.121 4.471 4.350 -0.000 0.000 0.263 62 T C 1.711 176.457 174.700 0.076 0.000 1.094 62 T CA 0.993 63.132 62.100 0.065 0.000 1.127 62 T CB -0.424 68.475 68.868 0.052 0.000 0.905 62 T HN 0.337 nan 8.240 nan 0.000 0.490 63 I N 1.162 121.775 120.570 0.072 0.000 2.353 63 I HA -0.087 4.083 4.170 -0.000 0.000 0.248 63 I C 2.569 178.756 176.117 0.117 0.000 1.119 63 I CA 0.555 61.906 61.300 0.084 0.000 1.417 63 I CB -0.325 37.713 38.000 0.063 0.000 1.078 63 I HN 0.110 nan 8.210 nan 0.000 0.421 64 V N 1.264 121.243 119.914 0.110 0.000 2.255 64 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 64 V C 2.817 179.026 176.094 0.191 0.000 1.051 64 V CA 2.080 64.469 62.300 0.148 0.000 1.018 64 V CB -1.227 30.667 31.823 0.118 0.000 0.641 64 V HN 0.510 nan 8.190 nan 0.000 0.445 65 A N -0.135 122.774 122.820 0.149 0.000 1.958 65 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 65 A C 2.390 180.058 177.584 0.141 0.000 1.178 65 A CA 2.439 54.563 52.037 0.145 0.000 0.642 65 A CB -0.814 18.251 19.000 0.109 0.000 0.816 65 A HN 0.376 nan 8.150 nan 0.000 0.453 66 V N -1.827 118.170 119.914 0.137 0.000 2.261 66 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 66 V C 2.305 178.486 176.094 0.145 0.000 1.047 66 V CA 2.124 64.499 62.300 0.124 0.000 1.015 66 V CB -1.122 30.775 31.823 0.124 0.000 0.642 66 V HN 0.685 nan 8.190 nan 0.000 0.446 67 Y N 0.806 121.161 120.300 0.091 0.000 2.165 67 Y HA -0.325 4.225 4.550 -0.000 0.000 0.286 67 Y C 2.722 178.675 175.900 0.088 0.000 1.155 67 Y CA 2.133 60.303 58.100 0.116 0.000 1.164 67 Y CB -0.288 38.256 38.460 0.141 0.000 0.978 67 Y HN 0.213 nan 8.280 nan 0.000 0.513 68 Q N 0.122 120.016 119.800 0.157 0.000 2.062 68 Q HA -0.239 4.101 4.340 -0.000 0.000 0.209 68 Q C 2.662 178.459 176.000 -0.338 0.000 0.996 68 Q CA 2.585 58.341 55.803 -0.079 0.000 0.859 68 Q CB -0.977 27.807 28.738 0.078 0.000 0.920 68 Q HN 0.628 nan 8.270 nan 0.000 0.415 69 S N -0.439 115.233 115.700 -0.048 0.000 2.423 69 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 69 S C 1.873 176.391 174.600 -0.138 0.000 1.014 69 S CA 0.952 59.169 58.200 0.029 0.000 0.965 69 S CB -0.369 62.863 63.200 0.054 0.000 0.785 69 S HN 0.291 nan 8.310 nan 0.000 0.495 70 I N 1.899 122.346 120.570 -0.204 0.000 2.226 70 I HA -0.110 4.059 4.170 -0.000 0.000 0.245 70 I C 2.452 178.338 176.117 -0.385 0.000 1.100 70 I CA 1.113 62.243 61.300 -0.283 0.000 1.374 70 I CB -1.218 36.625 38.000 -0.262 0.000 1.057 70 I HN 0.340 nan 8.210 nan 0.000 0.413 71 L N -0.187 120.780 121.223 -0.426 0.000 2.056 71 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 71 L C 2.663 179.310 176.870 -0.373 0.000 1.078 71 L CA 1.456 56.073 54.840 -0.372 0.000 0.749 71 L CB -0.712 41.187 42.059 -0.266 0.000 0.901 71 L HN 0.063 nan 8.230 nan 0.000 0.433 72 F N -0.075 119.694 119.950 -0.301 0.000 2.171 72 F HA -0.270 4.257 4.527 -0.000 0.000 0.300 72 F C 2.836 178.431 175.800 -0.342 0.000 1.090 72 F CA 1.122 58.909 58.000 -0.356 0.000 1.293 72 F CB -0.196 38.575 39.000 -0.381 0.000 1.013 72 F HN 0.134 nan 8.300 nan 0.000 0.486 73 Q N 0.824 120.467 119.800 -0.261 0.000 2.050 73 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 73 Q C 2.186 177.833 176.000 -0.587 0.000 0.980 73 Q CA 1.472 56.931 55.803 -0.574 0.000 0.840 73 Q CB -0.208 28.032 28.738 -0.829 0.000 0.898 73 Q HN 0.446 nan 8.270 nan 0.000 0.424 74 L N 0.302 121.262 121.223 -0.438 0.000 2.187 74 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 74 L C 2.268 179.082 176.870 -0.094 0.000 1.100 74 L CA 0.705 55.404 54.840 -0.235 0.000 0.765 74 L CB -0.380 41.512 42.059 -0.277 0.000 0.904 74 L HN 0.320 nan 8.230 nan 0.000 0.437 75 L N -0.510 120.666 121.223 -0.078 0.000 2.201 75 L HA 0.022 4.362 4.340 -0.000 0.000 0.212 75 L C 1.124 178.108 176.870 0.190 0.000 1.105 75 L CA 0.624 55.501 54.840 0.062 0.000 0.775 75 L CB -0.564 41.522 42.059 0.045 0.000 0.913 75 L HN 0.495 nan 8.230 nan 0.000 0.440 76 G N -1.083 107.751 108.800 0.056 0.000 2.612 76 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 76 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 76 G C -2.451 172.452 174.900 0.006 0.000 1.274 76 G CA -0.498 44.629 45.100 0.045 0.000 0.849 76 G HN -0.068 nan 8.290 nan 0.000 0.595 77 P HA 0.069 nan 4.420 nan 0.000 0.237 77 P C 1.782 179.014 177.300 -0.113 0.000 1.178 77 P CA 1.829 64.895 63.100 -0.056 0.000 0.766 77 P CB -0.012 31.677 31.700 -0.019 0.000 0.876 78 T N -4.003 110.432 114.554 -0.198 0.000 3.055 78 T HA 0.028 4.378 4.350 -0.000 0.000 0.265 78 T C 0.276 174.675 174.700 -0.501 0.000 1.111 78 T CA 0.534 62.401 62.100 -0.389 0.000 1.118 78 T CB -0.590 67.936 68.868 -0.571 0.000 0.909 78 T HN -0.105 nan 8.240 nan 0.000 0.501 79 F N 3.005 122.898 119.950 -0.095 0.000 2.444 79 F HA 0.471 4.998 4.527 -0.000 0.000 0.342 79 F C -2.292 173.386 175.800 -0.203 0.000 1.121 79 F CA -3.277 54.654 58.000 -0.115 0.000 0.997 79 F CB 1.085 40.040 39.000 -0.075 0.000 1.130 79 F HN -0.155 nan 8.300 nan 0.000 0.454 80 P HA 0.101 nan 4.420 nan 0.000 0.267 80 P C -0.394 176.602 177.300 -0.506 0.000 1.205 80 P CA -0.206 62.766 63.100 -0.214 0.000 0.765 80 P CB 0.930 32.533 31.700 -0.161 0.000 0.828 81 A N 2.258 124.667 122.820 -0.685 0.000 2.900 81 A HA 0.313 4.633 4.320 -0.000 0.000 0.246 81 A C 0.616 177.257 177.584 -1.572 0.000 1.725 81 A CA 0.242 51.406 52.037 -1.455 0.000 1.400 81 A CB -1.134 17.366 19.000 -0.833 0.000 0.973 81 A HN 0.505 nan 8.150 nan 0.000 0.635 82 S N -1.589 113.367 115.700 -1.241 0.000 2.566 82 S HA 0.378 4.848 4.470 -0.000 0.000 0.273 82 S C 0.087 174.529 174.600 -0.263 0.000 1.157 82 S CA -0.670 57.174 58.200 -0.594 0.000 0.938 82 S CB 0.426 63.459 63.200 -0.279 0.000 1.087 82 S HN 0.507 nan 8.310 nan 0.000 0.474 83 W N 2.527 123.970 121.300 0.238 0.000 2.388 83 W HA -0.056 4.604 4.660 -0.000 0.000 0.294 83 W C 2.390 178.960 176.519 0.085 0.000 1.212 83 W CA 1.186 58.669 57.345 0.230 0.000 1.271 83 W CB -0.419 29.201 29.460 0.268 0.000 1.126 83 W HN 0.657 nan 8.180 nan 0.000 0.535 84 T N 0.016 114.720 114.554 0.249 0.000 2.652 84 T HA -0.275 4.075 4.350 -0.000 0.000 0.267 84 T C 1.456 176.150 174.700 -0.011 0.000 1.039 84 T CA 1.657 63.817 62.100 0.100 0.000 1.153 84 T CB -0.454 68.442 68.868 0.046 0.000 0.863 84 T HN 0.217 nan 8.240 nan 0.000 0.428 85 E N 0.179 120.346 120.200 -0.055 0.000 2.209 85 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 85 E C 2.076 178.658 176.600 -0.029 0.000 0.993 85 E CA 0.640 56.983 56.400 -0.096 0.000 0.819 85 E CB -0.196 29.427 29.700 -0.129 0.000 0.745 85 E HN 0.514 nan 8.360 nan 0.000 0.477 86 I N -0.121 120.476 120.570 0.046 0.000 2.202 86 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 86 I C 2.478 178.653 176.117 0.097 0.000 1.091 86 I CA 1.229 62.601 61.300 0.119 0.000 1.368 86 I CB -0.407 37.723 38.000 0.217 0.000 1.058 86 I HN 0.169 nan 8.210 nan 0.000 0.410 87 G N 0.233 109.083 108.800 0.084 0.000 2.394 87 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.214 87 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.214 87 G C 1.630 176.542 174.900 0.021 0.000 1.176 87 G CA 0.576 45.696 45.100 0.033 0.000 0.786 87 G HN 0.467 nan 8.290 nan 0.000 0.533 88 A N 0.501 123.297 122.820 -0.041 0.000 2.258 88 A HA 0.299 4.619 4.320 -0.000 0.000 0.206 88 A C 1.882 179.439 177.584 -0.046 0.000 1.222 88 A CA 1.842 53.795 52.037 -0.140 0.000 0.822 88 A CB -0.568 18.095 19.000 -0.561 0.000 0.804 88 A HN 0.532 nan 8.150 nan 0.000 0.483 89 T N -4.266 110.303 114.554 0.025 0.000 3.209 89 T HA 0.421 4.771 4.350 -0.000 0.000 0.295 89 T C 0.329 175.100 174.700 0.119 0.000 0.977 89 T CA -0.437 61.701 62.100 0.064 0.000 0.922 89 T CB -0.659 68.221 68.868 0.021 0.000 1.152 89 T HN 0.238 nan 8.240 nan 0.000 0.527 90 M N 3.697 123.377 119.600 0.134 0.000 2.240 90 M HA 0.186 4.666 4.480 -0.000 0.000 0.346 90 M C -2.017 174.448 176.300 0.275 0.000 1.236 90 M CA -1.037 54.347 55.300 0.140 0.000 0.986 90 M CB -0.199 32.384 32.600 -0.028 0.000 1.786 90 M HN 0.055 nan 8.290 nan 0.000 0.457 91 P HA -0.050 nan 4.420 nan 0.000 0.268 91 P C -0.175 177.373 177.300 0.413 0.000 1.205 91 P CA 0.385 63.633 63.100 0.246 0.000 0.771 91 P CB 0.270 32.062 31.700 0.154 0.000 0.858 92 H N 1.918 121.112 119.070 0.206 0.000 2.390 92 H HA -0.146 4.410 4.556 -0.000 0.000 0.298 92 H C 1.739 177.226 175.328 0.265 0.000 1.106 92 H CA 1.221 57.403 56.048 0.224 0.000 1.297 92 H CB -0.056 29.727 29.762 0.035 0.000 1.375 92 H HN 0.591 nan 8.280 nan 0.000 0.509 93 N N 1.614 120.483 118.700 0.283 0.000 2.635 93 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 93 N C 0.823 176.428 175.510 0.158 0.000 1.155 93 N CA 0.744 53.898 53.050 0.173 0.000 0.927 93 N CB -0.072 38.474 38.487 0.098 0.000 0.976 93 N HN 0.582 nan 8.380 nan 0.000 0.448 94 E N -0.568 119.761 120.200 0.215 0.000 2.460 94 E HA 0.054 4.404 4.350 -0.000 0.000 0.200 94 E C -0.276 176.342 176.600 0.029 0.000 1.011 94 E CA -0.207 56.255 56.400 0.103 0.000 0.912 94 E CB 0.169 29.910 29.700 0.068 0.000 0.953 94 E HN 0.334 nan 8.360 nan 0.000 0.494 95 Y N 0.694 121.023 120.300 0.049 0.000 2.296 95 Y HA -0.018 4.532 4.550 -0.000 0.000 0.343 95 Y C 2.047 177.948 175.900 0.001 0.000 1.292 95 Y CA 0.446 58.569 58.100 0.038 0.000 1.490 95 Y CB 0.509 39.008 38.460 0.065 0.000 1.359 95 Y HN -0.217 nan 8.280 nan 0.000 0.599 96 T N 0.384 115.041 114.554 0.172 0.000 3.023 96 T HA 0.010 4.360 4.350 -0.000 0.000 0.266 96 T C -0.195 174.246 174.700 -0.431 0.000 1.093 96 T CA 1.037 63.060 62.100 -0.128 0.000 1.129 96 T CB -0.284 68.549 68.868 -0.059 0.000 0.899 96 T HN 0.307 nan 8.240 nan 0.000 0.491 97 F N 1.245 121.320 119.950 0.209 0.000 2.622 97 F HA 0.335 4.862 4.527 -0.000 0.000 0.338 97 F C -1.917 173.961 175.800 0.130 0.000 1.334 97 F CA -2.560 55.561 58.000 0.202 0.000 1.179 97 F CB 1.453 40.614 39.000 0.268 0.000 1.471 97 F HN -0.113 nan 8.300 nan 0.000 0.576 98 P HA -0.211 nan 4.420 nan 0.000 0.218 98 P C 1.271 178.565 177.300 -0.010 0.000 1.146 98 P CA 1.483 64.637 63.100 0.090 0.000 0.820 98 P CB 0.239 31.996 31.700 0.095 0.000 0.778 99 R N -1.782 118.674 120.500 -0.072 0.000 2.240 99 R HA 0.094 4.434 4.340 -0.000 0.000 0.203 99 R C 0.485 176.398 176.300 -0.645 0.000 1.011 99 R CA 0.549 56.406 56.100 -0.406 0.000 1.007 99 R CB -0.161 29.762 30.300 -0.629 0.000 0.911 99 R HN 0.225 nan 8.270 nan 0.000 0.468 100 F N 0.854 120.811 119.950 0.011 0.000 2.530 100 F HA 0.326 4.853 4.527 -0.000 0.000 0.318 100 F C -0.393 175.331 175.800 -0.127 0.000 1.356 100 F CA -0.857 57.113 58.000 -0.051 0.000 1.135 100 F CB 0.732 39.689 39.000 -0.073 0.000 1.315 100 F HN -0.227 nan 8.300 nan 0.000 0.549 101 I N 1.490 121.979 120.570 -0.135 0.000 2.294 101 I HA 0.161 4.331 4.170 -0.000 0.000 0.295 101 I C 0.234 176.238 176.117 -0.189 0.000 1.098 101 I CA 0.002 61.093 61.300 -0.348 0.000 1.277 101 I CB 0.180 37.728 38.000 -0.753 0.000 1.434 101 I HN 0.196 nan 8.210 nan 0.000 0.498 102 S N 6.278 121.907 115.700 -0.118 0.000 2.456 102 S HA 0.349 4.819 4.470 -0.000 0.000 0.316 102 S C 0.202 174.770 174.600 -0.054 0.000 1.089 102 S CA -0.819 57.346 58.200 -0.059 0.000 1.101 102 S CB 0.852 64.031 63.200 -0.035 0.000 0.995 102 S HN 0.441 nan 8.310 nan 0.000 0.468 103 N N 4.738 123.424 118.700 -0.023 0.000 2.406 103 N HA 0.164 4.904 4.740 -0.000 0.000 0.274 103 N C -2.541 172.908 175.510 -0.101 0.000 1.249 103 N CA -0.850 52.213 53.050 0.021 0.000 0.951 103 N CB 0.009 38.547 38.487 0.086 0.000 1.241 103 N HN 0.345 nan 8.380 nan 0.000 0.485 104 P HA 0.122 nan 4.420 nan 0.000 0.271 104 P C -1.489 175.507 177.300 -0.508 0.000 1.216 104 P CA -1.017 61.819 63.100 -0.440 0.000 0.776 104 P CB 0.497 31.823 31.700 -0.623 0.000 0.881 105 P HA -0.152 nan 4.420 nan 0.000 0.213 105 P C 0.215 177.390 177.300 -0.210 0.000 1.170 105 P CA 1.458 64.453 63.100 -0.175 0.000 0.898 105 P CB 0.225 31.860 31.700 -0.107 0.000 0.787 106 Q N -1.020 118.630 119.800 -0.250 0.000 2.256 106 Q HA 0.470 4.810 4.340 -0.000 0.000 0.232 106 Q C -0.525 175.204 176.000 -0.451 0.000 0.965 106 Q CA -0.314 55.376 55.803 -0.188 0.000 0.908 106 Q CB 0.721 29.392 28.738 -0.111 0.000 1.209 106 Q HN 0.061 nan 8.270 nan 0.000 0.489 107 F N -0.384 119.562 119.950 -0.007 0.000 2.593 107 F HA 0.581 5.108 4.527 -0.000 0.000 0.320 107 F C 0.129 175.920 175.800 -0.014 0.000 1.060 107 F CA -1.090 56.908 58.000 -0.003 0.000 0.940 107 F CB 1.317 40.326 39.000 0.016 0.000 1.268 107 F HN 0.536 nan 8.300 nan 0.000 0.475 108 A N 0.325 123.240 122.820 0.159 0.000 2.332 108 A HA 0.634 4.954 4.320 -0.000 0.000 0.258 108 A C -0.500 177.135 177.584 0.085 0.000 1.087 108 A CA -0.254 51.820 52.037 0.061 0.000 0.802 108 A CB 0.050 19.053 19.000 0.005 0.000 1.042 108 A HN 0.696 nan 8.150 nan 0.000 0.489 109 T N 2.385 116.964 114.554 0.041 0.000 2.842 109 T HA 0.529 4.879 4.350 -0.000 0.000 0.308 109 T C -0.264 174.454 174.700 0.031 0.000 1.041 109 T CA -0.166 61.972 62.100 0.064 0.000 0.964 109 T CB -0.062 68.837 68.868 0.051 0.000 0.972 109 T HN 0.587 nan 8.240 nan 0.000 0.460 110 L N 0.745 121.999 121.223 0.051 0.000 2.319 110 L HA 1.086 5.426 4.340 -0.000 0.000 0.267 110 L C -0.356 176.499 176.870 -0.025 0.000 1.011 110 L CA -1.424 53.353 54.840 -0.104 0.000 0.818 110 L CB 1.604 43.478 42.059 -0.308 0.000 1.316 110 L HN 0.601 nan 8.230 nan 0.000 0.432 111 A N 0.898 123.574 122.820 -0.239 0.000 2.549 111 A HA 0.856 5.176 4.320 -0.000 0.000 0.297 111 A C -1.580 175.792 177.584 -0.353 0.000 1.061 111 A CA -0.371 51.631 52.037 -0.058 0.000 0.690 111 A CB 1.310 20.377 19.000 0.112 0.000 1.287 111 A HN 0.556 nan 8.150 nan 0.000 0.402 112 F N 0.478 120.493 119.950 0.108 0.000 2.508 112 F HA 0.788 5.315 4.527 -0.000 0.000 0.325 112 F C -0.117 175.892 175.800 0.349 0.000 1.090 112 F CA -0.546 57.547 58.000 0.154 0.000 0.945 112 F CB 2.093 41.074 39.000 -0.032 0.000 1.156 112 F HN 0.419 nan 8.300 nan 0.000 0.463 113 L N 2.949 124.473 121.223 0.501 0.000 2.424 113 L HA 0.603 4.943 4.340 -0.000 0.000 0.258 113 L C -2.774 174.161 176.870 0.109 0.000 0.995 113 L CA -2.237 52.701 54.840 0.164 0.000 0.821 113 L CB 2.564 44.623 42.059 -0.000 0.000 1.383 113 L HN 0.306 nan 8.230 nan 0.000 0.410 114 P HA 0.419 nan 4.420 nan 0.000 0.278 114 P C -1.297 175.838 177.300 -0.276 0.000 1.238 114 P CA -0.237 62.598 63.100 -0.441 0.000 0.794 114 P CB 0.814 32.218 31.700 -0.492 0.000 0.955 115 L N 2.662 123.730 121.223 -0.259 0.000 2.386 115 L HA 0.367 4.707 4.340 -0.000 0.000 0.271 115 L C 1.405 178.195 176.870 -0.134 0.000 0.993 115 L CA -0.743 54.010 54.840 -0.145 0.000 0.819 115 L CB 2.019 44.041 42.059 -0.062 0.000 1.294 115 L HN 0.279 nan 8.230 nan 0.000 0.414 116 L N 0.844 121.995 121.223 -0.120 0.000 2.131 116 L HA 0.024 4.364 4.340 -0.000 0.000 0.206 116 L C 0.999 177.834 176.870 -0.060 0.000 1.087 116 L CA 0.809 55.596 54.840 -0.089 0.000 0.767 116 L CB -0.244 41.761 42.059 -0.091 0.000 0.917 116 L HN 0.743 nan 8.230 nan 0.000 0.441 117 S N -2.156 113.454 115.700 -0.151 0.000 2.627 117 S HA 0.428 4.898 4.470 -0.000 0.000 0.283 117 S C -2.328 172.013 174.600 -0.432 0.000 1.127 117 S CA -1.242 56.760 58.200 -0.330 0.000 0.863 117 S CB 1.737 64.811 63.200 -0.209 0.000 1.121 117 S HN -0.196 nan 8.310 nan 0.000 0.479 118 P HA 0.015 nan 4.420 nan 0.000 0.236 118 P C 1.031 178.224 177.300 -0.178 0.000 1.172 118 P CA 1.171 64.044 63.100 -0.378 0.000 0.759 118 P CB -0.399 31.098 31.700 -0.337 0.000 0.843 119 T N -4.936 109.517 114.554 -0.168 0.000 2.978 119 T HA 0.068 4.418 4.350 -0.000 0.000 0.248 119 T C 1.009 175.657 174.700 -0.087 0.000 1.018 119 T CA 0.102 62.139 62.100 -0.104 0.000 1.026 119 T CB -0.772 68.040 68.868 -0.092 0.000 1.032 119 T HN 0.164 nan 8.240 nan 0.000 0.485 120 S N 3.948 119.587 115.700 -0.101 0.000 2.558 120 S HA 0.303 4.773 4.470 -0.000 0.000 0.288 120 S C -1.977 172.582 174.600 -0.069 0.000 1.318 120 S CA -0.954 57.197 58.200 -0.082 0.000 1.056 120 S CB -0.040 63.106 63.200 -0.090 0.000 0.853 120 S HN 0.382 nan 8.310 nan 0.000 0.505 121 P HA 0.251 nan 4.420 nan 0.000 0.277 121 P C -0.452 176.817 177.300 -0.053 0.000 1.271 121 P CA -0.877 62.194 63.100 -0.048 0.000 0.795 121 P CB 0.341 32.016 31.700 -0.042 0.000 1.101 122 L N 1.065 122.262 121.223 -0.044 0.000 2.361 122 L HA 0.249 4.589 4.340 -0.000 0.000 0.278 122 L C -0.126 176.712 176.870 -0.052 0.000 1.113 122 L CA 0.522 55.332 54.840 -0.049 0.000 0.849 122 L CB -0.784 41.254 42.059 -0.034 0.000 1.155 122 L HN 0.222 nan 8.230 nan 0.000 0.452 123 D N 4.727 125.085 120.400 -0.070 0.000 2.349 123 D HA 0.179 4.819 4.640 -0.000 0.000 0.232 123 D C 0.759 177.020 176.300 -0.066 0.000 1.071 123 D CA -0.213 53.748 54.000 -0.064 0.000 0.832 123 D CB 1.321 42.078 40.800 -0.072 0.000 1.086 123 D HN 0.680 nan 8.370 nan 0.000 0.504 124 L N 3.307 124.505 121.223 -0.041 0.000 2.162 124 L HA 0.088 4.428 4.340 -0.000 0.000 0.205 124 L C 2.571 179.430 176.870 -0.019 0.000 1.086 124 L CA 0.181 55.004 54.840 -0.028 0.000 0.778 124 L CB -0.050 42.002 42.059 -0.010 0.000 0.928 124 L HN 0.354 nan 8.230 nan 0.000 0.446 125 R N 0.559 121.048 120.500 -0.018 0.000 2.096 125 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 125 R C 2.275 178.566 176.300 -0.015 0.000 1.127 125 R CA 1.452 57.546 56.100 -0.011 0.000 0.968 125 R CB -0.195 30.098 30.300 -0.012 0.000 0.861 125 R HN 0.340 nan 8.270 nan 0.000 0.440 126 A N 1.391 124.189 122.820 -0.037 0.000 1.883 126 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 126 A C 2.241 179.800 177.584 -0.042 0.000 1.186 126 A CA 1.425 53.431 52.037 -0.052 0.000 0.624 126 A CB -0.691 18.256 19.000 -0.087 0.000 0.822 126 A HN 0.341 nan 8.150 nan 0.000 0.444 127 L N -1.318 119.871 121.223 -0.056 0.000 2.013 127 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 127 L C 2.880 179.804 176.870 0.090 0.000 1.073 127 L CA 1.552 56.386 54.840 -0.010 0.000 0.753 127 L CB -0.554 41.488 42.059 -0.029 0.000 0.890 127 L HN 0.362 nan 8.230 nan 0.000 0.432 128 M N -0.937 118.698 119.600 0.059 0.000 2.159 128 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 128 M C 2.349 178.688 176.300 0.065 0.000 1.063 128 M CA 1.364 56.705 55.300 0.068 0.000 1.110 128 M CB -0.906 31.721 32.600 0.045 0.000 1.374 128 M HN 0.098 nan 8.290 nan 0.000 0.411 129 V N 0.130 120.070 119.914 0.045 0.000 2.343 129 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 129 V C 2.332 178.463 176.094 0.062 0.000 1.051 129 V CA 2.125 64.449 62.300 0.039 0.000 1.036 129 V CB -1.113 30.718 31.823 0.014 0.000 0.654 129 V HN 0.465 nan 8.190 nan 0.000 0.451 130 T N 0.427 115.028 114.554 0.078 0.000 2.788 130 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 130 T C 2.009 176.819 174.700 0.182 0.000 1.044 130 T CA 1.520 63.693 62.100 0.121 0.000 1.139 130 T CB -0.409 68.559 68.868 0.165 0.000 0.867 130 T HN 0.564 nan 8.240 nan 0.000 0.454 131 A N 1.181 124.108 122.820 0.178 0.000 1.969 131 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 131 A C 2.317 179.970 177.584 0.115 0.000 1.169 131 A CA 1.060 53.190 52.037 0.155 0.000 0.635 131 A CB -0.457 18.628 19.000 0.143 0.000 0.810 131 A HN 0.476 nan 8.150 nan 0.000 0.445 132 Q N -0.593 119.265 119.800 0.096 0.000 2.123 132 Q HA 0.009 4.349 4.340 -0.000 0.000 0.199 132 Q C 1.989 178.036 176.000 0.079 0.000 0.966 132 Q CA 1.044 56.892 55.803 0.075 0.000 0.845 132 Q CB -0.188 28.585 28.738 0.057 0.000 0.907 132 Q HN 0.688 nan 8.270 nan 0.000 0.439 133 L N -0.190 121.087 121.223 0.090 0.000 2.156 133 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 133 L C 2.420 179.362 176.870 0.120 0.000 1.095 133 L CA 0.453 55.348 54.840 0.093 0.000 0.770 133 L CB -0.264 41.848 42.059 0.088 0.000 0.914 133 L HN 0.292 nan 8.230 nan 0.000 0.439 134 M N -1.086 118.605 119.600 0.152 0.000 2.156 134 M HA -0.212 4.268 4.480 -0.000 0.000 0.264 134 M C 2.521 178.895 176.300 0.124 0.000 1.067 134 M CA 1.306 56.705 55.300 0.164 0.000 1.131 134 M CB -1.088 31.621 32.600 0.182 0.000 1.368 134 M HN 0.402 nan 8.290 nan 0.000 0.416 135 C N 1.068 120.429 119.300 0.103 0.000 2.413 135 C HA -0.194 4.266 4.460 -0.000 0.000 0.277 135 C C 2.315 177.347 174.990 0.071 0.000 1.228 135 C CA 1.240 60.308 59.018 0.082 0.000 1.731 135 C CB -0.883 26.898 27.740 0.069 0.000 2.042 135 C HN 0.492 nan 8.230 nan 0.000 0.468 136 D N 0.492 120.932 120.400 0.067 0.000 2.224 136 D HA 0.078 4.718 4.640 -0.000 0.000 0.205 136 D C 1.015 177.346 176.300 0.051 0.000 0.965 136 D CA 0.845 54.877 54.000 0.052 0.000 0.852 136 D CB -0.403 40.425 40.800 0.047 0.000 0.947 136 D HN 0.548 nan 8.370 nan 0.000 0.494 137 A N 1.362 124.222 122.820 0.066 0.000 2.561 137 A HA -0.002 4.318 4.320 -0.000 0.000 0.251 137 A C 0.595 178.200 177.584 0.035 0.000 1.062 137 A CA 0.592 52.665 52.037 0.061 0.000 0.761 137 A CB 0.112 19.165 19.000 0.088 0.000 0.986 137 A HN -0.009 nan 8.150 nan 0.000 0.510 138 K N 1.359 121.770 120.400 0.019 0.000 2.211 138 K HA 0.489 4.809 4.320 -0.000 0.000 0.237 138 K C 0.061 176.648 176.600 -0.022 0.000 1.002 138 K CA -0.992 55.294 56.287 -0.002 0.000 0.885 138 K CB 0.906 33.405 32.500 -0.001 0.000 1.136 138 K HN 0.671 nan 8.250 nan 0.000 0.448 139 R N 0.796 121.272 120.500 -0.040 0.000 2.707 139 R HA 0.114 4.454 4.340 -0.000 0.000 0.270 139 R C 1.251 177.518 176.300 -0.054 0.000 1.083 139 R CA 0.232 56.294 56.100 -0.063 0.000 1.182 139 R CB 0.066 30.320 30.300 -0.077 0.000 1.084 139 R HN 0.544 nan 8.270 nan 0.000 0.528 140 L N 0.627 121.808 121.223 -0.069 0.000 2.275 140 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 140 L C 2.044 178.882 176.870 -0.053 0.000 1.119 140 L CA 1.493 56.298 54.840 -0.058 0.000 0.790 140 L CB -0.419 41.598 42.059 -0.071 0.000 0.919 140 L HN 0.811 nan 8.230 nan 0.000 0.443 141 S N -0.557 115.106 115.700 -0.061 0.000 2.359 141 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 141 S C 1.573 176.151 174.600 -0.036 0.000 1.035 141 S CA 1.445 59.614 58.200 -0.052 0.000 1.018 141 S CB -0.436 62.728 63.200 -0.058 0.000 0.876 141 S HN 0.369 nan 8.310 nan 0.000 0.448 142 D N 1.932 122.312 120.400 -0.032 0.000 2.104 142 D HA 0.021 4.661 4.640 -0.000 0.000 0.194 142 D C 1.168 177.458 176.300 -0.016 0.000 0.994 142 D CA 1.129 55.116 54.000 -0.021 0.000 0.830 142 D CB -0.342 40.448 40.800 -0.017 0.000 0.959 142 D HN 0.667 nan 8.370 nan 0.000 0.452 151 S N 0.297 116.012 115.700 0.024 0.000 2.723 151 S HA 0.286 4.756 4.470 -0.000 0.000 0.231 151 S C 1.239 175.870 174.600 0.053 0.000 0.967 151 S CA 0.731 58.954 58.200 0.038 0.000 0.958 151 S CB -0.124 63.096 63.200 0.033 0.000 0.778 151 S HN 0.557 nan 8.310 nan 0.000 0.537 152 A N 1.275 124.120 122.820 0.042 0.000 2.192 152 A HA 0.345 4.665 4.320 -0.000 0.000 0.208 152 A C 2.037 179.661 177.584 0.068 0.000 1.220 152 A CA 0.486 52.548 52.037 0.041 0.000 0.900 152 A CB -0.357 18.646 19.000 0.005 0.000 0.937 152 A HN 0.720 nan 8.150 nan 0.000 0.487 153 S N -0.638 115.094 115.700 0.053 0.000 2.528 153 S HA 0.219 4.689 4.470 -0.000 0.000 0.219 153 S C 1.413 176.046 174.600 0.056 0.000 0.985 153 S CA 0.337 58.567 58.200 0.050 0.000 0.914 153 S CB -0.231 62.987 63.200 0.031 0.000 0.776 153 S HN 0.362 nan 8.310 nan 0.000 0.526 154 L N 0.528 121.789 121.223 0.064 0.000 2.513 154 L HA 0.285 4.625 4.340 -0.000 0.000 0.222 154 L C 0.857 177.765 176.870 0.063 0.000 1.096 154 L CA -0.093 54.778 54.840 0.051 0.000 0.857 154 L CB -0.452 41.627 42.059 0.034 0.000 1.026 154 L HN 0.409 nan 8.230 nan 0.000 0.469 155 H N 0.589 119.666 119.070 0.012 0.000 3.157 155 H HA 0.168 4.724 4.556 -0.000 0.000 0.299 155 H C 1.199 176.539 175.328 0.020 0.000 0.961 155 H CA 0.905 56.961 56.048 0.013 0.000 1.428 155 H CB 0.375 30.144 29.762 0.012 0.000 1.459 155 H HN 0.314 nan 8.280 nan 0.000 0.566 156 G N 4.034 112.523 108.800 -0.518 0.000 2.176 156 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.253 156 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.253 156 G C 0.510 175.340 174.900 -0.117 0.000 0.979 156 G CA 0.179 45.072 45.100 -0.346 0.000 0.641 156 G HN 0.732 nan 8.290 nan 0.000 0.530 157 R N -0.229 120.233 120.500 -0.063 0.000 2.490 157 R HA 0.544 4.884 4.340 -0.000 0.000 0.278 157 R C 0.589 176.899 176.300 0.016 0.000 1.069 157 R CA -0.545 55.555 56.100 -0.001 0.000 1.080 157 R CB 0.354 30.665 30.300 0.018 0.000 1.030 157 R HN 0.126 nan 8.270 nan 0.000 0.491 158 M N 2.180 121.811 119.600 0.052 0.000 2.185 158 M HA 0.240 4.720 4.480 -0.000 0.000 0.357 158 M C -0.454 175.888 176.300 0.069 0.000 1.260 158 M CA -0.225 55.117 55.300 0.071 0.000 1.124 158 M CB 1.158 33.820 32.600 0.103 0.000 1.600 158 M HN 0.310 nan 8.290 nan 0.000 0.467 159 V N 2.652 122.611 119.914 0.075 0.000 2.841 159 V HA 0.906 5.026 4.120 -0.000 0.000 0.310 159 V C -1.178 174.974 176.094 0.096 0.000 1.090 159 V CA -0.618 61.714 62.300 0.054 0.000 0.930 159 V CB 2.106 33.933 31.823 0.007 0.000 1.014 159 V HN 0.980 nan 8.190 nan 0.000 0.425 160 A N 3.017 125.854 122.820 0.028 0.000 2.355 160 A HA 0.828 5.148 4.320 -0.000 0.000 0.324 160 A C -0.052 177.438 177.584 -0.157 0.000 1.117 160 A CA -0.071 51.974 52.037 0.014 0.000 0.785 160 A CB 1.724 20.750 19.000 0.044 0.000 1.254 160 A HN 1.278 nan 8.150 nan 0.000 0.453 161 T N 0.207 114.687 114.554 -0.123 0.000 3.262 161 T HA 0.462 4.812 4.350 -0.000 0.000 0.374 161 T C -1.990 172.442 174.700 -0.447 0.000 1.504 161 T CA -1.566 60.390 62.100 -0.240 0.000 1.158 161 T CB 0.708 69.519 68.868 -0.095 0.000 1.157 161 T HN 0.360 nan 8.240 nan 0.000 0.644 162 P HA -0.012 nan 4.420 nan 0.000 0.228 162 P C 0.802 177.774 177.300 -0.547 0.000 1.151 162 P CA 0.767 63.066 63.100 -1.335 0.000 0.770 162 P CB 0.328 31.156 31.700 -1.453 0.000 0.786 163 E N -0.524 119.472 120.200 -0.339 0.000 2.435 163 E HA 0.115 4.465 4.350 -0.000 0.000 0.195 163 E C 0.596 177.113 176.600 -0.139 0.000 1.029 163 E CA 0.441 56.731 56.400 -0.184 0.000 0.865 163 E CB -0.193 29.405 29.700 -0.170 0.000 0.833 163 E HN 0.341 nan 8.360 nan 0.000 0.510 164 I N -0.166 120.312 120.570 -0.153 0.000 2.796 164 I HA 0.140 4.310 4.170 -0.000 0.000 0.279 164 I C -0.252 175.859 176.117 -0.010 0.000 1.289 164 I CA -0.351 60.879 61.300 -0.117 0.000 1.021 164 I CB 1.035 38.906 38.000 -0.216 0.000 1.414 164 I HN -0.143 nan 8.210 nan 0.000 0.562 165 S N 1.483 117.218 115.700 0.058 0.000 3.270 165 S HA -0.251 4.219 4.470 -0.000 0.000 0.293 165 S C 0.340 175.089 174.600 0.248 0.000 1.278 165 S CA 1.022 59.299 58.200 0.129 0.000 1.038 165 S CB -1.587 61.658 63.200 0.075 0.000 1.218 165 S HN 0.813 nan 8.310 nan 0.000 0.659 166 W N 1.196 122.490 121.300 -0.009 0.000 5.770 166 W HA -0.257 4.403 4.660 -0.000 0.000 0.389 166 W C 0.376 176.890 176.519 -0.008 0.000 1.469 166 W CA 0.690 58.029 57.345 -0.008 0.000 0.975 166 W CB -2.165 27.281 29.460 -0.024 0.000 2.622 166 W HN 0.449 nan 8.180 nan 0.000 1.500 167 S N 0.574 116.362 115.700 0.147 0.000 2.573 167 S HA 0.492 4.962 4.470 -0.000 0.000 0.277 167 S C 0.351 174.969 174.600 0.030 0.000 1.346 167 S CA -0.412 57.810 58.200 0.036 0.000 1.034 167 S CB 0.824 64.005 63.200 -0.032 0.000 0.879 167 S HN 0.177 nan 8.310 nan 0.000 0.528 168 L N 2.347 123.498 121.223 -0.119 0.000 2.329 168 L HA 0.594 4.934 4.340 -0.000 0.000 0.279 168 L C -1.176 175.558 176.870 -0.227 0.000 1.014 168 L CA -0.666 54.144 54.840 -0.050 0.000 0.814 168 L CB 0.759 42.808 42.059 -0.017 0.000 1.257 168 L HN 0.617 nan 8.230 nan 0.000 0.424 169 Y N 1.130 121.421 120.300 -0.015 0.000 2.545 169 Y HA 0.542 5.092 4.550 0.000 0.000 0.348 169 Y C -0.281 175.601 175.900 -0.031 0.000 1.002 169 Y CA -0.911 57.172 58.100 -0.028 0.000 1.039 169 Y CB 2.237 40.671 38.460 -0.043 0.000 1.271 169 Y HN 0.198 nan 8.280 nan 0.000 0.467 170 V N 3.494 123.481 119.914 0.121 0.000 2.394 170 V HA 0.521 4.641 4.120 -0.000 0.000 0.282 170 V C -0.920 175.180 176.094 0.010 0.000 1.031 170 V CA -0.672 61.650 62.300 0.037 0.000 0.881 170 V CB 1.040 32.859 31.823 -0.007 0.000 0.982 170 V HN 0.603 nan 8.190 nan 0.000 0.451 171 V N 8.438 128.339 119.914 -0.021 0.000 2.455 171 V HA 0.180 4.300 4.120 -0.000 0.000 0.273 171 V C 1.056 177.116 176.094 -0.056 0.000 1.045 171 V CA 0.152 62.431 62.300 -0.034 0.000 0.976 171 V CB 1.194 33.003 31.823 -0.023 0.000 0.993 171 V HN 0.884 nan 8.190 nan 0.000 0.475 172 L N 4.183 125.397 121.223 -0.014 0.000 2.416 172 L HA 0.493 4.833 4.340 -0.000 0.000 0.216 172 L C 1.113 178.083 176.870 0.166 0.000 1.098 172 L CA 0.877 55.766 54.840 0.081 0.000 0.840 172 L CB 0.005 42.097 42.059 0.055 0.000 0.981 172 L HN 0.883 nan 8.230 nan 0.000 0.462 173 G N -0.096 108.751 108.800 0.078 0.000 2.345 173 G HA2 0.215 4.175 3.960 -0.000 0.000 0.285 173 G HA3 0.215 4.175 3.960 -0.000 0.000 0.285 173 G C -1.736 173.190 174.900 0.044 0.000 1.297 173 G CA -0.835 44.309 45.100 0.074 0.000 0.875 173 G HN -0.121 nan 8.290 nan 0.000 0.506 174 I N 1.022 121.618 120.570 0.043 0.000 2.362 174 I HA 0.308 4.478 4.170 -0.000 0.000 0.289 174 I C -0.963 175.188 176.117 0.057 0.000 0.994 174 I CA -0.461 60.862 61.300 0.038 0.000 1.158 174 I CB 1.885 39.894 38.000 0.015 0.000 1.315 174 I HN 0.476 nan 8.210 nan 0.000 0.451 175 D N 4.022 124.478 120.400 0.094 0.000 2.422 175 D HA 0.076 4.716 4.640 -0.000 0.000 0.227 175 D C 1.225 177.537 176.300 0.019 0.000 1.190 175 D CA -0.175 53.884 54.000 0.099 0.000 0.905 175 D CB 0.969 41.907 40.800 0.230 0.000 1.034 175 D HN 0.509 nan 8.370 nan 0.000 0.507 176 S N 1.525 117.230 115.700 0.009 0.000 2.515 176 S HA -0.125 4.344 4.470 -0.000 0.000 0.231 176 S C 1.643 176.229 174.600 -0.025 0.000 0.987 176 S CA 0.519 58.713 58.200 -0.011 0.000 0.936 176 S CB -0.201 62.997 63.200 -0.003 0.000 0.766 176 S HN 0.429 nan 8.310 nan 0.000 0.528 177 T N 2.405 116.940 114.554 -0.031 0.000 2.759 177 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 177 T C 0.882 175.540 174.700 -0.071 0.000 1.042 177 T CA 1.532 63.604 62.100 -0.046 0.000 1.140 177 T CB -0.299 68.535 68.868 -0.055 0.000 0.864 177 T HN 0.891 nan 8.240 nan 0.000 0.455 178 Q N -0.535 119.196 119.800 -0.115 0.000 2.484 178 Q HA 0.677 5.017 4.340 -0.000 0.000 0.285 178 Q C -1.504 174.419 176.000 -0.128 0.000 1.097 178 Q CA -0.903 54.824 55.803 -0.127 0.000 0.802 178 Q CB 2.123 30.742 28.738 -0.199 0.000 1.444 178 Q HN -0.055 nan 8.270 nan 0.000 0.429 179 T N 0.128 114.618 114.554 -0.106 0.000 2.883 179 T HA 0.227 4.577 4.350 -0.000 0.000 0.301 179 T C 0.589 175.232 174.700 -0.095 0.000 1.158 179 T CA -0.457 61.586 62.100 -0.095 0.000 1.007 179 T CB 1.766 70.610 68.868 -0.040 0.000 1.186 179 T HN 0.643 nan 8.240 nan 0.000 0.499 180 S N 1.236 116.881 115.700 -0.092 0.000 2.461 180 S HA -0.084 4.386 4.470 -0.000 0.000 0.246 180 S C 1.801 176.456 174.600 0.091 0.000 1.007 180 S CA 1.078 59.270 58.200 -0.012 0.000 0.976 180 S CB -0.308 62.887 63.200 -0.009 0.000 0.763 180 S HN 0.482 nan 8.310 nan 0.000 0.508 181 L N 0.931 122.177 121.223 0.038 0.000 2.418 181 L HA 0.084 4.424 4.340 -0.000 0.000 0.218 181 L C 1.038 177.907 176.870 -0.001 0.000 1.125 181 L CA -0.022 54.828 54.840 0.016 0.000 0.835 181 L CB -0.269 41.798 42.059 0.012 0.000 0.953 181 L HN 0.127 nan 8.230 nan 0.000 0.454 182 S N -1.200 114.550 115.700 0.083 0.000 2.580 182 S HA 0.072 4.542 4.470 -0.000 0.000 0.261 182 S C -0.492 174.211 174.600 0.171 0.000 1.366 182 S CA -0.045 58.252 58.200 0.162 0.000 0.996 182 S CB 0.208 63.505 63.200 0.162 0.000 0.902 182 S HN -0.013 nan 8.310 nan 0.000 0.566 183 Y N 0.386 120.797 120.300 0.185 0.000 2.457 183 Y HA 0.620 5.170 4.550 -0.000 0.000 0.333 183 Y C 0.025 176.026 175.900 0.168 0.000 1.119 183 Y CA -0.930 57.237 58.100 0.111 0.000 1.143 183 Y CB 1.064 39.524 38.460 -0.000 0.000 1.230 183 Y HN 0.647 nan 8.280 nan 0.000 0.469 184 F N -1.045 118.916 119.950 0.019 0.000 2.626 184 F HA 0.818 5.345 4.527 -0.000 0.000 0.311 184 F C -0.901 174.865 175.800 -0.057 0.000 1.088 184 F CA -1.074 56.884 58.000 -0.069 0.000 0.949 184 F CB 1.580 40.405 39.000 -0.291 0.000 1.322 184 F HN 0.398 nan 8.300 nan 0.000 0.461 185 T N 0.077 114.579 114.554 -0.087 0.000 2.863 185 T HA 0.733 5.083 4.350 -0.000 0.000 0.285 185 T C -0.942 173.721 174.700 -0.062 0.000 1.009 185 T CA -1.009 60.982 62.100 -0.182 0.000 0.989 185 T CB 1.639 70.461 68.868 -0.077 0.000 1.004 185 T HN 0.914 nan 8.240 nan 0.000 0.455 186 R N 1.885 122.313 120.500 -0.120 0.000 2.514 186 R HA 0.720 5.060 4.340 -0.000 0.000 0.301 186 R C 0.185 176.460 176.300 -0.043 0.000 0.962 186 R CA -1.033 55.050 56.100 -0.029 0.000 0.882 186 R CB 1.361 31.651 30.300 -0.017 0.000 1.143 186 R HN 0.916 nan 8.270 nan 0.000 0.452 187 A N 3.007 125.816 122.820 -0.017 0.000 2.600 187 A HA -0.137 4.183 4.320 -0.000 0.000 0.253 187 A C 0.455 178.021 177.584 -0.031 0.000 0.997 187 A CA 0.516 52.541 52.037 -0.020 0.000 0.820 187 A CB -0.393 18.602 19.000 -0.009 0.000 0.888 187 A HN 1.051 nan 8.150 nan 0.000 0.508 188 N N -0.515 118.162 118.700 -0.037 0.000 2.967 188 N HA -0.166 4.574 4.740 -0.000 0.000 0.212 188 N C 0.034 175.511 175.510 -0.055 0.000 0.884 188 N CA 1.765 54.790 53.050 -0.041 0.000 1.030 188 N CB -0.744 37.724 38.487 -0.031 0.000 1.018 188 N HN 1.041 nan 8.380 nan 0.000 0.596 189 E N 1.142 121.296 120.200 -0.076 0.000 2.263 189 E HA 0.454 4.804 4.350 -0.000 0.000 0.268 189 E C -1.088 175.415 176.600 -0.161 0.000 0.884 189 E CA -0.499 55.840 56.400 -0.102 0.000 0.766 189 E CB 1.368 31.010 29.700 -0.098 0.000 1.196 189 E HN 0.187 nan 8.360 nan 0.000 0.416 190 S N 4.944 120.558 115.700 -0.143 0.000 2.552 190 S HA 0.651 5.121 4.470 -0.000 0.000 0.314 190 S C -0.397 174.155 174.600 -0.081 0.000 1.099 190 S CA -0.712 57.392 58.200 -0.160 0.000 1.070 190 S CB 0.499 63.639 63.200 -0.101 0.000 0.998 190 S HN 0.469 nan 8.310 nan 0.000 0.474 191 I N 2.230 122.604 120.570 -0.327 0.000 2.846 191 I HA 0.475 4.645 4.170 -0.000 0.000 0.307 191 I C 0.168 176.074 176.117 -0.352 0.000 1.053 191 I CA -0.994 60.138 61.300 -0.279 0.000 1.050 191 I CB 2.674 40.461 38.000 -0.354 0.000 1.239 191 I HN 0.750 nan 8.210 nan 0.000 0.439 192 T N -0.326 114.023 114.554 -0.341 0.000 2.856 192 T HA 0.297 4.647 4.350 -0.000 0.000 0.292 192 T C 0.866 175.645 174.700 0.131 0.000 0.980 192 T CA -0.331 61.600 62.100 -0.281 0.000 1.091 192 T CB 0.652 69.266 68.868 -0.424 0.000 0.936 192 T HN 0.405 nan 8.240 nan 0.000 0.503 193 Y N 1.566 122.033 120.300 0.277 0.000 2.096 193 Y HA -0.277 4.273 4.550 -0.000 0.000 0.278 193 Y C 2.767 178.908 175.900 0.403 0.000 1.192 193 Y CA 2.019 60.362 58.100 0.405 0.000 1.143 193 Y CB -0.468 38.173 38.460 0.301 0.000 0.963 193 Y HN 0.612 nan 8.280 nan 0.000 0.505 194 M N -0.243 119.581 119.600 0.374 0.000 2.202 194 M HA -0.279 4.201 4.480 -0.000 0.000 0.262 194 M C 2.370 178.787 176.300 0.194 0.000 1.063 194 M CA 1.753 57.199 55.300 0.243 0.000 1.097 194 M CB -0.202 32.471 32.600 0.122 0.000 1.382 194 M HN 0.276 nan 8.290 nan 0.000 0.413 195 R N -1.032 119.558 120.500 0.151 0.000 2.100 195 R HA -0.163 4.177 4.340 -0.000 0.000 0.220 195 R C 2.225 178.587 176.300 0.104 0.000 1.091 195 R CA 1.204 57.358 56.100 0.091 0.000 0.986 195 R CB -0.463 29.859 30.300 0.036 0.000 0.888 195 R HN 0.429 nan 8.270 nan 0.000 0.444 196 Y N 0.519 120.854 120.300 0.060 0.000 2.030 196 Y HA -0.315 4.235 4.550 -0.000 0.000 0.274 196 Y C 1.557 177.427 175.900 -0.049 0.000 1.153 196 Y CA 1.928 60.023 58.100 -0.009 0.000 1.115 196 Y CB -0.920 37.550 38.460 0.017 0.000 0.969 196 Y HN 0.069 nan 8.280 nan 0.000 0.488 197 Y N 0.043 120.234 120.300 -0.181 0.000 2.384 197 Y HA -0.197 4.353 4.550 -0.000 0.000 0.289 197 Y C 2.578 178.342 175.900 -0.227 0.000 1.152 197 Y CA 1.140 59.106 58.100 -0.224 0.000 1.258 197 Y CB -0.607 37.860 38.460 0.010 0.000 0.979 197 Y HN 0.336 nan 8.280 nan 0.000 0.549 198 A N -0.851 121.920 122.820 -0.081 0.000 1.903 198 A HA -0.086 4.234 4.320 -0.000 0.000 0.213 198 A C 2.227 179.693 177.584 -0.195 0.000 1.185 198 A CA 1.689 53.601 52.037 -0.209 0.000 0.628 198 A CB -0.895 18.025 19.000 -0.133 0.000 0.830 198 A HN 0.338 nan 8.150 nan 0.000 0.446 199 T N 0.361 114.811 114.554 -0.172 0.000 2.737 199 T HA 0.058 4.408 4.350 -0.000 0.000 0.265 199 T C 2.193 176.750 174.700 -0.239 0.000 1.038 199 T CA 1.596 63.604 62.100 -0.154 0.000 1.144 199 T CB -0.339 68.471 68.868 -0.096 0.000 0.866 199 T HN 0.522 nan 8.240 nan 0.000 0.434 200 A N 1.337 123.889 122.820 -0.447 0.000 1.844 200 A HA -0.021 4.299 4.320 -0.000 0.000 0.212 200 A C 2.013 179.272 177.584 -0.541 0.000 1.221 200 A CA 0.791 52.468 52.037 -0.600 0.000 0.607 200 A CB -0.567 17.800 19.000 -1.056 0.000 0.878 200 A HN 0.547 nan 8.150 nan 0.000 0.451 201 H N -1.171 117.741 119.070 -0.263 0.000 2.575 201 H HA 0.098 4.654 4.556 -0.000 0.000 0.267 201 H C 0.211 175.467 175.328 -0.119 0.000 0.966 201 H CA 0.516 56.478 56.048 -0.145 0.000 1.165 201 H CB 0.150 29.860 29.762 -0.085 0.000 1.433 201 H HN 0.561 nan 8.280 nan 0.000 0.544 202 N N 0.841 119.486 118.700 -0.091 0.000 2.780 202 N HA -0.179 4.560 4.740 -0.000 0.000 0.248 202 N C -0.835 174.563 175.510 -0.186 0.000 1.102 202 N CA 0.251 53.216 53.050 -0.142 0.000 0.697 202 N CB -1.430 37.036 38.487 -0.036 0.000 1.028 202 N HN 0.337 nan 8.380 nan 0.000 0.554 203 I N 1.650 122.098 120.570 -0.203 0.000 2.362 203 I HA 0.192 4.362 4.170 -0.000 0.000 0.289 203 I C 0.199 176.153 176.117 -0.272 0.000 0.994 203 I CA -0.635 60.576 61.300 -0.148 0.000 1.158 203 I CB 1.247 39.231 38.000 -0.027 0.000 1.315 203 I HN 0.030 nan 8.210 nan 0.000 0.451 204 H N 7.385 126.467 119.070 0.020 0.000 2.724 204 H HA 0.341 4.897 4.556 0.000 0.000 0.278 204 H C -0.221 175.106 175.328 -0.001 0.000 1.159 204 H CA -0.612 55.446 56.048 0.017 0.000 1.254 204 H CB 0.897 30.665 29.762 0.010 0.000 1.412 204 H HN 0.400 nan 8.280 nan 0.000 0.488 205 L N 3.117 124.379 121.223 0.065 0.000 2.540 205 L HA -0.043 4.297 4.340 -0.000 0.000 0.276 205 L C 1.799 178.684 176.870 0.026 0.000 1.212 205 L CA 0.301 55.147 54.840 0.011 0.000 0.893 205 L CB 0.753 42.808 42.059 -0.007 0.000 1.138 205 L HN 0.509 nan 8.230 nan 0.000 0.491 206 R N 2.938 123.438 120.500 0.000 0.000 2.041 206 R HA 0.081 4.421 4.340 -0.000 0.000 0.221 206 R C 1.329 177.622 176.300 -0.011 0.000 1.196 206 R CA 0.964 57.064 56.100 -0.000 0.000 0.969 206 R CB -0.191 30.104 30.300 -0.008 0.000 0.858 206 R HN 0.757 nan 8.270 nan 0.000 0.444 207 A N 1.366 124.170 122.820 -0.027 0.000 2.478 207 A HA 0.217 4.537 4.320 -0.000 0.000 0.239 207 A C 1.535 179.099 177.584 -0.033 0.000 1.480 207 A CA 0.541 52.560 52.037 -0.030 0.000 1.308 207 A CB -0.652 18.323 19.000 -0.041 0.000 0.899 207 A HN 0.475 nan 8.150 nan 0.000 0.600 208 A N 0.900 123.708 122.820 -0.020 0.000 2.042 208 A HA -0.222 4.098 4.320 -0.000 0.000 0.222 208 A C 1.536 179.109 177.584 -0.018 0.000 1.167 208 A CA 1.903 53.932 52.037 -0.014 0.000 0.649 208 A CB -0.507 18.499 19.000 0.010 0.000 0.809 208 A HN 0.729 nan 8.150 nan 0.000 0.457 209 D N -0.884 119.506 120.400 -0.017 0.000 2.363 209 D HA 0.139 4.779 4.640 -0.000 0.000 0.226 209 D C 0.443 176.727 176.300 -0.026 0.000 1.020 209 D CA 0.088 54.078 54.000 -0.016 0.000 0.892 209 D CB -0.398 40.397 40.800 -0.009 0.000 0.900 209 D HN 0.443 nan 8.370 nan 0.000 0.531 210 L N 0.582 121.782 121.223 -0.038 0.000 2.371 210 L HA 0.345 4.685 4.340 -0.000 0.000 0.272 210 L C -2.094 174.740 176.870 -0.060 0.000 1.124 210 L CA -2.277 52.535 54.840 -0.046 0.000 0.816 210 L CB 0.728 42.756 42.059 -0.052 0.000 1.129 210 L HN -0.265 nan 8.230 nan 0.000 0.448 211 P HA 0.021 nan 4.420 nan 0.000 0.265 211 P C -0.413 176.842 177.300 -0.074 0.000 1.193 211 P CA 0.081 63.146 63.100 -0.059 0.000 0.765 211 P CB 0.354 32.033 31.700 -0.035 0.000 0.823 212 L N 2.427 123.588 121.223 -0.102 0.000 2.473 212 L HA 0.137 4.477 4.340 -0.000 0.000 0.268 212 L C 0.332 177.189 176.870 -0.021 0.000 1.215 212 L CA -0.532 54.243 54.840 -0.108 0.000 0.823 212 L CB 0.203 42.147 42.059 -0.191 0.000 1.099 212 L HN 0.114 nan 8.230 nan 0.000 0.483 213 V N 1.512 121.397 119.914 -0.048 0.000 2.432 213 V HA 0.304 4.423 4.120 -0.000 0.000 0.275 213 V C 0.551 176.620 176.094 -0.041 0.000 1.043 213 V CA -0.631 61.641 62.300 -0.046 0.000 0.925 213 V CB 1.131 32.889 31.823 -0.109 0.000 0.985 213 V HN 0.830 nan 8.190 nan 0.000 0.466 214 A N 4.639 127.443 122.820 -0.027 0.000 2.527 214 A HA 0.774 5.094 4.320 -0.000 0.000 0.313 214 A C 0.383 177.860 177.584 -0.177 0.000 1.410 214 A CA 0.111 52.032 52.037 -0.194 0.000 1.060 214 A CB -0.144 18.812 19.000 -0.073 0.000 1.137 214 A HN 1.229 nan 8.150 nan 0.000 0.542 215 A N 2.035 124.723 122.820 -0.219 0.000 2.387 215 A HA 0.833 5.153 4.320 -0.000 0.000 0.303 215 A C -0.828 176.734 177.584 -0.036 0.000 1.145 215 A CA -0.557 51.421 52.037 -0.097 0.000 0.801 215 A CB 1.516 20.466 19.000 -0.082 0.000 1.342 215 A HN 0.943 nan 8.150 nan 0.000 0.440 216 V N 0.927 120.881 119.914 0.068 0.000 2.588 216 V HA 0.432 4.552 4.120 -0.000 0.000 0.304 216 V C 0.311 176.475 176.094 0.115 0.000 1.042 216 V CA -0.651 61.696 62.300 0.078 0.000 0.877 216 V CB 1.609 33.441 31.823 0.014 0.000 0.996 216 V HN 0.988 nan 8.190 nan 0.000 0.425 217 R N 1.992 122.516 120.500 0.040 0.000 2.679 217 R HA 0.118 4.458 4.340 -0.000 0.000 0.268 217 R C 1.053 177.247 176.300 -0.177 0.000 1.044 217 R CA -0.156 55.773 56.100 -0.285 0.000 1.105 217 R CB 0.415 30.529 30.300 -0.311 0.000 0.989 217 R HN 0.670 nan 8.270 nan 0.000 0.447 218 L N 3.067 124.156 121.223 -0.223 0.000 2.141 218 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 218 L C 1.070 177.875 176.870 -0.107 0.000 1.094 218 L CA 1.811 56.580 54.840 -0.119 0.000 0.763 218 L CB -0.308 41.688 42.059 -0.105 0.000 0.908 218 L HN 0.748 nan 8.230 nan 0.000 0.437 219 D N -0.188 120.128 120.400 -0.139 0.000 2.158 219 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 219 D C 1.486 177.747 176.300 -0.066 0.000 0.995 219 D CA 1.587 55.522 54.000 -0.109 0.000 0.846 219 D CB -0.034 40.697 40.800 -0.115 0.000 0.941 219 D HN 0.457 nan 8.370 nan 0.000 0.456 220 D N 0.024 120.396 120.400 -0.046 0.000 2.216 220 D HA -0.015 4.625 4.640 -0.000 0.000 0.208 220 D C 1.175 177.516 176.300 0.068 0.000 0.960 220 D CA -0.072 53.933 54.000 0.009 0.000 0.861 220 D CB 0.001 40.808 40.800 0.011 0.000 0.985 220 D HN 0.117 nan 8.370 nan 0.000 0.493 221 L N 1.905 123.160 121.223 0.054 0.000 2.376 221 L HA 0.059 4.399 4.340 -0.000 0.000 0.250 221 L C 1.264 178.146 176.870 0.021 0.000 1.335 221 L CA 0.093 54.997 54.840 0.107 0.000 1.214 221 L CB -0.055 42.041 42.059 0.062 0.000 1.395 221 L HN -0.247 nan 8.230 nan 0.000 0.424 222 K N 0.657 121.025 120.400 -0.054 0.000 1.978 222 K HA -0.137 4.183 4.320 -0.000 0.000 0.214 222 K C 1.054 177.575 176.600 -0.131 0.000 1.049 222 K CA 2.251 58.462 56.287 -0.126 0.000 0.939 222 K CB 0.154 32.550 32.500 -0.174 0.000 0.721 222 K HN 0.857 nan 8.250 nan 0.000 0.441 223 D N -2.505 117.738 120.400 -0.262 0.000 2.497 223 D HA -0.023 4.617 4.640 -0.000 0.000 0.256 223 D C -0.328 175.913 176.300 -0.099 0.000 1.273 223 D CA -0.304 53.612 54.000 -0.140 0.000 0.812 223 D CB -0.442 40.286 40.800 -0.120 0.000 1.190 223 D HN 0.055 nan 8.370 nan 0.000 0.524 224 H N 1.702 120.786 119.070 0.023 0.000 3.016 224 H HA 0.159 4.715 4.556 -0.000 0.000 0.345 224 H C 0.477 175.818 175.328 0.021 0.000 1.066 224 H CA 0.513 56.574 56.048 0.021 0.000 1.390 224 H CB 0.469 30.242 29.762 0.018 0.000 1.344 224 H HN 0.186 nan 8.280 nan 0.000 0.605 225 Q N 1.544 121.439 119.800 0.157 0.000 2.373 225 Q HA 0.319 4.659 4.340 -0.000 0.000 0.255 225 Q C 0.250 176.307 176.000 0.095 0.000 0.980 225 Q CA -0.151 55.711 55.803 0.098 0.000 0.882 225 Q CB 0.518 29.304 28.738 0.079 0.000 1.249 225 Q HN 0.427 nan 8.270 nan 0.000 0.438 226 I N 3.097 123.713 120.570 0.077 0.000 2.529 226 I HA 0.179 4.349 4.170 -0.000 0.000 0.284 226 I C -1.761 174.430 176.117 0.124 0.000 1.082 226 I CA -1.962 59.384 61.300 0.077 0.000 1.406 226 I CB 0.477 38.491 38.000 0.023 0.000 1.405 226 I HN 0.522 nan 8.210 nan 0.000 0.548 227 P HA 0.146 nan 4.420 nan 0.000 0.272 227 P C -0.409 176.977 177.300 0.144 0.000 1.254 227 P CA -0.370 62.802 63.100 0.120 0.000 0.795 227 P CB 0.446 32.203 31.700 0.094 0.000 1.022 228 A N 1.048 123.880 122.820 0.021 0.000 2.275 228 A HA 0.338 4.658 4.320 -0.000 0.000 0.282 228 A C -1.371 176.057 177.584 -0.259 0.000 1.275 228 A CA -0.827 51.144 52.037 -0.111 0.000 0.842 228 A CB -1.561 17.399 19.000 -0.066 0.000 1.280 228 A HN 0.404 nan 8.150 nan 0.000 0.508 229 P HA -0.078 nan 4.420 nan 0.000 0.223 229 P C 0.494 177.735 177.300 -0.098 0.000 1.138 229 P CA 2.163 65.123 63.100 -0.235 0.000 0.787 229 P CB -0.190 31.421 31.700 -0.147 0.000 0.752 230 G N -1.090 107.673 108.800 -0.061 0.000 2.756 230 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.151 230 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.151 230 G C 0.135 175.034 174.900 -0.001 0.000 1.071 230 G CA -0.221 44.874 45.100 -0.008 0.000 0.881 230 G HN 0.418 nan 8.290 nan 0.000 0.517 234 D N 0.590 120.996 120.400 0.010 0.000 2.108 234 D HA -0.081 4.559 4.640 -0.000 0.000 0.190 234 D C 0.597 176.882 176.300 -0.026 0.000 0.995 234 D CA 1.141 55.139 54.000 -0.003 0.000 0.834 234 D CB 0.422 41.223 40.800 0.001 0.000 0.967 234 D HN 0.316 nan 8.370 nan 0.000 0.446 235 L N 0.456 121.649 121.223 -0.050 0.000 2.337 235 L HA 0.428 4.768 4.340 -0.000 0.000 0.269 235 L C 0.268 177.099 176.870 -0.064 0.000 1.018 235 L CA -0.413 54.373 54.840 -0.090 0.000 0.876 235 L CB 1.834 43.768 42.059 -0.209 0.000 1.236 235 L HN -0.125 nan 8.230 nan 0.000 0.436 236 A N 2.934 125.735 122.820 -0.033 0.000 2.503 236 A HA 0.353 4.673 4.320 -0.000 0.000 0.263 236 A C -1.024 176.560 177.584 -0.000 0.000 1.258 236 A CA -0.263 51.766 52.037 -0.014 0.000 0.936 236 A CB -0.379 18.630 19.000 0.014 0.000 1.070 236 A HN 0.536 nan 8.150 nan 0.000 0.522 237 P HA 0.079 nan 4.420 nan 0.000 0.249 237 P C 0.518 177.822 177.300 0.006 0.000 1.229 237 P CA 0.730 63.835 63.100 0.009 0.000 0.788 237 P CB 0.204 31.906 31.700 0.004 0.000 1.072 238 K N -0.880 119.513 120.400 -0.012 0.000 2.373 238 K HA 0.154 4.474 4.320 -0.000 0.000 0.200 238 K C 0.583 177.166 176.600 -0.029 0.000 1.054 238 K CA -0.588 55.693 56.287 -0.009 0.000 1.065 238 K CB 0.241 32.739 32.500 -0.004 0.000 0.886 238 K HN 0.040 nan 8.250 nan 0.000 0.546 239 L N 2.416 123.601 121.223 -0.063 0.000 2.514 239 L HA 0.009 4.349 4.340 -0.000 0.000 0.280 239 L C -0.379 176.349 176.870 -0.237 0.000 1.223 239 L CA 0.777 55.516 54.840 -0.168 0.000 0.864 239 L CB 0.252 42.182 42.059 -0.216 0.000 1.118 239 L HN 0.036 nan 8.230 nan 0.000 0.494 240 R N 4.245 124.537 120.500 -0.345 0.000 2.795 240 R HA 0.529 4.868 4.340 -0.000 0.000 0.275 240 R C -1.555 174.427 176.300 -0.530 0.000 0.981 240 R CA -0.673 55.258 56.100 -0.281 0.000 0.917 240 R CB 1.534 31.820 30.300 -0.023 0.000 1.202 240 R HN 0.446 nan 8.270 nan 0.000 0.469 241 F N 3.001 122.944 119.950 -0.012 0.000 2.482 241 F HA 0.540 5.067 4.527 -0.000 0.000 0.331 241 F C 0.095 175.813 175.800 -0.136 0.000 1.115 241 F CA -0.953 56.982 58.000 -0.108 0.000 0.955 241 F CB 1.641 40.547 39.000 -0.158 0.000 1.136 241 F HN 0.223 nan 8.300 nan 0.000 0.452 242 L N 1.008 122.188 121.223 -0.070 0.000 2.445 242 L HA 0.768 5.108 4.340 -0.000 0.000 0.262 242 L C -3.201 173.550 176.870 -0.199 0.000 0.974 242 L CA -2.608 52.163 54.840 -0.115 0.000 0.822 242 L CB 2.248 44.182 42.059 -0.209 0.000 1.339 242 L HN 0.188 nan 8.230 nan 0.000 0.409 243 P HA 0.189 nan 4.420 nan 0.000 0.265 243 P C -2.196 174.975 177.300 -0.215 0.000 1.193 243 P CA -0.836 62.120 63.100 -0.240 0.000 0.765 243 P CB 0.257 31.770 31.700 -0.313 0.000 0.823 244 P HA -0.172 nan 4.420 nan 0.000 0.220 244 P C 1.041 178.257 177.300 -0.139 0.000 1.148 244 P CA 1.276 64.295 63.100 -0.134 0.000 0.803 244 P CB -0.238 31.404 31.700 -0.096 0.000 0.782 245 E N -0.432 119.681 120.200 -0.146 0.000 2.478 245 E HA -0.048 4.302 4.350 -0.000 0.000 0.198 245 E C 1.491 177.987 176.600 -0.172 0.000 1.046 245 E CA 0.510 56.828 56.400 -0.136 0.000 0.870 245 E CB -0.806 28.825 29.700 -0.116 0.000 0.818 245 E HN 0.262 nan 8.360 nan 0.000 0.527 246 L N 0.293 121.384 121.223 -0.221 0.000 2.463 246 L HA 0.184 4.523 4.340 -0.000 0.000 0.219 246 L C 0.523 177.246 176.870 -0.244 0.000 1.088 246 L CA -0.380 54.305 54.840 -0.257 0.000 0.849 246 L CB 0.409 42.264 42.059 -0.340 0.000 1.012 246 L HN 0.185 nan 8.230 nan 0.000 0.468 247 C N 1.834 121.005 119.300 -0.214 0.000 2.349 247 C HA 0.284 4.744 4.460 -0.000 0.000 0.348 247 C C 0.565 175.461 174.990 -0.157 0.000 1.223 247 C CA -0.913 57.991 59.018 -0.190 0.000 1.746 247 C CB -0.419 27.220 27.740 -0.169 0.000 2.360 247 C HN 0.197 nan 8.230 nan 0.000 0.533 248 L N 5.094 126.209 121.223 -0.180 0.000 2.261 248 L HA 0.415 4.755 4.340 -0.000 0.000 0.289 248 L C -0.100 176.732 176.870 -0.064 0.000 1.059 248 L CA -0.441 54.314 54.840 -0.142 0.000 0.816 248 L CB 0.463 42.383 42.059 -0.231 0.000 1.191 248 L HN 0.723 nan 8.230 nan 0.000 0.431 249 L N 6.334 127.540 121.223 -0.028 0.000 2.456 249 L HA 0.248 4.588 4.340 -0.000 0.000 0.277 249 L C -0.403 176.501 176.870 0.056 0.000 1.124 249 L CA -0.094 54.753 54.840 0.011 0.000 0.880 249 L CB 0.333 42.398 42.059 0.010 0.000 1.192 249 L HN 0.575 nan 8.230 nan 0.000 0.463 250 L N 7.900 129.173 121.223 0.084 0.000 2.426 250 L HA 0.293 4.633 4.340 -0.000 0.000 0.271 250 L C -1.657 175.324 176.870 0.186 0.000 1.169 250 L CA -1.870 53.061 54.840 0.153 0.000 0.836 250 L CB 0.015 42.168 42.059 0.157 0.000 1.112 250 L HN 0.529 nan 8.230 nan 0.000 0.465 251 P HA -0.030 nan 4.420 nan 0.000 0.269 251 P C -0.322 177.062 177.300 0.141 0.000 1.211 251 P CA -0.093 63.116 63.100 0.180 0.000 0.781 251 P CB 0.633 32.453 31.700 0.199 0.000 0.877 252 D N 0.234 120.671 120.400 0.062 0.000 2.265 252 D HA -0.173 4.467 4.640 -0.000 0.000 0.208 252 D C 1.670 177.959 176.300 -0.018 0.000 0.977 252 D CA 1.245 55.262 54.000 0.028 0.000 0.871 252 D CB -0.056 40.749 40.800 0.009 0.000 0.925 252 D HN 0.539 nan 8.370 nan 0.000 0.485 253 E N 0.064 120.206 120.200 -0.096 0.000 2.110 253 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 253 E C 0.372 176.804 176.600 -0.281 0.000 0.988 253 E CA 0.586 56.834 56.400 -0.254 0.000 0.804 253 E CB -0.251 29.192 29.700 -0.428 0.000 0.745 253 E HN 0.391 nan 8.360 nan 0.000 0.458 254 F N 3.247 123.225 119.950 0.047 0.000 2.626 254 F HA 0.050 4.577 4.527 -0.000 0.000 0.353 254 F C 0.748 176.574 175.800 0.043 0.000 1.230 254 F CA -0.939 57.095 58.000 0.056 0.000 1.298 254 F CB -0.036 39.008 39.000 0.073 0.000 1.670 254 F HN -0.054 nan 8.300 nan 0.000 0.633 255 D N 0.542 121.030 120.400 0.147 0.000 2.447 255 D HA -0.002 4.638 4.640 -0.000 0.000 0.265 255 D C 1.504 177.869 176.300 0.109 0.000 1.250 255 D CA -0.564 53.495 54.000 0.098 0.000 1.046 255 D CB 0.554 41.380 40.800 0.044 0.000 1.095 255 D HN 0.268 nan 8.370 nan 0.000 0.555 256 L N -0.214 121.050 121.223 0.068 0.000 2.012 256 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 256 L C 2.106 179.023 176.870 0.078 0.000 1.073 256 L CA 1.644 56.521 54.840 0.062 0.000 0.748 256 L CB -0.550 41.527 42.059 0.030 0.000 0.891 256 L HN 0.434 nan 8.230 nan 0.000 0.431 257 I N -0.748 119.861 120.570 0.066 0.000 2.127 257 I HA -0.260 3.910 4.170 -0.000 0.000 0.241 257 I C 2.681 178.872 176.117 0.123 0.000 1.075 257 I CA 1.223 62.565 61.300 0.070 0.000 1.334 257 I CB -1.430 36.587 38.000 0.028 0.000 1.040 257 I HN 0.340 nan 8.210 nan 0.000 0.405 258 R N 0.877 121.457 120.500 0.133 0.000 2.082 258 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 258 R C 2.420 178.923 176.300 0.339 0.000 1.136 258 R CA 1.195 57.436 56.100 0.236 0.000 0.935 258 R CB -1.104 29.329 30.300 0.221 0.000 0.842 258 R HN 0.263 nan 8.270 nan 0.000 0.430 259 V N 1.187 121.258 119.914 0.261 0.000 2.407 259 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 259 V C 2.601 178.768 176.094 0.121 0.000 1.055 259 V CA 1.829 64.245 62.300 0.193 0.000 1.049 259 V CB -0.518 31.386 31.823 0.135 0.000 0.662 259 V HN 0.405 nan 8.190 nan 0.000 0.455 260 Q N -0.378 119.495 119.800 0.122 0.000 2.020 260 Q HA -0.141 4.199 4.340 -0.000 0.000 0.198 260 Q C 2.371 178.476 176.000 0.175 0.000 0.974 260 Q CA 1.620 57.478 55.803 0.093 0.000 0.829 260 Q CB -0.308 28.498 28.738 0.113 0.000 0.894 260 Q HN 0.616 nan 8.270 nan 0.000 0.433 261 A N 0.930 123.915 122.820 0.275 0.000 1.948 261 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 261 A C 1.993 179.680 177.584 0.172 0.000 1.177 261 A CA 1.550 53.794 52.037 0.345 0.000 0.636 261 A CB -0.879 18.353 19.000 0.387 0.000 0.815 261 A HN 0.516 nan 8.150 nan 0.000 0.449 262 L N -0.547 120.762 121.223 0.144 0.000 2.127 262 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 262 L C 2.083 178.834 176.870 -0.199 0.000 1.089 262 L CA 2.211 56.996 54.840 -0.092 0.000 0.757 262 L CB -0.610 41.507 42.059 0.097 0.000 0.899 262 L HN 0.365 nan 8.230 nan 0.000 0.434 263 Q N -0.778 118.908 119.800 -0.190 0.000 2.364 263 Q HA -0.125 4.215 4.340 -0.000 0.000 0.209 263 Q C 1.956 177.665 176.000 -0.485 0.000 0.977 263 Q CA 1.517 57.109 55.803 -0.352 0.000 0.885 263 Q CB -0.400 28.078 28.738 -0.435 0.000 0.941 263 Q HN 0.641 nan 8.270 nan 0.000 0.464 264 F N -0.554 119.255 119.950 -0.234 0.000 2.754 264 F HA 0.093 4.620 4.527 -0.000 0.000 0.297 264 F C 1.904 177.500 175.800 -0.341 0.000 1.122 264 F CA -0.062 57.797 58.000 -0.234 0.000 1.400 264 F CB -0.075 38.799 39.000 -0.209 0.000 1.117 264 F HN -0.046 nan 8.300 nan 0.000 0.587 265 L N 0.542 121.522 121.223 -0.406 0.000 2.079 265 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 265 L C -0.444 176.139 176.870 -0.477 0.000 1.081 265 L CA 1.357 55.729 54.840 -0.780 0.000 0.752 265 L CB -1.934 39.359 42.059 -1.276 0.000 0.896 265 L HN 0.063 nan 8.230 nan 0.000 0.433 266 P HA -0.185 nan 4.420 nan 0.000 0.216 266 P C 1.343 178.622 177.300 -0.035 0.000 1.150 266 P CA 1.227 64.257 63.100 -0.117 0.000 0.843 266 P CB 0.012 31.468 31.700 -0.406 0.000 0.787 267 E N -0.614 119.580 120.200 -0.010 0.000 2.106 267 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 267 E C 2.099 178.769 176.600 0.115 0.000 0.984 267 E CA 0.964 57.409 56.400 0.075 0.000 0.806 267 E CB -0.767 29.069 29.700 0.227 0.000 0.750 267 E HN 0.361 nan 8.360 nan 0.000 0.458 268 I N 1.145 121.832 120.570 0.196 0.000 2.394 268 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 268 I C 2.422 178.663 176.117 0.207 0.000 1.136 268 I CA 0.943 62.449 61.300 0.344 0.000 1.425 268 I CB -0.263 37.918 38.000 0.302 0.000 1.079 268 I HN -0.018 nan 8.210 nan 0.000 0.425 269 A N 0.796 123.676 122.820 0.100 0.000 1.897 269 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 269 A C 2.320 179.932 177.584 0.047 0.000 1.181 269 A CA 1.316 53.416 52.037 0.105 0.000 0.620 269 A CB -0.334 18.795 19.000 0.215 0.000 0.821 269 A HN 0.277 nan 8.150 nan 0.000 0.443 270 K N -1.352 119.053 120.400 0.009 0.000 2.097 270 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 270 K C 2.055 178.552 176.600 -0.172 0.000 1.049 270 K CA 1.593 57.828 56.287 -0.087 0.000 0.933 270 K CB -0.297 32.147 32.500 -0.093 0.000 0.717 270 K HN 0.714 nan 8.250 nan 0.000 0.442 271 H N 1.037 119.937 119.070 -0.284 0.000 2.293 271 H HA -0.020 4.536 4.556 -0.000 0.000 0.300 271 H C 1.812 176.940 175.328 -0.333 0.000 1.082 271 H CA 1.669 57.472 56.048 -0.408 0.000 1.308 271 H CB -0.123 29.335 29.762 -0.507 0.000 1.375 271 H HN 0.047 nan 8.280 nan 0.000 0.495 272 I N -0.530 119.882 120.570 -0.263 0.000 2.286 272 I HA -0.323 3.847 4.170 -0.000 0.000 0.248 272 I C 2.814 178.792 176.117 -0.232 0.000 1.115 272 I CA 1.120 62.240 61.300 -0.299 0.000 1.392 272 I CB -0.298 37.600 38.000 -0.170 0.000 1.065 272 I HN 0.501 nan 8.210 nan 0.000 0.418 273 C N 0.644 119.856 119.300 -0.146 0.000 2.446 273 C HA -0.183 4.277 4.460 -0.000 0.000 0.277 273 C C 2.668 177.605 174.990 -0.090 0.000 1.275 273 C CA 1.456 60.446 59.018 -0.046 0.000 1.727 273 C CB -0.799 26.937 27.740 -0.007 0.000 2.010 273 C HN 0.537 nan 8.230 nan 0.000 0.486 274 D N 0.478 120.724 120.400 -0.257 0.000 2.097 274 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 274 D C 1.978 178.102 176.300 -0.294 0.000 0.989 274 D CA 1.656 55.504 54.000 -0.254 0.000 0.827 274 D CB -0.481 40.087 40.800 -0.387 0.000 0.966 274 D HN 0.614 nan 8.370 nan 0.000 0.456 275 I N 0.499 120.705 120.570 -0.607 0.000 2.091 275 I HA -0.337 3.833 4.170 -0.000 0.000 0.239 275 I C 2.679 178.676 176.117 -0.199 0.000 1.061 275 I CA 1.358 62.295 61.300 -0.605 0.000 1.317 275 I CB -0.380 37.238 38.000 -0.637 0.000 1.031 275 I HN 0.128 nan 8.210 nan 0.000 0.401 276 Q N 0.154 119.863 119.800 -0.151 0.000 2.096 276 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 276 Q C 2.114 178.098 176.000 -0.028 0.000 0.982 276 Q CA 1.674 57.433 55.803 -0.075 0.000 0.850 276 Q CB -0.471 28.224 28.738 -0.072 0.000 0.901 276 Q HN 0.564 nan 8.270 nan 0.000 0.422 277 N N 0.248 118.974 118.700 0.043 0.000 2.028 277 N HA -0.156 4.584 4.740 -0.000 0.000 0.194 277 N C 1.625 177.176 175.510 0.069 0.000 1.050 277 N CA 2.038 55.139 53.050 0.086 0.000 0.848 277 N CB -0.160 38.474 38.487 0.245 0.000 1.038 277 N HN 0.096 nan 8.380 nan 0.000 0.423 278 T N 2.335 116.978 114.554 0.149 0.000 2.624 278 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 278 T C 2.091 176.806 174.700 0.025 0.000 1.050 278 T CA 1.919 64.116 62.100 0.161 0.000 1.163 278 T CB -0.424 68.705 68.868 0.436 0.000 0.861 278 T HN 0.260 nan 8.240 nan 0.000 0.443 279 I N 1.077 121.673 120.570 0.043 0.000 2.069 279 I HA -0.197 3.973 4.170 -0.000 0.000 0.237 279 I C 2.134 178.229 176.117 -0.037 0.000 1.053 279 I CA 1.344 62.646 61.300 0.003 0.000 1.311 279 I CB -0.438 37.566 38.000 0.007 0.000 1.030 279 I HN 0.445 nan 8.210 nan 0.000 0.398 280 C N 0.192 119.466 119.300 -0.044 0.000 2.882 280 C HA 0.718 5.178 4.460 -0.000 0.000 0.492 280 C C 1.210 176.163 174.990 -0.062 0.000 1.279 280 C CA -0.189 58.794 59.018 -0.060 0.000 1.551 280 C CB -1.498 26.196 27.740 -0.077 0.000 2.037 280 C HN 0.473 nan 8.230 nan 0.000 0.625 281 A N 0.540 123.313 122.820 -0.078 0.000 1.996 281 A HA 0.404 4.724 4.320 -0.000 0.000 0.185 281 A C 1.185 178.660 177.584 -0.181 0.000 1.803 281 A CA 0.169 52.151 52.037 -0.092 0.000 1.335 281 A CB 0.055 19.018 19.000 -0.062 0.000 1.486 281 A HN 0.518 nan 8.150 nan 0.000 0.408 282 L N -0.645 120.448 121.223 -0.217 0.000 2.993 282 L HA 0.195 4.535 4.340 -0.000 0.000 0.264 282 L C 1.498 178.282 176.870 -0.142 0.000 1.154 282 L CA 0.517 55.180 54.840 -0.296 0.000 0.972 282 L CB 0.663 42.398 42.059 -0.540 0.000 1.373 282 L HN 0.293 nan 8.230 nan 0.000 0.564 283 D N 1.498 121.848 120.400 -0.083 0.000 2.178 283 D HA -0.174 4.466 4.640 -0.000 0.000 0.201 283 D C 1.724 178.018 176.300 -0.009 0.000 0.980 283 D CA 1.481 55.471 54.000 -0.018 0.000 0.842 283 D CB 0.358 41.150 40.800 -0.013 0.000 0.948 283 D HN 0.155 nan 8.370 nan 0.000 0.472 284 K N -0.894 119.485 120.400 -0.035 0.000 2.426 284 K HA 0.195 4.515 4.320 -0.000 0.000 0.193 284 K C 1.340 177.918 176.600 -0.036 0.000 1.028 284 K CA 0.231 56.498 56.287 -0.032 0.000 1.047 284 K CB 0.555 33.034 32.500 -0.036 0.000 0.821 284 K HN -0.113 nan 8.250 nan 0.000 0.513 285 S N 0.123 115.796 115.700 -0.046 0.000 2.539 285 S HA 0.203 4.673 4.470 -0.000 0.000 0.221 285 S C -0.755 173.856 174.600 0.019 0.000 0.987 285 S CA -0.450 57.720 58.200 -0.050 0.000 0.929 285 S CB 0.136 63.263 63.200 -0.121 0.000 0.832 285 S HN 0.186 nan 8.310 nan 0.000 0.492 286 F N 3.047 122.912 119.950 -0.143 0.000 2.507 286 F HA 0.496 5.023 4.527 -0.000 0.000 0.328 286 F C -2.912 172.825 175.800 -0.106 0.000 1.136 286 F CA -2.580 55.338 58.000 -0.136 0.000 0.930 286 F CB 1.066 39.963 39.000 -0.171 0.000 1.166 286 F HN -0.152 nan 8.300 nan 0.000 0.436 287 P HA -0.073 nan 4.420 nan 0.000 0.259 287 P C -0.935 176.130 177.300 -0.391 0.000 1.163 287 P CA 0.409 63.222 63.100 -0.478 0.000 0.760 287 P CB 0.359 31.617 31.700 -0.736 0.000 0.762 288 D N 2.483 122.778 120.400 -0.174 0.000 2.383 288 D HA 0.002 4.642 4.640 -0.000 0.000 0.252 288 D C 0.719 176.962 176.300 -0.094 0.000 1.166 288 D CA -0.309 53.639 54.000 -0.087 0.000 0.879 288 D CB 0.272 41.049 40.800 -0.039 0.000 1.164 288 D HN 0.438 nan 8.370 nan 0.000 0.462 289 C N 1.912 121.183 119.300 -0.049 0.000 3.070 289 C HA 0.625 5.085 4.460 -0.000 0.000 0.280 289 C C 1.668 176.661 174.990 0.005 0.000 1.264 289 C CA 0.225 59.225 59.018 -0.030 0.000 1.690 289 C CB -0.715 27.023 27.740 -0.003 0.000 2.049 289 C HN 0.749 nan 8.230 nan 0.000 0.636 290 G N 1.227 110.033 108.800 0.011 0.000 2.176 290 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.253 290 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.253 290 G C 0.178 175.094 174.900 0.028 0.000 0.979 290 G CA 0.153 45.262 45.100 0.015 0.000 0.641 290 G HN 0.733 nan 8.290 nan 0.000 0.530 291 R N 0.084 120.610 120.500 0.044 0.000 2.679 291 R HA 0.657 4.997 4.340 -0.000 0.000 0.269 291 R C 0.899 177.233 176.300 0.057 0.000 1.076 291 R CA 0.468 56.604 56.100 0.060 0.000 1.160 291 R CB 0.591 30.944 30.300 0.087 0.000 1.054 291 R HN 0.688 nan 8.270 nan 0.000 0.507 292 I N -2.858 117.749 120.570 0.061 0.000 3.108 292 I HA 0.686 4.856 4.170 -0.000 0.000 0.312 292 I C 0.653 176.812 176.117 0.070 0.000 1.095 292 I CA -0.601 60.733 61.300 0.057 0.000 1.000 292 I CB 1.899 39.926 38.000 0.045 0.000 1.229 292 I HN 0.729 nan 8.210 nan 0.000 0.454 293 G N 2.153 110.988 108.800 0.058 0.000 2.652 293 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.318 293 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.318 293 G C 0.829 175.772 174.900 0.072 0.000 1.295 293 G CA 0.894 46.021 45.100 0.045 0.000 0.999 293 G HN 1.576 nan 8.290 nan 0.000 0.548 294 G N -0.609 108.218 108.800 0.045 0.000 2.476 294 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.218 294 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.218 294 G C 1.571 176.599 174.900 0.213 0.000 1.164 294 G CA 1.747 46.895 45.100 0.080 0.000 0.768 294 G HN 0.818 nan 8.290 nan 0.000 0.560 295 E N -0.311 119.988 120.200 0.165 0.000 2.106 295 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 295 E C 2.605 179.329 176.600 0.206 0.000 0.984 295 E CA 0.684 57.203 56.400 0.199 0.000 0.806 295 E CB -0.048 29.740 29.700 0.147 0.000 0.750 295 E HN 0.223 nan 8.360 nan 0.000 0.458 296 R N 0.562 121.159 120.500 0.161 0.000 2.096 296 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 296 R C 2.046 178.431 176.300 0.141 0.000 1.127 296 R CA 1.412 57.593 56.100 0.136 0.000 0.968 296 R CB -0.848 29.514 30.300 0.103 0.000 0.861 296 R HN 0.290 nan 8.270 nan 0.000 0.440 297 Y N -0.192 120.149 120.300 0.068 0.000 2.070 297 Y HA -0.235 4.315 4.550 0.000 0.000 0.280 297 Y C 1.861 177.830 175.900 0.115 0.000 1.148 297 Y CA 2.136 60.275 58.100 0.065 0.000 1.125 297 Y CB -0.985 37.496 38.460 0.034 0.000 0.975 297 Y HN 0.131 nan 8.280 nan 0.000 0.492 298 F N 0.701 120.558 119.950 -0.154 0.000 2.250 298 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 298 F C 2.278 178.010 175.800 -0.112 0.000 1.077 298 F CA 1.210 59.083 58.000 -0.212 0.000 1.348 298 F CB -0.712 38.314 39.000 0.043 0.000 1.040 298 F HN 0.201 nan 8.300 nan 0.000 0.509 299 A N 0.445 123.273 122.820 0.013 0.000 1.873 299 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 299 A C 2.259 179.731 177.584 -0.185 0.000 1.186 299 A CA 1.801 53.840 52.037 0.003 0.000 0.616 299 A CB -1.041 18.038 19.000 0.132 0.000 0.823 299 A HN 0.414 nan 8.150 nan 0.000 0.442 300 I N -0.245 120.142 120.570 -0.304 0.000 2.286 300 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 300 I C 2.553 178.422 176.117 -0.414 0.000 1.115 300 I CA 1.648 62.564 61.300 -0.640 0.000 1.392 300 I CB -0.688 37.013 38.000 -0.499 0.000 1.065 300 I HN 0.260 nan 8.210 nan 0.000 0.418 301 T N 0.971 115.300 114.554 -0.376 0.000 2.674 301 T HA -0.188 4.162 4.350 -0.000 0.000 0.265 301 T C 2.118 176.671 174.700 -0.244 0.000 1.039 301 T CA 1.586 63.468 62.100 -0.363 0.000 1.150 301 T CB -0.434 67.977 68.868 -0.762 0.000 0.864 301 T HN 0.477 nan 8.240 nan 0.000 0.427 302 A N 1.255 123.857 122.820 -0.363 0.000 1.978 302 A HA 0.080 4.400 4.320 -0.000 0.000 0.220 302 A C 2.568 180.181 177.584 0.049 0.000 1.170 302 A CA 1.892 53.836 52.037 -0.155 0.000 0.636 302 A CB -1.231 17.635 19.000 -0.223 0.000 0.810 302 A HN 0.539 nan 8.150 nan 0.000 0.448 303 G N -1.162 107.626 108.800 -0.020 0.000 2.453 303 G HA2 0.132 4.092 3.960 -0.000 0.000 0.215 303 G HA3 0.132 4.092 3.960 -0.000 0.000 0.215 303 G C 1.372 176.305 174.900 0.056 0.000 1.147 303 G CA 0.902 46.075 45.100 0.122 0.000 0.802 303 G HN 0.426 nan 8.290 nan 0.000 0.535 304 L N -0.823 120.362 121.223 -0.064 0.000 2.717 304 L HA 0.346 4.686 4.340 -0.000 0.000 0.239 304 L C 0.646 177.585 176.870 0.116 0.000 1.086 304 L CA -0.261 54.602 54.840 0.037 0.000 0.897 304 L CB 0.388 42.457 42.059 0.017 0.000 1.214 304 L HN -0.118 nan 8.230 nan 0.000 0.508 305 R N 2.020 122.563 120.500 0.072 0.000 2.419 305 R HA 0.237 4.577 4.340 -0.000 0.000 0.305 305 R C 0.755 177.090 176.300 0.058 0.000 1.242 305 R CA 0.031 56.162 56.100 0.052 0.000 1.105 305 R CB 0.464 30.730 30.300 -0.056 0.000 1.116 305 R HN 0.307 nan 8.270 nan 0.000 0.523 306 L N 0.437 121.671 121.223 0.018 0.000 2.270 306 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 306 L C 1.035 177.838 176.870 -0.111 0.000 1.104 306 L CA 0.704 55.445 54.840 -0.166 0.000 0.804 306 L CB -0.203 41.758 42.059 -0.164 0.000 0.937 306 L HN 0.435 nan 8.230 nan 0.000 0.450 307 D N -0.238 120.195 120.400 0.055 0.000 2.529 307 D HA 0.179 4.819 4.640 -0.000 0.000 0.273 307 D C -0.095 176.264 176.300 0.099 0.000 1.197 307 D CA -0.658 53.382 54.000 0.067 0.000 1.070 307 D CB 0.450 41.334 40.800 0.139 0.000 1.134 307 D HN 0.104 nan 8.370 nan 0.000 0.590 308 Q N -0.783 119.076 119.800 0.098 0.000 2.169 308 Q HA 0.533 4.873 4.340 -0.000 0.000 0.234 308 Q C 0.670 176.734 176.000 0.106 0.000 0.980 308 Q CA -1.253 54.647 55.803 0.162 0.000 0.941 308 Q CB 0.531 29.336 28.738 0.111 0.000 1.199 308 Q HN 0.554 nan 8.270 nan 0.000 0.496 309 G N 0.395 109.247 108.800 0.088 0.000 2.744 309 G HA2 0.037 3.997 3.960 -0.000 0.000 0.257 309 G HA3 0.037 3.997 3.960 -0.000 0.000 0.257 309 G C -0.646 174.253 174.900 -0.001 0.000 1.244 309 G CA -0.530 44.581 45.100 0.017 0.000 0.916 309 G HN 0.569 nan 8.290 nan 0.000 0.564 310 R N 0.113 120.589 120.500 -0.040 0.000 2.332 310 R HA 0.455 4.795 4.340 -0.000 0.000 0.306 310 R C 1.261 177.507 176.300 -0.089 0.000 1.117 310 R CA 0.664 56.733 56.100 -0.052 0.000 1.108 310 R CB -0.019 30.247 30.300 -0.057 0.000 1.126 310 R HN 1.039 nan 8.270 nan 0.000 0.548 311 G N 4.493 113.256 108.800 -0.063 0.000 5.218 311 G HA2 -0.536 3.424 3.960 -0.000 0.000 0.342 311 G HA3 -0.536 3.424 3.960 -0.000 0.000 0.342 311 G C 1.146 175.972 174.900 -0.122 0.000 1.391 311 G CA 0.734 45.788 45.100 -0.076 0.000 1.096 311 G HN 0.675 nan 8.290 nan 0.000 0.831 312 R N 1.333 121.677 120.500 -0.260 0.000 2.096 312 R HA 0.304 4.644 4.340 -0.000 0.000 0.240 312 R C 1.435 177.596 176.300 -0.232 0.000 1.139 312 R CA 2.212 58.037 56.100 -0.459 0.000 0.952 312 R CB -0.571 29.166 30.300 -0.939 0.000 0.854 312 R HN 2.115 nan 8.270 nan 0.000 0.436 313 G N -0.905 107.799 108.800 -0.159 0.000 2.337 313 G HA2 0.167 4.127 3.960 -0.000 0.000 0.298 313 G HA3 0.167 4.127 3.960 -0.000 0.000 0.298 313 G C -0.464 174.406 174.900 -0.050 0.000 1.335 313 G CA -0.300 44.773 45.100 -0.046 0.000 0.875 313 G HN 0.095 nan 8.290 nan 0.000 0.579 314 L N 0.555 121.765 121.223 -0.021 0.000 1.988 314 L HA 0.566 4.906 4.340 -0.000 0.000 0.207 314 L C 1.873 178.697 176.870 -0.077 0.000 1.071 314 L CA 2.836 57.636 54.840 -0.066 0.000 0.744 314 L CB -0.442 41.537 42.059 -0.134 0.000 0.893 314 L HN 1.347 nan 8.230 nan 0.000 0.433 315 A N -1.036 121.757 122.820 -0.045 0.000 2.394 315 A HA 0.600 4.920 4.320 -0.000 0.000 0.333 315 A C 0.750 178.330 177.584 -0.007 0.000 1.397 315 A CA -0.008 52.012 52.037 -0.029 0.000 0.884 315 A CB -0.427 18.565 19.000 -0.014 0.000 1.147 315 A HN 0.836 nan 8.150 nan 0.000 0.505 316 G N 1.664 110.460 108.800 -0.007 0.000 2.574 316 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.301 316 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.301 316 G C 0.469 175.346 174.900 -0.039 0.000 1.166 316 G CA 1.001 46.124 45.100 0.038 0.000 0.971 316 G HN 0.914 nan 8.290 nan 0.000 0.542 317 W N 2.983 124.295 121.300 0.019 0.000 3.220 317 W HA 0.441 5.101 4.660 0.000 0.000 0.328 317 W C 1.489 178.053 176.519 0.076 0.000 1.205 317 W CA 0.274 57.651 57.345 0.053 0.000 1.773 317 W CB 0.289 29.791 29.460 0.071 0.000 1.086 317 W HN 0.630 nan 8.180 nan 0.000 0.622 318 R N -0.389 120.235 120.500 0.206 0.000 2.637 318 R HA 0.764 5.104 4.340 -0.000 0.000 0.291 318 R C -0.598 175.777 176.300 0.125 0.000 0.963 318 R CA -0.613 55.591 56.100 0.173 0.000 0.901 318 R CB 1.194 31.457 30.300 -0.061 0.000 1.160 318 R HN -0.297 nan 8.270 nan 0.000 0.457 319 T N 3.539 118.219 114.554 0.211 0.000 2.934 319 T HA 0.315 4.665 4.350 -0.000 0.000 0.328 319 T C -2.580 172.301 174.700 0.302 0.000 1.068 319 T CA -1.544 60.672 62.100 0.193 0.000 1.018 319 T CB 1.576 70.559 68.868 0.192 0.000 1.009 319 T HN 0.413 nan 8.240 nan 0.000 0.471 320 P HA 0.377 nan 4.420 nan 0.000 0.271 320 P C -0.825 176.759 177.300 0.474 0.000 1.216 320 P CA -0.410 62.903 63.100 0.354 0.000 0.776 320 P CB 0.224 32.241 31.700 0.527 0.000 0.881 321 F N -0.590 119.543 119.950 0.306 0.000 2.576 321 F HA 0.808 5.335 4.527 -0.000 0.000 0.313 321 F C 0.375 176.053 175.800 -0.202 0.000 1.078 321 F CA -1.160 56.969 58.000 0.215 0.000 0.921 321 F CB 0.809 39.910 39.000 0.168 0.000 1.232 321 F HN 0.343 nan 8.300 nan 0.000 0.459 322 G N 0.671 109.398 108.800 -0.123 0.000 2.553 322 G HA2 0.539 4.499 3.960 -0.000 0.000 0.278 322 G HA3 0.539 4.499 3.960 -0.000 0.000 0.278 322 G C -2.923 172.043 174.900 0.109 0.000 1.349 322 G CA -1.867 43.001 45.100 -0.388 0.000 1.037 322 G HN 0.522 nan 8.290 nan 0.000 0.508 323 P HA 0.202 nan 4.420 nan 0.000 0.266 323 P C -0.474 177.000 177.300 0.291 0.000 1.195 323 P CA 0.215 63.372 63.100 0.096 0.000 0.768 323 P CB 0.016 31.772 31.700 0.093 0.000 0.838 324 F N 0.699 120.709 119.950 0.100 0.000 3.018 324 F HA -0.178 4.349 4.527 0.000 0.000 0.287 324 F C 1.339 177.169 175.800 0.050 0.000 0.813 324 F CA 0.897 58.930 58.000 0.054 0.000 1.209 324 F CB -2.611 36.410 39.000 0.035 0.000 1.321 324 F HN 0.647 nan 8.300 nan 0.000 0.477 325 G N 0.132 109.046 108.800 0.190 0.000 2.323 325 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.292 325 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.292 325 G C -0.154 174.826 174.900 0.133 0.000 1.040 325 G CA 0.008 45.109 45.100 0.002 0.000 0.942 325 G HN 0.800 nan 8.290 nan 0.000 0.506 326 V N 0.729 120.810 119.914 0.279 0.000 2.432 326 V HA 0.559 4.679 4.120 -0.000 0.000 0.275 326 V C 1.283 177.612 176.094 0.390 0.000 1.043 326 V CA -0.074 62.397 62.300 0.284 0.000 0.925 326 V CB 1.394 33.386 31.823 0.282 0.000 0.985 326 V HN 0.956 nan 8.190 nan 0.000 0.466 327 S N 4.352 120.241 115.700 0.315 0.000 2.558 327 S HA -0.084 4.386 4.470 -0.000 0.000 0.291 327 S C 1.556 176.401 174.600 0.408 0.000 1.306 327 S CA 0.407 58.819 58.200 0.354 0.000 1.056 327 S CB 0.246 63.569 63.200 0.205 0.000 0.836 327 S HN 0.988 nan 8.310 nan 0.000 0.504 328 H N 3.191 122.442 119.070 0.302 0.000 2.456 328 H HA -0.050 4.506 4.556 0.000 0.000 0.296 328 H C 1.608 176.973 175.328 0.063 0.000 1.079 328 H CA 1.964 58.049 56.048 0.062 0.000 1.322 328 H CB -1.417 28.204 29.762 -0.235 0.000 1.388 328 H HN 0.650 nan 8.280 nan 0.000 0.538 329 T N 1.633 115.893 114.554 -0.489 0.000 2.701 329 T HA -0.119 4.231 4.350 -0.000 0.000 0.263 329 T C 1.457 176.168 174.700 0.020 0.000 1.040 329 T CA 1.469 63.386 62.100 -0.304 0.000 1.147 329 T CB -0.227 68.470 68.868 -0.285 0.000 0.865 329 T HN 0.370 nan 8.240 nan 0.000 0.426 330 D N 0.968 121.410 120.400 0.071 0.000 2.133 330 D HA -0.089 4.551 4.640 -0.000 0.000 0.195 330 D C 2.243 178.642 176.300 0.166 0.000 0.997 330 D CA 0.697 54.772 54.000 0.124 0.000 0.840 330 D CB -0.754 40.126 40.800 0.134 0.000 0.947 330 D HN 0.196 nan 8.370 nan 0.000 0.452 331 V N 0.943 120.983 119.914 0.210 0.000 2.233 331 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 331 V C 2.215 178.425 176.094 0.195 0.000 1.050 331 V CA 1.744 64.188 62.300 0.240 0.000 1.010 331 V CB -0.748 31.267 31.823 0.321 0.000 0.637 331 V HN 0.123 nan 8.190 nan 0.000 0.444 332 F N 0.395 120.364 119.950 0.031 0.000 2.154 332 F HA -0.300 4.227 4.527 -0.000 0.000 0.301 332 F C 2.567 178.391 175.800 0.039 0.000 1.087 332 F CA 2.394 60.406 58.000 0.020 0.000 1.274 332 F CB -0.191 38.794 39.000 -0.025 0.000 1.009 332 F HN 0.149 nan 8.300 nan 0.000 0.485 333 Q N 0.349 120.287 119.800 0.231 0.000 2.079 333 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 333 Q C 2.370 178.391 176.000 0.035 0.000 0.974 333 Q CA 1.886 57.776 55.803 0.145 0.000 0.840 333 Q CB -0.123 28.710 28.738 0.159 0.000 0.898 333 Q HN 0.560 nan 8.270 nan 0.000 0.430 334 R N -0.467 120.080 120.500 0.078 0.000 2.210 334 R HA 0.021 4.361 4.340 -0.000 0.000 0.203 334 R C 1.988 178.333 176.300 0.075 0.000 1.010 334 R CA 0.456 56.622 56.100 0.110 0.000 1.008 334 R CB -0.265 30.147 30.300 0.186 0.000 0.923 334 R HN 0.242 nan 8.270 nan 0.000 0.469 335 L N 1.291 122.521 121.223 0.011 0.000 2.240 335 L HA -0.013 4.326 4.340 -0.000 0.000 0.211 335 L C 2.714 179.471 176.870 -0.187 0.000 1.106 335 L CA 1.143 55.935 54.840 -0.079 0.000 0.793 335 L CB -0.337 41.693 42.059 -0.048 0.000 0.927 335 L HN 0.343 nan 8.230 nan 0.000 0.446 336 E N 0.637 120.664 120.200 -0.288 0.000 2.047 336 E HA -0.258 4.092 4.350 -0.000 0.000 0.191 336 E C 2.227 178.740 176.600 -0.145 0.000 0.987 336 E CA 1.113 57.334 56.400 -0.300 0.000 0.799 336 E CB 0.035 29.488 29.700 -0.412 0.000 0.752 336 E HN 0.278 nan 8.360 nan 0.000 0.449 337 L N 1.233 122.399 121.223 -0.096 0.000 2.012 337 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 337 L C 2.347 179.172 176.870 -0.076 0.000 1.073 337 L CA 1.603 56.412 54.840 -0.051 0.000 0.748 337 L CB -0.791 41.263 42.059 -0.008 0.000 0.891 337 L HN 0.289 nan 8.230 nan 0.000 0.431 338 L N -0.381 120.774 121.223 -0.113 0.000 2.072 338 L HA 0.143 4.483 4.340 -0.000 0.000 0.205 338 L C 2.292 179.030 176.870 -0.219 0.000 1.079 338 L CA 1.894 56.620 54.840 -0.189 0.000 0.752 338 L CB -1.304 40.581 42.059 -0.290 0.000 0.906 338 L HN 0.277 nan 8.230 nan 0.000 0.436 339 G N -0.979 107.715 108.800 -0.176 0.000 2.402 339 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.216 339 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.216 339 G C 1.413 176.267 174.900 -0.077 0.000 1.162 339 G CA 0.738 45.752 45.100 -0.143 0.000 0.777 339 G HN 0.498 nan 8.290 nan 0.000 0.539 340 D N 1.376 121.743 120.400 -0.055 0.000 2.149 340 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 340 D C 2.623 178.914 176.300 -0.014 0.000 0.990 340 D CA 1.314 55.311 54.000 -0.005 0.000 0.839 340 D CB -0.248 40.549 40.800 -0.006 0.000 0.948 340 D HN 0.255 nan 8.370 nan 0.000 0.460 341 A N 0.396 123.177 122.820 -0.066 0.000 2.014 341 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 341 A C 2.488 180.024 177.584 -0.081 0.000 1.163 341 A CA 1.673 53.665 52.037 -0.075 0.000 0.652 341 A CB -0.445 18.484 19.000 -0.118 0.000 0.808 341 A HN 0.296 nan 8.150 nan 0.000 0.449 342 V N -2.824 117.007 119.914 -0.138 0.000 2.825 342 V HA 0.013 4.133 4.120 -0.000 0.000 0.246 342 V C 2.136 178.262 176.094 0.053 0.000 1.068 342 V CA 1.255 63.488 62.300 -0.111 0.000 1.088 342 V CB -0.711 30.872 31.823 -0.400 0.000 0.733 342 V HN 0.267 nan 8.190 nan 0.000 0.468 343 L N 2.901 124.160 121.223 0.059 0.000 2.042 343 L HA 0.088 4.428 4.340 -0.000 0.000 0.210 343 L C 2.406 179.354 176.870 0.129 0.000 1.076 343 L CA 2.515 57.438 54.840 0.138 0.000 0.749 343 L CB -1.363 40.801 42.059 0.176 0.000 0.893 343 L HN 0.353 nan 8.230 nan 0.000 0.432 344 G N -1.217 107.643 108.800 0.102 0.000 2.418 344 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.217 344 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.217 344 G C 1.520 176.498 174.900 0.131 0.000 1.158 344 G CA 0.886 46.047 45.100 0.102 0.000 0.771 344 G HN 0.469 nan 8.290 nan 0.000 0.545 345 F N 1.657 121.609 119.950 0.003 0.000 2.051 345 F HA -0.019 4.508 4.527 -0.000 0.000 0.296 345 F C 2.524 178.351 175.800 0.045 0.000 1.122 345 F CA 1.256 59.263 58.000 0.011 0.000 1.201 345 F CB -0.505 38.477 39.000 -0.030 0.000 0.978 345 F HN 0.113 nan 8.300 nan 0.000 0.472 346 I N -0.429 120.019 120.570 -0.203 0.000 2.208 346 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 346 I C 2.311 178.345 176.117 -0.138 0.000 1.097 346 I CA 1.236 62.388 61.300 -0.247 0.000 1.363 346 I CB -0.730 37.304 38.000 0.057 0.000 1.051 346 I HN 0.032 nan 8.210 nan 0.000 0.413 347 V N 0.494 120.438 119.914 0.050 0.000 2.358 347 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 347 V C 2.498 178.591 176.094 -0.001 0.000 1.047 347 V CA 2.410 64.809 62.300 0.165 0.000 1.035 347 V CB -0.876 31.084 31.823 0.229 0.000 0.658 347 V HN 0.482 nan 8.190 nan 0.000 0.452 348 T N 0.699 115.218 114.554 -0.059 0.000 2.622 348 T HA -0.223 4.127 4.350 -0.000 0.000 0.266 348 T C 2.089 176.668 174.700 -0.200 0.000 1.047 348 T CA 1.866 63.911 62.100 -0.091 0.000 1.159 348 T CB -0.585 68.262 68.868 -0.036 0.000 0.863 348 T HN 0.567 nan 8.240 nan 0.000 0.422 349 A N 1.733 124.354 122.820 -0.332 0.000 1.940 349 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 349 A C 2.416 179.812 177.584 -0.313 0.000 1.176 349 A CA 1.330 53.182 52.037 -0.308 0.000 0.631 349 A CB -0.369 18.382 19.000 -0.415 0.000 0.814 349 A HN 0.244 nan 8.150 nan 0.000 0.446 350 R N -0.689 119.523 120.500 -0.479 0.000 2.080 350 R HA 0.152 4.492 4.340 -0.000 0.000 0.222 350 R C 2.091 178.015 176.300 -0.627 0.000 1.107 350 R CA 0.801 56.433 56.100 -0.779 0.000 0.980 350 R CB -0.866 28.436 30.300 -1.663 0.000 0.879 350 R HN 0.562 nan 8.270 nan 0.000 0.439 351 L N 0.747 121.740 121.223 -0.382 0.000 2.127 351 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 351 L C 2.329 179.142 176.870 -0.096 0.000 1.089 351 L CA 0.697 55.469 54.840 -0.113 0.000 0.757 351 L CB -0.468 41.646 42.059 0.092 0.000 0.899 351 L HN 0.089 nan 8.230 nan 0.000 0.434 352 L N -0.604 120.524 121.223 -0.158 0.000 2.079 352 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 352 L C 2.319 179.139 176.870 -0.083 0.000 1.081 352 L CA 1.774 56.510 54.840 -0.173 0.000 0.752 352 L CB -0.512 41.348 42.059 -0.332 0.000 0.896 352 L HN 0.329 nan 8.230 nan 0.000 0.433 353 C N -2.505 116.718 119.300 -0.128 0.000 2.558 353 C HA 0.145 4.605 4.460 -0.000 0.000 0.288 353 C C 2.463 177.315 174.990 -0.231 0.000 1.338 353 C CA -0.174 58.778 59.018 -0.110 0.000 1.760 353 C CB -0.426 27.242 27.740 -0.120 0.000 2.159 353 C HN 0.541 nan 8.230 nan 0.000 0.518 354 L N 0.262 121.267 121.223 -0.364 0.000 2.093 354 L HA 0.128 4.468 4.340 -0.000 0.000 0.208 354 L C 0.072 176.544 176.870 -0.662 0.000 1.085 354 L CA 2.058 56.562 54.840 -0.560 0.000 0.755 354 L CB -0.382 41.255 42.059 -0.703 0.000 0.904 354 L HN 0.239 nan 8.230 nan 0.000 0.435 355 F N 0.834 120.747 119.950 -0.061 0.000 2.371 355 F HA 0.428 4.955 4.527 0.000 0.000 0.343 355 F C -1.525 174.217 175.800 -0.095 0.000 1.150 355 F CA -2.588 55.377 58.000 -0.059 0.000 1.220 355 F CB 0.020 38.998 39.000 -0.036 0.000 1.475 355 F HN -0.040 nan 8.300 nan 0.000 0.521 356 P HA -0.182 nan 4.420 nan 0.000 0.219 356 P C 0.943 178.144 177.300 -0.167 0.000 1.146 356 P CA 1.441 64.362 63.100 -0.300 0.000 0.808 356 P CB 0.499 31.674 31.700 -0.876 0.000 0.779 357 D N -0.635 119.791 120.400 0.044 0.000 2.327 357 D HA 0.146 4.786 4.640 -0.000 0.000 0.205 357 D C 0.650 177.038 176.300 0.147 0.000 0.989 357 D CA -0.070 54.065 54.000 0.225 0.000 0.873 357 D CB -0.253 40.708 40.800 0.268 0.000 0.955 357 D HN -0.023 nan 8.370 nan 0.000 0.515 358 A N 0.310 123.196 122.820 0.110 0.000 2.561 358 A HA 0.342 4.662 4.320 -0.000 0.000 0.234 358 A C 0.688 178.301 177.584 0.047 0.000 1.055 358 A CA 0.149 52.218 52.037 0.053 0.000 0.756 358 A CB 0.045 19.067 19.000 0.035 0.000 0.986 358 A HN 0.342 nan 8.150 nan 0.000 0.505 359 S N 1.376 117.088 115.700 0.020 0.000 2.617 359 S HA 0.322 4.791 4.470 -0.000 0.000 0.269 359 S C 1.118 175.721 174.600 0.005 0.000 1.292 359 S CA -0.300 57.911 58.200 0.018 0.000 1.010 359 S CB 1.182 64.386 63.200 0.007 0.000 0.944 359 S HN 0.714 nan 8.310 nan 0.000 0.536 360 V N 2.247 122.165 119.914 0.007 0.000 2.469 360 V HA -0.130 3.990 4.120 -0.000 0.000 0.251 360 V C 2.680 178.774 176.094 -0.000 0.000 1.064 360 V CA 2.300 64.601 62.300 0.001 0.000 1.066 360 V CB -1.885 29.945 31.823 0.012 0.000 0.667 360 V HN 1.078 nan 8.190 nan 0.000 0.461 361 G N 0.468 109.266 108.800 -0.002 0.000 2.545 361 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.217 361 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.217 361 G C 1.803 176.692 174.900 -0.018 0.000 1.218 361 G CA 1.985 47.081 45.100 -0.008 0.000 0.787 361 G HN 0.575 nan 8.290 nan 0.000 0.571 362 T N -0.720 113.817 114.554 -0.029 0.000 3.023 362 T HA 0.165 4.515 4.350 -0.000 0.000 0.266 362 T C 2.469 177.140 174.700 -0.048 0.000 1.093 362 T CA 0.847 62.916 62.100 -0.052 0.000 1.129 362 T CB -0.156 68.662 68.868 -0.084 0.000 0.899 362 T HN 0.165 nan 8.240 nan 0.000 0.491 363 L N 0.783 121.993 121.223 -0.022 0.000 2.017 363 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 363 L C 2.971 179.843 176.870 0.003 0.000 1.073 363 L CA 1.128 55.969 54.840 0.001 0.000 0.745 363 L CB -0.703 41.354 42.059 -0.003 0.000 0.894 363 L HN 0.152 nan 8.230 nan 0.000 0.432 364 V N -0.170 119.743 119.914 -0.001 0.000 2.287 364 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 364 V C 2.413 178.506 176.094 -0.001 0.000 1.053 364 V CA 2.038 64.341 62.300 0.005 0.000 1.027 364 V CB -0.518 31.309 31.823 0.007 0.000 0.646 364 V HN 0.452 nan 8.190 nan 0.000 0.447 365 E N -0.122 120.068 120.200 -0.015 0.000 2.070 365 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 365 E C 2.181 178.763 176.600 -0.030 0.000 1.004 365 E CA 1.641 58.025 56.400 -0.026 0.000 0.805 365 E CB -0.264 29.411 29.700 -0.042 0.000 0.744 365 E HN 0.517 nan 8.360 nan 0.000 0.451 366 L N 0.752 121.954 121.223 -0.035 0.000 2.093 366 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 366 L C 2.591 179.468 176.870 0.011 0.000 1.085 366 L CA 1.161 55.983 54.840 -0.030 0.000 0.755 366 L CB -0.408 41.633 42.059 -0.029 0.000 0.904 366 L HN 0.086 nan 8.230 nan 0.000 0.435 367 K N 0.436 120.854 120.400 0.031 0.000 2.009 367 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 367 K C 2.158 178.775 176.600 0.029 0.000 1.049 367 K CA 1.516 57.833 56.287 0.049 0.000 0.929 367 K CB -0.047 32.482 32.500 0.047 0.000 0.714 367 K HN 0.130 nan 8.250 nan 0.000 0.440 368 M N 0.744 120.353 119.600 0.014 0.000 2.446 368 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 368 M C 1.603 177.898 176.300 -0.008 0.000 1.066 368 M CA 1.279 56.582 55.300 0.005 0.000 1.087 368 M CB -0.528 32.073 32.600 0.002 0.000 1.406 368 M HN 0.235 nan 8.290 nan 0.000 0.459 369 E N 0.581 120.772 120.200 -0.015 0.000 2.299 369 E HA 0.039 4.389 4.350 -0.000 0.000 0.193 369 E C 1.775 178.355 176.600 -0.033 0.000 0.998 369 E CA 0.630 57.011 56.400 -0.031 0.000 0.851 369 E CB 0.133 29.806 29.700 -0.045 0.000 0.795 369 E HN 0.492 nan 8.360 nan 0.000 0.492 370 L N -1.144 120.069 121.223 -0.017 0.000 2.515 370 L HA 0.138 4.478 4.340 -0.000 0.000 0.223 370 L C 1.382 178.229 176.870 -0.037 0.000 1.079 370 L CA 0.097 54.923 54.840 -0.023 0.000 0.857 370 L CB 0.588 42.655 42.059 0.014 0.000 1.050 370 L HN 0.004 nan 8.230 nan 0.000 0.476 371 V N -1.335 118.572 119.914 -0.011 0.000 3.523 371 V HA 0.096 4.216 4.120 -0.000 0.000 0.255 371 V C 1.276 177.364 176.094 -0.010 0.000 1.226 371 V CA -0.230 62.067 62.300 -0.006 0.000 1.092 371 V CB -0.088 31.755 31.823 0.034 0.000 0.817 371 V HN 0.289 nan 8.190 nan 0.000 0.458 372 R N 2.066 122.560 120.500 -0.010 0.000 2.457 372 R HA -0.196 4.144 4.340 -0.000 0.000 0.274 372 R C 1.742 178.039 176.300 -0.005 0.000 0.935 372 R CA 0.684 56.779 56.100 -0.007 0.000 1.115 372 R CB -0.066 30.224 30.300 -0.016 0.000 0.860 372 R HN 0.433 nan 8.270 nan 0.000 0.426 373 N N 2.910 121.618 118.700 0.014 0.000 2.027 373 N HA -0.273 4.467 4.740 -0.000 0.000 0.200 373 N C 0.697 176.227 175.510 0.033 0.000 1.042 373 N CA 2.521 55.591 53.050 0.033 0.000 0.871 373 N CB -0.022 38.488 38.487 0.038 0.000 1.063 373 N HN 0.568 nan 8.380 nan 0.000 0.438 374 E N 0.572 120.785 120.200 0.022 0.000 2.136 374 E HA -0.217 4.132 4.350 -0.000 0.000 0.208 374 E C 1.872 178.489 176.600 0.028 0.000 1.035 374 E CA 1.950 58.363 56.400 0.022 0.000 0.838 374 E CB -0.662 29.035 29.700 -0.004 0.000 0.748 374 E HN 0.566 nan 8.360 nan 0.000 0.459 375 A N 0.229 123.047 122.820 -0.004 0.000 1.843 375 A HA -0.044 4.276 4.320 -0.000 0.000 0.213 375 A C 2.271 179.844 177.584 -0.019 0.000 1.202 375 A CA 1.097 53.125 52.037 -0.015 0.000 0.607 375 A CB -0.699 18.263 19.000 -0.063 0.000 0.847 375 A HN 0.197 nan 8.150 nan 0.000 0.445 376 L N 0.221 121.387 121.223 -0.094 0.000 2.081 376 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 376 L C 2.583 179.439 176.870 -0.024 0.000 1.080 376 L CA 1.513 56.237 54.840 -0.193 0.000 0.754 376 L CB -0.768 41.197 42.059 -0.156 0.000 0.893 376 L HN 0.546 nan 8.230 nan 0.000 0.433 377 N N 0.070 118.817 118.700 0.079 0.000 2.069 377 N HA -0.280 4.460 4.740 -0.000 0.000 0.191 377 N C 1.982 177.599 175.510 0.179 0.000 1.031 377 N CA 1.785 54.940 53.050 0.175 0.000 0.852 377 N CB -0.185 38.413 38.487 0.185 0.000 1.018 377 N HN 0.351 nan 8.380 nan 0.000 0.423 378 Y N 1.715 122.034 120.300 0.032 0.000 2.181 378 Y HA -0.096 4.454 4.550 -0.000 0.000 0.288 378 Y C 2.348 178.251 175.900 0.005 0.000 1.146 378 Y CA 1.350 59.459 58.100 0.015 0.000 1.164 378 Y CB -0.559 37.876 38.460 -0.041 0.000 0.982 378 Y HN 0.038 nan 8.280 nan 0.000 0.515 379 L N -0.919 120.187 121.223 -0.195 0.000 2.079 379 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 379 L C 2.292 179.104 176.870 -0.097 0.000 1.081 379 L CA 1.202 55.898 54.840 -0.240 0.000 0.752 379 L CB -0.690 41.230 42.059 -0.232 0.000 0.896 379 L HN 0.162 nan 8.230 nan 0.000 0.433 380 V N -0.891 119.022 119.914 -0.003 0.000 2.548 380 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 380 V C 2.499 178.544 176.094 -0.081 0.000 1.055 380 V CA 1.229 63.545 62.300 0.026 0.000 1.065 380 V CB -0.482 31.370 31.823 0.048 0.000 0.681 380 V HN 0.465 nan 8.190 nan 0.000 0.462 381 Q N 0.712 120.463 119.800 -0.083 0.000 2.050 381 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 381 Q C 2.516 178.448 176.000 -0.113 0.000 0.980 381 Q CA 2.347 58.110 55.803 -0.067 0.000 0.840 381 Q CB -0.811 27.932 28.738 0.010 0.000 0.898 381 Q HN 0.816 nan 8.270 nan 0.000 0.424 382 T N -1.384 113.035 114.554 -0.225 0.000 3.035 382 T HA 0.017 4.367 4.350 -0.000 0.000 0.268 382 T C 1.873 176.511 174.700 -0.104 0.000 1.109 382 T CA 0.437 62.423 62.100 -0.189 0.000 1.119 382 T CB -0.182 68.514 68.868 -0.288 0.000 0.900 382 T HN 0.127 nan 8.240 nan 0.000 0.503 383 L N 0.456 121.632 121.223 -0.078 0.000 2.418 383 L HA 0.296 4.636 4.340 -0.000 0.000 0.218 383 L C 2.157 179.002 176.870 -0.041 0.000 1.125 383 L CA 0.581 55.400 54.840 -0.036 0.000 0.835 383 L CB -0.771 41.297 42.059 0.016 0.000 0.953 383 L HN 0.590 nan 8.230 nan 0.000 0.454 384 G N 0.181 108.948 108.800 -0.054 0.000 2.160 384 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.251 384 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.251 384 G C 0.832 175.695 174.900 -0.062 0.000 1.008 384 G CA 0.426 45.500 45.100 -0.044 0.000 0.724 384 G HN 0.315 nan 8.290 nan 0.000 0.514 385 L N -0.464 120.699 121.223 -0.100 0.000 2.056 385 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 385 L C 0.509 177.244 176.870 -0.225 0.000 1.078 385 L CA 1.592 56.359 54.840 -0.121 0.000 0.749 385 L CB -1.388 40.615 42.059 -0.094 0.000 0.901 385 L HN 0.163 nan 8.230 nan 0.000 0.433 386 P HA -0.223 nan 4.420 nan 0.000 0.216 386 P C 1.404 178.684 177.300 -0.034 0.000 1.154 386 P CA 1.346 64.154 63.100 -0.487 0.000 0.865 386 P CB 0.014 31.523 31.700 -0.318 0.000 0.789 387 Q N -0.868 118.950 119.800 0.031 0.000 2.096 387 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 387 Q C 2.120 178.240 176.000 0.200 0.000 0.982 387 Q CA 1.429 57.310 55.803 0.129 0.000 0.850 387 Q CB -1.095 27.711 28.738 0.113 0.000 0.901 387 Q HN 0.303 nan 8.270 nan 0.000 0.422 388 L N -0.693 120.588 121.223 0.098 0.000 2.270 388 L HA 0.202 4.542 4.340 -0.000 0.000 0.210 388 L C 0.797 177.761 176.870 0.156 0.000 1.104 388 L CA -0.083 54.788 54.840 0.053 0.000 0.804 388 L CB -0.422 41.495 42.059 -0.238 0.000 0.937 388 L HN 0.006 nan 8.230 nan 0.000 0.450 389 A N 0.866 123.757 122.820 0.118 0.000 2.488 389 A HA 0.250 4.569 4.320 -0.000 0.000 0.249 389 A C -0.147 177.634 177.584 0.329 0.000 1.083 389 A CA 0.250 52.402 52.037 0.192 0.000 0.768 389 A CB 0.188 19.235 19.000 0.078 0.000 1.017 389 A HN 0.166 nan 8.150 nan 0.000 0.496 390 E N 1.230 121.627 120.200 0.328 0.000 2.248 390 E HA 0.722 5.072 4.350 -0.000 0.000 0.267 390 E C -1.242 175.515 176.600 0.261 0.000 0.877 390 E CA -0.473 56.062 56.400 0.226 0.000 0.759 390 E CB 1.127 30.921 29.700 0.156 0.000 1.182 390 E HN 0.585 nan 8.360 nan 0.000 0.418 391 F N 0.436 120.438 119.950 0.087 0.000 2.678 391 F HA 0.589 5.116 4.527 0.000 0.000 0.308 391 F C -0.750 175.077 175.800 0.046 0.000 1.118 391 F CA -1.211 56.822 58.000 0.055 0.000 0.959 391 F CB 1.026 40.065 39.000 0.066 0.000 1.305 391 F HN 0.217 nan 8.300 nan 0.000 0.443 392 S N 1.391 117.157 115.700 0.110 0.000 2.452 392 S HA 0.223 4.693 4.470 -0.000 0.000 0.284 392 S C 0.066 174.807 174.600 0.234 0.000 1.171 392 S CA -0.693 57.536 58.200 0.048 0.000 1.064 392 S CB 0.690 63.910 63.200 0.033 0.000 0.967 392 S HN 0.826 nan 8.310 nan 0.000 0.484 393 N N 3.211 122.047 118.700 0.227 0.000 2.715 393 N HA -0.049 4.691 4.740 -0.000 0.000 0.254 393 N C -0.828 174.766 175.510 0.139 0.000 1.306 393 N CA -0.337 52.895 53.050 0.304 0.000 0.956 393 N CB -0.791 37.897 38.487 0.335 0.000 1.296 393 N HN 0.611 nan 8.380 nan 0.000 0.512 394 N N 0.903 119.671 118.700 0.113 0.000 2.598 394 N HA 0.166 4.906 4.740 -0.000 0.000 0.309 394 N C 0.111 175.661 175.510 0.066 0.000 1.645 394 N CA -0.372 52.718 53.050 0.067 0.000 0.936 394 N CB 0.866 39.380 38.487 0.045 0.000 1.323 394 N HN 0.467 nan 8.380 nan 0.000 0.497 399 S N 1.271 116.957 115.700 -0.024 0.000 2.558 399 S HA 0.144 4.614 4.470 -0.000 0.000 0.217 399 S C 0.831 175.432 174.600 0.002 0.000 0.975 399 S CA 0.077 58.272 58.200 -0.009 0.000 0.912 399 S CB 0.265 63.469 63.200 0.007 0.000 0.776 399 S HN 0.150 nan 8.310 nan 0.000 0.526 400 K N 1.579 121.973 120.400 -0.010 0.000 2.295 400 K HA 0.303 4.623 4.320 -0.000 0.000 0.270 400 K C -0.775 175.833 176.600 0.014 0.000 1.011 400 K CA 0.205 56.506 56.287 0.023 0.000 0.953 400 K CB 0.474 32.963 32.500 -0.019 0.000 0.956 400 K HN 0.115 nan 8.250 nan 0.000 0.477 401 T N 2.334 116.952 114.554 0.107 0.000 2.916 401 T HA 0.159 4.509 4.350 -0.000 0.000 0.292 401 T C 0.611 175.519 174.700 0.347 0.000 1.055 401 T CA -0.721 61.457 62.100 0.130 0.000 1.009 401 T CB 0.797 69.734 68.868 0.116 0.000 1.118 401 T HN 0.775 nan 8.240 nan 0.000 0.497 402 W N 0.979 122.302 121.300 0.039 0.000 2.305 402 W HA -0.217 4.443 4.660 0.001 0.000 0.308 402 W C 2.480 179.071 176.519 0.120 0.000 1.226 402 W CA 0.780 58.169 57.345 0.074 0.000 1.253 402 W CB -0.077 29.423 29.460 0.067 0.000 1.146 402 W HN 0.843 nan 8.180 nan 0.000 0.507 403 A N 0.177 123.212 122.820 0.359 0.000 2.024 403 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 403 A C 1.416 179.150 177.584 0.249 0.000 1.164 403 A CA 2.099 54.282 52.037 0.243 0.000 0.643 403 A CB -0.742 18.356 19.000 0.163 0.000 0.806 403 A HN 0.191 nan 8.150 nan 0.000 0.451 404 D N -0.532 120.029 120.400 0.270 0.000 2.219 404 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 404 D C 1.908 178.365 176.300 0.261 0.000 0.970 404 D CA 0.918 55.068 54.000 0.251 0.000 0.851 404 D CB -0.340 40.654 40.800 0.324 0.000 0.943 404 D HN 0.477 nan 8.370 nan 0.000 0.488 405 M N -0.574 119.232 119.600 0.344 0.000 2.108 405 M HA -0.219 4.261 4.480 -0.000 0.000 0.261 405 M C 2.092 178.503 176.300 0.185 0.000 1.066 405 M CA 1.252 56.740 55.300 0.314 0.000 1.107 405 M CB -0.336 32.400 32.600 0.226 0.000 1.356 405 M HN 0.077 nan 8.290 nan 0.000 0.406 406 Y N 1.351 121.712 120.300 0.102 0.000 2.097 406 Y HA -0.284 4.266 4.550 0.000 0.000 0.282 406 Y C 2.168 178.103 175.900 0.058 0.000 1.152 406 Y CA 2.110 60.274 58.100 0.107 0.000 1.136 406 Y CB -0.160 38.377 38.460 0.127 0.000 0.975 406 Y HN 0.263 nan 8.280 nan 0.000 0.498 407 E N -0.342 119.997 120.200 0.232 0.000 2.058 407 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 407 E C 2.185 178.731 176.600 -0.089 0.000 0.997 407 E CA 1.242 57.695 56.400 0.089 0.000 0.801 407 E CB -0.303 29.433 29.700 0.062 0.000 0.746 407 E HN 0.474 nan 8.360 nan 0.000 0.450 408 E N 1.348 121.441 120.200 -0.179 0.000 2.118 408 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 408 E C 2.061 178.542 176.600 -0.198 0.000 0.992 408 E CA 0.902 57.119 56.400 -0.304 0.000 0.804 408 E CB -0.097 29.215 29.700 -0.647 0.000 0.741 408 E HN 0.304 nan 8.360 nan 0.000 0.458 409 I N 0.535 120.975 120.570 -0.216 0.000 2.127 409 I HA -0.294 3.876 4.170 -0.000 0.000 0.241 409 I C 2.574 178.453 176.117 -0.398 0.000 1.075 409 I CA 1.024 62.099 61.300 -0.374 0.000 1.334 409 I CB -0.377 37.220 38.000 -0.672 0.000 1.040 409 I HN -0.009 nan 8.210 nan 0.000 0.405 410 V N 1.198 120.899 119.914 -0.356 0.000 2.332 410 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 410 V C 2.606 178.646 176.094 -0.090 0.000 1.055 410 V CA 2.178 64.361 62.300 -0.196 0.000 1.038 410 V CB -1.696 30.093 31.823 -0.056 0.000 0.651 410 V HN 0.603 nan 8.190 nan 0.000 0.450 411 G N -0.732 108.001 108.800 -0.112 0.000 2.459 411 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.217 411 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.217 411 G C 1.916 176.812 174.900 -0.007 0.000 1.183 411 G CA 1.408 46.460 45.100 -0.080 0.000 0.776 411 G HN 0.509 nan 8.290 nan 0.000 0.552 412 S N 0.359 116.036 115.700 -0.040 0.000 2.359 412 S HA -0.126 4.344 4.470 -0.000 0.000 0.223 412 S C 2.455 177.058 174.600 0.005 0.000 1.039 412 S CA 1.446 59.651 58.200 0.008 0.000 1.042 412 S CB -0.366 62.846 63.200 0.019 0.000 0.915 412 S HN 0.359 nan 8.310 nan 0.000 0.439 413 I N 0.244 120.775 120.570 -0.065 0.000 2.194 413 I HA -0.173 3.997 4.170 -0.000 0.000 0.246 413 I C 2.196 178.344 176.117 0.052 0.000 1.093 413 I CA 1.747 63.019 61.300 -0.045 0.000 1.355 413 I CB -0.474 37.450 38.000 -0.126 0.000 1.046 413 I HN 0.368 nan 8.210 nan 0.000 0.413 414 F N 2.010 121.926 119.950 -0.057 0.000 2.075 414 F HA -0.259 4.268 4.527 0.000 0.000 0.297 414 F C 2.756 178.539 175.800 -0.027 0.000 1.113 414 F CA 2.159 60.139 58.000 -0.033 0.000 1.218 414 F CB -0.502 38.465 39.000 -0.055 0.000 0.984 414 F HN 0.089 nan 8.300 nan 0.000 0.472 415 T N -1.675 112.931 114.554 0.088 0.000 3.118 415 T HA 0.234 4.584 4.350 -0.000 0.000 0.260 415 T C 1.233 175.932 174.700 -0.000 0.000 1.139 415 T CA 0.347 62.458 62.100 0.017 0.000 1.085 415 T CB -1.041 67.888 68.868 0.102 0.000 0.934 415 T HN 0.307 nan 8.240 nan 0.000 0.518 416 G N 2.126 110.927 108.800 0.001 0.000 2.547 416 G HA2 0.457 4.417 3.960 -0.000 0.000 0.291 416 G HA3 0.457 4.417 3.960 -0.000 0.000 0.291 416 G C -1.249 173.639 174.900 -0.020 0.000 1.211 416 G CA -1.493 43.615 45.100 0.013 0.000 0.950 416 G HN 0.023 nan 8.290 nan 0.000 0.504 417 P HA -0.126 nan 4.420 nan 0.000 0.219 417 P C 1.173 178.474 177.300 0.002 0.000 1.146 417 P CA 0.807 63.906 63.100 -0.001 0.000 0.808 417 P CB 0.236 31.943 31.700 0.012 0.000 0.779 418 N N -0.255 118.452 118.700 0.012 0.000 2.309 418 N HA -0.042 4.698 4.740 -0.000 0.000 0.182 418 N C 1.478 177.029 175.510 0.070 0.000 1.018 418 N CA 1.490 54.567 53.050 0.045 0.000 0.876 418 N CB -0.505 38.014 38.487 0.052 0.000 0.972 418 N HN 0.236 nan 8.380 nan 0.000 0.434 419 G N 1.166 109.955 108.800 -0.018 0.000 2.553 419 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.242 419 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.242 419 G C 0.728 175.598 174.900 -0.050 0.000 1.277 419 G CA 0.031 45.062 45.100 -0.114 0.000 0.910 419 G HN 0.297 nan 8.290 nan 0.000 0.576 420 I N -0.296 120.243 120.570 -0.051 0.000 2.546 420 I HA 0.065 4.235 4.170 -0.000 0.000 0.255 420 I C 2.428 178.621 176.117 0.127 0.000 1.163 420 I CA 1.387 62.773 61.300 0.142 0.000 1.457 420 I CB -0.125 37.975 38.000 0.167 0.000 1.092 420 I HN 0.587 nan 8.210 nan 0.000 0.434 421 Y N 0.689 121.067 120.300 0.131 0.000 2.207 421 Y HA -0.215 4.335 4.550 0.000 0.000 0.287 421 Y C 2.542 178.545 175.900 0.172 0.000 1.156 421 Y CA 1.352 59.542 58.100 0.150 0.000 1.182 421 Y CB -0.644 37.882 38.460 0.111 0.000 0.979 421 Y HN 0.256 nan 8.280 nan 0.000 0.521 422 G N -1.243 107.729 108.800 0.287 0.000 2.408 422 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 422 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 422 G C 1.619 176.667 174.900 0.246 0.000 1.150 422 G CA 1.187 46.416 45.100 0.215 0.000 0.776 422 G HN 0.437 nan 8.290 nan 0.000 0.542 423 C N 0.404 119.858 119.300 0.255 0.000 2.453 423 C HA 0.042 4.502 4.460 -0.000 0.000 0.277 423 C C 2.745 177.929 174.990 0.323 0.000 1.262 423 C CA 0.894 60.080 59.018 0.281 0.000 1.718 423 C CB -0.809 27.103 27.740 0.287 0.000 2.031 423 C HN 0.580 nan 8.230 nan 0.000 0.480 424 E N 0.813 121.200 120.200 0.311 0.000 2.065 424 E HA -0.306 4.044 4.350 -0.000 0.000 0.201 424 E C 2.134 178.954 176.600 0.367 0.000 1.016 424 E CA 1.641 58.239 56.400 0.331 0.000 0.818 424 E CB -0.383 29.505 29.700 0.314 0.000 0.749 424 E HN 0.710 nan 8.360 nan 0.000 0.453 425 E N 0.305 120.757 120.200 0.419 0.000 2.058 425 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 425 E C 1.964 178.809 176.600 0.408 0.000 0.997 425 E CA 1.067 57.772 56.400 0.508 0.000 0.801 425 E CB -0.176 29.756 29.700 0.387 0.000 0.746 425 E HN 0.228 nan 8.360 nan 0.000 0.450 426 F N 1.236 121.291 119.950 0.174 0.000 2.186 426 F HA -0.082 4.445 4.527 -0.000 0.000 0.299 426 F C 1.921 177.781 175.800 0.100 0.000 1.090 426 F CA 1.132 59.178 58.000 0.078 0.000 1.307 426 F CB -0.053 38.931 39.000 -0.027 0.000 1.019 426 F HN 0.000 nan 8.300 nan 0.000 0.489 427 L N -0.322 120.977 121.223 0.127 0.000 2.109 427 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 427 L C 2.705 179.497 176.870 -0.130 0.000 1.086 427 L CA 1.017 55.879 54.840 0.035 0.000 0.760 427 L CB -1.186 41.006 42.059 0.222 0.000 0.910 427 L HN 0.210 nan 8.230 nan 0.000 0.437 428 A N 0.051 122.843 122.820 -0.047 0.000 2.014 428 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 428 A C 2.278 179.797 177.584 -0.109 0.000 1.163 428 A CA 1.102 53.007 52.037 -0.219 0.000 0.652 428 A CB -0.194 18.612 19.000 -0.323 0.000 0.808 428 A HN 0.293 nan 8.150 nan 0.000 0.449 429 K N -0.613 119.801 120.400 0.023 0.000 2.217 429 K HA -0.072 4.248 4.320 -0.000 0.000 0.202 429 K C 1.939 178.431 176.600 -0.180 0.000 1.051 429 K CA 1.694 57.968 56.287 -0.021 0.000 0.952 429 K CB -0.056 32.412 32.500 -0.052 0.000 0.736 429 K HN 0.723 nan 8.250 nan 0.000 0.453 430 T N -1.874 112.522 114.554 -0.263 0.000 3.026 430 T HA 0.144 4.494 4.350 -0.000 0.000 0.245 430 T C 1.924 176.557 174.700 -0.111 0.000 1.004 430 T CA -0.201 61.761 62.100 -0.229 0.000 1.069 430 T CB -0.231 68.424 68.868 -0.356 0.000 1.005 430 T HN -0.039 nan 8.240 nan 0.000 0.472 431 L N -0.049 121.056 121.223 -0.196 0.000 2.093 431 L HA 0.263 4.603 4.340 -0.000 0.000 0.208 431 L C 0.681 177.444 176.870 -0.178 0.000 1.085 431 L CA 0.900 55.630 54.840 -0.182 0.000 0.755 431 L CB -0.435 41.428 42.059 -0.326 0.000 0.904 431 L HN 0.268 nan 8.230 nan 0.000 0.435 432 M N -1.153 118.198 119.600 -0.416 0.000 2.364 432 M HA 0.416 4.896 4.480 -0.000 0.000 0.334 432 M C -0.372 175.658 176.300 -0.449 0.000 1.107 432 M CA 0.094 55.048 55.300 -0.578 0.000 0.988 432 M CB 2.192 34.237 32.600 -0.925 0.000 1.673 432 M HN -0.113 nan 8.290 nan 0.000 0.441 433 S N 2.073 117.436 115.700 -0.562 0.000 2.578 433 S HA 0.450 4.920 4.470 -0.000 0.000 0.285 433 S C -2.533 171.742 174.600 -0.542 0.000 1.126 433 S CA -0.980 56.869 58.200 -0.584 0.000 0.878 433 S CB 1.395 64.184 63.200 -0.684 0.000 1.091 433 S HN 0.508 nan 8.310 nan 0.000 0.450 434 P HA -0.078 nan 4.420 nan 0.000 0.221 434 P C 0.956 178.155 177.300 -0.167 0.000 1.145 434 P CA 1.048 64.024 63.100 -0.206 0.000 0.795 434 P CB 0.097 31.705 31.700 -0.154 0.000 0.775 435 E N -0.038 120.019 120.200 -0.239 0.000 2.510 435 E HA -0.175 4.175 4.350 -0.000 0.000 0.202 435 E C 0.965 177.618 176.600 0.089 0.000 1.072 435 E CA 0.824 57.166 56.400 -0.097 0.000 0.883 435 E CB -1.145 28.498 29.700 -0.095 0.000 0.818 435 E HN 0.491 nan 8.360 nan 0.000 0.548 436 H N -1.507 117.584 119.070 0.036 0.000 2.520 436 H HA 0.265 4.821 4.556 0.000 0.000 0.284 436 H C 0.175 175.507 175.328 0.006 0.000 1.037 436 H CA 0.008 56.084 56.048 0.046 0.000 1.168 436 H CB 0.484 30.262 29.762 0.027 0.000 1.497 436 H HN 0.079 nan 8.280 nan 0.000 0.547 437 S N 0.276 116.038 115.700 0.103 0.000 2.806 437 S HA 0.643 5.113 4.470 -0.000 0.000 0.306 437 S C -1.062 173.564 174.600 0.043 0.000 1.167 437 S CA -1.177 57.059 58.200 0.059 0.000 0.847 437 S CB 2.639 65.867 63.200 0.047 0.000 1.216 437 S HN 0.181 nan 8.310 nan 0.000 0.532 438 K N -0.414 120.003 120.400 0.029 0.000 2.385 438 K HA 0.882 5.202 4.320 -0.000 0.000 0.248 438 K C -0.516 176.099 176.600 0.024 0.000 0.955 438 K CA -0.537 55.765 56.287 0.026 0.000 0.816 438 K CB 1.507 34.018 32.500 0.019 0.000 1.250 438 K HN 0.694 nan 8.250 nan 0.000 0.434 444 C N 0.366 119.693 119.300 0.045 0.000 2.493 444 C HA 0.968 5.428 4.460 -0.000 0.000 0.326 444 C C -2.137 172.823 174.990 -0.049 0.000 1.200 444 C CA -1.746 57.290 59.018 0.029 0.000 1.739 444 C CB 0.842 28.575 27.740 -0.012 0.000 2.300 444 C HN 0.876 nan 8.230 nan 0.000 0.500 445 P HA 0.071 nan 4.420 nan 0.000 0.270 445 P C 0.468 177.704 177.300 -0.107 0.000 1.216 445 P CA 0.386 63.435 63.100 -0.084 0.000 0.788 445 P CB 0.627 32.271 31.700 -0.095 0.000 0.883 446 D N 0.791 121.149 120.400 -0.069 0.000 2.077 446 D HA -0.110 4.530 4.640 -0.000 0.000 0.196 446 D C 1.889 178.143 176.300 -0.076 0.000 0.986 446 D CA 1.851 55.814 54.000 -0.061 0.000 0.829 446 D CB -0.543 40.235 40.800 -0.037 0.000 0.983 446 D HN 0.418 nan 8.370 nan 0.000 0.453 447 A N 0.216 122.993 122.820 -0.071 0.000 2.186 447 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 447 A C 2.342 179.863 177.584 -0.105 0.000 1.159 447 A CA 0.950 52.947 52.037 -0.067 0.000 0.680 447 A CB -0.305 18.670 19.000 -0.043 0.000 0.787 447 A HN 0.204 nan 8.150 nan 0.000 0.467 448 V N -1.278 118.534 119.914 -0.169 0.000 2.725 448 V HA -0.101 4.019 4.120 -0.000 0.000 0.247 448 V C 2.554 178.533 176.094 -0.192 0.000 1.058 448 V CA 2.076 64.226 62.300 -0.249 0.000 1.080 448 V CB -0.551 30.964 31.823 -0.514 0.000 0.713 448 V HN 0.571 nan 8.190 nan 0.000 0.465 449 T N -0.349 114.116 114.554 -0.148 0.000 2.904 449 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 449 T C 1.909 176.554 174.700 -0.092 0.000 1.059 449 T CA 1.045 63.081 62.100 -0.105 0.000 1.137 449 T CB -0.103 68.719 68.868 -0.077 0.000 0.879 449 T HN 0.406 nan 8.240 nan 0.000 0.467 450 K N 1.161 121.509 120.400 -0.086 0.000 2.057 450 K HA 0.060 4.380 4.320 -0.000 0.000 0.206 450 K C 2.720 179.262 176.600 -0.096 0.000 1.050 450 K CA 1.153 57.396 56.287 -0.073 0.000 0.935 450 K CB -0.280 32.188 32.500 -0.052 0.000 0.715 450 K HN 0.287 nan 8.250 nan 0.000 0.439 451 A N 1.339 124.088 122.820 -0.119 0.000 1.858 451 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 451 A C 2.316 179.771 177.584 -0.214 0.000 1.190 451 A CA 1.908 53.843 52.037 -0.170 0.000 0.617 451 A CB -0.724 18.174 19.000 -0.171 0.000 0.827 451 A HN 0.176 nan 8.150 nan 0.000 0.443 452 S N -0.134 115.455 115.700 -0.184 0.000 2.372 452 S HA -0.243 4.227 4.470 -0.000 0.000 0.227 452 S C 1.979 176.493 174.600 -0.143 0.000 1.044 452 S CA 1.984 60.083 58.200 -0.168 0.000 1.050 452 S CB -0.338 62.797 63.200 -0.107 0.000 0.901 452 S HN 0.614 nan 8.310 nan 0.000 0.447 453 K N 0.520 120.856 120.400 -0.107 0.000 2.063 453 K HA -0.057 4.263 4.320 -0.000 0.000 0.208 453 K C 2.403 178.947 176.600 -0.093 0.000 1.048 453 K CA 1.197 57.436 56.287 -0.079 0.000 0.928 453 K CB -0.139 32.325 32.500 -0.061 0.000 0.713 453 K HN 0.228 nan 8.250 nan 0.000 0.442 454 R N 0.132 120.558 120.500 -0.124 0.000 2.115 454 R HA -0.040 4.300 4.340 -0.000 0.000 0.226 454 R C 2.193 178.393 176.300 -0.168 0.000 1.100 454 R CA 0.688 56.712 56.100 -0.126 0.000 0.980 454 R CB -0.091 30.129 30.300 -0.134 0.000 0.875 454 R HN -0.001 nan 8.270 nan 0.000 0.445 455 V N 0.042 119.796 119.914 -0.267 0.000 2.427 455 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 455 V C 2.263 178.213 176.094 -0.240 0.000 1.051 455 V CA 1.505 63.565 62.300 -0.400 0.000 1.048 455 V CB -0.273 31.132 31.823 -0.698 0.000 0.666 455 V HN 0.472 nan 8.190 nan 0.000 0.456 456 C N 0.484 119.714 119.300 -0.116 0.000 2.435 456 C HA -0.077 4.383 4.460 -0.000 0.000 0.279 456 C C 2.287 177.297 174.990 0.033 0.000 1.321 456 C CA 1.046 60.076 59.018 0.021 0.000 1.752 456 C CB -0.969 26.787 27.740 0.027 0.000 1.959 456 C HN 0.699 nan 8.230 nan 0.000 0.500 457 M N -0.001 119.595 119.600 -0.008 0.000 2.637 457 M HA 0.383 4.863 4.480 -0.000 0.000 0.286 457 M C 1.221 177.524 176.300 0.005 0.000 1.246 457 M CA 0.762 56.063 55.300 0.001 0.000 0.978 457 M CB -0.313 32.281 32.600 -0.011 0.000 1.417 457 M HN 0.264 nan 8.290 nan 0.000 0.487 458 G N 1.533 110.342 108.800 0.015 0.000 2.228 458 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.270 458 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.270 458 G C 0.680 175.585 174.900 0.007 0.000 0.976 458 G CA 1.066 46.184 45.100 0.030 0.000 0.636 458 G HN 0.695 nan 8.290 nan 0.000 0.542 459 E N 0.668 120.857 120.200 -0.018 0.000 2.511 459 E HA 0.467 4.817 4.350 -0.000 0.000 0.196 459 E C 1.527 178.101 176.600 -0.045 0.000 1.066 459 E CA 0.470 56.855 56.400 -0.024 0.000 0.871 459 E CB -0.195 29.489 29.700 -0.027 0.000 0.863 459 E HN 0.805 nan 8.360 nan 0.000 0.520 460 A N -0.121 122.663 122.820 -0.060 0.000 2.316 460 A HA 0.624 4.944 4.320 -0.000 0.000 0.284 460 A C 0.463 178.042 177.584 -0.008 0.000 1.115 460 A CA 0.098 52.074 52.037 -0.101 0.000 0.812 460 A CB 1.161 20.027 19.000 -0.223 0.000 1.064 460 A HN 0.290 nan 8.150 nan 0.000 0.489 461 G N -1.177 107.589 108.800 -0.057 0.000 3.243 461 G HA2 0.562 4.522 3.960 -0.000 0.000 0.248 461 G HA3 0.562 4.522 3.960 -0.000 0.000 0.248 461 G C 0.950 175.885 174.900 0.058 0.000 1.267 461 G CA 0.321 45.424 45.100 0.005 0.000 0.906 461 G HN 1.241 nan 8.290 nan 0.000 0.592 462 A N -0.270 122.580 122.820 0.049 0.000 1.849 462 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 462 A C 2.100 179.759 177.584 0.125 0.000 1.202 462 A CA 2.550 54.650 52.037 0.105 0.000 0.629 462 A CB -1.437 17.633 19.000 0.117 0.000 0.834 462 A HN 0.868 nan 8.150 nan 0.000 0.447 463 H N -1.175 117.952 119.070 0.096 0.000 2.428 463 H HA -0.002 4.554 4.556 -0.000 0.000 0.296 463 H C 1.611 176.977 175.328 0.063 0.000 1.062 463 H CA 1.451 57.543 56.048 0.074 0.000 1.350 463 H CB -0.442 29.345 29.762 0.041 0.000 1.403 463 H HN 0.518 nan 8.280 nan 0.000 0.533 464 E N 0.895 120.892 120.200 -0.338 0.000 2.058 464 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 464 E C 2.001 178.507 176.600 -0.157 0.000 0.997 464 E CA 1.594 57.842 56.400 -0.253 0.000 0.801 464 E CB -0.471 29.006 29.700 -0.372 0.000 0.746 464 E HN 0.392 nan 8.360 nan 0.000 0.450 465 F N 0.869 120.772 119.950 -0.077 0.000 2.095 465 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 465 F C 2.390 178.205 175.800 0.025 0.000 1.104 465 F CA 1.359 59.347 58.000 -0.019 0.000 1.232 465 F CB -0.183 38.816 39.000 -0.001 0.000 0.987 465 F HN -0.096 nan 8.300 nan 0.000 0.475 466 R N -0.101 120.535 120.500 0.227 0.000 2.112 466 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 466 R C 2.333 178.712 176.300 0.130 0.000 1.137 466 R CA 1.927 58.125 56.100 0.162 0.000 0.944 466 R CB -1.172 29.218 30.300 0.150 0.000 0.857 466 R HN 0.219 nan 8.270 nan 0.000 0.435 467 S N 1.194 116.958 115.700 0.107 0.000 2.365 467 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 467 S C 2.051 176.706 174.600 0.092 0.000 1.039 467 S CA 1.235 59.485 58.200 0.082 0.000 1.033 467 S CB -0.246 62.981 63.200 0.044 0.000 0.887 467 S HN 0.227 nan 8.310 nan 0.000 0.447 468 L N 0.807 122.066 121.223 0.060 0.000 2.093 468 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 468 L C 2.304 179.283 176.870 0.182 0.000 1.085 468 L CA 0.764 55.659 54.840 0.091 0.000 0.755 468 L CB -0.620 41.432 42.059 -0.011 0.000 0.904 468 L HN 0.206 nan 8.230 nan 0.000 0.435 469 V N -0.237 119.775 119.914 0.164 0.000 2.229 469 V HA -0.279 3.841 4.120 -0.000 0.000 0.243 469 V C 2.070 178.239 176.094 0.125 0.000 1.042 469 V CA 1.999 64.386 62.300 0.145 0.000 1.000 469 V CB -0.575 31.322 31.823 0.122 0.000 0.637 469 V HN 0.383 nan 8.190 nan 0.000 0.446 470 D N -0.918 119.554 120.400 0.121 0.000 2.172 470 D HA -0.244 4.396 4.640 -0.000 0.000 0.196 470 D C 1.835 178.213 176.300 0.130 0.000 0.999 470 D CA 1.798 55.861 54.000 0.105 0.000 0.856 470 D CB -0.377 40.483 40.800 0.101 0.000 0.934 470 D HN 0.618 nan 8.370 nan 0.000 0.453 471 Y N 1.237 121.559 120.300 0.037 0.000 2.109 471 Y HA -0.124 4.426 4.550 0.000 0.000 0.285 471 Y C 2.302 178.225 175.900 0.038 0.000 1.131 471 Y CA 1.825 59.944 58.100 0.032 0.000 1.121 471 Y CB -0.647 37.828 38.460 0.025 0.000 0.987 471 Y HN -0.045 nan 8.280 nan 0.000 0.495 472 A N -0.998 121.813 122.820 -0.015 0.000 1.972 472 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 472 A C 2.383 179.927 177.584 -0.068 0.000 1.169 472 A CA 1.578 53.559 52.037 -0.094 0.000 0.635 472 A CB -1.745 17.302 19.000 0.078 0.000 0.810 472 A HN 0.699 nan 8.150 nan 0.000 0.446 473 C N -0.521 118.771 119.300 -0.013 0.000 2.422 473 C HA -0.011 4.449 4.460 -0.000 0.000 0.286 473 C C 2.129 177.101 174.990 -0.031 0.000 1.412 473 C CA 1.374 60.391 59.018 -0.003 0.000 1.786 473 C CB -0.990 26.761 27.740 0.019 0.000 1.835 473 C HN 0.602 nan 8.230 nan 0.000 0.533 474 E N -1.536 118.615 120.200 -0.080 0.000 2.453 474 E HA 0.049 4.399 4.350 -0.000 0.000 0.211 474 E C 1.719 178.235 176.600 -0.140 0.000 0.897 474 E CA 0.100 56.451 56.400 -0.082 0.000 1.063 474 E CB -0.432 29.239 29.700 -0.048 0.000 1.080 474 E HN 0.587 nan 8.360 nan 0.000 0.512 475 Q N 0.536 120.175 119.800 -0.267 0.000 2.365 475 Q HA 0.096 4.436 4.340 -0.000 0.000 0.203 475 Q C 0.313 176.221 176.000 -0.154 0.000 0.929 475 Q CA 0.395 56.027 55.803 -0.285 0.000 0.948 475 Q CB 0.414 28.807 28.738 -0.575 0.000 1.043 475 Q HN 0.340 nan 8.270 nan 0.000 0.505 476 G N 2.242 110.982 108.800 -0.099 0.000 2.372 476 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.290 476 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.290 476 G C -0.032 174.857 174.900 -0.018 0.000 0.965 476 G CA 0.073 45.149 45.100 -0.039 0.000 1.263 476 G HN 0.345 nan 8.290 nan 0.000 0.498 477 I N 1.265 121.833 120.570 -0.003 0.000 2.371 477 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 477 I C 0.790 176.963 176.117 0.092 0.000 1.028 477 I CA -0.175 61.146 61.300 0.035 0.000 1.345 477 I CB 1.379 39.403 38.000 0.040 0.000 1.407 477 I HN 0.418 nan 8.210 nan 0.000 0.501 478 S N 5.590 121.344 115.700 0.090 0.000 2.566 478 S HA 0.323 4.793 4.470 -0.000 0.000 0.324 478 S C 0.412 175.090 174.600 0.130 0.000 1.081 478 S CA -0.826 57.453 58.200 0.133 0.000 1.105 478 S CB 1.428 64.687 63.200 0.098 0.000 0.981 478 S HN 0.504 nan 8.310 nan 0.000 0.464 479 V N -0.518 119.470 119.914 0.123 0.000 3.590 479 V HA 0.466 4.586 4.120 -0.000 0.000 0.265 479 V C 0.008 176.015 176.094 -0.145 0.000 1.239 479 V CA 0.072 62.336 62.300 -0.060 0.000 1.117 479 V CB -1.163 30.536 31.823 -0.206 0.000 0.818 479 V HN 0.648 nan 8.190 nan 0.000 0.451 480 F N 0.630 120.593 119.950 0.021 0.000 2.403 480 F HA 0.468 4.995 4.527 0.000 0.000 0.326 480 F C 1.535 177.303 175.800 -0.053 0.000 1.081 480 F CA -0.501 57.496 58.000 -0.005 0.000 1.041 480 F CB 0.991 39.940 39.000 -0.085 0.000 1.234 480 F HN 0.135 nan 8.300 nan 0.000 0.503 481 C N -0.380 118.893 119.300 -0.045 0.000 2.379 481 C HA 0.430 4.890 4.460 -0.000 0.000 0.346 481 C C 0.450 175.341 174.990 -0.164 0.000 1.305 481 C CA -0.567 58.238 59.018 -0.355 0.000 1.657 481 C CB -2.193 25.317 27.740 -0.384 0.000 1.739 481 C HN 0.550 nan 8.230 nan 0.000 0.594 482 S N -0.468 115.205 115.700 -0.044 0.000 2.575 482 S HA 0.480 4.950 4.470 -0.000 0.000 0.278 482 S C 0.562 175.152 174.600 -0.018 0.000 1.139 482 S CA -0.174 57.995 58.200 -0.051 0.000 0.954 482 S CB 1.806 64.977 63.200 -0.048 0.000 1.054 482 S HN 0.378 nan 8.310 nan 0.000 0.483 483 S N 3.379 119.055 115.700 -0.041 0.000 2.406 483 S HA 0.006 4.476 4.470 -0.000 0.000 0.228 483 S C 1.831 176.423 174.600 -0.014 0.000 1.020 483 S CA 0.532 58.720 58.200 -0.019 0.000 0.965 483 S CB -0.233 62.945 63.200 -0.035 0.000 0.798 483 S HN 0.735 nan 8.310 nan 0.000 0.488 484 R N 0.973 121.449 120.500 -0.040 0.000 2.062 484 R HA -0.015 4.325 4.340 -0.000 0.000 0.229 484 R C 2.056 178.309 176.300 -0.077 0.000 1.128 484 R CA 1.146 57.210 56.100 -0.060 0.000 0.960 484 R CB -0.390 29.864 30.300 -0.078 0.000 0.855 484 R HN 0.256 nan 8.270 nan 0.000 0.432 485 V N 0.664 120.523 119.914 -0.092 0.000 2.343 485 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 485 V C 2.261 178.320 176.094 -0.058 0.000 1.051 485 V CA 2.067 64.271 62.300 -0.160 0.000 1.036 485 V CB -0.329 31.325 31.823 -0.282 0.000 0.654 485 V HN 0.367 nan 8.190 nan 0.000 0.451 486 S N -0.351 115.400 115.700 0.085 0.000 2.356 486 S HA -0.222 4.248 4.470 -0.000 0.000 0.223 486 S C 2.082 176.832 174.600 0.251 0.000 1.032 486 S CA 2.028 60.402 58.200 0.289 0.000 1.005 486 S CB -0.502 62.840 63.200 0.237 0.000 0.867 486 S HN 0.660 nan 8.310 nan 0.000 0.449 487 T N 2.363 116.985 114.554 0.115 0.000 2.746 487 T HA 0.047 4.397 4.350 -0.000 0.000 0.267 487 T C 1.771 176.506 174.700 0.057 0.000 1.039 487 T CA 1.046 63.187 62.100 0.069 0.000 1.142 487 T CB -0.261 68.614 68.868 0.011 0.000 0.866 487 T HN 0.297 nan 8.240 nan 0.000 0.444 488 M N -0.138 119.470 119.600 0.013 0.000 2.319 488 M HA 0.057 4.537 4.480 -0.000 0.000 0.265 488 M C 2.006 178.429 176.300 0.205 0.000 1.068 488 M CA 1.010 56.274 55.300 -0.060 0.000 1.118 488 M CB -0.410 31.955 32.600 -0.392 0.000 1.395 488 M HN 0.250 nan 8.290 nan 0.000 0.435 489 F N 1.708 121.783 119.950 0.207 0.000 2.102 489 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 489 F C 1.883 177.816 175.800 0.221 0.000 1.105 489 F CA 1.512 59.703 58.000 0.319 0.000 1.239 489 F CB -0.487 38.731 39.000 0.364 0.000 0.991 489 F HN -0.044 nan 8.300 nan 0.000 0.474 490 L N 0.082 121.341 121.223 0.059 0.000 2.043 490 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 490 L C 2.594 179.413 176.870 -0.084 0.000 1.075 490 L CA 1.773 56.572 54.840 -0.068 0.000 0.752 490 L CB -0.774 41.314 42.059 0.048 0.000 0.891 490 L HN 0.185 nan 8.230 nan 0.000 0.432 491 E N 0.238 120.425 120.200 -0.021 0.000 2.208 491 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 491 E C 2.199 178.796 176.600 -0.005 0.000 0.988 491 E CA 0.659 57.053 56.400 -0.010 0.000 0.828 491 E CB 0.141 29.841 29.700 0.001 0.000 0.763 491 E HN 0.212 nan 8.360 nan 0.000 0.478 492 R N 0.572 121.082 120.500 0.018 0.000 2.120 492 R HA -0.024 4.316 4.340 -0.000 0.000 0.234 492 R C 2.410 178.653 176.300 -0.095 0.000 1.123 492 R CA 0.853 56.972 56.100 0.032 0.000 0.975 492 R CB -0.588 29.800 30.300 0.147 0.000 0.866 492 R HN 0.191 nan 8.270 nan 0.000 0.446 493 L N -0.014 121.067 121.223 -0.237 0.000 2.046 493 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 493 L C 2.364 179.194 176.870 -0.067 0.000 1.077 493 L CA 1.574 56.282 54.840 -0.219 0.000 0.747 493 L CB -0.313 41.555 42.059 -0.319 0.000 0.896 493 L HN 0.255 nan 8.230 nan 0.000 0.432 494 R N -0.230 120.247 120.500 -0.039 0.000 2.152 494 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 494 R C 1.187 177.502 176.300 0.024 0.000 1.117 494 R CA 1.179 57.284 56.100 0.007 0.000 0.981 494 R CB -0.282 30.025 30.300 0.012 0.000 0.870 494 R HN 0.370 nan 8.270 nan 0.000 0.451 495 D N 0.185 120.600 120.400 0.025 0.000 2.340 495 D HA 0.095 4.735 4.640 -0.000 0.000 0.220 495 D C 0.234 176.571 176.300 0.062 0.000 1.039 495 D CA 0.558 54.587 54.000 0.049 0.000 0.866 495 D CB 0.265 41.105 40.800 0.066 0.000 0.913 495 D HN 0.160 nan 8.370 nan 0.000 0.523 496 I N 2.749 123.349 120.570 0.051 0.000 2.321 496 I HA 0.158 4.328 4.170 -0.000 0.000 0.291 496 I C -2.064 174.101 176.117 0.080 0.000 0.998 496 I CA -2.258 59.091 61.300 0.081 0.000 1.227 496 I CB 1.514 39.564 38.000 0.083 0.000 1.368 496 I HN -0.331 nan 8.210 nan 0.000 0.466 497 P HA -0.106 nan 4.420 nan 0.000 0.257 497 P C 0.475 177.800 177.300 0.042 0.000 1.162 497 P CA 0.210 63.347 63.100 0.061 0.000 0.762 497 P CB 0.678 32.413 31.700 0.058 0.000 0.753 498 A N 4.857 127.699 122.820 0.036 0.000 2.125 498 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 498 A C 1.850 179.415 177.584 -0.031 0.000 1.156 498 A CA 1.148 53.195 52.037 0.016 0.000 0.671 498 A CB -0.637 18.407 19.000 0.074 0.000 0.794 498 A HN 0.622 nan 8.150 nan 0.000 0.459 499 E N 0.045 120.236 120.200 -0.015 0.000 2.347 499 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 499 E C 0.260 176.806 176.600 -0.090 0.000 1.008 499 E CA 1.129 57.507 56.400 -0.036 0.000 0.852 499 E CB -0.359 29.332 29.700 -0.015 0.000 0.783 499 E HN 0.518 nan 8.360 nan 0.000 0.505 500 D N 0.583 120.930 120.400 -0.088 0.000 2.305 500 D HA 0.090 4.730 4.640 -0.000 0.000 0.206 500 D C 1.982 178.159 176.300 -0.205 0.000 0.974 500 D CA 0.424 54.332 54.000 -0.153 0.000 0.871 500 D CB -0.030 40.753 40.800 -0.028 0.000 0.947 500 D HN 0.192 nan 8.370 nan 0.000 0.516 501 M N 0.103 119.572 119.600 -0.219 0.000 2.213 501 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 501 M C 2.001 177.932 176.300 -0.615 0.000 1.062 501 M CA 0.711 55.770 55.300 -0.401 0.000 1.105 501 M CB -0.119 32.004 32.600 -0.795 0.000 1.385 501 M HN 0.040 nan 8.290 nan 0.000 0.417 502 L N 0.796 121.692 121.223 -0.545 0.000 2.141 502 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 502 L C 1.774 178.646 176.870 0.003 0.000 1.094 502 L CA 1.876 56.619 54.840 -0.161 0.000 0.763 502 L CB -0.583 41.478 42.059 0.004 0.000 0.908 502 L HN 0.219 nan 8.230 nan 0.000 0.437 503 D N -1.337 118.977 120.400 -0.143 0.000 2.123 503 D HA -0.195 4.445 4.640 -0.000 0.000 0.200 503 D C 2.000 178.228 176.300 -0.119 0.000 0.976 503 D CA 1.558 55.441 54.000 -0.195 0.000 0.831 503 D CB -0.347 40.207 40.800 -0.410 0.000 0.974 503 D HN 0.478 nan 8.370 nan 0.000 0.469 504 W N 0.787 122.095 121.300 0.012 0.000 2.335 504 W HA -0.246 4.415 4.660 0.000 0.000 0.311 504 W C 2.427 179.011 176.519 0.108 0.000 1.213 504 W CA 0.457 57.830 57.345 0.047 0.000 1.274 504 W CB -0.696 28.792 29.460 0.046 0.000 1.148 504 W HN 0.040 nan 8.180 nan 0.000 0.498 505 Y N 1.311 121.777 120.300 0.275 0.000 2.097 505 Y HA -0.294 4.256 4.550 -0.000 0.000 0.282 505 Y C 2.644 178.649 175.900 0.175 0.000 1.152 505 Y CA 2.029 60.293 58.100 0.274 0.000 1.136 505 Y CB -0.695 37.990 38.460 0.375 0.000 0.975 505 Y HN -0.202 nan 8.280 nan 0.000 0.498 506 R N -0.283 120.341 120.500 0.206 0.000 2.096 506 R HA -0.221 4.119 4.340 -0.000 0.000 0.240 506 R C 2.234 178.517 176.300 -0.028 0.000 1.139 506 R CA 1.799 57.924 56.100 0.043 0.000 0.952 506 R CB -0.821 29.532 30.300 0.090 0.000 0.854 506 R HN 0.453 nan 8.270 nan 0.000 0.436 507 L N 0.285 121.534 121.223 0.044 0.000 2.083 507 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 507 L C 2.031 178.936 176.870 0.059 0.000 1.083 507 L CA 2.213 57.088 54.840 0.058 0.000 0.752 507 L CB -0.827 41.314 42.059 0.137 0.000 0.899 507 L HN 0.168 nan 8.230 nan 0.000 0.433 508 G N -0.426 108.404 108.800 0.050 0.000 2.404 508 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.215 508 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.215 508 G C 1.692 176.564 174.900 -0.046 0.000 1.174 508 G CA 0.902 46.037 45.100 0.058 0.000 0.780 508 G HN 0.469 nan 8.290 nan 0.000 0.537 509 I N -0.054 120.274 120.570 -0.403 0.000 2.315 509 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 509 I C 2.833 178.820 176.117 -0.216 0.000 1.117 509 I CA 1.414 62.337 61.300 -0.629 0.000 1.404 509 I CB 0.030 37.509 38.000 -0.868 0.000 1.071 509 I HN 0.226 nan 8.210 nan 0.000 0.419 510 Q N 0.534 120.276 119.800 -0.097 0.000 2.077 510 Q HA -0.313 4.027 4.340 -0.000 0.000 0.206 510 Q C 2.060 178.084 176.000 0.040 0.000 0.989 510 Q CA 2.550 58.356 55.803 0.005 0.000 0.853 510 Q CB -0.553 28.189 28.738 0.006 0.000 0.907 510 Q HN 0.589 nan 8.270 nan 0.000 0.418 511 F N -0.130 119.781 119.950 -0.066 0.000 2.186 511 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 511 F C 1.987 177.777 175.800 -0.017 0.000 1.090 511 F CA 1.596 59.570 58.000 -0.044 0.000 1.307 511 F CB -0.318 38.663 39.000 -0.032 0.000 1.019 511 F HN 0.021 nan 8.300 nan 0.000 0.489 512 S N -0.776 114.932 115.700 0.014 0.000 2.382 512 S HA -0.248 4.222 4.470 -0.000 0.000 0.228 512 S C 1.972 176.517 174.600 -0.091 0.000 1.027 512 S CA 1.345 59.518 58.200 -0.044 0.000 0.991 512 S CB -0.860 62.410 63.200 0.117 0.000 0.823 512 S HN 0.679 nan 8.310 nan 0.000 0.469 513 H N 2.039 121.006 119.070 -0.172 0.000 2.293 513 H HA -0.081 4.475 4.556 -0.000 0.000 0.300 513 H C 2.529 177.757 175.328 -0.167 0.000 1.082 513 H CA 1.623 57.584 56.048 -0.144 0.000 1.308 513 H CB -0.009 29.682 29.762 -0.118 0.000 1.375 513 H HN 0.355 nan 8.280 nan 0.000 0.495 514 R N 0.165 120.503 120.500 -0.271 0.000 2.189 514 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 514 R C 1.774 177.893 176.300 -0.301 0.000 1.092 514 R CA 1.409 57.308 56.100 -0.336 0.000 0.989 514 R CB -0.164 29.971 30.300 -0.275 0.000 0.876 514 R HN 0.076 nan 8.270 nan 0.000 0.457 515 S N 0.118 115.581 115.700 -0.394 0.000 2.555 515 S HA 0.103 4.573 4.470 -0.000 0.000 0.230 515 S C 1.166 175.649 174.600 -0.195 0.000 0.978 515 S CA 0.770 58.745 58.200 -0.376 0.000 0.934 515 S CB 0.266 63.105 63.200 -0.602 0.000 0.766 515 S HN 0.771 nan 8.310 nan 0.000 0.533 516 G N 1.409 110.125 108.800 -0.140 0.000 2.153 516 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.252 516 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.252 516 G C 0.355 175.227 174.900 -0.046 0.000 0.994 516 G CA 0.524 45.582 45.100 -0.069 0.000 0.698 516 G HN 0.650 nan 8.290 nan 0.000 0.521 517 L N -2.611 118.580 121.223 -0.053 0.000 2.910 517 L HA 0.870 5.210 4.340 -0.000 0.000 0.252 517 L C 0.367 177.236 176.870 -0.003 0.000 1.195 517 L CA -0.050 54.771 54.840 -0.032 0.000 1.003 517 L CB 0.238 42.270 42.059 -0.046 0.000 1.328 517 L HN 0.304 nan 8.230 nan 0.000 0.540 518 S N -1.675 114.031 115.700 0.011 0.000 2.615 518 S HA 0.760 5.230 4.470 -0.000 0.000 0.268 518 S C -0.198 174.395 174.600 -0.012 0.000 1.146 518 S CA -0.331 57.875 58.200 0.011 0.000 0.818 518 S CB 0.727 63.949 63.200 0.037 0.000 1.111 518 S HN 0.475 nan 8.310 nan 0.000 0.465 519 G N 1.022 109.774 108.800 -0.080 0.000 2.532 519 G HA2 0.522 4.481 3.960 -0.000 0.000 0.291 519 G HA3 0.522 4.481 3.960 -0.000 0.000 0.291 519 G C -2.123 172.521 174.900 -0.426 0.000 1.349 519 G CA -1.184 43.786 45.100 -0.218 0.000 1.038 519 G HN 0.506 nan 8.290 nan 0.000 0.518 520 P HA 0.095 nan 4.420 nan 0.000 0.221 520 P C 0.981 178.140 177.300 -0.235 0.000 1.150 520 P CA 0.933 63.714 63.100 -0.531 0.000 0.800 520 P CB 0.143 31.598 31.700 -0.408 0.000 0.787 521 G N -0.401 108.305 108.800 -0.158 0.000 2.425 521 G HA2 0.490 4.450 3.960 -0.000 0.000 0.302 521 G HA3 0.490 4.450 3.960 -0.000 0.000 0.302 521 G C 0.313 175.200 174.900 -0.022 0.000 1.159 521 G CA -0.223 44.843 45.100 -0.058 0.000 0.865 521 G HN 0.168 nan 8.290 nan 0.000 0.515 522 G N -1.195 107.645 108.800 0.066 0.000 2.563 522 G HA2 0.348 4.308 3.960 -0.000 0.000 0.283 522 G HA3 0.348 4.308 3.960 -0.000 0.000 0.283 522 G C 0.819 175.799 174.900 0.133 0.000 1.309 522 G CA -0.247 44.956 45.100 0.173 0.000 1.022 522 G HN 0.548 nan 8.290 nan 0.000 0.501 523 V N -0.962 119.042 119.914 0.150 0.000 3.235 523 V HA 0.006 4.126 4.120 -0.000 0.000 0.259 523 V C 1.315 177.443 176.094 0.057 0.000 1.133 523 V CA 0.925 63.272 62.300 0.079 0.000 1.128 523 V CB -0.320 31.537 31.823 0.056 0.000 0.757 523 V HN 0.768 nan 8.190 nan 0.000 0.469 524 V N 0.208 120.164 119.914 0.071 0.000 5.505 524 V HA -0.173 3.946 4.120 -0.000 0.000 0.308 524 V C 0.302 176.407 176.094 0.019 0.000 0.390 524 V CA 0.683 63.002 62.300 0.030 0.000 0.721 524 V CB -2.780 29.048 31.823 0.009 0.000 0.530 524 V HN 0.706 nan 8.190 nan 0.000 1.422 525 S N -2.232 113.491 115.700 0.039 0.000 2.566 525 S HA 0.780 5.250 4.470 -0.000 0.000 0.298 525 S C 0.570 175.203 174.600 0.055 0.000 1.083 525 S CA -0.279 57.943 58.200 0.037 0.000 0.978 525 S CB 2.416 65.638 63.200 0.037 0.000 1.073 525 S HN 0.329 nan 8.310 nan 0.000 0.491 526 V N 1.801 121.760 119.914 0.075 0.000 2.759 526 V HA -0.106 4.014 4.120 -0.000 0.000 0.256 526 V C 1.999 178.163 176.094 0.118 0.000 1.080 526 V CA 1.435 63.805 62.300 0.116 0.000 1.101 526 V CB -1.225 30.734 31.823 0.227 0.000 0.698 526 V HN 0.847 nan 8.190 nan 0.000 0.477 527 I N 0.454 121.075 120.570 0.085 0.000 2.163 527 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 527 I C 2.231 178.346 176.117 -0.003 0.000 1.081 527 I CA 1.945 63.272 61.300 0.045 0.000 1.353 527 I CB -0.426 37.587 38.000 0.022 0.000 1.054 527 I HN 0.280 nan 8.210 nan 0.000 0.407 528 D N 1.025 121.415 120.400 -0.016 0.000 2.117 528 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 528 D C 2.207 178.476 176.300 -0.051 0.000 0.987 528 D CA 1.263 55.200 54.000 -0.105 0.000 0.829 528 D CB -0.028 40.760 40.800 -0.021 0.000 0.961 528 D HN 0.239 nan 8.370 nan 0.000 0.460 529 I N -0.140 120.530 120.570 0.167 0.000 2.208 529 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 529 I C 2.059 178.373 176.117 0.328 0.000 1.097 529 I CA 0.669 62.186 61.300 0.362 0.000 1.363 529 I CB -0.125 37.988 38.000 0.188 0.000 1.051 529 I HN 0.091 nan 8.210 nan 0.000 0.413 530 M N 0.333 120.057 119.600 0.206 0.000 2.117 530 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 530 M C 2.342 178.746 176.300 0.172 0.000 1.065 530 M CA 2.012 57.458 55.300 0.243 0.000 1.114 530 M CB -0.947 31.773 32.600 0.200 0.000 1.361 530 M HN 0.148 nan 8.290 nan 0.000 0.408 531 T N -0.765 113.773 114.554 -0.025 0.000 2.708 531 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 531 T C 1.695 176.309 174.700 -0.143 0.000 1.037 531 T CA 1.496 63.474 62.100 -0.204 0.000 1.146 531 T CB -0.469 68.194 68.868 -0.342 0.000 0.865 531 T HN 0.370 nan 8.240 nan 0.000 0.435 532 H N 1.028 120.133 119.070 0.059 0.000 2.353 532 H HA 0.088 4.644 4.556 0.000 0.000 0.300 532 H C 2.391 177.789 175.328 0.117 0.000 1.090 532 H CA 0.812 56.874 56.048 0.023 0.000 1.327 532 H CB -0.720 28.964 29.762 -0.129 0.000 1.383 532 H HN 0.280 nan 8.280 nan 0.000 0.508 533 L N 0.073 121.538 121.223 0.404 0.000 2.042 533 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 533 L C 2.825 179.894 176.870 0.331 0.000 1.076 533 L CA 1.058 56.157 54.840 0.432 0.000 0.749 533 L CB -0.541 41.826 42.059 0.512 0.000 0.893 533 L HN 0.244 nan 8.230 nan 0.000 0.432 534 A N 0.185 123.103 122.820 0.163 0.000 1.841 534 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 534 A C 2.341 179.834 177.584 -0.151 0.000 1.199 534 A CA 1.772 53.635 52.037 -0.291 0.000 0.621 534 A CB -0.619 17.834 19.000 -0.911 0.000 0.835 534 A HN 0.297 nan 8.150 nan 0.000 0.445 535 R N -0.853 119.552 120.500 -0.159 0.000 2.117 535 R HA -0.135 4.205 4.340 -0.000 0.000 0.243 535 R C 2.346 178.620 176.300 -0.044 0.000 1.143 535 R CA 1.171 57.188 56.100 -0.138 0.000 0.968 535 R CB -0.728 29.485 30.300 -0.145 0.000 0.863 535 R HN 0.583 nan 8.270 nan 0.000 0.444 536 G N 1.116 109.947 108.800 0.052 0.000 2.545 536 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 536 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 536 G C 1.361 176.254 174.900 -0.011 0.000 1.218 536 G CA 0.741 45.926 45.100 0.142 0.000 0.787 536 G HN 0.172 nan 8.290 nan 0.000 0.571 537 L N -0.815 120.284 121.223 -0.206 0.000 2.131 537 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 537 L C 2.625 179.348 176.870 -0.245 0.000 1.092 537 L CA 0.776 55.294 54.840 -0.537 0.000 0.759 537 L CB -0.336 41.488 42.059 -0.391 0.000 0.903 537 L HN 0.498 nan 8.230 nan 0.000 0.435 538 W N 1.052 122.210 121.300 -0.236 0.000 2.353 538 W HA -0.228 4.432 4.660 -0.000 0.000 0.319 538 W C 2.081 178.509 176.519 -0.153 0.000 1.207 538 W CA 1.546 58.782 57.345 -0.181 0.000 1.291 538 W CB -0.256 29.102 29.460 -0.169 0.000 1.159 538 W HN 0.096 nan 8.180 nan 0.000 0.478 539 L N 0.385 121.592 121.223 -0.026 0.000 2.141 539 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 539 L C 2.486 179.363 176.870 0.012 0.000 1.094 539 L CA 1.680 56.490 54.840 -0.049 0.000 0.763 539 L CB -1.036 40.980 42.059 -0.072 0.000 0.908 539 L HN 0.139 nan 8.230 nan 0.000 0.437 540 G N -2.240 106.564 108.800 0.007 0.000 3.274 540 G HA2 0.052 4.012 3.960 -0.000 0.000 0.250 540 G HA3 0.052 4.012 3.960 -0.000 0.000 0.250 540 G C 0.364 175.361 174.900 0.162 0.000 1.024 540 G CA -0.159 45.060 45.100 0.198 0.000 0.840 540 G HN 0.097 nan 8.290 nan 0.000 0.522 541 S N 2.444 118.049 115.700 -0.158 0.000 2.575 541 S HA 0.140 4.610 4.470 -0.000 0.000 0.295 541 S C -0.733 173.877 174.600 0.017 0.000 1.267 541 S CA -0.404 57.709 58.200 -0.145 0.000 1.074 541 S CB 1.823 64.855 63.200 -0.281 0.000 0.829 541 S HN 0.237 nan 8.310 nan 0.000 0.497 542 P HA 0.142 nan 4.420 nan 0.000 0.219 542 P C 0.628 177.953 177.300 0.043 0.000 1.154 542 P CA 0.748 63.910 63.100 0.104 0.000 0.826 542 P CB 0.219 32.004 31.700 0.141 0.000 0.795 543 G N -0.885 107.921 108.800 0.010 0.000 2.663 543 G HA2 0.562 4.522 3.960 -0.000 0.000 0.299 543 G HA3 0.562 4.522 3.960 -0.000 0.000 0.299 543 G C -1.850 173.021 174.900 -0.047 0.000 1.372 543 G CA -0.807 44.271 45.100 -0.037 0.000 0.781 543 G HN 0.125 nan 8.290 nan 0.000 0.491 544 F N -1.521 118.373 119.950 -0.093 0.000 2.588 544 F HA 0.817 5.344 4.527 0.000 0.000 0.314 544 F C -1.644 174.123 175.800 -0.054 0.000 1.069 544 F CA -2.026 55.859 58.000 -0.191 0.000 0.931 544 F CB 1.309 40.254 39.000 -0.093 0.000 1.260 544 F HN 0.395 nan 8.300 nan 0.000 0.465 545 Y N 1.788 122.207 120.300 0.199 0.000 2.308 545 Y HA 0.512 5.062 4.550 -0.000 0.000 0.329 545 Y C 0.189 176.206 175.900 0.196 0.000 1.111 545 Y CA -1.977 56.182 58.100 0.099 0.000 1.179 545 Y CB 1.105 39.614 38.460 0.083 0.000 1.201 545 Y HN 0.634 nan 8.280 nan 0.000 0.483 546 V N 1.598 121.675 119.914 0.272 0.000 2.432 546 V HA 0.380 4.500 4.120 -0.000 0.000 0.275 546 V C 0.195 176.374 176.094 0.142 0.000 1.043 546 V CA -1.143 61.287 62.300 0.217 0.000 0.925 546 V CB 0.716 32.629 31.823 0.151 0.000 0.985 546 V HN 0.766 nan 8.190 nan 0.000 0.466 547 E N 4.127 124.403 120.200 0.126 0.000 2.392 547 E HA 0.200 4.550 4.350 -0.000 0.000 0.256 547 E C -0.343 176.281 176.600 0.040 0.000 1.145 547 E CA -0.519 55.927 56.400 0.077 0.000 0.929 547 E CB 0.624 30.363 29.700 0.065 0.000 0.998 547 E HN 0.729 nan 8.360 nan 0.000 0.442 559 P HA 0.529 nan 4.420 nan 0.000 0.346 559 P C -0.624 176.655 177.300 -0.035 0.000 1.325 559 P CA 0.026 63.076 63.100 -0.083 0.000 0.803 559 P CB 0.606 32.247 31.700 -0.098 0.000 1.856 560 T N 0.379 114.934 114.554 0.001 0.000 2.779 560 T HA 0.507 4.857 4.350 -0.000 0.000 0.280 560 T C 0.246 174.897 174.700 -0.082 0.000 0.987 560 T CA -0.330 61.795 62.100 0.042 0.000 0.966 560 T CB 0.162 69.126 68.868 0.161 0.000 0.933 560 T HN 0.148 nan 8.240 nan 0.000 0.442 561 I N 6.531 126.928 120.570 -0.288 0.000 2.396 561 I HA 0.233 4.403 4.170 -0.000 0.000 0.289 561 I C -1.929 173.986 176.117 -0.337 0.000 1.056 561 I CA -2.178 58.905 61.300 -0.362 0.000 1.365 561 I CB 0.901 38.483 38.000 -0.697 0.000 1.407 561 I HN 0.295 nan 8.210 nan 0.000 0.509 562 P HA 0.155 nan 4.420 nan 0.000 0.286 562 P C -0.572 176.794 177.300 0.111 0.000 1.269 562 P CA -0.290 62.828 63.100 0.030 0.000 0.787 562 P CB 1.481 33.218 31.700 0.062 0.000 0.920 563 V N 5.857 125.821 119.914 0.082 0.000 2.334 563 V HA 0.085 4.205 4.120 -0.000 0.000 0.267 563 V C 0.963 177.026 176.094 -0.051 0.000 1.040 563 V CA 0.048 62.402 62.300 0.090 0.000 0.866 563 V CB 0.225 32.111 31.823 0.104 0.000 1.019 563 V HN 0.427 nan 8.190 nan 0.000 0.468 564 L N 3.474 124.686 121.223 -0.019 0.000 3.429 564 L HA 0.333 4.673 4.340 -0.000 0.000 0.311 564 L C 1.104 177.952 176.870 -0.037 0.000 1.274 564 L CA -0.125 54.706 54.840 -0.016 0.000 1.037 564 L CB -1.067 41.034 42.059 0.071 0.000 1.433 564 L HN 0.465 nan 8.230 nan 0.000 0.614 565 Y N -1.500 118.876 120.300 0.128 0.000 2.651 565 Y HA 0.073 4.623 4.550 -0.000 0.000 0.296 565 Y C 1.928 177.856 175.900 0.047 0.000 1.150 565 Y CA 0.625 58.823 58.100 0.164 0.000 1.348 565 Y CB -0.779 37.773 38.460 0.154 0.000 0.983 565 Y HN 0.341 nan 8.280 nan 0.000 0.555 566 I N -0.881 119.523 120.570 -0.278 0.000 2.500 566 I HA -0.200 3.970 4.170 -0.000 0.000 0.252 566 I C 1.307 177.223 176.117 -0.335 0.000 1.142 566 I CA 0.836 61.909 61.300 -0.379 0.000 1.451 566 I CB -0.080 37.437 38.000 -0.805 0.000 1.093 566 I HN 0.133 nan 8.210 nan 0.000 0.430 567 Y N -0.514 119.677 120.300 -0.183 0.000 2.561 567 Y HA -0.103 4.447 4.550 -0.000 0.000 0.291 567 Y C 2.173 177.972 175.900 -0.169 0.000 1.141 567 Y CA 0.764 58.751 58.100 -0.188 0.000 1.303 567 Y CB -0.443 37.852 38.460 -0.274 0.000 1.015 567 Y HN 0.252 nan 8.280 nan 0.000 0.547 568 H N -0.199 118.945 119.070 0.125 0.000 2.551 568 H HA 0.136 4.692 4.556 -0.000 0.000 0.266 568 H C 0.586 175.966 175.328 0.086 0.000 0.977 568 H CA 0.127 56.236 56.048 0.103 0.000 1.163 568 H CB 0.112 29.940 29.762 0.109 0.000 1.381 568 H HN 0.195 nan 8.280 nan 0.000 0.581 569 R N 1.203 121.802 120.500 0.165 0.000 2.570 569 R HA -0.030 4.310 4.340 -0.000 0.000 0.277 569 R C 1.422 177.806 176.300 0.140 0.000 1.039 569 R CA 0.470 56.648 56.100 0.130 0.000 1.065 569 R CB 0.553 30.902 30.300 0.083 0.000 0.964 569 R HN 0.233 nan 8.270 nan 0.000 0.428 570 S N 0.803 116.578 115.700 0.125 0.000 2.515 570 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 570 S C 0.692 175.355 174.600 0.106 0.000 0.987 570 S CA -0.060 58.203 58.200 0.106 0.000 0.936 570 S CB 0.278 63.528 63.200 0.083 0.000 0.766 570 S HN 0.283 nan 8.310 nan 0.000 0.528 571 V N 2.376 122.378 119.914 0.147 0.000 2.407 571 V HA 0.463 4.583 4.120 -0.000 0.000 0.291 571 V C -0.490 175.700 176.094 0.159 0.000 1.018 571 V CA -0.839 61.539 62.300 0.131 0.000 0.842 571 V CB 1.603 33.506 31.823 0.133 0.000 0.996 571 V HN 0.225 nan 8.190 nan 0.000 0.426 572 Q N 1.517 121.362 119.800 0.076 0.000 2.180 572 Q HA 0.508 4.848 4.340 -0.000 0.000 0.241 572 Q C -0.349 175.633 176.000 -0.031 0.000 0.970 572 Q CA -0.390 55.456 55.803 0.072 0.000 0.919 572 Q CB 2.250 31.043 28.738 0.092 0.000 1.222 572 Q HN 0.820 nan 8.270 nan 0.000 0.482 573 C N 2.546 121.864 119.300 0.031 0.000 3.418 573 C HA 0.382 4.842 4.460 -0.000 0.000 0.238 573 C C -1.724 173.346 174.990 0.133 0.000 1.205 573 C CA -1.475 57.554 59.018 0.018 0.000 1.376 573 C CB -0.237 27.489 27.740 -0.024 0.000 1.826 573 C HN 0.562 nan 8.230 nan 0.000 0.513 574 P HA -0.092 nan 4.420 nan 0.000 0.218 574 P C 1.706 179.042 177.300 0.060 0.000 1.149 574 P CA 1.261 64.419 63.100 0.095 0.000 0.817 574 P CB 0.134 31.868 31.700 0.056 0.000 0.785 575 V N -0.775 119.152 119.914 0.021 0.000 2.317 575 V HA -0.249 3.871 4.120 -0.000 0.000 0.251 575 V C 2.271 178.350 176.094 -0.026 0.000 1.065 575 V CA 1.850 64.144 62.300 -0.009 0.000 1.049 575 V CB -1.138 30.665 31.823 -0.034 0.000 0.651 575 V HN 0.100 nan 8.190 nan 0.000 0.450 576 L N -2.702 118.486 121.223 -0.058 0.000 2.347 576 L HA 0.114 4.454 4.340 -0.000 0.000 0.196 576 L C 2.355 179.071 176.870 -0.257 0.000 1.072 576 L CA 0.833 55.538 54.840 -0.224 0.000 0.817 576 L CB -0.362 41.426 42.059 -0.452 0.000 1.029 576 L HN 0.212 nan 8.230 nan 0.000 0.478 577 Y N 0.205 120.551 120.300 0.077 0.000 2.476 577 Y HA 0.355 4.905 4.550 -0.000 0.000 0.283 577 Y C 1.631 177.652 175.900 0.202 0.000 1.109 577 Y CA 0.459 58.618 58.100 0.099 0.000 1.246 577 Y CB -0.242 38.182 38.460 -0.061 0.000 1.068 577 Y HN 0.252 nan 8.280 nan 0.000 0.552 578 G N -0.033 108.936 108.800 0.282 0.000 2.499 578 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.232 578 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.232 578 G C -0.412 174.643 174.900 0.259 0.000 1.251 578 G CA -0.257 44.965 45.100 0.204 0.000 0.917 578 G HN 0.225 nan 8.290 nan 0.000 0.580 579 S N -1.158 114.614 115.700 0.120 0.000 2.556 579 S HA 0.620 5.090 4.470 -0.000 0.000 0.271 579 S C -0.308 174.201 174.600 -0.151 0.000 1.135 579 S CA -0.646 57.573 58.200 0.032 0.000 0.858 579 S CB 1.486 64.704 63.200 0.030 0.000 1.114 579 S HN 0.838 nan 8.310 nan 0.000 0.468 580 L N 3.755 124.808 121.223 -0.283 0.000 2.334 580 L HA 0.434 4.774 4.340 -0.000 0.000 0.286 580 L C 0.539 177.306 176.870 -0.171 0.000 1.108 580 L CA 0.049 54.703 54.840 -0.310 0.000 0.875 580 L CB -0.537 41.245 42.059 -0.461 0.000 1.246 580 L HN 1.102 nan 8.230 nan 0.000 0.439 586 G N 3.275 112.057 108.800 -0.029 0.000 2.522 586 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.436 586 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.436 586 G C -1.138 173.727 174.900 -0.058 0.000 1.353 586 G CA 0.759 45.842 45.100 -0.030 0.000 0.917 586 G HN 0.535 nan 8.290 nan 0.000 0.527 587 P HA 0.299 nan 4.420 nan 0.000 0.279 587 P C 1.396 178.578 177.300 -0.196 0.000 1.237 587 P CA 0.691 63.701 63.100 -0.149 0.000 0.888 587 P CB 0.786 32.376 31.700 -0.184 0.000 1.324 588 V N 0.393 120.242 119.914 -0.109 0.000 2.743 588 V HA 0.139 4.259 4.120 -0.000 0.000 0.237 588 V C 2.603 178.729 176.094 0.053 0.000 1.113 588 V CA 1.443 63.724 62.300 -0.031 0.000 1.141 588 V CB -1.123 30.756 31.823 0.092 0.000 0.873 588 V HN -0.008 nan 8.190 nan 0.000 0.486 589 A N 1.308 124.174 122.820 0.075 0.000 1.927 589 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 589 A C 2.515 180.052 177.584 -0.077 0.000 1.185 589 A CA 2.904 54.943 52.037 0.005 0.000 0.639 589 A CB -0.957 18.017 19.000 -0.043 0.000 0.820 589 A HN 0.715 nan 8.150 nan 0.000 0.451 590 S N 0.223 115.885 115.700 -0.064 0.000 2.370 590 S HA -0.254 4.216 4.470 -0.000 0.000 0.226 590 S C 1.856 176.430 174.600 -0.043 0.000 1.033 590 S CA 1.594 59.754 58.200 -0.066 0.000 1.011 590 S CB -0.500 62.662 63.200 -0.064 0.000 0.852 590 S HN 0.658 nan 8.310 nan 0.000 0.457 591 K N 0.849 121.234 120.400 -0.025 0.000 2.057 591 K HA -0.013 4.307 4.320 -0.000 0.000 0.207 591 K C 2.241 178.859 176.600 0.029 0.000 1.049 591 K CA 1.458 57.753 56.287 0.014 0.000 0.931 591 K CB -0.691 31.838 32.500 0.049 0.000 0.714 591 K HN 0.319 nan 8.250 nan 0.000 0.440 592 V N 1.827 121.758 119.914 0.028 0.000 2.295 592 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 592 V C 2.275 178.351 176.094 -0.031 0.000 1.049 592 V CA 1.381 63.691 62.300 0.016 0.000 1.024 592 V CB -0.435 31.410 31.823 0.037 0.000 0.648 592 V HN 0.219 nan 8.190 nan 0.000 0.447 593 L N 0.897 122.069 121.223 -0.084 0.000 2.012 593 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 593 L C 2.524 179.401 176.870 0.011 0.000 1.073 593 L CA 2.355 57.148 54.840 -0.079 0.000 0.748 593 L CB -1.009 40.974 42.059 -0.127 0.000 0.891 593 L HN 0.233 nan 8.230 nan 0.000 0.431 594 A N -0.317 122.502 122.820 -0.002 0.000 1.884 594 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 594 A C 2.272 179.867 177.584 0.019 0.000 1.197 594 A CA 2.514 54.556 52.037 0.009 0.000 0.637 594 A CB -1.169 17.836 19.000 0.008 0.000 0.827 594 A HN 0.536 nan 8.150 nan 0.000 0.450 595 L N -2.500 118.740 121.223 0.028 0.000 2.093 595 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 595 L C 2.602 179.477 176.870 0.007 0.000 1.085 595 L CA 1.692 56.548 54.840 0.027 0.000 0.755 595 L CB -0.653 41.428 42.059 0.036 0.000 0.904 595 L HN 0.613 nan 8.230 nan 0.000 0.435 596 Y N 1.132 121.342 120.300 -0.150 0.000 2.181 596 Y HA -0.257 4.293 4.550 -0.000 0.000 0.288 596 Y C 2.473 178.265 175.900 -0.181 0.000 1.146 596 Y CA 1.752 59.684 58.100 -0.280 0.000 1.164 596 Y CB -0.070 38.165 38.460 -0.375 0.000 0.982 596 Y HN 0.153 nan 8.280 nan 0.000 0.515 597 E N -0.186 119.962 120.200 -0.086 0.000 2.152 597 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 597 E C 1.992 178.523 176.600 -0.113 0.000 0.983 597 E CA 1.004 57.325 56.400 -0.130 0.000 0.818 597 E CB 0.005 29.697 29.700 -0.014 0.000 0.758 597 E HN 0.486 nan 8.360 nan 0.000 0.467 598 K N 0.335 120.698 120.400 -0.062 0.000 2.217 598 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 598 K C 2.041 178.644 176.600 0.005 0.000 1.051 598 K CA 0.594 56.872 56.287 -0.015 0.000 0.952 598 K CB 0.093 32.599 32.500 0.010 0.000 0.736 598 K HN 0.139 nan 8.250 nan 0.000 0.453 599 I N 0.898 121.445 120.570 -0.038 0.000 2.617 599 I HA -0.163 4.007 4.170 -0.000 0.000 0.256 599 I C 1.594 177.729 176.117 0.030 0.000 1.167 599 I CA 0.641 61.950 61.300 0.016 0.000 1.469 599 I CB 0.260 38.303 38.000 0.073 0.000 1.098 599 I HN 0.119 nan 8.210 nan 0.000 0.436 600 L N 0.377 121.540 121.223 -0.100 0.000 2.072 600 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 600 L C 2.634 179.505 176.870 0.002 0.000 1.079 600 L CA 1.144 55.935 54.840 -0.082 0.000 0.752 600 L CB -0.732 41.184 42.059 -0.238 0.000 0.906 600 L HN 0.211 nan 8.230 nan 0.000 0.436 601 A N -0.964 121.852 122.820 -0.006 0.000 2.168 601 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 601 A C 0.900 178.505 177.584 0.035 0.000 1.152 601 A CA 0.004 52.043 52.037 0.004 0.000 0.716 601 A CB -0.709 18.285 19.000 -0.010 0.000 0.794 601 A HN 0.373 nan 8.150 nan 0.000 0.465 602 Y N 2.126 122.408 120.300 -0.031 0.000 2.802 602 Y HA 0.161 4.711 4.550 0.000 0.000 0.333 602 Y C -0.159 175.730 175.900 -0.017 0.000 1.244 602 Y CA -0.417 57.672 58.100 -0.019 0.000 1.558 602 Y CB 0.081 38.536 38.460 -0.008 0.000 1.233 602 Y HN 0.294 nan 8.280 nan 0.000 0.547 603 E N 3.710 123.564 120.200 -0.577 0.000 2.383 603 E HA 0.057 4.407 4.350 -0.000 0.000 0.257 603 E C -0.266 176.100 176.600 -0.389 0.000 1.079 603 E CA 0.272 56.427 56.400 -0.409 0.000 0.934 603 E CB -0.010 29.472 29.700 -0.363 0.000 0.978 603 E HN 0.516 nan 8.360 nan 0.000 0.462 604 S N 1.499 117.114 115.700 -0.141 0.000 2.414 604 S HA 0.059 4.529 4.470 -0.000 0.000 0.290 604 S C 0.784 175.320 174.600 -0.106 0.000 1.160 604 S CA -0.488 57.691 58.200 -0.034 0.000 1.069 604 S CB 0.732 63.922 63.200 -0.017 0.000 1.012 604 S HN 0.414 nan 8.310 nan 0.000 0.510 605 S N 2.510 118.184 115.700 -0.043 0.000 2.851 605 S HA 0.191 4.661 4.470 -0.000 0.000 0.227 605 S C 1.163 175.731 174.600 -0.053 0.000 0.958 605 S CA -0.253 57.915 58.200 -0.054 0.000 0.990 605 S CB -1.150 62.041 63.200 -0.016 0.000 0.790 605 S HN 1.212 nan 8.310 nan 0.000 0.509 606 G N 1.111 109.837 108.800 -0.124 0.000 2.851 606 G HA2 0.233 4.193 3.960 -0.000 0.000 0.313 606 G HA3 0.233 4.193 3.960 -0.000 0.000 0.313 606 G C 0.647 175.523 174.900 -0.041 0.000 0.375 606 G CA 0.080 45.092 45.100 -0.147 0.000 1.254 606 G HN 0.665 nan 8.290 nan 0.000 0.220 607 G N 1.506 110.328 108.800 0.036 0.000 3.372 607 G HA2 0.324 4.284 3.960 -0.000 0.000 0.178 607 G HA3 0.324 4.284 3.960 -0.000 0.000 0.178 607 G C 1.773 176.712 174.900 0.066 0.000 1.817 607 G CA 0.739 45.861 45.100 0.035 0.000 0.996 607 G HN 0.931 nan 8.290 nan 0.000 0.559 608 S N -0.355 115.377 115.700 0.053 0.000 2.436 608 S HA 0.044 4.514 4.470 -0.000 0.000 0.228 608 S C 1.997 176.629 174.600 0.053 0.000 1.014 608 S CA 1.171 59.401 58.200 0.050 0.000 0.950 608 S CB -0.073 63.149 63.200 0.037 0.000 0.784 608 S HN 0.396 nan 8.310 nan 0.000 0.504 609 K N 0.843 121.279 120.400 0.059 0.000 2.026 609 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 609 K C 2.210 178.842 176.600 0.053 0.000 1.048 609 K CA 1.678 57.994 56.287 0.049 0.000 0.929 609 K CB -0.381 32.151 32.500 0.053 0.000 0.713 609 K HN 0.573 nan 8.250 nan 0.000 0.439 610 H N 0.425 119.493 119.070 -0.002 0.000 2.422 610 H HA -0.067 4.488 4.556 -0.000 0.000 0.298 610 H C 1.656 176.974 175.328 -0.017 0.000 1.098 610 H CA 1.665 57.709 56.048 -0.007 0.000 1.315 610 H CB 0.048 29.813 29.762 0.005 0.000 1.382 610 H HN 0.132 nan 8.280 nan 0.000 0.523 611 I N -0.119 120.492 120.570 0.068 0.000 2.286 611 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 611 I C 2.722 178.806 176.117 -0.055 0.000 1.104 611 I CA 0.846 62.151 61.300 0.009 0.000 1.397 611 I CB -0.372 37.655 38.000 0.044 0.000 1.072 611 I HN 0.398 nan 8.210 nan 0.000 0.417 612 A N 0.897 123.691 122.820 -0.044 0.000 1.902 612 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 612 A C 2.568 180.069 177.584 -0.138 0.000 1.181 612 A CA 1.775 53.771 52.037 -0.068 0.000 0.623 612 A CB -0.875 18.104 19.000 -0.034 0.000 0.818 612 A HN 0.403 nan 8.150 nan 0.000 0.443 613 A N -0.571 122.154 122.820 -0.159 0.000 1.873 613 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 613 A C 2.148 179.589 177.584 -0.239 0.000 1.193 613 A CA 1.866 53.774 52.037 -0.216 0.000 0.629 613 A CB -0.719 18.139 19.000 -0.236 0.000 0.826 613 A HN 0.653 nan 8.150 nan 0.000 0.447 614 Q N -0.904 118.747 119.800 -0.248 0.000 2.084 614 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 614 Q C 2.328 178.242 176.000 -0.144 0.000 0.978 614 Q CA 2.162 57.847 55.803 -0.197 0.000 0.844 614 Q CB -0.457 28.177 28.738 -0.173 0.000 0.898 614 Q HN 0.909 nan 8.270 nan 0.000 0.426 615 T N -1.549 112.928 114.554 -0.129 0.000 2.904 615 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 615 T C 1.995 176.596 174.700 -0.164 0.000 1.059 615 T CA 0.954 62.993 62.100 -0.101 0.000 1.137 615 T CB -0.405 68.428 68.868 -0.060 0.000 0.879 615 T HN 0.002 nan 8.240 nan 0.000 0.467 616 V N 1.981 121.731 119.914 -0.274 0.000 2.358 616 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 616 V C 3.034 178.925 176.094 -0.339 0.000 1.047 616 V CA 1.817 63.834 62.300 -0.473 0.000 1.035 616 V CB -0.959 30.524 31.823 -0.567 0.000 0.658 616 V HN 0.650 nan 8.190 nan 0.000 0.452 617 S N 0.120 115.671 115.700 -0.248 0.000 2.402 617 S HA -0.257 4.213 4.470 -0.000 0.000 0.233 617 S C 2.020 176.550 174.600 -0.117 0.000 1.030 617 S CA 1.826 59.916 58.200 -0.185 0.000 1.003 617 S CB -0.229 62.877 63.200 -0.157 0.000 0.813 617 S HN 0.648 nan 8.310 nan 0.000 0.477 618 R N -0.182 120.266 120.500 -0.087 0.000 2.308 618 R HA 0.290 4.630 4.340 -0.000 0.000 0.202 618 R C 1.389 177.702 176.300 0.022 0.000 0.898 618 R CA 0.563 56.648 56.100 -0.026 0.000 1.046 618 R CB 0.021 30.312 30.300 -0.015 0.000 1.026 618 R HN 0.273 nan 8.270 nan 0.000 0.512 619 S N 1.244 116.955 115.700 0.018 0.000 2.660 619 S HA 0.182 4.652 4.470 -0.000 0.000 0.227 619 S C 1.409 176.182 174.600 0.288 0.000 0.948 619 S CA 0.039 58.331 58.200 0.154 0.000 0.948 619 S CB 0.075 63.398 63.200 0.205 0.000 0.779 619 S HN 0.217 nan 8.310 nan 0.000 0.487 620 L N 0.748 122.085 121.223 0.190 0.000 2.465 620 L HA 0.094 4.434 4.340 -0.000 0.000 0.224 620 L C 1.758 178.890 176.870 0.436 0.000 1.145 620 L CA 0.477 55.498 54.840 0.302 0.000 0.834 620 L CB -0.769 41.345 42.059 0.091 0.000 0.944 620 L HN 0.401 nan 8.230 nan 0.000 0.451 621 A N -0.343 122.665 122.820 0.315 0.000 2.799 621 A HA -0.185 4.135 4.320 -0.000 0.000 0.274 621 A C 0.266 177.980 177.584 0.217 0.000 1.393 621 A CA 1.067 53.260 52.037 0.261 0.000 0.909 621 A CB -1.909 17.264 19.000 0.287 0.000 1.012 621 A HN 0.223 nan 8.150 nan 0.000 0.653 622 V N 0.999 121.039 119.914 0.210 0.000 2.808 622 V HA 0.547 4.667 4.120 -0.000 0.000 0.308 622 V C -2.300 173.859 176.094 0.108 0.000 1.099 622 V CA -1.025 61.378 62.300 0.172 0.000 0.920 622 V CB 2.397 34.371 31.823 0.251 0.000 1.014 622 V HN 0.397 nan 8.190 nan 0.000 0.425 623 P HA 0.315 nan 4.420 nan 0.000 0.271 623 P C -0.644 176.677 177.300 0.035 0.000 1.233 623 P CA 0.112 63.243 63.100 0.052 0.000 0.764 623 P CB 0.523 32.251 31.700 0.047 0.000 0.825 624 I N 2.042 122.620 120.570 0.015 0.000 2.577 624 I HA 0.568 4.738 4.170 -0.000 0.000 0.305 624 I C -1.952 174.157 176.117 -0.014 0.000 0.986 624 I CA -3.002 58.288 61.300 -0.016 0.000 1.189 624 I CB 0.546 38.524 38.000 -0.037 0.000 1.355 624 I HN 0.139 nan 8.210 nan 0.000 0.476 625 P HA 0.018 nan 4.420 nan 0.000 0.270 625 P C -0.332 176.978 177.300 0.017 0.000 1.221 625 P CA -0.208 62.884 63.100 -0.013 0.000 0.788 625 P CB 0.278 31.942 31.700 -0.060 0.000 0.904 626 S N -1.339 114.386 115.700 0.041 0.000 2.584 626 S HA 0.462 4.932 4.470 -0.000 0.000 0.273 626 S C 1.066 175.707 174.600 0.067 0.000 1.311 626 S CA 0.048 58.276 58.200 0.047 0.000 1.034 626 S CB 0.398 63.624 63.200 0.043 0.000 0.939 626 S HN 1.008 nan 8.310 nan 0.000 0.513 627 G N 1.338 110.177 108.800 0.066 0.000 2.283 627 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.280 627 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.280 627 G C 0.486 175.464 174.900 0.129 0.000 1.029 627 G CA 0.590 45.741 45.100 0.085 0.000 0.840 627 G HN 1.085 nan 8.290 nan 0.000 0.505 628 T N -1.179 113.451 114.554 0.126 0.000 3.023 628 T HA 0.333 4.683 4.350 -0.000 0.000 0.253 628 T C 2.465 177.268 174.700 0.171 0.000 1.038 628 T CA 0.806 63.019 62.100 0.188 0.000 0.962 628 T CB -0.073 68.877 68.868 0.136 0.000 1.018 628 T HN 0.270 nan 8.240 nan 0.000 0.521 629 I N 3.073 123.703 120.570 0.100 0.000 2.142 629 I HA -0.040 4.130 4.170 -0.000 0.000 0.240 629 I C -0.550 175.606 176.117 0.065 0.000 1.078 629 I CA 1.272 62.601 61.300 0.048 0.000 1.343 629 I CB -1.238 36.774 38.000 0.019 0.000 1.046 629 I HN 0.207 nan 8.210 nan 0.000 0.405 630 P HA -0.231 nan 4.420 nan 0.000 0.218 630 P C 1.870 179.252 177.300 0.136 0.000 1.148 630 P CA 1.676 64.832 63.100 0.094 0.000 0.822 630 P CB -0.197 31.560 31.700 0.094 0.000 0.784 631 F N 0.950 120.914 119.950 0.023 0.000 2.206 631 F HA -0.055 4.472 4.527 0.000 0.000 0.298 631 F C 2.125 177.931 175.800 0.010 0.000 1.090 631 F CA 0.600 58.612 58.000 0.020 0.000 1.323 631 F CB -1.143 37.960 39.000 0.172 0.000 1.028 631 F HN -0.265 nan 8.300 nan 0.000 0.492 632 L N 0.484 121.646 121.223 -0.103 0.000 2.046 632 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 632 L C 2.153 178.883 176.870 -0.232 0.000 1.077 632 L CA 1.679 56.377 54.840 -0.237 0.000 0.747 632 L CB -0.876 41.097 42.059 -0.143 0.000 0.896 632 L HN 0.110 nan 8.230 nan 0.000 0.432 633 I N -0.363 120.115 120.570 -0.152 0.000 2.179 633 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 633 I C 2.621 178.653 176.117 -0.141 0.000 1.088 633 I CA 1.206 62.410 61.300 -0.161 0.000 1.357 633 I CB -1.442 36.471 38.000 -0.144 0.000 1.051 633 I HN 0.354 nan 8.210 nan 0.000 0.409 634 R N 0.765 121.203 120.500 -0.104 0.000 2.091 634 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 634 R C 2.311 178.518 176.300 -0.155 0.000 1.136 634 R CA 1.188 57.242 56.100 -0.077 0.000 0.959 634 R CB -0.700 29.589 30.300 -0.018 0.000 0.856 634 R HN 0.421 nan 8.270 nan 0.000 0.437 635 L N 0.224 121.282 121.223 -0.276 0.000 2.095 635 L HA -0.053 4.287 4.340 -0.000 0.000 0.204 635 L C 2.537 179.296 176.870 -0.186 0.000 1.080 635 L CA 0.648 55.330 54.840 -0.263 0.000 0.759 635 L CB -0.489 41.329 42.059 -0.402 0.000 0.914 635 L HN 0.087 nan 8.230 nan 0.000 0.439 636 L N -0.315 120.781 121.223 -0.211 0.000 2.129 636 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 636 L C 2.793 179.586 176.870 -0.127 0.000 1.087 636 L CA 1.295 56.020 54.840 -0.191 0.000 0.757 636 L CB -0.403 41.517 42.059 -0.233 0.000 0.896 636 L HN 0.404 nan 8.230 nan 0.000 0.434 637 Q N -0.131 119.608 119.800 -0.102 0.000 1.993 637 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 637 Q C 2.355 178.342 176.000 -0.021 0.000 0.984 637 Q CA 1.638 57.414 55.803 -0.045 0.000 0.837 637 Q CB -0.201 28.532 28.738 -0.008 0.000 0.902 637 Q HN 0.506 nan 8.270 nan 0.000 0.423 638 I N 0.970 121.518 120.570 -0.037 0.000 2.185 638 I HA -0.347 3.823 4.170 -0.000 0.000 0.246 638 I C 2.447 178.597 176.117 0.055 0.000 1.088 638 I CA 1.174 62.471 61.300 -0.004 0.000 1.347 638 I CB -0.464 37.521 38.000 -0.026 0.000 1.041 638 I HN 0.203 nan 8.210 nan 0.000 0.415 639 A N 0.380 123.214 122.820 0.023 0.000 1.978 639 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 639 A C 2.174 179.808 177.584 0.083 0.000 1.170 639 A CA 1.529 53.595 52.037 0.048 0.000 0.636 639 A CB -0.678 18.290 19.000 -0.053 0.000 0.810 639 A HN 0.466 nan 8.150 nan 0.000 0.448 640 L N -0.437 120.816 121.223 0.049 0.000 2.592 640 L HA 0.066 4.406 4.340 -0.000 0.000 0.227 640 L C 1.291 178.224 176.870 0.105 0.000 1.127 640 L CA 0.398 55.279 54.840 0.068 0.000 0.884 640 L CB 0.033 42.102 42.059 0.016 0.000 1.065 640 L HN 0.405 nan 8.230 nan 0.000 0.457 641 T N -1.088 113.531 114.554 0.108 0.000 2.856 641 T HA 0.207 4.557 4.350 -0.000 0.000 0.292 641 T C -1.304 173.455 174.700 0.098 0.000 0.980 641 T CA -1.927 60.215 62.100 0.071 0.000 1.091 641 T CB 1.404 70.293 68.868 0.035 0.000 0.936 641 T HN -0.123 nan 8.240 nan 0.000 0.503 642 P HA -0.136 nan 4.420 nan 0.000 0.215 642 P C 0.964 178.033 177.300 -0.385 0.000 1.157 642 P CA 1.469 64.449 63.100 -0.199 0.000 0.868 642 P CB 0.029 31.401 31.700 -0.547 0.000 0.788 643 H N -1.595 117.408 119.070 -0.112 0.000 2.551 643 H HA 0.191 4.747 4.556 -0.000 0.000 0.271 643 H C 1.733 176.953 175.328 -0.180 0.000 0.984 643 H CA 0.311 56.264 56.048 -0.159 0.000 1.164 643 H CB 0.297 30.008 29.762 -0.084 0.000 1.437 643 H HN 0.034 nan 8.280 nan 0.000 0.550 644 V N 0.657 120.533 119.914 -0.063 0.000 3.263 644 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 644 V C 2.094 178.202 176.094 0.023 0.000 1.145 644 V CA 0.515 62.815 62.300 0.000 0.000 1.107 644 V CB -0.632 31.215 31.823 0.040 0.000 0.797 644 V HN 0.360 nan 8.190 nan 0.000 0.467 645 Y N 1.303 121.644 120.300 0.070 0.000 2.465 645 Y HA -0.150 4.400 4.550 -0.000 0.000 0.289 645 Y C 2.197 178.137 175.900 0.067 0.000 1.150 645 Y CA 0.474 58.611 58.100 0.062 0.000 1.293 645 Y CB -1.120 37.370 38.460 0.050 0.000 0.977 645 Y HN 0.184 nan 8.280 nan 0.000 0.556 646 Q N 1.717 121.508 119.800 -0.016 0.000 2.065 646 Q HA -0.267 4.073 4.340 -0.000 0.000 0.213 646 Q C 1.966 178.033 176.000 0.112 0.000 1.012 646 Q CA 2.568 58.398 55.803 0.044 0.000 0.876 646 Q CB -0.482 28.230 28.738 -0.043 0.000 0.954 646 Q HN 0.670 nan 8.270 nan 0.000 0.413 647 K N 0.095 120.546 120.400 0.086 0.000 2.116 647 K HA 0.044 4.364 4.320 -0.000 0.000 0.203 647 K C 2.393 178.990 176.600 -0.006 0.000 1.052 647 K CA 0.415 56.702 56.287 -0.001 0.000 0.952 647 K CB -0.061 32.410 32.500 -0.048 0.000 0.729 647 K HN 0.144 nan 8.250 nan 0.000 0.446 648 L N 1.286 122.581 121.223 0.120 0.000 2.042 648 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 648 L C 2.668 179.596 176.870 0.098 0.000 1.076 648 L CA 1.350 56.263 54.840 0.122 0.000 0.749 648 L CB -0.482 41.668 42.059 0.151 0.000 0.893 648 L HN 0.338 nan 8.230 nan 0.000 0.432 649 E N 0.618 120.911 120.200 0.156 0.000 2.038 649 E HA -0.296 4.054 4.350 -0.000 0.000 0.195 649 E C 2.262 178.925 176.600 0.106 0.000 1.000 649 E CA 1.635 58.120 56.400 0.143 0.000 0.803 649 E CB -0.098 29.746 29.700 0.241 0.000 0.750 649 E HN 0.290 nan 8.360 nan 0.000 0.448 650 L N 0.984 122.256 121.223 0.081 0.000 2.013 650 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 650 L C 2.430 179.334 176.870 0.057 0.000 1.073 650 L CA 1.608 56.478 54.840 0.050 0.000 0.753 650 L CB -0.627 41.434 42.059 0.003 0.000 0.890 650 L HN 0.286 nan 8.230 nan 0.000 0.432 651 L N -0.511 120.733 121.223 0.035 0.000 2.072 651 L HA 0.098 4.438 4.340 -0.000 0.000 0.205 651 L C 2.325 179.297 176.870 0.171 0.000 1.079 651 L CA 1.902 56.796 54.840 0.090 0.000 0.752 651 L CB -1.293 40.785 42.059 0.032 0.000 0.906 651 L HN 0.277 nan 8.230 nan 0.000 0.436 652 G N -0.971 107.899 108.800 0.116 0.000 2.440 652 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.218 652 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.218 652 G C 1.435 176.446 174.900 0.185 0.000 1.154 652 G CA 0.823 45.998 45.100 0.126 0.000 0.767 652 G HN 0.474 nan 8.290 nan 0.000 0.552 653 D N 1.031 121.522 120.400 0.152 0.000 2.092 653 D HA -0.122 4.518 4.640 -0.000 0.000 0.193 653 D C 2.840 179.225 176.300 0.141 0.000 0.994 653 D CA 1.396 55.479 54.000 0.138 0.000 0.828 653 D CB -0.246 40.619 40.800 0.107 0.000 0.963 653 D HN 0.226 nan 8.370 nan 0.000 0.450 654 A N 0.381 123.303 122.820 0.171 0.000 1.873 654 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 654 A C 2.253 179.948 177.584 0.186 0.000 1.193 654 A CA 1.565 53.728 52.037 0.209 0.000 0.629 654 A CB -1.305 17.871 19.000 0.294 0.000 0.826 654 A HN 0.417 nan 8.150 nan 0.000 0.447 655 F N -0.014 119.948 119.950 0.020 0.000 2.134 655 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 655 F C 1.864 177.554 175.800 -0.184 0.000 1.097 655 F CA 1.727 59.526 58.000 -0.335 0.000 1.264 655 F CB -0.213 38.560 39.000 -0.379 0.000 1.001 655 F HN 0.212 nan 8.300 nan 0.000 0.479 656 L N 0.994 122.270 121.223 0.088 0.000 2.083 656 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 656 L C 2.417 179.252 176.870 -0.059 0.000 1.083 656 L CA 1.949 56.829 54.840 0.067 0.000 0.752 656 L CB -1.040 41.130 42.059 0.184 0.000 0.899 656 L HN 0.189 nan 8.230 nan 0.000 0.433 657 K N -1.009 119.360 120.400 -0.051 0.000 1.985 657 K HA -0.254 4.066 4.320 -0.000 0.000 0.210 657 K C 2.403 178.918 176.600 -0.141 0.000 1.047 657 K CA 1.953 58.204 56.287 -0.060 0.000 0.932 657 K CB -0.724 31.763 32.500 -0.022 0.000 0.716 657 K HN 0.615 nan 8.250 nan 0.000 0.439 658 C N 0.394 119.551 119.300 -0.239 0.000 2.425 658 C HA -0.047 4.413 4.460 -0.000 0.000 0.277 658 C C 2.933 177.670 174.990 -0.420 0.000 1.280 658 C CA 1.608 60.418 59.018 -0.346 0.000 1.744 658 C CB -0.928 26.562 27.740 -0.417 0.000 1.989 658 C HN 0.623 nan 8.230 nan 0.000 0.491 659 S N -0.196 115.160 115.700 -0.574 0.000 2.355 659 S HA -0.043 4.427 4.470 -0.000 0.000 0.222 659 S C 1.874 176.471 174.600 -0.005 0.000 1.031 659 S CA 1.603 59.563 58.200 -0.399 0.000 0.993 659 S CB -0.438 62.435 63.200 -0.544 0.000 0.859 659 S HN 0.722 nan 8.310 nan 0.000 0.453 660 L N 1.092 122.303 121.223 -0.020 0.000 2.042 660 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 660 L C 2.835 179.733 176.870 0.048 0.000 1.076 660 L CA 1.319 56.189 54.840 0.050 0.000 0.749 660 L CB -0.643 41.419 42.059 0.005 0.000 0.893 660 L HN 0.430 nan 8.230 nan 0.000 0.432 661 A N -0.239 122.567 122.820 -0.024 0.000 1.883 661 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 661 A C 2.272 179.866 177.584 0.017 0.000 1.186 661 A CA 1.818 53.844 52.037 -0.019 0.000 0.624 661 A CB -0.831 18.117 19.000 -0.086 0.000 0.822 661 A HN 0.413 nan 8.150 nan 0.000 0.444 662 L N -1.492 119.706 121.223 -0.041 0.000 1.970 662 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 662 L C 2.619 179.502 176.870 0.022 0.000 1.071 662 L CA 2.364 57.191 54.840 -0.021 0.000 0.751 662 L CB -0.567 41.440 42.059 -0.087 0.000 0.889 662 L HN 0.586 nan 8.230 nan 0.000 0.432 663 H N -0.609 118.472 119.070 0.019 0.000 2.357 663 H HA -0.240 4.316 4.556 -0.000 0.000 0.296 663 H C 2.171 177.498 175.328 -0.003 0.000 1.108 663 H CA 2.242 58.295 56.048 0.008 0.000 1.273 663 H CB -0.147 29.608 29.762 -0.011 0.000 1.367 663 H HN 0.286 nan 8.280 nan 0.000 0.498 664 L N -1.136 120.175 121.223 0.148 0.000 2.072 664 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 664 L C 2.424 179.352 176.870 0.097 0.000 1.079 664 L CA 1.379 56.291 54.840 0.121 0.000 0.752 664 L CB -0.456 41.699 42.059 0.161 0.000 0.906 664 L HN 0.365 nan 8.230 nan 0.000 0.436 665 H N 0.234 119.320 119.070 0.027 0.000 2.394 665 H HA -0.234 4.322 4.556 -0.000 0.000 0.297 665 H C 2.041 177.359 175.328 -0.017 0.000 1.113 665 H CA 1.875 57.933 56.048 0.016 0.000 1.277 665 H CB 0.174 29.946 29.762 0.018 0.000 1.370 665 H HN 0.340 nan 8.280 nan 0.000 0.506 666 A N 0.001 122.825 122.820 0.007 0.000 1.903 666 A HA 0.044 4.364 4.320 -0.000 0.000 0.213 666 A C 2.429 179.899 177.584 -0.191 0.000 1.185 666 A CA 0.939 52.930 52.037 -0.077 0.000 0.628 666 A CB -0.497 18.499 19.000 -0.007 0.000 0.830 666 A HN 0.449 nan 8.150 nan 0.000 0.446 667 L N -0.722 120.358 121.223 -0.239 0.000 2.291 667 L HA -0.045 4.295 4.340 -0.000 0.000 0.214 667 L C 0.380 176.849 176.870 -0.668 0.000 1.120 667 L CA 0.602 55.163 54.840 -0.465 0.000 0.799 667 L CB -0.190 41.515 42.059 -0.590 0.000 0.925 667 L HN 0.417 nan 8.230 nan 0.000 0.446 668 H N -0.862 118.112 119.070 -0.160 0.000 2.379 668 H HA 0.201 4.757 4.556 0.000 0.000 0.229 668 H C -1.695 173.479 175.328 -0.256 0.000 1.423 668 H CA -1.840 54.099 56.048 -0.181 0.000 1.375 668 H CB 0.481 30.180 29.762 -0.106 0.000 1.592 668 H HN 0.021 nan 8.280 nan 0.000 0.507 669 P HA -0.142 nan 4.420 nan 0.000 0.220 669 P C 1.389 178.567 177.300 -0.203 0.000 1.144 669 P CA 1.365 64.214 63.100 -0.418 0.000 0.800 669 P CB 0.126 31.227 31.700 -0.997 0.000 0.772 670 T N -4.520 109.958 114.554 -0.127 0.000 3.054 670 T HA 0.210 4.559 4.350 -0.000 0.000 0.255 670 T C 0.761 175.459 174.700 -0.002 0.000 1.035 670 T CA -0.246 61.841 62.100 -0.022 0.000 0.941 670 T CB -0.386 68.482 68.868 0.001 0.000 1.026 670 T HN -0.077 nan 8.240 nan 0.000 0.533 671 L N 2.904 124.118 121.223 -0.014 0.000 2.399 671 L HA 0.519 4.859 4.340 -0.000 0.000 0.266 671 L C 1.020 177.898 176.870 0.014 0.000 1.114 671 L CA -0.799 54.034 54.840 -0.011 0.000 0.804 671 L CB 1.338 43.373 42.059 -0.040 0.000 1.146 671 L HN 0.339 nan 8.230 nan 0.000 0.451 672 T N -3.134 111.431 114.554 0.018 0.000 2.844 672 T HA 0.193 4.543 4.350 -0.000 0.000 0.274 672 T C 0.849 175.571 174.700 0.037 0.000 0.991 672 T CA -0.677 61.447 62.100 0.040 0.000 0.983 672 T CB 1.503 70.397 68.868 0.044 0.000 1.310 672 T HN 0.669 nan 8.240 nan 0.000 0.596 673 E N 0.437 120.664 120.200 0.045 0.000 2.055 673 E HA -0.222 4.128 4.350 -0.000 0.000 0.209 673 E C 2.172 178.786 176.600 0.023 0.000 1.036 673 E CA 2.046 58.469 56.400 0.038 0.000 0.849 673 E CB -1.092 28.634 29.700 0.044 0.000 0.767 673 E HN 0.800 nan 8.360 nan 0.000 0.461 674 G N 0.509 109.320 108.800 0.018 0.000 2.514 674 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.217 674 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.217 674 G C 1.672 176.570 174.900 -0.004 0.000 1.198 674 G CA 1.692 46.797 45.100 0.007 0.000 0.780 674 G HN 0.486 nan 8.290 nan 0.000 0.565 675 A N 0.553 123.365 122.820 -0.013 0.000 1.865 675 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 675 A C 2.494 180.058 177.584 -0.032 0.000 1.191 675 A CA 1.625 53.641 52.037 -0.036 0.000 0.623 675 A CB -0.581 18.385 19.000 -0.057 0.000 0.826 675 A HN 0.365 nan 8.150 nan 0.000 0.444 676 L N -0.801 120.416 121.223 -0.009 0.000 2.131 676 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 676 L C 2.726 179.604 176.870 0.013 0.000 1.092 676 L CA 1.571 56.420 54.840 0.014 0.000 0.759 676 L CB -0.766 41.322 42.059 0.048 0.000 0.903 676 L HN 0.396 nan 8.230 nan 0.000 0.435 677 T N -0.948 113.610 114.554 0.007 0.000 2.668 677 T HA -0.148 4.202 4.350 -0.000 0.000 0.258 677 T C 2.011 176.709 174.700 -0.003 0.000 1.051 677 T CA 0.949 63.052 62.100 0.004 0.000 1.155 677 T CB -0.136 68.735 68.868 0.005 0.000 0.864 677 T HN 0.155 nan 8.240 nan 0.000 0.413 678 R N 0.443 120.938 120.500 -0.009 0.000 2.154 678 R HA -0.071 4.269 4.340 -0.000 0.000 0.248 678 R C 2.471 178.759 176.300 -0.020 0.000 1.155 678 R CA 1.554 57.645 56.100 -0.015 0.000 0.979 678 R CB -0.361 29.927 30.300 -0.020 0.000 0.869 678 R HN 0.425 nan 8.270 nan 0.000 0.452 679 M N -0.381 119.207 119.600 -0.021 0.000 2.062 679 M HA -0.171 4.309 4.480 -0.000 0.000 0.259 679 M C 2.359 178.654 176.300 -0.009 0.000 1.076 679 M CA 1.904 57.191 55.300 -0.020 0.000 1.122 679 M CB -0.305 32.282 32.600 -0.022 0.000 1.312 679 M HN 0.122 nan 8.290 nan 0.000 0.412 680 R N 0.317 120.818 120.500 0.002 0.000 2.193 680 R HA -0.131 4.209 4.340 -0.000 0.000 0.229 680 R C 1.667 177.962 176.300 -0.009 0.000 1.110 680 R CA 1.293 57.393 56.100 0.001 0.000 0.988 680 R CB -0.586 29.719 30.300 0.008 0.000 0.871 680 R HN 0.508 nan 8.270 nan 0.000 0.458 681 Q N 1.159 120.954 119.800 -0.009 0.000 2.224 681 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 681 Q C 2.112 178.101 176.000 -0.019 0.000 0.970 681 Q CA 1.782 57.578 55.803 -0.011 0.000 0.865 681 Q CB 0.115 28.848 28.738 -0.008 0.000 0.922 681 Q HN 0.617 nan 8.270 nan 0.000 0.445 682 S N -0.508 115.177 115.700 -0.024 0.000 2.461 682 S HA 0.073 4.543 4.470 -0.000 0.000 0.228 682 S C 1.635 176.209 174.600 -0.044 0.000 1.005 682 S CA 0.590 58.771 58.200 -0.032 0.000 0.942 682 S CB 0.273 63.454 63.200 -0.032 0.000 0.776 682 S HN 0.289 nan 8.310 nan 0.000 0.514 683 A N 0.073 122.866 122.820 -0.045 0.000 2.503 683 A HA 0.461 4.781 4.320 -0.000 0.000 0.263 683 A C 1.459 179.002 177.584 -0.069 0.000 1.258 683 A CA -0.118 51.879 52.037 -0.066 0.000 0.936 683 A CB 0.007 18.969 19.000 -0.063 0.000 1.070 683 A HN 0.514 nan 8.150 nan 0.000 0.522 684 E N 0.386 120.559 120.200 -0.045 0.000 2.562 684 E HA 0.040 4.390 4.350 -0.000 0.000 0.214 684 E C 0.140 176.725 176.600 -0.026 0.000 0.979 684 E CA 0.328 56.711 56.400 -0.027 0.000 1.002 684 E CB 0.448 30.145 29.700 -0.004 0.000 1.048 684 E HN 0.586 nan 8.360 nan 0.000 0.488 685 T N -0.996 113.535 114.554 -0.038 0.000 2.919 685 T HA 0.061 4.411 4.350 -0.000 0.000 0.302 685 T C 1.020 175.697 174.700 -0.038 0.000 1.031 685 T CA -0.529 61.554 62.100 -0.029 0.000 1.127 685 T CB 1.422 70.273 68.868 -0.029 0.000 0.952 685 T HN -0.046 nan 8.240 nan 0.000 0.540 686 N N 1.734 120.423 118.700 -0.017 0.000 2.094 686 N HA -0.229 4.511 4.740 -0.000 0.000 0.191 686 N C 1.972 177.471 175.510 -0.019 0.000 1.023 686 N CA 1.997 55.041 53.050 -0.011 0.000 0.857 686 N CB -0.380 38.110 38.487 0.005 0.000 1.013 686 N HN 0.837 nan 8.380 nan 0.000 0.426 687 S N -0.149 115.538 115.700 -0.022 0.000 2.382 687 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 687 S C 2.280 176.845 174.600 -0.059 0.000 1.027 687 S CA 1.277 59.463 58.200 -0.023 0.000 0.991 687 S CB -0.707 62.480 63.200 -0.021 0.000 0.823 687 S HN 0.117 nan 8.310 nan 0.000 0.469 688 V N 2.194 122.058 119.914 -0.084 0.000 2.307 688 V HA -0.063 4.057 4.120 -0.000 0.000 0.245 688 V C 2.587 178.553 176.094 -0.213 0.000 1.045 688 V CA 1.702 63.923 62.300 -0.131 0.000 1.024 688 V CB -0.816 30.933 31.823 -0.124 0.000 0.651 688 V HN 0.457 nan 8.190 nan 0.000 0.449 689 L N 0.291 121.369 121.223 -0.240 0.000 2.093 689 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 689 L C 2.667 179.367 176.870 -0.283 0.000 1.085 689 L CA 1.603 56.186 54.840 -0.427 0.000 0.755 689 L CB -1.228 40.653 42.059 -0.297 0.000 0.904 689 L HN 0.480 nan 8.230 nan 0.000 0.435 690 G N -0.014 108.729 108.800 -0.094 0.000 2.476 690 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 690 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 690 G C 1.717 176.570 174.900 -0.077 0.000 1.164 690 G CA 0.664 45.778 45.100 0.022 0.000 0.768 690 G HN 0.262 nan 8.290 nan 0.000 0.560 691 R N -0.228 120.197 120.500 -0.126 0.000 2.096 691 R HA -0.029 4.311 4.340 -0.000 0.000 0.240 691 R C 2.656 178.842 176.300 -0.191 0.000 1.139 691 R CA 1.308 57.315 56.100 -0.156 0.000 0.952 691 R CB -0.507 29.709 30.300 -0.140 0.000 0.854 691 R HN 0.358 nan 8.270 nan 0.000 0.436 692 L N -0.190 120.882 121.223 -0.252 0.000 2.191 692 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 692 L C 2.090 178.824 176.870 -0.227 0.000 1.103 692 L CA 1.157 55.823 54.840 -0.289 0.000 0.769 692 L CB -0.502 41.253 42.059 -0.507 0.000 0.908 692 L HN 0.256 nan 8.230 nan 0.000 0.438 693 T N -0.844 113.671 114.554 -0.064 0.000 2.951 693 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 693 T C 1.847 176.548 174.700 0.002 0.000 1.073 693 T CA 0.934 63.102 62.100 0.113 0.000 1.134 693 T CB 0.010 69.028 68.868 0.249 0.000 0.884 693 T HN 0.300 nan 8.240 nan 0.000 0.479 694 K N 0.803 121.118 120.400 -0.142 0.000 2.296 694 K HA 0.130 4.450 4.320 -0.000 0.000 0.200 694 K C 2.304 178.844 176.600 -0.100 0.000 1.048 694 K CA 0.472 56.661 56.287 -0.162 0.000 0.966 694 K CB 0.033 32.383 32.500 -0.249 0.000 0.754 694 K HN 0.168 nan 8.250 nan 0.000 0.466 695 R N 0.027 120.432 120.500 -0.157 0.000 2.280 695 R HA 0.016 4.356 4.340 -0.000 0.000 0.207 695 R C 0.016 176.268 176.300 -0.080 0.000 1.043 695 R CA 0.272 56.288 56.100 -0.140 0.000 1.006 695 R CB -0.028 30.161 30.300 -0.185 0.000 0.885 695 R HN -0.008 nan 8.270 nan 0.000 0.467 696 F N 1.858 121.837 119.950 0.049 0.000 2.450 696 F HA 0.169 4.696 4.527 -0.000 0.000 0.339 696 F C -1.444 174.371 175.800 0.025 0.000 1.146 696 F CA -3.117 54.913 58.000 0.050 0.000 1.267 696 F CB -0.237 38.794 39.000 0.052 0.000 1.178 696 F HN -0.173 nan 8.300 nan 0.000 0.585 697 P HA -0.113 nan 4.420 nan 0.000 0.261 697 P C 0.611 177.975 177.300 0.108 0.000 1.158 697 P CA 0.547 63.726 63.100 0.131 0.000 0.758 697 P CB 0.172 31.926 31.700 0.090 0.000 0.763 698 S N 1.578 117.321 115.700 0.070 0.000 2.488 698 S HA -0.158 4.312 4.470 -0.000 0.000 0.246 698 S C 1.509 176.143 174.600 0.056 0.000 0.992 698 S CA 1.365 59.597 58.200 0.053 0.000 0.963 698 S CB -1.179 62.042 63.200 0.034 0.000 0.754 698 S HN 0.284 nan 8.310 nan 0.000 0.519 699 V N 1.096 121.042 119.914 0.054 0.000 2.490 699 V HA -0.113 4.007 4.120 -0.000 0.000 0.250 699 V C 2.536 178.661 176.094 0.052 0.000 1.061 699 V CA 1.421 63.748 62.300 0.044 0.000 1.064 699 V CB -1.017 30.823 31.823 0.028 0.000 0.670 699 V HN 0.500 nan 8.190 nan 0.000 0.461 700 V N -0.109 119.846 119.914 0.067 0.000 2.283 700 V HA -0.194 3.926 4.120 -0.000 0.000 0.243 700 V C 2.592 178.760 176.094 0.123 0.000 1.039 700 V CA 2.206 64.555 62.300 0.082 0.000 1.016 700 V CB -0.737 31.154 31.823 0.113 0.000 0.650 700 V HN 0.535 nan 8.190 nan 0.000 0.449 701 S N -0.491 115.281 115.700 0.120 0.000 2.370 701 S HA -0.254 4.216 4.470 -0.000 0.000 0.226 701 S C 1.946 176.636 174.600 0.150 0.000 1.033 701 S CA 1.739 60.016 58.200 0.129 0.000 1.011 701 S CB -0.325 62.892 63.200 0.028 0.000 0.852 701 S HN 0.657 nan 8.310 nan 0.000 0.457 702 E N 0.303 120.564 120.200 0.101 0.000 2.070 702 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 702 E C 2.089 178.745 176.600 0.095 0.000 1.004 702 E CA 1.415 57.868 56.400 0.088 0.000 0.805 702 E CB -0.191 29.546 29.700 0.062 0.000 0.744 702 E HN 0.279 nan 8.360 nan 0.000 0.451 703 V N 1.200 121.168 119.914 0.090 0.000 2.427 703 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 703 V C 2.173 178.333 176.094 0.110 0.000 1.051 703 V CA 1.315 63.663 62.300 0.079 0.000 1.048 703 V CB -0.341 31.518 31.823 0.059 0.000 0.666 703 V HN 0.258 nan 8.190 nan 0.000 0.456 704 I N -0.123 120.550 120.570 0.171 0.000 2.179 704 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 704 I C 2.211 178.480 176.117 0.254 0.000 1.088 704 I CA 1.876 63.325 61.300 0.250 0.000 1.357 704 I CB -0.332 37.863 38.000 0.324 0.000 1.051 704 I HN 0.219 nan 8.210 nan 0.000 0.409 705 I N 0.313 121.010 120.570 0.213 0.000 2.493 705 I HA -0.222 3.948 4.170 -0.000 0.000 0.254 705 I C 2.412 178.594 176.117 0.108 0.000 1.160 705 I CA 0.961 62.361 61.300 0.166 0.000 1.445 705 I CB -0.306 37.788 38.000 0.158 0.000 1.086 705 I HN 0.201 nan 8.210 nan 0.000 0.433 706 E N 0.934 121.183 120.200 0.082 0.000 2.208 706 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 706 E C 2.161 178.754 176.600 -0.011 0.000 0.988 706 E CA 1.117 57.540 56.400 0.038 0.000 0.828 706 E CB 0.058 29.779 29.700 0.034 0.000 0.763 706 E HN 0.281 nan 8.360 nan 0.000 0.478 707 S N -0.631 115.037 115.700 -0.053 0.000 2.425 707 S HA 0.032 4.502 4.470 -0.000 0.000 0.225 707 S C 0.104 174.459 174.600 -0.408 0.000 1.024 707 S CA 0.223 58.273 58.200 -0.249 0.000 0.951 707 S CB -0.069 62.918 63.200 -0.355 0.000 0.796 707 S HN 0.328 nan 8.310 nan 0.000 0.498 708 H N 1.888 120.951 119.070 -0.011 0.000 2.697 708 H HA 0.307 4.863 4.556 0.000 0.000 0.270 708 H C -2.886 172.437 175.328 -0.007 0.000 1.188 708 H CA -2.253 53.782 56.048 -0.023 0.000 1.322 708 H CB 0.383 30.116 29.762 -0.048 0.000 1.405 708 H HN 0.213 nan 8.280 nan 0.000 0.502 709 P HA -0.048 nan 4.420 nan 0.000 0.265 709 P C -0.052 177.283 177.300 0.059 0.000 1.193 709 P CA -0.066 63.067 63.100 0.054 0.000 0.765 709 P CB 0.983 32.704 31.700 0.035 0.000 0.823 710 K N 1.136 121.567 120.400 0.052 0.000 4.418 710 K HA -0.188 4.132 4.320 -0.000 0.000 0.285 710 K C 0.312 176.935 176.600 0.039 0.000 0.874 710 K CA 0.556 56.869 56.287 0.044 0.000 0.844 710 K CB -1.680 30.841 32.500 0.035 0.000 1.691 710 K HN 0.502 nan 8.250 nan 0.000 0.433 711 I N -2.407 118.187 120.570 0.040 0.000 2.892 711 I HA 0.407 4.577 4.170 -0.000 0.000 0.306 711 I C -0.326 175.810 176.117 0.032 0.000 1.078 711 I CA -0.813 60.490 61.300 0.005 0.000 1.032 711 I CB 1.943 39.906 38.000 -0.062 0.000 1.229 711 I HN 0.116 nan 8.210 nan 0.000 0.435 712 Q N 3.234 123.048 119.800 0.023 0.000 2.301 712 Q HA 0.444 4.783 4.340 -0.000 0.000 0.267 712 Q C -2.035 174.060 176.000 0.157 0.000 1.035 712 Q CA -1.731 54.118 55.803 0.077 0.000 0.856 712 Q CB 1.948 30.714 28.738 0.048 0.000 1.337 712 Q HN 0.449 nan 8.270 nan 0.000 0.450 713 P HA -0.230 nan 4.420 nan 0.000 0.219 713 P C 0.336 177.759 177.300 0.205 0.000 1.145 713 P CA 1.522 64.760 63.100 0.230 0.000 0.813 713 P CB 0.138 31.889 31.700 0.085 0.000 0.771 714 D N -1.929 118.545 120.400 0.123 0.000 2.358 714 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 714 D C 0.305 176.640 176.300 0.058 0.000 1.123 714 D CA -0.121 53.927 54.000 0.080 0.000 0.833 714 D CB -0.116 40.708 40.800 0.040 0.000 0.946 714 D HN -0.011 nan 8.370 nan 0.000 0.505 715 S N 0.339 116.069 115.700 0.049 0.000 2.589 715 S HA 0.050 4.520 4.470 -0.000 0.000 0.265 715 S C 1.313 175.874 174.600 -0.065 0.000 1.342 715 S CA -0.399 57.760 58.200 -0.069 0.000 1.005 715 S CB 1.121 64.177 63.200 -0.240 0.000 0.909 715 S HN 0.152 nan 8.310 nan 0.000 0.555 716 K N 1.731 122.078 120.400 -0.088 0.000 2.296 716 K HA 0.012 4.332 4.320 -0.000 0.000 0.200 716 K C 1.828 178.367 176.600 -0.102 0.000 1.048 716 K CA 0.707 56.959 56.287 -0.057 0.000 0.966 716 K CB -0.294 32.188 32.500 -0.030 0.000 0.754 716 K HN 0.398 nan 8.250 nan 0.000 0.466 717 V N 0.959 120.728 119.914 -0.242 0.000 2.453 717 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 717 V C 1.874 177.806 176.094 -0.270 0.000 1.048 717 V CA 1.491 63.590 62.300 -0.334 0.000 1.049 717 V CB -0.659 30.806 31.823 -0.597 0.000 0.672 717 V HN 0.148 nan 8.190 nan 0.000 0.457 718 Y N 1.614 121.867 120.300 -0.079 0.000 2.145 718 Y HA -0.094 4.456 4.550 -0.000 0.000 0.286 718 Y C 2.630 178.525 175.900 -0.009 0.000 1.145 718 Y CA 1.219 59.301 58.100 -0.030 0.000 1.148 718 Y CB -1.520 36.934 38.460 -0.009 0.000 0.981 718 Y HN 0.240 nan 8.280 nan 0.000 0.507 719 G N -0.117 108.758 108.800 0.124 0.000 2.476 719 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 719 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 719 G C 1.280 176.227 174.900 0.078 0.000 1.164 719 G CA 1.514 46.659 45.100 0.076 0.000 0.768 719 G HN 0.306 nan 8.290 nan 0.000 0.560 720 D N 0.106 120.494 120.400 -0.020 0.000 2.183 720 D HA -0.066 4.574 4.640 -0.000 0.000 0.203 720 D C 2.972 179.129 176.300 -0.239 0.000 0.969 720 D CA 1.633 55.576 54.000 -0.094 0.000 0.842 720 D CB -0.545 40.190 40.800 -0.109 0.000 0.957 720 D HN 0.471 nan 8.370 nan 0.000 0.484 721 T N -1.471 112.907 114.554 -0.294 0.000 2.915 721 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 721 T C 1.978 176.670 174.700 -0.015 0.000 1.071 721 T CA 0.381 62.322 62.100 -0.265 0.000 1.132 721 T CB -0.680 68.088 68.868 -0.166 0.000 0.878 721 T HN 0.092 nan 8.240 nan 0.000 0.479 722 F N 2.359 122.305 119.950 -0.006 0.000 2.075 722 F HA -0.018 4.509 4.527 0.000 0.000 0.297 722 F C 2.409 178.247 175.800 0.063 0.000 1.113 722 F CA 1.705 59.756 58.000 0.085 0.000 1.218 722 F CB -0.234 38.824 39.000 0.096 0.000 0.984 722 F HN 0.153 nan 8.300 nan 0.000 0.472 723 E N 0.373 120.739 120.200 0.278 0.000 2.070 723 E HA -0.291 4.059 4.350 -0.000 0.000 0.197 723 E C 2.352 178.965 176.600 0.021 0.000 1.004 723 E CA 1.243 57.744 56.400 0.167 0.000 0.805 723 E CB -0.549 29.242 29.700 0.151 0.000 0.744 723 E HN 0.535 nan 8.360 nan 0.000 0.451 724 A N 1.124 123.928 122.820 -0.027 0.000 1.908 724 A HA -0.199 4.120 4.320 -0.000 0.000 0.218 724 A C 2.198 179.717 177.584 -0.109 0.000 1.181 724 A CA 1.265 53.278 52.037 -0.041 0.000 0.627 724 A CB -0.613 18.344 19.000 -0.072 0.000 0.818 724 A HN 0.164 nan 8.150 nan 0.000 0.445 725 I N -0.982 119.475 120.570 -0.188 0.000 2.252 725 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 725 I C 2.406 178.282 176.117 -0.403 0.000 1.102 725 I CA 1.114 62.230 61.300 -0.307 0.000 1.385 725 I CB -0.229 37.559 38.000 -0.353 0.000 1.064 725 I HN 0.400 nan 8.210 nan 0.000 0.414 726 L N 1.237 122.224 121.223 -0.393 0.000 2.042 726 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 726 L C 2.521 179.210 176.870 -0.302 0.000 1.076 726 L CA 2.202 56.836 54.840 -0.344 0.000 0.749 726 L CB -0.768 41.229 42.059 -0.103 0.000 0.893 726 L HN 0.195 nan 8.230 nan 0.000 0.432 727 A N -0.618 122.089 122.820 -0.189 0.000 1.898 727 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 727 A C 2.470 179.966 177.584 -0.147 0.000 1.181 727 A CA 1.681 53.636 52.037 -0.136 0.000 0.620 727 A CB -1.146 17.844 19.000 -0.017 0.000 0.819 727 A HN 0.579 nan 8.150 nan 0.000 0.442 728 A N 0.148 122.861 122.820 -0.179 0.000 1.883 728 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 728 A C 2.123 179.548 177.584 -0.264 0.000 1.186 728 A CA 1.686 53.593 52.037 -0.217 0.000 0.624 728 A CB -0.653 18.200 19.000 -0.244 0.000 0.822 728 A HN 0.515 nan 8.150 nan 0.000 0.444 729 I N -0.811 119.557 120.570 -0.337 0.000 2.179 729 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 729 I C 2.463 178.419 176.117 -0.269 0.000 1.088 729 I CA 1.382 62.475 61.300 -0.346 0.000 1.357 729 I CB -0.359 37.341 38.000 -0.500 0.000 1.051 729 I HN 0.457 nan 8.210 nan 0.000 0.409 730 L N 0.831 121.857 121.223 -0.329 0.000 2.012 730 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 730 L C 2.251 179.085 176.870 -0.059 0.000 1.073 730 L CA 1.927 56.563 54.840 -0.340 0.000 0.748 730 L CB -0.517 41.165 42.059 -0.629 0.000 0.891 730 L HN 0.140 nan 8.230 nan 0.000 0.431 731 L N -0.768 120.464 121.223 0.016 0.000 2.156 731 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 731 L C 2.476 179.527 176.870 0.303 0.000 1.095 731 L CA 1.027 55.999 54.840 0.220 0.000 0.770 731 L CB -0.577 41.592 42.059 0.183 0.000 0.914 731 L HN 0.439 nan 8.230 nan 0.000 0.439 732 A N -2.174 120.714 122.820 0.112 0.000 2.063 732 A HA -0.035 4.285 4.320 -0.000 0.000 0.211 732 A C 1.922 179.644 177.584 0.228 0.000 1.177 732 A CA 0.652 52.827 52.037 0.230 0.000 0.759 732 A CB -0.257 18.651 19.000 -0.153 0.000 0.857 732 A HN 0.511 nan 8.150 nan 0.000 0.468 733 C N -1.855 117.439 119.300 -0.009 0.000 3.580 733 C HA 0.583 5.043 4.460 -0.000 0.000 0.337 733 C C 1.293 176.062 174.990 -0.368 0.000 1.412 733 C CA -0.138 58.725 59.018 -0.257 0.000 1.797 733 C CB -0.502 27.128 27.740 -0.183 0.000 2.470 733 C HN 1.112 nan 8.230 nan 0.000 0.691 734 G N 1.314 110.076 108.800 -0.063 0.000 2.592 734 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.684 734 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.684 734 G C 0.008 174.904 174.900 -0.007 0.000 1.291 734 G CA 0.014 45.164 45.100 0.085 0.000 0.891 734 G HN 0.327 nan 8.290 nan 0.000 0.544 735 E N 0.261 120.503 120.200 0.070 0.000 2.106 735 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 735 E C 2.320 179.004 176.600 0.141 0.000 0.984 735 E CA 1.604 58.049 56.400 0.075 0.000 0.806 735 E CB -0.023 29.769 29.700 0.152 0.000 0.750 735 E HN 0.770 nan 8.360 nan 0.000 0.458 736 E N 1.139 121.403 120.200 0.106 0.000 2.112 736 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 736 E C 2.083 178.748 176.600 0.110 0.000 0.979 736 E CA 0.830 57.299 56.400 0.116 0.000 0.814 736 E CB -0.116 29.636 29.700 0.087 0.000 0.762 736 E HN 0.154 nan 8.360 nan 0.000 0.460 737 A N 1.910 124.759 122.820 0.049 0.000 1.877 737 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 737 A C 2.565 180.192 177.584 0.072 0.000 1.186 737 A CA 1.994 54.052 52.037 0.035 0.000 0.620 737 A CB -1.017 17.954 19.000 -0.048 0.000 0.822 737 A HN 0.436 nan 8.150 nan 0.000 0.443 738 A N -0.673 122.145 122.820 -0.004 0.000 1.933 738 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 738 A C 2.363 180.137 177.584 0.317 0.000 1.175 738 A CA 1.927 53.945 52.037 -0.032 0.000 0.628 738 A CB -1.265 17.417 19.000 -0.529 0.000 0.814 738 A HN 0.755 nan 8.150 nan 0.000 0.444 739 G N -0.880 108.173 108.800 0.423 0.000 2.448 739 G HA2 0.123 4.083 3.960 -0.000 0.000 0.218 739 G HA3 0.123 4.083 3.960 -0.000 0.000 0.218 739 G C 1.651 176.772 174.900 0.369 0.000 1.135 739 G CA 1.184 46.573 45.100 0.482 0.000 0.784 739 G HN 0.727 nan 8.290 nan 0.000 0.543 740 A N 0.731 123.720 122.820 0.283 0.000 1.877 740 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 740 A C 2.127 179.849 177.584 0.230 0.000 1.186 740 A CA 1.467 53.637 52.037 0.222 0.000 0.620 740 A CB -0.624 18.486 19.000 0.183 0.000 0.822 740 A HN 0.379 nan 8.150 nan 0.000 0.443 741 F N 0.566 120.596 119.950 0.133 0.000 2.202 741 F HA -0.154 4.373 4.527 -0.000 0.000 0.301 741 F C 2.168 178.092 175.800 0.206 0.000 1.082 741 F CA 1.709 59.807 58.000 0.163 0.000 1.313 741 F CB -0.132 38.887 39.000 0.033 0.000 1.024 741 F HN 0.034 nan 8.300 nan 0.000 0.495 742 V N 1.642 121.681 119.914 0.209 0.000 2.307 742 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 742 V C 2.611 178.617 176.094 -0.146 0.000 1.045 742 V CA 2.269 64.613 62.300 0.074 0.000 1.024 742 V CB -0.728 31.188 31.823 0.154 0.000 0.651 742 V HN 0.429 nan 8.190 nan 0.000 0.449 743 R N 0.026 120.364 120.500 -0.270 0.000 2.115 743 R HA -0.113 4.227 4.340 -0.000 0.000 0.226 743 R C 1.927 178.108 176.300 -0.199 0.000 1.100 743 R CA 1.558 57.425 56.100 -0.388 0.000 0.980 743 R CB -0.358 29.697 30.300 -0.408 0.000 0.875 743 R HN 0.373 nan 8.270 nan 0.000 0.445 744 E N 0.106 120.230 120.200 -0.127 0.000 2.216 744 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 744 E C 1.403 177.751 176.600 -0.420 0.000 0.988 744 E CA 1.018 57.291 56.400 -0.210 0.000 0.834 744 E CB 0.118 29.744 29.700 -0.124 0.000 0.772 744 E HN 0.641 nan 8.360 nan 0.000 0.479 745 H N -1.672 117.218 119.070 -0.300 0.000 2.657 745 H HA 0.169 4.725 4.556 -0.000 0.000 0.262 745 H C 1.991 177.171 175.328 -0.247 0.000 0.965 745 H CA 0.391 56.252 56.048 -0.312 0.000 1.184 745 H CB 0.863 30.323 29.762 -0.503 0.000 1.443 745 H HN -0.068 nan 8.280 nan 0.000 0.462 746 V N 1.387 121.249 119.914 -0.088 0.000 2.575 746 V HA -0.091 4.029 4.120 -0.000 0.000 0.242 746 V C 2.535 178.559 176.094 -0.116 0.000 1.045 746 V CA 0.644 62.880 62.300 -0.106 0.000 1.065 746 V CB -0.189 31.616 31.823 -0.030 0.000 0.717 746 V HN 0.164 nan 8.190 nan 0.000 0.467 747 L N 0.693 121.836 121.223 -0.133 0.000 2.042 747 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 747 L C -0.274 176.537 176.870 -0.098 0.000 1.076 747 L CA 2.003 56.769 54.840 -0.124 0.000 0.749 747 L CB -1.043 40.907 42.059 -0.182 0.000 0.893 747 L HN 0.347 nan 8.230 nan 0.000 0.432 748 P HA -0.145 nan 4.420 nan 0.000 0.228 748 P C 0.807 178.054 177.300 -0.087 0.000 1.151 748 P CA 0.890 63.931 63.100 -0.098 0.000 0.770 748 P CB 0.028 31.654 31.700 -0.123 0.000 0.786 749 Q N -1.058 118.684 119.800 -0.096 0.000 2.403 749 Q HA 0.088 4.428 4.340 -0.000 0.000 0.203 749 Q C 0.568 176.527 176.000 -0.069 0.000 0.932 749 Q CA -0.017 55.731 55.803 -0.092 0.000 0.945 749 Q CB -0.313 28.354 28.738 -0.119 0.000 1.045 749 Q HN 0.170 nan 8.270 nan 0.000 0.511 750 V N 1.718 121.601 119.914 -0.053 0.000 2.479 750 V HA 0.058 4.178 4.120 -0.000 0.000 0.281 750 V C -0.165 175.912 176.094 -0.029 0.000 1.031 750 V CA -0.179 62.101 62.300 -0.033 0.000 1.038 750 V CB 1.092 32.911 31.823 -0.006 0.000 0.981 750 V HN 0.037 nan 8.190 nan 0.000 0.478 751 V N 8.906 128.800 119.914 -0.034 0.000 2.408 751 V HA 0.672 4.792 4.120 -0.000 0.000 0.267 751 V C 0.856 176.927 176.094 -0.038 0.000 1.047 751 V CA -0.174 62.105 62.300 -0.035 0.000 0.937 751 V CB 0.872 32.673 31.823 -0.037 0.000 0.999 751 V HN 1.277 nan 8.190 nan 0.000 0.472 752 A N 4.814 127.611 122.820 -0.039 0.000 2.561 752 A HA 0.045 4.365 4.320 -0.000 0.000 0.234 752 A C 1.175 178.723 177.584 -0.060 0.000 1.055 752 A CA 0.494 52.497 52.037 -0.058 0.000 0.756 752 A CB -0.018 18.953 19.000 -0.049 0.000 0.986 752 A HN 0.977 nan 8.150 nan 0.000 0.505 753 D N 0.987 121.340 120.400 -0.078 0.000 2.269 753 D HA 0.093 4.733 4.640 -0.000 0.000 0.208 753 D C 1.324 177.594 176.300 -0.050 0.000 0.963 753 D CA 1.281 55.243 54.000 -0.063 0.000 0.864 753 D CB -0.194 40.562 40.800 -0.074 0.000 0.936 753 D HN 0.774 nan 8.370 nan 0.000 0.505 754 A N 0.000 122.789 122.820 -0.052 0.000 2.254 754 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 754 A CA 0.000 52.014 52.037 -0.039 0.000 0.836 754 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 754 A HN 0.000 nan 8.150 nan 0.000 0.486