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 2wrd_1_B DATA FIRST_RESID 5 DATA SEQUENCE DQIcIGYHAN NSTEKVDTIL ERNVTVTHAK DILEKTHNGK LcKLNGIPPL DATA SEQUENCE ELGDcSIAGW LLGNPEcDRL LSVPEWSYIM EKENPRDGLc YPGSFNDYEE DATA SEQUENCE LKHLLSSVKH FEKVKILPKD RWTQHTTTGG SRAcAVSGNP SFFRNMVWLT DATA SEQUENCE KKGSNYPVAK GSYNNTSGEQ MLIIWGVHHP IDEKEQRTLY QNVGTYVSVG DATA SEQUENCE TSTLNKRSTP EIATRPKVNG LGSRMEFSWT LLDMWDTINF ESTGNLIAPE DATA SEQUENCE YGFKISKRGS SGIMKTEGTL ENcETKcQTP LGAINTTLPF HNVHPLTIGE DATA SEQUENCE cPKYVKSEKL VLATGLRNVP QXXXXGLFGA IAGFIEGGWQ GMVDGWYGYH DATA SEQUENCE HSNDQGSGYA ADKESTQKAF DGITNKVNSV IEKMNTQFEA VGKEFSNLER DATA SEQUENCE RLENLNKKME DGFLDVWTYN AELLVLMENE RTLDFHDSNV KNLYDKVRMQ DATA SEQUENCE LRDNVKELGN GcFEFYHKcD DEcMNSVKNG TYDYPKYEEE 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.418 176.300 0.196 0.000 2.045 5 D CA 0.000 54.029 54.000 0.048 0.000 0.868 5 D CB 0.000 40.772 40.800 -0.047 0.000 0.688 6 Q N -0.141 119.886 119.800 0.378 0.000 3.277 6 Q HA 0.333 4.674 4.340 0.001 0.000 0.166 6 Q C -2.234 173.974 176.000 0.348 0.000 0.995 6 Q CA -0.481 55.528 55.803 0.343 0.000 1.203 6 Q CB 0.059 28.879 28.738 0.136 0.000 1.880 6 Q HN 0.566 nan 8.270 nan 0.000 0.587 7 I N 1.877 122.672 120.570 0.375 0.000 2.982 7 I HA 0.873 5.043 4.170 0.001 0.000 0.312 7 I C -1.042 175.334 176.117 0.432 0.000 1.041 7 I CA -1.066 60.485 61.300 0.418 0.000 1.053 7 I CB 1.957 40.235 38.000 0.464 0.000 1.248 7 I HN 0.927 nan 8.210 nan 0.000 0.471 8 c N 4.537 123.456 118.600 0.531 0.000 2.752 8 c HA 0.483 5.054 4.570 0.001 0.000 0.360 8 c C -0.700 173.822 174.090 0.720 0.000 1.081 8 c CA -0.580 56.102 56.329 0.588 0.000 1.272 8 c CB 1.123 43.976 42.510 0.571 0.000 1.754 8 c HN 0.424 nan 8.230 nan 0.000 0.483 9 I N 3.150 124.074 120.570 0.590 0.000 2.392 9 I HA 0.791 4.962 4.170 0.001 0.000 0.295 9 I C 0.762 176.957 176.117 0.129 0.000 0.985 9 I CA 0.900 62.424 61.300 0.374 0.000 1.221 9 I CB 1.526 39.714 38.000 0.313 0.000 1.366 9 I HN 0.836 nan 8.210 nan 0.000 0.467 10 G N 4.116 112.784 108.800 -0.219 0.000 2.682 10 G HA2 0.629 4.590 3.960 0.001 0.000 0.303 10 G HA3 0.629 4.590 3.960 0.001 0.000 0.303 10 G C -1.829 172.757 174.900 -0.523 0.000 1.341 10 G CA -0.529 43.940 45.100 -1.051 0.000 0.784 10 G HN 0.461 nan 8.290 nan 0.000 0.497 11 Y N -2.033 117.872 120.300 -0.658 0.000 2.665 11 Y HA 0.814 5.363 4.550 -0.000 0.000 0.336 11 Y C 0.039 175.844 175.900 -0.158 0.000 1.085 11 Y CA -1.461 56.505 58.100 -0.223 0.000 1.096 11 Y CB 0.790 39.177 38.460 -0.121 0.000 1.301 11 Y HN 0.803 nan 8.280 nan 0.000 0.493 12 H N 0.768 119.887 119.070 0.082 0.000 2.603 12 H HA 0.742 5.299 4.556 0.002 0.000 0.370 12 H C -0.986 174.386 175.328 0.075 0.000 1.225 12 H CA 0.324 56.416 56.048 0.073 0.000 1.410 12 H CB 0.957 30.825 29.762 0.176 0.000 1.495 12 H HN 1.034 nan 8.280 nan 0.000 0.602 13 A N 2.880 125.267 122.820 -0.721 0.000 2.608 13 A HA 0.515 4.836 4.320 0.001 0.000 0.292 13 A C -1.371 175.900 177.584 -0.521 0.000 1.066 13 A CA -0.338 51.456 52.037 -0.404 0.000 0.676 13 A CB 1.380 20.255 19.000 -0.210 0.000 1.277 13 A HN 1.083 nan 8.150 nan 0.000 0.413 14 N N -0.676 117.915 118.700 -0.182 0.000 3.378 14 N HA 0.199 4.940 4.740 0.001 0.000 0.294 14 N C -0.307 175.185 175.510 -0.031 0.000 1.544 14 N CA -0.103 52.897 53.050 -0.084 0.000 0.872 14 N CB 0.009 38.529 38.487 0.055 0.000 1.670 14 N HN 0.405 nan 8.380 nan 0.000 0.551 15 N N -1.069 117.623 118.700 -0.014 0.000 2.521 15 N HA -0.013 4.728 4.740 0.001 0.000 0.188 15 N C -0.260 175.242 175.510 -0.014 0.000 1.146 15 N CA 0.018 53.061 53.050 -0.013 0.000 0.893 15 N CB -0.316 38.166 38.487 -0.008 0.000 0.975 15 N HN 0.494 nan 8.380 nan 0.000 0.451 16 S N 0.598 116.289 115.700 -0.015 0.000 2.531 16 S HA 0.195 4.666 4.470 0.001 0.000 0.279 16 S C 0.691 175.285 174.600 -0.011 0.000 1.305 16 S CA -0.337 57.850 58.200 -0.021 0.000 1.058 16 S CB 0.308 63.487 63.200 -0.035 0.000 0.899 16 S HN 0.453 nan 8.310 nan 0.000 0.493 17 T N 1.562 116.110 114.554 -0.010 0.000 3.228 17 T HA 0.337 4.688 4.350 0.001 0.000 0.278 17 T C 0.079 174.777 174.700 -0.005 0.000 1.014 17 T CA -0.479 61.617 62.100 -0.007 0.000 0.904 17 T CB -0.146 68.718 68.868 -0.007 0.000 1.110 17 T HN 0.648 nan 8.240 nan 0.000 0.541 18 E N 2.374 122.572 120.200 -0.004 0.000 2.290 18 E HA 0.228 4.579 4.350 0.001 0.000 0.277 18 E C -0.361 176.241 176.600 0.004 0.000 1.035 18 E CA -0.474 55.927 56.400 0.001 0.000 0.873 18 E CB 0.440 30.142 29.700 0.004 0.000 1.029 18 E HN 0.093 nan 8.360 nan 0.000 0.419 19 K N 2.955 123.356 120.400 0.001 0.000 2.182 19 K HA 0.372 4.693 4.320 0.001 0.000 0.262 19 K C -0.437 176.163 176.600 -0.001 0.000 0.957 19 K CA -0.742 55.544 56.287 -0.001 0.000 0.842 19 K CB 1.531 34.028 32.500 -0.006 0.000 1.099 19 K HN 0.381 nan 8.250 nan 0.000 0.438 20 V N -1.702 118.211 119.914 -0.002 0.000 3.046 20 V HA 0.592 4.712 4.120 0.001 0.000 0.316 20 V C -0.560 175.526 176.094 -0.013 0.000 1.104 20 V CA -0.993 61.304 62.300 -0.005 0.000 1.006 20 V CB 2.227 34.052 31.823 0.003 0.000 1.058 20 V HN 0.539 nan 8.190 nan 0.000 0.440 21 D N 1.376 121.764 120.400 -0.020 0.000 2.269 21 D HA 0.702 5.342 4.640 0.001 0.000 0.244 21 D C 0.080 176.362 176.300 -0.028 0.000 0.992 21 D CA 0.049 54.033 54.000 -0.026 0.000 0.894 21 D CB 2.259 43.039 40.800 -0.034 0.000 1.248 21 D HN 1.053 nan 8.370 nan 0.000 0.468 22 T N -2.453 112.083 114.554 -0.030 0.000 2.807 22 T HA 0.358 4.709 4.350 0.001 0.000 0.277 22 T C 1.468 176.145 174.700 -0.039 0.000 1.006 22 T CA -0.721 61.360 62.100 -0.033 0.000 1.006 22 T CB 0.744 69.596 68.868 -0.027 0.000 1.274 22 T HN 0.114 nan 8.240 nan 0.000 0.569 23 I N 0.233 120.778 120.570 -0.041 0.000 2.361 23 I HA -0.041 4.129 4.170 0.001 0.000 0.251 23 I C 2.024 178.119 176.117 -0.037 0.000 1.133 23 I CA 1.435 62.709 61.300 -0.044 0.000 1.413 23 I CB -0.962 37.013 38.000 -0.043 0.000 1.073 23 I HN 0.594 nan 8.210 nan 0.000 0.424 24 L N -0.596 120.607 121.223 -0.033 0.000 2.470 24 L HA 0.116 4.457 4.340 0.001 0.000 0.219 24 L C 0.493 177.346 176.870 -0.029 0.000 1.071 24 L CA 0.304 55.125 54.840 -0.031 0.000 0.850 24 L CB 0.166 42.206 42.059 -0.031 0.000 1.040 24 L HN 0.198 nan 8.230 nan 0.000 0.475 25 E N 0.498 120.681 120.200 -0.028 0.000 2.392 25 E HA 0.571 4.922 4.350 0.001 0.000 0.269 25 E C -1.034 175.550 176.600 -0.026 0.000 0.924 25 E CA -0.948 55.436 56.400 -0.026 0.000 0.784 25 E CB 2.007 31.691 29.700 -0.026 0.000 1.292 25 E HN 0.039 nan 8.360 nan 0.000 0.447 26 R N 0.351 120.837 120.500 -0.023 0.000 2.836 26 R HA 0.487 4.827 4.340 0.001 0.000 0.269 26 R C -0.637 175.651 176.300 -0.019 0.000 1.010 26 R CA -1.135 54.952 56.100 -0.022 0.000 0.930 26 R CB 0.557 30.843 30.300 -0.023 0.000 1.218 26 R HN 0.499 nan 8.270 nan 0.000 0.473 27 N N -0.631 118.058 118.700 -0.018 0.000 2.727 27 N HA -0.123 4.618 4.740 0.001 0.000 0.251 27 N C -1.157 174.345 175.510 -0.014 0.000 1.040 27 N CA 0.568 53.610 53.050 -0.014 0.000 0.712 27 N CB -1.044 37.435 38.487 -0.014 0.000 0.912 27 N HN 0.432 nan 8.380 nan 0.000 0.545 28 V N 1.153 121.059 119.914 -0.014 0.000 2.318 28 V HA 0.177 4.298 4.120 0.001 0.000 0.271 28 V C 0.762 176.851 176.094 -0.009 0.000 1.030 28 V CA -0.502 61.789 62.300 -0.014 0.000 0.844 28 V CB 1.304 33.116 31.823 -0.018 0.000 1.015 28 V HN 0.268 nan 8.190 nan 0.000 0.460 29 T N 5.425 119.974 114.554 -0.009 0.000 2.871 29 T HA 0.289 4.639 4.350 0.001 0.000 0.296 29 T C 0.064 174.764 174.700 0.001 0.000 0.998 29 T CA 0.063 62.161 62.100 -0.003 0.000 1.162 29 T CB 0.563 69.428 68.868 -0.004 0.000 0.947 29 T HN 0.696 nan 8.240 nan 0.000 0.536 30 V N 0.813 120.735 119.914 0.013 0.000 2.769 30 V HA 0.617 4.738 4.120 0.001 0.000 0.312 30 V C 1.362 177.497 176.094 0.069 0.000 1.061 30 V CA -0.482 61.835 62.300 0.028 0.000 0.931 30 V CB 1.358 33.202 31.823 0.034 0.000 1.010 30 V HN 0.867 nan 8.190 nan 0.000 0.433 31 T N 0.145 114.778 114.554 0.132 0.000 2.803 31 T HA -0.067 4.283 4.350 0.001 0.000 0.269 31 T C 0.592 175.422 174.700 0.217 0.000 1.052 31 T CA 1.823 64.095 62.100 0.287 0.000 1.136 31 T CB -0.525 68.694 68.868 0.586 0.000 0.864 31 T HN 0.913 nan 8.240 nan 0.000 0.467 32 H N -0.309 118.837 119.070 0.126 0.000 3.016 32 H HA 0.830 5.384 4.556 -0.003 0.000 0.362 32 H C -0.489 174.904 175.328 0.109 0.000 1.233 32 H CA -0.358 55.783 56.048 0.154 0.000 1.124 32 H CB 1.958 31.883 29.762 0.272 0.000 1.850 32 H HN 0.499 nan 8.280 nan 0.000 0.549 33 A N 1.194 124.134 122.820 0.200 0.000 2.599 33 A HA 0.730 5.051 4.320 0.001 0.000 0.290 33 A C -1.637 176.013 177.584 0.110 0.000 1.101 33 A CA -0.723 51.389 52.037 0.125 0.000 0.674 33 A CB 2.008 21.051 19.000 0.073 0.000 1.277 33 A HN 0.367 nan 8.150 nan 0.000 0.419 34 K N 1.599 122.047 120.400 0.081 0.000 2.687 34 K HA 0.215 4.536 4.320 0.001 0.000 0.249 34 K C -1.895 174.736 176.600 0.050 0.000 0.994 34 K CA -0.380 55.947 56.287 0.067 0.000 0.913 34 K CB 1.552 34.093 32.500 0.068 0.000 1.202 34 K HN 0.900 nan 8.250 nan 0.000 0.460 35 D N 3.752 124.178 120.400 0.043 0.000 2.389 35 D HA 0.088 4.729 4.640 0.001 0.000 0.247 35 D C 1.075 177.404 176.300 0.049 0.000 1.128 35 D CA -0.219 53.804 54.000 0.039 0.000 0.884 35 D CB 0.818 41.636 40.800 0.031 0.000 1.194 35 D HN 0.617 nan 8.370 nan 0.000 0.441 36 I N 1.236 121.844 120.570 0.063 0.000 3.927 36 I HA 0.279 4.450 4.170 0.001 0.000 0.332 36 I C -0.579 175.620 176.117 0.137 0.000 1.485 36 I CA -0.487 60.870 61.300 0.095 0.000 1.131 36 I CB 0.325 38.400 38.000 0.126 0.000 1.092 36 I HN 0.039 nan 8.210 nan 0.000 0.410 37 L N 2.325 123.605 121.223 0.095 0.000 2.276 37 L HA 0.487 4.828 4.340 0.001 0.000 0.286 37 L C 0.040 176.964 176.870 0.090 0.000 1.024 37 L CA -0.242 54.658 54.840 0.100 0.000 0.826 37 L CB 1.033 43.113 42.059 0.035 0.000 1.211 37 L HN 0.132 nan 8.230 nan 0.000 0.422 38 E N 4.367 124.638 120.200 0.119 0.000 2.220 38 E HA 0.103 4.453 4.350 0.001 0.000 0.272 38 E C -0.151 176.534 176.600 0.142 0.000 1.099 38 E CA 0.414 56.881 56.400 0.111 0.000 0.907 38 E CB 0.381 30.147 29.700 0.109 0.000 1.022 38 E HN 0.618 nan 8.360 nan 0.000 0.428 39 K N 1.860 122.323 120.400 0.105 0.000 2.506 39 K HA 0.221 4.542 4.320 0.001 0.000 0.204 39 K C -0.562 176.113 176.600 0.126 0.000 1.045 39 K CA -0.427 55.935 56.287 0.125 0.000 1.074 39 K CB 0.543 33.094 32.500 0.085 0.000 0.842 39 K HN 0.316 nan 8.250 nan 0.000 0.514 40 T N 1.012 115.620 114.554 0.092 0.000 2.824 40 T HA 0.356 4.707 4.350 0.001 0.000 0.282 40 T C -0.625 174.104 174.700 0.049 0.000 0.993 40 T CA -0.875 61.242 62.100 0.027 0.000 0.967 40 T CB 0.950 69.798 68.868 -0.034 0.000 0.960 40 T HN 0.399 nan 8.240 nan 0.000 0.441 41 H N 0.667 119.742 119.070 0.009 0.000 2.649 41 H HA 0.704 5.262 4.556 0.002 0.000 0.337 41 H C 0.380 175.700 175.328 -0.013 0.000 1.282 41 H CA -1.159 54.881 56.048 -0.013 0.000 1.333 41 H CB 0.649 30.402 29.762 -0.014 0.000 1.787 41 H HN 0.469 nan 8.280 nan 0.000 0.632 42 N N -0.816 117.915 118.700 0.051 0.000 2.328 42 N HA 0.145 4.886 4.740 0.001 0.000 0.247 42 N C 1.007 176.558 175.510 0.068 0.000 1.165 42 N CA -0.096 52.949 53.050 -0.010 0.000 0.873 42 N CB 0.247 38.729 38.487 -0.007 0.000 1.125 42 N HN 1.144 nan 8.380 nan 0.000 0.513 43 G N 0.042 109.002 108.800 0.268 0.000 2.230 43 G HA2 -0.375 3.586 3.960 0.001 0.000 0.270 43 G HA3 -0.375 3.586 3.960 0.001 0.000 0.270 43 G C -0.187 174.767 174.900 0.089 0.000 0.987 43 G CA 0.986 46.217 45.100 0.220 0.000 0.664 43 G HN 0.550 nan 8.290 nan 0.000 0.539 44 K N -0.600 119.838 120.400 0.064 0.000 2.208 44 K HA 0.727 5.048 4.320 0.001 0.000 0.247 44 K C 0.059 176.669 176.600 0.017 0.000 0.953 44 K CA -0.923 55.380 56.287 0.027 0.000 0.837 44 K CB 1.769 34.280 32.500 0.019 0.000 1.131 44 K HN 0.099 nan 8.250 nan 0.000 0.431 45 L N 2.095 123.327 121.223 0.015 0.000 2.295 45 L HA 0.478 4.818 4.340 0.001 0.000 0.285 45 L C -0.524 176.379 176.870 0.055 0.000 1.035 45 L CA -0.820 54.045 54.840 0.041 0.000 0.806 45 L CB 1.182 43.265 42.059 0.040 0.000 1.214 45 L HN 0.694 nan 8.230 nan 0.000 0.426 46 c N 0.961 119.620 118.600 0.100 0.000 3.108 46 c HA 0.448 5.018 4.570 0.001 0.000 0.321 46 c C 0.175 174.347 174.090 0.137 0.000 1.357 46 c CA -1.338 55.039 56.329 0.080 0.000 1.562 46 c CB 2.172 44.708 42.510 0.043 0.000 2.003 46 c HN 0.709 nan 8.230 nan 0.000 0.460 47 K N 0.330 120.786 120.400 0.093 0.000 2.230 47 K HA 0.396 4.717 4.320 0.001 0.000 0.253 47 K C -0.974 175.711 176.600 0.141 0.000 1.008 47 K CA -0.206 56.151 56.287 0.116 0.000 0.910 47 K CB 0.252 32.794 32.500 0.070 0.000 0.994 47 K HN 0.371 nan 8.250 nan 0.000 0.495 48 L N 2.456 123.786 121.223 0.178 0.000 2.377 48 L HA 0.209 4.550 4.340 0.001 0.000 0.270 48 L C -0.866 176.078 176.870 0.123 0.000 0.991 48 L CA 0.207 55.130 54.840 0.139 0.000 0.851 48 L CB 0.211 42.381 42.059 0.184 0.000 1.218 48 L HN 0.752 nan 8.230 nan 0.000 0.420 49 N N 3.912 122.660 118.700 0.080 0.000 2.725 49 N HA -0.188 4.553 4.740 0.001 0.000 0.249 49 N C 0.845 176.390 175.510 0.059 0.000 1.103 49 N CA 1.006 54.099 53.050 0.070 0.000 0.707 49 N CB -1.004 37.542 38.487 0.097 0.000 1.043 49 N HN 1.210 nan 8.380 nan 0.000 0.553 50 G N -1.379 107.454 108.800 0.056 0.000 2.176 50 G HA2 -0.260 3.700 3.960 0.001 0.000 0.232 50 G HA3 -0.260 3.700 3.960 0.001 0.000 0.232 50 G C -0.019 174.911 174.900 0.051 0.000 0.986 50 G CA 0.229 45.355 45.100 0.045 0.000 0.643 50 G HN 0.428 nan 8.290 nan 0.000 0.522 51 I N 2.207 122.820 120.570 0.072 0.000 2.498 51 I HA 0.357 4.528 4.170 0.001 0.000 0.290 51 I C -2.093 174.082 176.117 0.097 0.000 1.032 51 I CA -2.512 58.834 61.300 0.076 0.000 1.073 51 I CB 2.644 40.687 38.000 0.071 0.000 1.251 51 I HN -0.130 nan 8.210 nan 0.000 0.426 52 P HA 0.262 nan 4.420 nan 0.000 0.273 52 P C -2.772 174.510 177.300 -0.030 0.000 1.250 52 P CA -1.536 61.577 63.100 0.022 0.000 0.793 52 P CB -0.201 31.500 31.700 0.002 0.000 1.011 53 P HA 0.226 nan 4.420 nan 0.000 0.282 53 P C -0.574 176.464 177.300 -0.437 0.000 1.259 53 P CA -0.568 62.165 63.100 -0.612 0.000 0.826 53 P CB 0.311 31.302 31.700 -1.182 0.000 1.064 54 L N 1.784 122.640 121.223 -0.613 0.000 2.360 54 L HA 0.187 4.528 4.340 0.001 0.000 0.276 54 L C 0.033 176.464 176.870 -0.732 0.000 1.121 54 L CA 0.577 54.890 54.840 -0.878 0.000 0.845 54 L CB -0.694 40.284 42.059 -1.802 0.000 1.143 54 L HN 0.311 nan 8.230 nan 0.000 0.452 55 E N 5.888 125.736 120.200 -0.586 0.000 2.063 55 E HA 0.168 4.519 4.350 0.001 0.000 0.265 55 E C 0.308 176.625 176.600 -0.471 0.000 0.919 55 E CA -0.182 55.948 56.400 -0.449 0.000 0.756 55 E CB 0.872 30.386 29.700 -0.309 0.000 1.120 55 E HN 0.735 nan 8.360 nan 0.000 0.414 56 L N 2.522 123.463 121.223 -0.471 0.000 2.592 56 L HA 0.123 4.464 4.340 0.001 0.000 0.227 56 L C 1.305 178.006 176.870 -0.282 0.000 1.127 56 L CA 0.236 54.799 54.840 -0.461 0.000 0.884 56 L CB -0.564 41.211 42.059 -0.475 0.000 1.065 56 L HN 0.768 nan 8.230 nan 0.000 0.457 57 G N 2.310 110.974 108.800 -0.227 0.000 2.614 57 G HA2 -0.390 3.571 3.960 0.001 0.000 0.303 57 G HA3 -0.390 3.571 3.960 0.001 0.000 0.303 57 G C 0.120 174.942 174.900 -0.129 0.000 1.270 57 G CA 0.544 45.552 45.100 -0.153 0.000 0.988 57 G HN 0.570 nan 8.290 nan 0.000 0.551 58 D N 0.096 120.440 120.400 -0.094 0.000 3.139 58 D HA 0.435 5.076 4.640 0.001 0.000 0.268 58 D C -0.065 176.199 176.300 -0.061 0.000 1.322 58 D CA -0.394 53.563 54.000 -0.073 0.000 0.940 58 D CB -0.358 40.412 40.800 -0.050 0.000 1.050 58 D HN 0.510 nan 8.370 nan 0.000 0.503 59 c N 0.973 119.523 118.600 -0.084 0.000 2.417 59 c HA 0.665 5.235 4.570 0.001 0.000 0.324 59 c C 0.656 174.714 174.090 -0.053 0.000 1.240 59 c CA -0.744 55.555 56.329 -0.050 0.000 1.632 59 c CB 0.998 43.483 42.510 -0.042 0.000 2.241 59 c HN 0.595 nan 8.230 nan 0.000 0.499 60 S N 2.896 118.595 115.700 -0.001 0.000 2.593 60 S HA 0.318 4.788 4.470 0.001 0.000 0.269 60 S C 0.964 175.594 174.600 0.050 0.000 1.334 60 S CA -0.364 57.850 58.200 0.024 0.000 1.015 60 S CB 0.294 63.530 63.200 0.060 0.000 0.912 60 S HN 0.632 nan 8.310 nan 0.000 0.541 61 I N 1.487 122.090 120.570 0.055 0.000 2.657 61 I HA -0.178 3.992 4.170 0.001 0.000 0.261 61 I C 2.572 178.746 176.117 0.096 0.000 1.212 61 I CA 1.282 62.637 61.300 0.091 0.000 1.453 61 I CB -0.771 37.222 38.000 -0.011 0.000 1.092 61 I HN 0.866 nan 8.210 nan 0.000 0.452 62 A N 0.726 123.567 122.820 0.035 0.000 1.874 62 A HA -0.010 4.311 4.320 0.001 0.000 0.214 62 A C 2.454 180.042 177.584 0.007 0.000 1.189 62 A CA 1.480 53.451 52.037 -0.110 0.000 0.615 62 A CB -1.176 17.650 19.000 -0.290 0.000 0.830 62 A HN 0.408 nan 8.150 nan 0.000 0.443 63 G N -1.491 107.346 108.800 0.062 0.000 2.408 63 G HA2 -0.248 3.713 3.960 0.001 0.000 0.217 63 G HA3 -0.248 3.713 3.960 0.001 0.000 0.217 63 G C 1.375 176.359 174.900 0.139 0.000 1.150 63 G CA 1.090 46.253 45.100 0.105 0.000 0.776 63 G HN 0.655 nan 8.290 nan 0.000 0.542 64 W N 1.281 122.543 121.300 -0.063 0.000 2.354 64 W HA 0.040 4.701 4.660 0.002 0.000 0.315 64 W C 2.258 178.754 176.519 -0.039 0.000 1.206 64 W CA 1.219 58.517 57.345 -0.078 0.000 1.290 64 W CB -0.610 28.755 29.460 -0.158 0.000 1.152 64 W HN 0.130 nan 8.180 nan 0.000 0.489 65 L N 0.058 121.136 121.223 -0.243 0.000 1.988 65 L HA -0.231 4.109 4.340 0.001 0.000 0.207 65 L C 2.684 179.498 176.870 -0.094 0.000 1.071 65 L CA 1.438 56.035 54.840 -0.406 0.000 0.744 65 L CB -1.249 40.632 42.059 -0.298 0.000 0.893 65 L HN -0.038 nan 8.230 nan 0.000 0.433 66 L N 0.032 121.214 121.223 -0.068 0.000 2.263 66 L HA -0.136 4.204 4.340 0.001 0.000 0.216 66 L C 1.082 177.991 176.870 0.065 0.000 1.111 66 L CA 0.856 55.621 54.840 -0.124 0.000 0.773 66 L CB -0.894 40.918 42.059 -0.412 0.000 0.906 66 L HN 0.639 nan 8.230 nan 0.000 0.439 67 G N 1.014 109.851 108.800 0.062 0.000 2.326 67 G HA2 -0.280 3.681 3.960 0.001 0.000 0.286 67 G HA3 -0.280 3.681 3.960 0.001 0.000 0.286 67 G C 0.060 175.013 174.900 0.089 0.000 1.096 67 G CA 0.064 45.205 45.100 0.068 0.000 1.003 67 G HN 0.394 nan 8.290 nan 0.000 0.503 68 N N 0.782 119.536 118.700 0.089 0.000 2.356 68 N HA 0.064 4.804 4.740 0.001 0.000 0.252 68 N C -0.046 175.430 175.510 -0.057 0.000 1.241 68 N CA -0.778 52.234 53.050 -0.063 0.000 0.861 68 N CB 1.060 39.537 38.487 -0.016 0.000 1.075 68 N HN 0.206 nan 8.380 nan 0.000 0.461 69 P HA -0.106 nan 4.420 nan 0.000 0.225 69 P C 0.477 177.762 177.300 -0.024 0.000 1.148 69 P CA 0.998 64.070 63.100 -0.047 0.000 0.779 69 P CB 0.400 32.066 31.700 -0.056 0.000 0.780 70 E N -1.046 119.134 120.200 -0.034 0.000 2.502 70 E HA -0.007 4.343 4.350 0.001 0.000 0.194 70 E C 0.780 177.381 176.600 0.002 0.000 1.062 70 E CA 0.346 56.736 56.400 -0.017 0.000 0.867 70 E CB -0.867 28.819 29.700 -0.024 0.000 0.888 70 E HN 0.147 nan 8.360 nan 0.000 0.510 71 c N 0.013 118.626 118.600 0.023 0.000 3.336 71 c HA 0.184 4.755 4.570 0.001 0.000 0.291 71 c C 1.497 175.632 174.090 0.075 0.000 1.363 71 c CA -0.699 55.666 56.329 0.059 0.000 1.737 71 c CB -0.155 42.426 42.510 0.118 0.000 2.274 71 c HN 0.389 nan 8.230 nan 0.000 0.663 72 D N 2.538 122.966 120.400 0.047 0.000 2.191 72 D HA -0.176 4.464 4.640 0.001 0.000 0.190 72 D C 1.384 177.714 176.300 0.050 0.000 1.007 72 D CA 1.356 55.382 54.000 0.044 0.000 0.865 72 D CB -0.169 40.646 40.800 0.025 0.000 0.929 72 D HN 0.643 nan 8.370 nan 0.000 0.447 73 R N 0.485 121.005 120.500 0.033 0.000 3.256 73 R HA 0.435 4.775 4.340 0.001 0.000 0.263 73 R C -0.250 176.055 176.300 0.008 0.000 1.388 73 R CA -0.246 55.868 56.100 0.023 0.000 1.580 73 R CB 0.274 30.580 30.300 0.009 0.000 1.255 73 R HN 0.084 nan 8.270 nan 0.000 0.640 74 L N 1.663 122.902 121.223 0.026 0.000 2.334 74 L HA 0.329 4.669 4.340 0.001 0.000 0.270 74 L C 1.661 178.513 176.870 -0.031 0.000 1.018 74 L CA -1.000 53.820 54.840 -0.032 0.000 0.811 74 L CB 1.845 43.867 42.059 -0.061 0.000 1.271 74 L HN 0.347 nan 8.230 nan 0.000 0.443 75 L N 0.552 121.716 121.223 -0.099 0.000 1.963 75 L HA -0.215 4.126 4.340 0.001 0.000 0.220 75 L C 0.802 177.661 176.870 -0.019 0.000 1.076 75 L CA 1.177 55.971 54.840 -0.076 0.000 0.772 75 L CB -0.267 41.713 42.059 -0.132 0.000 0.892 75 L HN 0.814 nan 8.230 nan 0.000 0.435 76 S N -0.980 114.688 115.700 -0.054 0.000 3.432 76 S HA -0.085 4.386 4.470 0.001 0.000 0.521 76 S C -0.363 174.329 174.600 0.154 0.000 0.696 76 S CA 0.259 58.529 58.200 0.117 0.000 1.382 76 S CB -0.655 62.704 63.200 0.265 0.000 0.981 76 S HN 0.378 nan 8.310 nan 0.000 0.813 77 V N 3.059 123.079 119.914 0.177 0.000 2.850 77 V HA 0.874 4.995 4.120 0.001 0.000 0.315 77 V C -1.342 174.977 176.094 0.375 0.000 1.064 77 V CA -1.413 61.023 62.300 0.227 0.000 0.979 77 V CB 1.854 33.781 31.823 0.173 0.000 1.039 77 V HN 0.440 nan 8.190 nan 0.000 0.452 78 P HA 0.168 nan 4.420 nan 0.000 0.249 78 P C -0.004 177.428 177.300 0.220 0.000 1.229 78 P CA 0.676 63.951 63.100 0.291 0.000 0.788 78 P CB 0.384 32.258 31.700 0.291 0.000 1.072 79 E N -0.091 120.227 120.200 0.196 0.000 2.406 79 E HA 0.358 4.708 4.350 0.001 0.000 0.297 79 E C -1.738 174.925 176.600 0.106 0.000 0.917 79 E CA -0.880 55.526 56.400 0.011 0.000 0.795 79 E CB 1.028 30.745 29.700 0.029 0.000 1.285 79 E HN 0.019 nan 8.360 nan 0.000 0.400 80 W N 2.904 124.179 121.300 -0.042 0.000 3.017 80 W HA 0.653 5.314 4.660 0.000 0.000 0.341 80 W C 0.200 176.689 176.519 -0.050 0.000 1.180 80 W CA -0.219 57.073 57.345 -0.088 0.000 1.097 80 W CB 0.644 29.992 29.460 -0.187 0.000 1.468 80 W HN 0.303 nan 8.180 nan 0.000 0.584 81 S N -0.914 114.946 115.700 0.266 0.000 2.575 81 S HA 0.331 4.802 4.470 0.001 0.000 0.230 81 S C -0.117 174.745 174.600 0.438 0.000 1.062 81 S CA 0.461 58.816 58.200 0.259 0.000 0.913 81 S CB -0.447 62.931 63.200 0.296 0.000 0.837 81 S HN 0.857 nan 8.310 nan 0.000 0.487 82 Y N -0.808 119.617 120.300 0.210 0.000 2.896 82 Y HA 0.823 5.374 4.550 0.001 0.000 0.317 82 Y C -1.263 174.650 175.900 0.021 0.000 1.444 82 Y CA -1.851 56.325 58.100 0.128 0.000 1.084 82 Y CB 0.880 39.364 38.460 0.040 0.000 1.382 82 Y HN -0.007 nan 8.280 nan 0.000 0.471 83 I N 2.390 122.906 120.570 -0.089 0.000 2.533 83 I HA 0.367 4.537 4.170 0.001 0.000 0.290 83 I C -1.080 174.861 176.117 -0.293 0.000 1.056 83 I CA -1.001 60.072 61.300 -0.379 0.000 1.057 83 I CB 2.207 39.999 38.000 -0.347 0.000 1.240 83 I HN 0.543 nan 8.210 nan 0.000 0.423 84 M N 5.742 125.103 119.600 -0.399 0.000 2.088 84 M HA 0.421 4.902 4.480 0.001 0.000 0.346 84 M C -0.567 175.578 176.300 -0.259 0.000 1.111 84 M CA -0.240 54.902 55.300 -0.264 0.000 1.017 84 M CB 1.301 33.740 32.600 -0.269 0.000 1.568 84 M HN 0.477 nan 8.290 nan 0.000 0.445 85 E N 2.178 122.269 120.200 -0.183 0.000 2.299 85 E HA 0.464 4.814 4.350 0.001 0.000 0.265 85 E C -0.963 175.568 176.600 -0.114 0.000 0.911 85 E CA -0.880 55.423 56.400 -0.162 0.000 0.789 85 E CB 2.697 32.311 29.700 -0.143 0.000 1.246 85 E HN 0.497 nan 8.360 nan 0.000 0.427 86 K N 1.098 121.440 120.400 -0.097 0.000 2.126 86 K HA 0.106 4.427 4.320 0.001 0.000 0.257 86 K C -0.256 176.314 176.600 -0.051 0.000 1.007 86 K CA -0.357 55.889 56.287 -0.069 0.000 0.928 86 K CB 0.683 33.147 32.500 -0.060 0.000 1.013 86 K HN 0.313 nan 8.250 nan 0.000 0.473 87 E N 2.564 122.742 120.200 -0.037 0.000 2.081 87 E HA -0.030 4.320 4.350 0.001 0.000 0.270 87 E C -1.253 175.339 176.600 -0.013 0.000 1.180 87 E CA 0.182 56.569 56.400 -0.022 0.000 0.926 87 E CB -0.455 29.236 29.700 -0.014 0.000 1.035 87 E HN 0.449 nan 8.360 nan 0.000 0.418 88 N N 4.148 122.843 118.700 -0.007 0.000 2.846 88 N HA -0.100 4.641 4.740 0.001 0.000 0.262 88 N C -2.362 173.144 175.510 -0.006 0.000 1.137 88 N CA 0.415 53.466 53.050 0.002 0.000 0.666 88 N CB -1.023 37.468 38.487 0.005 0.000 0.945 88 N HN 0.451 nan 8.380 nan 0.000 0.567 89 P HA -0.043 nan 4.420 nan 0.000 0.230 89 P C 1.223 178.516 177.300 -0.012 0.000 1.158 89 P CA 0.502 63.590 63.100 -0.020 0.000 0.769 89 P CB 0.380 32.065 31.700 -0.025 0.000 0.807 90 R N -0.853 119.647 120.500 -0.000 0.000 2.198 90 R HA -0.154 4.187 4.340 0.001 0.000 0.155 90 R C -0.741 175.562 176.300 0.004 0.000 0.877 90 R CA 2.018 58.118 56.100 0.001 0.000 1.870 90 R CB -2.256 28.040 30.300 -0.007 0.000 0.812 90 R HN 0.197 nan 8.270 nan 0.000 0.662 91 D N 0.815 121.215 120.400 0.001 0.000 2.500 91 D HA 0.427 5.068 4.640 0.001 0.000 0.219 91 D C 0.576 176.889 176.300 0.022 0.000 1.137 91 D CA 0.840 54.844 54.000 0.006 0.000 0.946 91 D CB 0.778 41.576 40.800 -0.003 0.000 1.022 91 D HN 0.508 nan 8.370 nan 0.000 0.518 92 G N 0.752 109.572 108.800 0.034 0.000 2.930 92 G HA2 0.257 4.217 3.960 0.001 0.000 0.209 92 G HA3 0.257 4.217 3.960 0.001 0.000 0.209 92 G C 0.062 175.019 174.900 0.095 0.000 2.018 92 G CA -0.335 44.794 45.100 0.048 0.000 0.751 92 G HN 0.339 nan 8.290 nan 0.000 0.770 93 L N 2.591 123.886 121.223 0.120 0.000 2.352 93 L HA 0.176 4.517 4.340 0.001 0.000 0.272 93 L C 1.877 178.878 176.870 0.218 0.000 1.109 93 L CA -0.808 54.178 54.840 0.245 0.000 0.952 93 L CB 0.882 43.083 42.059 0.236 0.000 1.314 93 L HN 0.698 nan 8.230 nan 0.000 0.427 94 c N 1.303 119.973 118.600 0.117 0.000 2.413 94 c HA -0.202 4.368 4.570 0.001 0.000 0.277 94 c C 1.210 175.347 174.090 0.079 0.000 1.265 94 c CA 0.056 56.388 56.329 0.004 0.000 1.752 94 c CB -1.001 41.420 42.510 -0.149 0.000 1.998 94 c HN 0.614 nan 8.230 nan 0.000 0.489 95 Y N 4.773 125.132 120.300 0.098 0.000 2.404 95 Y HA 0.422 4.973 4.550 0.001 0.000 0.344 95 Y C -1.897 174.160 175.900 0.261 0.000 0.995 95 Y CA -2.783 55.452 58.100 0.225 0.000 1.201 95 Y CB 0.631 39.314 38.460 0.371 0.000 1.151 95 Y HN 0.250 nan 8.280 nan 0.000 0.517 96 P HA 0.150 nan 4.420 nan 0.000 0.266 96 P C -0.154 177.306 177.300 0.268 0.000 1.195 96 P CA 0.702 63.892 63.100 0.150 0.000 0.768 96 P CB 1.584 33.297 31.700 0.021 0.000 0.838 97 G N 1.139 110.069 108.800 0.217 0.000 3.074 97 G HA2 0.516 4.476 3.960 0.001 0.000 0.127 97 G HA3 0.516 4.476 3.960 0.001 0.000 0.127 97 G C -0.894 174.097 174.900 0.151 0.000 1.216 97 G CA 0.407 45.627 45.100 0.201 0.000 1.390 97 G HN 0.901 nan 8.290 nan 0.000 0.676 98 S N -1.604 114.196 115.700 0.167 0.000 2.686 98 S HA 0.594 5.064 4.470 0.001 0.000 0.273 98 S C -2.089 172.628 174.600 0.194 0.000 1.060 98 S CA -0.561 57.728 58.200 0.148 0.000 0.845 98 S CB 1.172 64.437 63.200 0.109 0.000 1.086 98 S HN 1.565 nan 8.310 nan 0.000 0.461 99 F N 1.913 121.876 119.950 0.022 0.000 2.831 99 F HA 0.447 4.975 4.527 0.001 0.000 0.346 99 F C -0.458 175.406 175.800 0.106 0.000 1.224 99 F CA -0.666 57.351 58.000 0.029 0.000 1.048 99 F CB 1.323 40.193 39.000 -0.217 0.000 1.339 99 F HN 0.721 nan 8.300 nan 0.000 0.514 100 N N 4.523 123.434 118.700 0.352 0.000 2.479 100 N HA 0.026 4.767 4.740 0.001 0.000 0.257 100 N C -0.293 175.487 175.510 0.450 0.000 1.232 100 N CA 0.699 53.918 53.050 0.281 0.000 0.920 100 N CB 0.459 38.996 38.487 0.083 0.000 1.105 100 N HN 0.654 nan 8.380 nan 0.000 0.444 101 D N 0.415 121.019 120.400 0.340 0.000 2.686 101 D HA -0.249 4.392 4.640 0.001 0.000 0.235 101 D C 0.605 177.261 176.300 0.594 0.000 1.160 101 D CA 0.535 54.779 54.000 0.408 0.000 0.645 101 D CB -0.861 40.126 40.800 0.311 0.000 1.039 101 D HN 0.586 nan 8.370 nan 0.000 0.423 102 Y N 0.710 121.165 120.300 0.260 0.000 2.220 102 Y HA -0.101 4.449 4.550 0.001 0.000 0.291 102 Y C 2.056 177.942 175.900 -0.023 0.000 1.129 102 Y CA 1.916 60.041 58.100 0.041 0.000 1.161 102 Y CB 0.065 38.507 38.460 -0.031 0.000 0.997 102 Y HN -0.025 nan 8.280 nan 0.000 0.522 103 E N 0.229 120.397 120.200 -0.053 0.000 2.110 103 E HA -0.168 4.182 4.350 0.001 0.000 0.193 103 E C 2.124 178.654 176.600 -0.118 0.000 0.988 103 E CA 1.427 57.708 56.400 -0.199 0.000 0.804 103 E CB -0.150 29.492 29.700 -0.096 0.000 0.745 103 E HN 0.410 nan 8.360 nan 0.000 0.458 104 E N 0.157 120.392 120.200 0.060 0.000 2.051 104 E HA -0.167 4.184 4.350 0.001 0.000 0.192 104 E C 2.135 178.789 176.600 0.090 0.000 0.991 104 E CA 0.604 57.103 56.400 0.166 0.000 0.799 104 E CB -0.345 29.568 29.700 0.356 0.000 0.748 104 E HN 0.188 nan 8.360 nan 0.000 0.449 105 L N 1.914 123.102 121.223 -0.060 0.000 2.042 105 L HA -0.210 4.130 4.340 0.001 0.000 0.210 105 L C 2.017 178.650 176.870 -0.395 0.000 1.076 105 L CA 1.870 56.354 54.840 -0.594 0.000 0.749 105 L CB -0.253 41.242 42.059 -0.940 0.000 0.893 105 L HN -0.029 nan 8.230 nan 0.000 0.432 106 K N -1.513 118.666 120.400 -0.368 0.000 2.057 106 K HA -0.226 4.095 4.320 0.001 0.000 0.207 106 K C 2.196 178.699 176.600 -0.162 0.000 1.049 106 K CA 1.530 57.621 56.287 -0.326 0.000 0.931 106 K CB -0.658 31.565 32.500 -0.462 0.000 0.714 106 K HN 0.572 nan 8.250 nan 0.000 0.440 107 H N 1.091 120.047 119.070 -0.190 0.000 2.387 107 H HA -0.110 4.446 4.556 0.001 0.000 0.299 107 H C 2.155 177.438 175.328 -0.076 0.000 1.090 107 H CA 1.165 57.146 56.048 -0.113 0.000 1.332 107 H CB 0.186 29.896 29.762 -0.087 0.000 1.386 107 H HN 0.053 nan 8.280 nan 0.000 0.516 108 L N 0.663 121.833 121.223 -0.089 0.000 2.046 108 L HA -0.135 4.206 4.340 0.001 0.000 0.208 108 L C 1.851 178.637 176.870 -0.140 0.000 1.077 108 L CA 1.195 55.965 54.840 -0.117 0.000 0.747 108 L CB -0.547 41.448 42.059 -0.107 0.000 0.896 108 L HN 0.187 nan 8.230 nan 0.000 0.432 109 L N -0.457 120.689 121.223 -0.128 0.000 2.591 109 L HA 0.084 4.425 4.340 0.001 0.000 0.228 109 L C 2.574 179.519 176.870 0.125 0.000 1.133 109 L CA 1.342 56.169 54.840 -0.022 0.000 0.880 109 L CB -1.123 40.910 42.059 -0.044 0.000 1.033 109 L HN 0.538 nan 8.230 nan 0.000 0.450 110 S N -2.588 113.108 115.700 -0.008 0.000 2.399 110 S HA -0.040 4.431 4.470 0.001 0.000 0.231 110 S C 1.083 175.807 174.600 0.207 0.000 1.022 110 S CA 0.736 58.977 58.200 0.068 0.000 0.983 110 S CB -0.131 63.036 63.200 -0.055 0.000 0.803 110 S HN 0.354 nan 8.310 nan 0.000 0.480 111 S N -0.654 115.035 115.700 -0.020 0.000 2.572 111 S HA 0.666 5.137 4.470 0.001 0.000 0.274 111 S C -1.427 172.913 174.600 -0.434 0.000 1.150 111 S CA -0.580 57.506 58.200 -0.191 0.000 0.944 111 S CB 1.855 64.990 63.200 -0.107 0.000 1.071 111 S HN 0.264 nan 8.310 nan 0.000 0.479 112 V N 5.471 124.926 119.914 -0.764 0.000 2.932 112 V HA 0.504 4.624 4.120 0.001 0.000 0.307 112 V C 0.701 176.493 176.094 -0.503 0.000 1.147 112 V CA -0.748 61.130 62.300 -0.703 0.000 0.951 112 V CB 2.198 33.342 31.823 -1.133 0.000 1.031 112 V HN 0.994 nan 8.190 nan 0.000 0.426 113 K N 2.071 122.317 120.400 -0.256 0.000 2.128 113 K HA 0.136 4.457 4.320 0.001 0.000 0.202 113 K C 0.409 177.004 176.600 -0.008 0.000 1.050 113 K CA 0.687 56.900 56.287 -0.124 0.000 0.966 113 K CB 0.235 32.696 32.500 -0.065 0.000 0.759 113 K HN 0.800 nan 8.250 nan 0.000 0.454 114 H N -1.541 117.468 119.070 -0.103 0.000 2.954 114 H HA 0.204 4.760 4.556 0.001 0.000 0.361 114 H C -2.210 173.166 175.328 0.080 0.000 1.122 114 H CA -0.698 55.341 56.048 -0.015 0.000 1.217 114 H CB 1.397 31.160 29.762 0.001 0.000 1.776 114 H HN 0.018 nan 8.280 nan 0.000 0.533 115 F N 4.704 124.286 119.950 -0.614 0.000 2.828 115 F HA 0.264 4.792 4.527 0.001 0.000 0.355 115 F C -1.358 174.279 175.800 -0.272 0.000 1.200 115 F CA -0.367 57.434 58.000 -0.332 0.000 1.062 115 F CB 1.123 40.063 39.000 -0.099 0.000 1.351 115 F HN 0.558 nan 8.300 nan 0.000 0.504 116 E N 5.717 125.534 120.200 -0.638 0.000 2.210 116 E HA 0.245 4.596 4.350 0.001 0.000 0.266 116 E C -1.151 175.252 176.600 -0.328 0.000 0.883 116 E CA -0.948 55.236 56.400 -0.359 0.000 0.761 116 E CB 1.500 31.086 29.700 -0.190 0.000 1.156 116 E HN 0.518 nan 8.360 nan 0.000 0.412 117 K N 3.359 123.632 120.400 -0.211 0.000 2.298 117 K HA 0.284 4.605 4.320 0.001 0.000 0.280 117 K C -1.205 175.268 176.600 -0.211 0.000 1.032 117 K CA -0.311 55.788 56.287 -0.314 0.000 0.958 117 K CB 1.248 33.587 32.500 -0.268 0.000 0.978 117 K HN 0.325 nan 8.250 nan 0.000 0.472 118 V N 4.443 124.226 119.914 -0.218 0.000 2.733 118 V HA 0.296 4.417 4.120 0.001 0.000 0.306 118 V C -1.193 174.876 176.094 -0.043 0.000 1.084 118 V CA -0.981 61.278 62.300 -0.068 0.000 0.905 118 V CB 1.708 33.474 31.823 -0.096 0.000 1.010 118 V HN 0.888 nan 8.190 nan 0.000 0.424 119 K N 5.952 126.344 120.400 -0.013 0.000 2.383 119 K HA 0.355 4.676 4.320 0.001 0.000 0.286 119 K C 0.557 176.951 176.600 -0.343 0.000 1.051 119 K CA 0.387 56.450 56.287 -0.374 0.000 0.974 119 K CB 0.715 32.999 32.500 -0.359 0.000 0.968 119 K HN 0.833 nan 8.250 nan 0.000 0.475 120 I N 1.446 121.755 120.570 -0.436 0.000 4.124 120 I HA 0.156 4.327 4.170 0.001 0.000 0.311 120 I C -0.042 175.915 176.117 -0.266 0.000 1.259 120 I CA -0.373 60.640 61.300 -0.478 0.000 1.315 120 I CB 0.391 37.879 38.000 -0.854 0.000 1.223 120 I HN 0.351 nan 8.210 nan 0.000 0.441 121 L N 3.633 124.702 121.223 -0.257 0.000 2.488 121 L HA 0.545 4.885 4.340 0.001 0.000 0.250 121 L C -2.611 174.122 176.870 -0.229 0.000 1.280 121 L CA -1.561 53.152 54.840 -0.213 0.000 0.929 121 L CB 0.911 42.892 42.059 -0.130 0.000 1.200 121 L HN -0.121 nan 8.230 nan 0.000 0.495 122 P HA -0.008 nan 4.420 nan 0.000 0.264 122 P C 0.674 177.902 177.300 -0.120 0.000 1.193 122 P CA 0.111 63.094 63.100 -0.194 0.000 0.763 122 P CB 0.919 32.524 31.700 -0.159 0.000 0.810 123 K N 2.547 122.934 120.400 -0.023 0.000 2.089 123 K HA -0.250 4.071 4.320 0.001 0.000 0.210 123 K C 0.960 177.621 176.600 0.103 0.000 1.048 123 K CA 1.883 58.243 56.287 0.121 0.000 0.926 123 K CB -0.209 32.350 32.500 0.099 0.000 0.714 123 K HN 0.450 nan 8.250 nan 0.000 0.448 124 D N 0.147 120.557 120.400 0.015 0.000 2.133 124 D HA -0.194 4.446 4.640 0.001 0.000 0.195 124 D C 1.708 178.006 176.300 -0.004 0.000 0.997 124 D CA 1.349 55.353 54.000 0.007 0.000 0.840 124 D CB -0.251 40.536 40.800 -0.022 0.000 0.947 124 D HN 0.273 nan 8.370 nan 0.000 0.452 125 R N -0.622 119.820 120.500 -0.097 0.000 2.307 125 R HA 0.006 4.347 4.340 0.001 0.000 0.199 125 R C 0.685 176.886 176.300 -0.165 0.000 1.000 125 R CA 0.029 56.028 56.100 -0.168 0.000 1.023 125 R CB -0.196 29.941 30.300 -0.270 0.000 0.908 125 R HN 0.271 nan 8.270 nan 0.000 0.473 126 W N 2.719 124.012 121.300 -0.012 0.000 2.564 126 W HA 0.015 4.676 4.660 0.001 0.000 0.447 126 W C 0.607 177.152 176.519 0.043 0.000 0.701 126 W CA -0.371 56.988 57.345 0.023 0.000 2.223 126 W CB -0.329 29.125 29.460 -0.011 0.000 0.990 126 W HN -0.039 nan 8.180 nan 0.000 0.698 127 T N -2.025 112.631 114.554 0.170 0.000 2.937 127 T HA -0.037 4.314 4.350 0.001 0.000 0.316 127 T C 0.853 175.593 174.700 0.067 0.000 1.079 127 T CA 0.543 62.692 62.100 0.082 0.000 1.131 127 T CB 1.229 70.109 68.868 0.020 0.000 1.000 127 T HN 0.551 nan 8.240 nan 0.000 0.549 128 Q N -0.499 119.261 119.800 -0.067 0.000 2.676 128 Q HA -0.158 4.183 4.340 0.001 0.000 0.154 128 Q C -0.233 175.419 176.000 -0.581 0.000 0.594 128 Q CA 1.488 57.114 55.803 -0.294 0.000 1.222 128 Q CB -1.122 27.405 28.738 -0.352 0.000 1.001 128 Q HN 0.967 nan 8.270 nan 0.000 1.091 129 H N -0.735 118.276 119.070 -0.099 0.000 2.865 129 H HA 0.415 4.971 4.556 0.001 0.000 0.372 129 H C -0.388 174.852 175.328 -0.146 0.000 1.173 129 H CA -0.451 55.468 56.048 -0.215 0.000 1.147 129 H CB 1.796 31.332 29.762 -0.376 0.000 1.805 129 H HN -0.115 nan 8.280 nan 0.000 0.553 130 T N 0.726 115.249 114.554 -0.052 0.000 2.910 130 T HA 0.156 4.506 4.350 0.001 0.000 0.293 130 T C 0.909 175.535 174.700 -0.123 0.000 1.015 130 T CA 0.062 62.104 62.100 -0.096 0.000 1.094 130 T CB 0.983 69.760 68.868 -0.152 0.000 0.968 130 T HN 0.599 nan 8.240 nan 0.000 0.521 131 T N 0.489 114.982 114.554 -0.100 0.000 2.986 131 T HA 0.061 4.411 4.350 0.001 0.000 0.264 131 T C 2.017 176.666 174.700 -0.085 0.000 0.964 131 T CA 0.246 62.301 62.100 -0.074 0.000 0.895 131 T CB 0.170 69.050 68.868 0.020 0.000 1.163 131 T HN 0.777 nan 8.240 nan 0.000 0.517 132 T N -0.312 114.171 114.554 -0.118 0.000 3.129 132 T HA 0.283 4.633 4.350 0.001 0.000 0.251 132 T C 1.321 175.915 174.700 -0.177 0.000 1.117 132 T CA 0.108 62.147 62.100 -0.101 0.000 1.034 132 T CB -0.353 68.466 68.868 -0.081 0.000 0.968 132 T HN 0.281 nan 8.240 nan 0.000 0.526 133 G N 0.246 108.847 108.800 -0.333 0.000 2.238 133 G HA2 0.414 4.375 3.960 0.001 0.000 0.234 133 G HA3 0.414 4.375 3.960 0.001 0.000 0.234 133 G C 0.212 174.927 174.900 -0.309 0.000 1.181 133 G CA -0.018 44.732 45.100 -0.583 0.000 0.871 133 G HN 0.814 nan 8.290 nan 0.000 0.490 134 G N -0.576 108.093 108.800 -0.218 0.000 2.649 134 G HA2 0.699 4.659 3.960 0.001 0.000 0.290 134 G HA3 0.699 4.659 3.960 0.001 0.000 0.290 134 G C -1.055 173.991 174.900 0.244 0.000 1.426 134 G CA 0.340 45.520 45.100 0.133 0.000 0.794 134 G HN 1.279 nan 8.290 nan 0.000 0.483 135 S N -1.290 114.653 115.700 0.405 0.000 2.595 135 S HA 0.543 5.013 4.470 0.001 0.000 0.281 135 S C 0.994 175.731 174.600 0.228 0.000 1.117 135 S CA -0.516 57.914 58.200 0.384 0.000 0.873 135 S CB 2.192 65.793 63.200 0.668 0.000 1.108 135 S HN 0.547 nan 8.310 nan 0.000 0.477 136 R N 2.039 122.631 120.500 0.153 0.000 2.120 136 R HA 0.169 4.510 4.340 0.001 0.000 0.234 136 R C 2.160 178.503 176.300 0.072 0.000 1.123 136 R CA 2.039 58.193 56.100 0.089 0.000 0.975 136 R CB -1.100 29.236 30.300 0.060 0.000 0.866 136 R HN 0.753 nan 8.270 nan 0.000 0.446 137 A N -1.220 121.648 122.820 0.080 0.000 2.121 137 A HA -0.087 4.234 4.320 0.001 0.000 0.218 137 A C 1.258 178.850 177.584 0.013 0.000 1.154 137 A CA 1.245 53.300 52.037 0.030 0.000 0.679 137 A CB -0.327 18.663 19.000 -0.017 0.000 0.795 137 A HN 0.402 nan 8.150 nan 0.000 0.458 138 c N 0.729 119.350 118.600 0.035 0.000 2.395 138 c HA 0.634 5.204 4.570 0.001 0.000 0.315 138 c C 1.281 175.361 174.090 -0.017 0.000 1.399 138 c CA -0.973 55.325 56.329 -0.052 0.000 1.788 138 c CB -2.015 40.415 42.510 -0.133 0.000 2.564 138 c HN 0.648 nan 8.230 nan 0.000 0.552 139 A N 0.633 123.456 122.820 0.005 0.000 2.531 139 A HA 0.388 4.709 4.320 0.001 0.000 0.236 139 A C -0.038 177.550 177.584 0.006 0.000 1.062 139 A CA 0.662 52.709 52.037 0.016 0.000 0.760 139 A CB 0.256 19.265 19.000 0.015 0.000 0.995 139 A HN 0.410 nan 8.150 nan 0.000 0.501 140 V N 2.981 122.905 119.914 0.016 0.000 2.305 140 V HA 0.339 4.459 4.120 0.001 0.000 0.275 140 V C 0.366 176.469 176.094 0.015 0.000 1.020 140 V CA 0.453 62.761 62.300 0.014 0.000 0.811 140 V CB 0.305 32.141 31.823 0.022 0.000 1.031 140 V HN 1.294 nan 8.190 nan 0.000 0.439 141 S N 3.692 119.397 115.700 0.010 0.000 3.749 141 S HA -0.176 4.295 4.470 0.001 0.000 0.348 141 S C 1.381 175.987 174.600 0.011 0.000 1.045 141 S CA 1.255 59.461 58.200 0.009 0.000 1.051 141 S CB -1.295 61.912 63.200 0.011 0.000 0.898 141 S HN 2.143 nan 8.310 nan 0.000 0.472 142 G N 0.043 108.849 108.800 0.011 0.000 2.155 142 G HA2 -0.319 3.641 3.960 0.001 0.000 0.257 142 G HA3 -0.319 3.641 3.960 0.001 0.000 0.257 142 G C -0.315 174.595 174.900 0.016 0.000 0.983 142 G CA 0.270 45.378 45.100 0.012 0.000 0.676 142 G HN 0.637 nan 8.290 nan 0.000 0.528 143 N N 1.066 119.778 118.700 0.020 0.000 2.392 143 N HA 0.495 5.236 4.740 0.001 0.000 0.283 143 N C -2.760 172.772 175.510 0.037 0.000 1.003 143 N CA -1.738 51.327 53.050 0.025 0.000 0.892 143 N CB 1.694 40.195 38.487 0.024 0.000 1.193 143 N HN -0.070 nan 8.380 nan 0.000 0.487 144 P HA -0.043 nan 4.420 nan 0.000 0.257 144 P C -0.212 177.140 177.300 0.086 0.000 1.162 144 P CA 0.753 63.894 63.100 0.067 0.000 0.762 144 P CB 0.520 32.251 31.700 0.052 0.000 0.753 145 S N 2.939 118.710 115.700 0.119 0.000 2.911 145 S HA 0.821 5.291 4.470 0.001 0.000 0.319 145 S C -1.594 173.170 174.600 0.274 0.000 1.154 145 S CA -0.460 57.831 58.200 0.151 0.000 0.857 145 S CB 0.621 63.875 63.200 0.090 0.000 1.279 145 S HN 0.203 nan 8.310 nan 0.000 0.593 146 F N 0.131 120.107 119.950 0.043 0.000 2.715 146 F HA 0.614 5.141 4.527 0.001 0.000 0.318 146 F C -1.557 174.236 175.800 -0.012 0.000 1.141 146 F CA -1.550 56.480 58.000 0.050 0.000 0.950 146 F CB 0.751 39.880 39.000 0.214 0.000 1.374 146 F HN 0.578 nan 8.300 nan 0.000 0.477 147 F N 4.347 123.865 119.950 -0.720 0.000 2.539 147 F HA 0.107 4.634 4.527 0.001 0.000 0.393 147 F C 1.680 177.450 175.800 -0.050 0.000 1.032 147 F CA 0.151 57.898 58.000 -0.421 0.000 1.120 147 F CB 0.053 38.676 39.000 -0.628 0.000 1.014 147 F HN 0.278 nan 8.300 nan 0.000 0.546 148 R N 2.061 122.641 120.500 0.135 0.000 2.139 148 R HA -0.196 4.144 4.340 0.001 0.000 0.243 148 R C 1.281 177.716 176.300 0.226 0.000 1.145 148 R CA 1.171 57.368 56.100 0.161 0.000 0.976 148 R CB -0.299 30.047 30.300 0.078 0.000 0.866 148 R HN 0.594 nan 8.270 nan 0.000 0.449 149 N N -0.504 118.320 118.700 0.206 0.000 2.412 149 N HA 0.038 4.778 4.740 0.001 0.000 0.184 149 N C 0.393 176.076 175.510 0.289 0.000 1.101 149 N CA 0.526 53.732 53.050 0.260 0.000 0.881 149 N CB 0.328 38.902 38.487 0.145 0.000 0.969 149 N HN 0.088 nan 8.380 nan 0.000 0.459 150 M N -0.026 119.757 119.600 0.304 0.000 2.811 150 M HA 0.431 4.911 4.480 0.001 0.000 0.303 150 M C -0.316 176.229 176.300 0.409 0.000 1.227 150 M CA -0.934 54.567 55.300 0.335 0.000 0.874 150 M CB 1.538 34.360 32.600 0.370 0.000 1.681 150 M HN -0.439 nan 8.290 nan 0.000 0.500 151 V N 0.943 121.027 119.914 0.284 0.000 2.482 151 V HA 0.245 4.366 4.120 0.001 0.000 0.295 151 V C -1.373 174.740 176.094 0.031 0.000 1.026 151 V CA -0.663 61.721 62.300 0.141 0.000 0.856 151 V CB 2.055 33.902 31.823 0.040 0.000 1.001 151 V HN 0.850 nan 8.190 nan 0.000 0.424 152 W N 7.175 128.258 121.300 -0.361 0.000 2.365 152 W HA 0.441 5.102 4.660 0.001 0.000 0.371 152 W C -0.377 175.917 176.519 -0.375 0.000 1.006 152 W CA -1.513 55.523 57.345 -0.514 0.000 1.528 152 W CB 0.346 29.239 29.460 -0.946 0.000 1.497 152 W HN 0.457 nan 8.180 nan 0.000 0.367 153 L N 7.455 128.698 121.223 0.033 0.000 2.530 153 L HA 0.077 4.418 4.340 0.001 0.000 0.273 153 L C 1.173 178.117 176.870 0.123 0.000 1.141 153 L CA 0.485 55.246 54.840 -0.133 0.000 0.905 153 L CB -0.226 41.572 42.059 -0.435 0.000 1.202 153 L HN 0.313 nan 8.230 nan 0.000 0.473 154 T N 0.042 114.546 114.554 -0.083 0.000 2.807 154 T HA 0.467 4.817 4.350 0.001 0.000 0.277 154 T C -0.358 174.347 174.700 0.009 0.000 1.006 154 T CA -1.213 60.822 62.100 -0.109 0.000 1.006 154 T CB 1.513 70.092 68.868 -0.482 0.000 1.274 154 T HN 0.489 nan 8.240 nan 0.000 0.569 155 K N 0.362 120.772 120.400 0.017 0.000 2.326 155 K HA 0.388 4.709 4.320 0.001 0.000 0.275 155 K C -0.392 176.172 176.600 -0.060 0.000 1.018 155 K CA -0.739 55.586 56.287 0.062 0.000 0.962 155 K CB 0.670 33.211 32.500 0.068 0.000 0.953 155 K HN 0.639 nan 8.250 nan 0.000 0.475 156 K N 2.246 122.596 120.400 -0.082 0.000 2.213 156 K HA 0.280 4.600 4.320 0.001 0.000 0.270 156 K C 0.495 177.054 176.600 -0.068 0.000 1.002 156 K CA 0.335 56.566 56.287 -0.093 0.000 0.868 156 K CB 0.943 33.368 32.500 -0.125 0.000 1.093 156 K HN 0.864 nan 8.250 nan 0.000 0.454 157 G N 2.377 111.142 108.800 -0.059 0.000 2.602 157 G HA2 -0.309 3.651 3.960 0.001 0.000 0.310 157 G HA3 -0.309 3.651 3.960 0.001 0.000 0.310 157 G C 0.207 175.087 174.900 -0.033 0.000 1.183 157 G CA 0.416 45.490 45.100 -0.044 0.000 0.979 157 G HN 0.568 nan 8.290 nan 0.000 0.545 158 S N 1.556 117.245 115.700 -0.018 0.000 2.661 158 S HA 0.460 4.930 4.470 0.001 0.000 0.245 158 S C -0.159 174.454 174.600 0.021 0.000 1.117 158 S CA -0.184 58.016 58.200 -0.000 0.000 1.091 158 S CB 0.069 63.269 63.200 0.001 0.000 0.887 158 S HN 0.606 nan 8.310 nan 0.000 0.491 159 N N 0.974 119.686 118.700 0.019 0.000 2.310 159 N HA 0.326 5.066 4.740 0.001 0.000 0.292 159 N C -1.805 173.748 175.510 0.072 0.000 1.049 159 N CA -0.394 52.680 53.050 0.041 0.000 0.849 159 N CB 1.458 39.945 38.487 -0.001 0.000 1.532 159 N HN 0.295 nan 8.380 nan 0.000 0.479 160 Y N 3.734 124.043 120.300 0.015 0.000 2.863 160 Y HA 0.455 5.005 4.550 0.001 0.000 0.348 160 Y C -2.286 173.667 175.900 0.088 0.000 1.028 160 Y CA -1.928 56.215 58.100 0.071 0.000 1.213 160 Y CB 0.953 39.498 38.460 0.143 0.000 1.120 160 Y HN 0.420 nan 8.280 nan 0.000 0.598 161 P HA -0.024 nan 4.420 nan 0.000 0.269 161 P C -0.488 176.989 177.300 0.295 0.000 1.215 161 P CA -0.040 63.124 63.100 0.108 0.000 0.780 161 P CB 0.737 32.397 31.700 -0.067 0.000 0.898 162 V N 0.831 120.902 119.914 0.262 0.000 2.790 162 V HA 0.062 4.183 4.120 0.001 0.000 0.304 162 V C 0.881 177.157 176.094 0.303 0.000 1.142 162 V CA 0.434 62.895 62.300 0.268 0.000 1.282 162 V CB -1.013 30.926 31.823 0.194 0.000 0.877 162 V HN 0.687 nan 8.190 nan 0.000 0.504 163 A N 5.932 128.892 122.820 0.233 0.000 2.274 163 A HA 0.672 4.993 4.320 0.001 0.000 0.309 163 A C 0.009 177.742 177.584 0.248 0.000 1.226 163 A CA -0.659 51.450 52.037 0.119 0.000 0.853 163 A CB 0.467 19.274 19.000 -0.321 0.000 1.146 163 A HN 0.865 nan 8.150 nan 0.000 0.518 164 K N 1.153 121.779 120.400 0.377 0.000 2.427 164 K HA 0.692 5.012 4.320 0.001 0.000 0.252 164 K C -0.358 176.372 176.600 0.216 0.000 0.931 164 K CA -0.503 55.947 56.287 0.272 0.000 0.793 164 K CB 2.703 35.300 32.500 0.161 0.000 1.211 164 K HN 0.943 nan 8.250 nan 0.000 0.426 165 G N 0.583 109.509 108.800 0.210 0.000 2.732 165 G HA2 0.525 4.486 3.960 0.001 0.000 0.296 165 G HA3 0.525 4.486 3.960 0.001 0.000 0.296 165 G C -1.405 173.599 174.900 0.174 0.000 1.448 165 G CA -0.432 44.696 45.100 0.047 0.000 0.911 165 G HN 0.414 nan 8.290 nan 0.000 0.528 166 S N -0.760 115.000 115.700 0.100 0.000 2.618 166 S HA 0.759 5.230 4.470 0.001 0.000 0.277 166 S C -1.906 172.807 174.600 0.189 0.000 1.138 166 S CA -0.668 57.614 58.200 0.136 0.000 0.844 166 S CB 2.101 65.332 63.200 0.051 0.000 1.127 166 S HN 0.944 nan 8.310 nan 0.000 0.474 167 Y N 2.067 122.394 120.300 0.045 0.000 2.330 167 Y HA 0.457 5.008 4.550 0.001 0.000 0.324 167 Y C -1.068 174.851 175.900 0.032 0.000 1.093 167 Y CA -0.707 57.413 58.100 0.033 0.000 1.103 167 Y CB 1.053 39.543 38.460 0.051 0.000 1.183 167 Y HN 0.692 nan 8.280 nan 0.000 0.433 168 N N 4.772 123.109 118.700 -0.606 0.000 2.408 168 N HA 0.039 4.780 4.740 0.001 0.000 0.257 168 N C -0.768 174.226 175.510 -0.860 0.000 1.064 168 N CA 0.014 52.777 53.050 -0.479 0.000 0.952 168 N CB 0.541 38.892 38.487 -0.226 0.000 1.093 168 N HN 0.786 nan 8.380 nan 0.000 0.490 169 N N 2.606 121.029 118.700 -0.463 0.000 2.434 169 N HA -0.015 4.725 4.740 0.001 0.000 0.273 169 N C 0.783 176.233 175.510 -0.100 0.000 1.210 169 N CA 0.065 52.981 53.050 -0.225 0.000 0.992 169 N CB 0.091 38.593 38.487 0.025 0.000 1.355 169 N HN 0.549 nan 8.380 nan 0.000 0.495 170 T N -1.259 113.281 114.554 -0.023 0.000 3.037 170 T HA -0.065 4.286 4.350 0.001 0.000 0.252 170 T C 1.889 176.649 174.700 0.100 0.000 1.073 170 T CA 0.497 62.712 62.100 0.191 0.000 1.091 170 T CB -0.479 68.506 68.868 0.195 0.000 0.935 170 T HN 0.371 nan 8.240 nan 0.000 0.488 171 S N 1.972 117.715 115.700 0.072 0.000 2.434 171 S HA -0.046 4.424 4.470 0.001 0.000 0.243 171 S C 2.236 176.823 174.600 -0.022 0.000 1.045 171 S CA 1.645 59.875 58.200 0.050 0.000 1.019 171 S CB -1.398 61.839 63.200 0.062 0.000 0.811 171 S HN 1.556 nan 8.310 nan 0.000 0.485 172 G N 0.093 108.771 108.800 -0.204 0.000 2.176 172 G HA2 -0.179 3.782 3.960 0.001 0.000 0.232 172 G HA3 -0.179 3.782 3.960 0.001 0.000 0.232 172 G C -0.211 174.571 174.900 -0.196 0.000 0.986 172 G CA 0.214 45.179 45.100 -0.225 0.000 0.643 172 G HN 0.685 nan 8.290 nan 0.000 0.522 173 E N -0.260 119.847 120.200 -0.154 0.000 2.392 173 E HA 0.497 4.848 4.350 0.001 0.000 0.269 173 E C -0.345 176.197 176.600 -0.097 0.000 0.924 173 E CA -0.953 55.395 56.400 -0.088 0.000 0.784 173 E CB 1.245 30.951 29.700 0.009 0.000 1.292 173 E HN 0.291 nan 8.360 nan 0.000 0.447 174 Q N 0.924 120.695 119.800 -0.049 0.000 2.392 174 Q HA 0.243 4.583 4.340 0.001 0.000 0.262 174 Q C -0.601 175.429 176.000 0.048 0.000 1.003 174 Q CA 0.520 56.319 55.803 -0.006 0.000 0.888 174 Q CB 0.921 29.678 28.738 0.030 0.000 1.260 174 Q HN 0.327 nan 8.270 nan 0.000 0.435 175 M N 3.052 122.707 119.600 0.091 0.000 2.326 175 M HA 0.276 4.757 4.480 0.001 0.000 0.306 175 M C -1.595 174.834 176.300 0.215 0.000 1.054 175 M CA -1.127 54.252 55.300 0.131 0.000 0.922 175 M CB 1.153 33.824 32.600 0.119 0.000 1.632 175 M HN 0.517 nan 8.290 nan 0.000 0.436 176 L N 7.293 128.676 121.223 0.267 0.000 2.342 176 L HA 0.484 4.824 4.340 0.001 0.000 0.285 176 L C -1.452 175.673 176.870 0.426 0.000 1.095 176 L CA 0.412 55.473 54.840 0.368 0.000 0.843 176 L CB -0.118 42.156 42.059 0.357 0.000 1.201 176 L HN 0.603 nan 8.230 nan 0.000 0.445 177 I N 6.051 126.891 120.570 0.450 0.000 2.412 177 I HA 0.414 4.584 4.170 0.001 0.000 0.296 177 I C -0.314 176.181 176.117 0.630 0.000 0.987 177 I CA -0.504 61.077 61.300 0.468 0.000 1.180 177 I CB 1.623 39.879 38.000 0.427 0.000 1.340 177 I HN 0.490 nan 8.210 nan 0.000 0.455 178 I N 5.081 125.989 120.570 0.564 0.000 2.509 178 I HA 0.449 4.619 4.170 0.001 0.000 0.293 178 I C -0.943 175.500 176.117 0.545 0.000 1.020 178 I CA -0.463 61.142 61.300 0.510 0.000 1.088 178 I CB 1.658 39.865 38.000 0.344 0.000 1.267 178 I HN 0.681 nan 8.210 nan 0.000 0.430 179 W N 4.395 125.841 121.300 0.244 0.000 3.040 179 W HA 0.927 5.588 4.660 0.001 0.000 0.344 179 W C -0.813 175.733 176.519 0.046 0.000 1.201 179 W CA -0.962 56.482 57.345 0.165 0.000 1.119 179 W CB 0.990 30.612 29.460 0.271 0.000 1.478 179 W HN 0.565 nan 8.180 nan 0.000 0.586 180 G N 0.099 108.879 108.800 -0.033 0.000 2.642 180 G HA2 0.658 4.619 3.960 0.001 0.000 0.293 180 G HA3 0.658 4.619 3.960 0.001 0.000 0.293 180 G C -2.371 172.301 174.900 -0.380 0.000 1.341 180 G CA -1.058 43.682 45.100 -0.600 0.000 0.916 180 G HN 0.661 nan 8.290 nan 0.000 0.474 181 V N 0.917 120.507 119.914 -0.541 0.000 2.588 181 V HA 0.397 4.518 4.120 0.001 0.000 0.304 181 V C -0.646 175.057 176.094 -0.652 0.000 1.042 181 V CA -0.855 61.166 62.300 -0.464 0.000 0.877 181 V CB 1.706 33.307 31.823 -0.371 0.000 0.996 181 V HN 0.861 nan 8.190 nan 0.000 0.425 182 H N 5.137 123.830 119.070 -0.629 0.000 2.517 182 H HA 0.417 4.974 4.556 0.001 0.000 0.317 182 H C -1.135 173.909 175.328 -0.473 0.000 1.080 182 H CA -0.683 55.044 56.048 -0.535 0.000 1.301 182 H CB 0.817 30.367 29.762 -0.354 0.000 1.425 182 H HN 0.681 nan 8.280 nan 0.000 0.471 183 H N 6.622 125.394 119.070 -0.497 0.000 2.581 183 H HA 0.230 4.787 4.556 0.001 0.000 0.308 183 H C -2.361 172.671 175.328 -0.492 0.000 1.040 183 H CA -2.102 53.711 56.048 -0.391 0.000 1.231 183 H CB 1.453 31.098 29.762 -0.195 0.000 1.396 183 H HN 0.565 nan 8.280 nan 0.000 0.467 184 P HA 0.152 nan 4.420 nan 0.000 0.279 184 P C 1.175 178.484 177.300 0.015 0.000 1.282 184 P CA -0.525 62.521 63.100 -0.090 0.000 0.788 184 P CB 1.264 33.005 31.700 0.069 0.000 1.139 185 I N -4.620 115.989 120.570 0.065 0.000 4.025 185 I HA 0.489 4.660 4.170 0.001 0.000 0.336 185 I C -0.330 175.817 176.117 0.050 0.000 1.390 185 I CA 0.356 61.686 61.300 0.051 0.000 1.099 185 I CB 0.156 38.191 38.000 0.058 0.000 1.049 185 I HN -0.046 nan 8.210 nan 0.000 0.394 186 D N 1.748 122.185 120.400 0.061 0.000 2.937 186 D HA 0.121 4.762 4.640 0.001 0.000 0.215 186 D C -0.552 175.787 176.300 0.065 0.000 1.274 186 D CA -0.233 53.804 54.000 0.060 0.000 0.869 186 D CB 2.404 43.247 40.800 0.072 0.000 1.675 186 D HN 0.125 nan 8.370 nan 0.000 0.538 187 E N 1.281 121.511 120.200 0.050 0.000 2.382 187 E HA 0.014 4.364 4.350 0.001 0.000 0.190 187 E C 0.613 177.247 176.600 0.057 0.000 1.125 187 E CA 0.660 57.091 56.400 0.051 0.000 0.929 187 E CB 0.365 30.087 29.700 0.036 0.000 1.053 187 E HN 0.204 nan 8.360 nan 0.000 0.475 188 K N -0.960 119.478 120.400 0.064 0.000 2.443 188 K HA 0.043 4.364 4.320 0.001 0.000 0.200 188 K C 1.613 178.257 176.600 0.072 0.000 1.278 188 K CA 0.051 56.373 56.287 0.058 0.000 0.925 188 K CB 0.363 32.890 32.500 0.044 0.000 1.225 188 K HN -0.031 nan 8.250 nan 0.000 0.514 189 E N 1.388 121.646 120.200 0.097 0.000 2.106 189 E HA -0.258 4.092 4.350 0.001 0.000 0.192 189 E C 1.938 178.649 176.600 0.185 0.000 0.984 189 E CA 1.175 57.655 56.400 0.135 0.000 0.806 189 E CB 0.263 30.069 29.700 0.177 0.000 0.750 189 E HN 0.100 nan 8.360 nan 0.000 0.458 190 Q N 0.839 120.754 119.800 0.192 0.000 2.170 190 Q HA -0.139 4.202 4.340 0.001 0.000 0.203 190 Q C 1.875 178.016 176.000 0.235 0.000 0.976 190 Q CA 1.655 57.615 55.803 0.261 0.000 0.858 190 Q CB 0.063 28.889 28.738 0.147 0.000 0.907 190 Q HN 0.212 nan 8.270 nan 0.000 0.433 191 R N -1.310 119.266 120.500 0.126 0.000 2.080 191 R HA 0.057 4.398 4.340 0.001 0.000 0.222 191 R C 2.315 178.638 176.300 0.038 0.000 1.107 191 R CA 1.428 57.578 56.100 0.083 0.000 0.980 191 R CB -0.310 30.023 30.300 0.056 0.000 0.879 191 R HN 0.239 nan 8.270 nan 0.000 0.439 192 T N 1.968 116.534 114.554 0.019 0.000 2.653 192 T HA -0.162 4.189 4.350 0.001 0.000 0.268 192 T C 1.849 176.473 174.700 -0.127 0.000 1.035 192 T CA 1.369 63.447 62.100 -0.037 0.000 1.154 192 T CB -0.154 68.697 68.868 -0.028 0.000 0.862 192 T HN 0.126 nan 8.240 nan 0.000 0.441 193 L N -1.548 119.549 121.223 -0.211 0.000 2.202 193 L HA 0.112 4.452 4.340 0.001 0.000 0.205 193 L C 1.675 178.170 176.870 -0.625 0.000 1.083 193 L CA 1.088 55.580 54.840 -0.580 0.000 0.790 193 L CB -0.102 41.376 42.059 -0.968 0.000 0.942 193 L HN 0.310 nan 8.230 nan 0.000 0.452 194 Y N -2.749 117.557 120.300 0.009 0.000 2.527 194 Y HA 0.174 4.725 4.550 0.001 0.000 0.247 194 Y C 1.474 177.354 175.900 -0.033 0.000 1.138 194 Y CA -0.498 57.562 58.100 -0.066 0.000 1.228 194 Y CB 0.442 38.758 38.460 -0.240 0.000 1.252 194 Y HN -0.046 nan 8.280 nan 0.000 0.531 195 Q N 0.261 120.126 119.800 0.109 0.000 1.868 195 Q HA -0.311 4.029 4.340 0.001 0.000 0.171 195 Q C -0.345 175.702 176.000 0.077 0.000 2.942 195 Q CA 2.123 57.977 55.803 0.084 0.000 0.184 195 Q CB -1.617 27.176 28.738 0.092 0.000 0.207 195 Q HN 0.667 nan 8.270 nan 0.000 0.359 196 N N 0.009 118.750 118.700 0.069 0.000 2.453 196 N HA 0.197 4.937 4.740 0.001 0.000 0.253 196 N C 1.006 176.532 175.510 0.026 0.000 1.252 196 N CA 0.325 53.399 53.050 0.041 0.000 0.917 196 N CB 0.772 39.271 38.487 0.020 0.000 1.117 196 N HN 0.041 nan 8.380 nan 0.000 0.442 197 V N 0.280 120.208 119.914 0.024 0.000 2.911 197 V HA 0.127 4.248 4.120 0.001 0.000 0.237 197 V C 1.403 177.501 176.094 0.007 0.000 1.156 197 V CA 0.617 62.928 62.300 0.019 0.000 1.180 197 V CB 0.224 32.064 31.823 0.028 0.000 0.932 197 V HN 0.867 nan 8.190 nan 0.000 0.483 198 G N 2.656 111.469 108.800 0.022 0.000 3.458 198 G HA2 0.331 4.292 3.960 0.001 0.000 0.256 198 G HA3 0.331 4.292 3.960 0.001 0.000 0.256 198 G C 0.475 175.413 174.900 0.063 0.000 0.938 198 G CA 0.585 45.705 45.100 0.032 0.000 1.890 198 G HN 0.487 nan 8.290 nan 0.000 0.639 199 T N -1.102 113.465 114.554 0.021 0.000 2.824 199 T HA 0.711 5.062 4.350 0.001 0.000 0.277 199 T C -0.204 174.569 174.700 0.122 0.000 0.975 199 T CA -0.653 61.459 62.100 0.020 0.000 0.966 199 T CB 1.368 70.117 68.868 -0.198 0.000 1.054 199 T HN 0.714 nan 8.240 nan 0.000 0.533 200 Y N -2.485 117.767 120.300 -0.080 0.000 2.670 200 Y HA 0.716 5.266 4.550 0.001 0.000 0.334 200 Y C -1.895 173.983 175.900 -0.035 0.000 1.185 200 Y CA -1.631 56.442 58.100 -0.045 0.000 1.053 200 Y CB 1.067 39.517 38.460 -0.015 0.000 1.298 200 Y HN 0.488 nan 8.280 nan 0.000 0.459 201 V N 2.229 122.151 119.914 0.013 0.000 2.445 201 V HA 0.416 4.537 4.120 0.001 0.000 0.283 201 V C -0.712 175.450 176.094 0.113 0.000 1.014 201 V CA -0.410 61.871 62.300 -0.032 0.000 0.852 201 V CB 1.205 33.035 31.823 0.012 0.000 1.021 201 V HN 0.841 nan 8.190 nan 0.000 0.435 202 S N 3.460 119.227 115.700 0.111 0.000 2.509 202 S HA 0.863 5.334 4.470 0.001 0.000 0.297 202 S C -0.677 173.880 174.600 -0.072 0.000 1.118 202 S CA -0.411 57.858 58.200 0.115 0.000 1.074 202 S CB 1.662 65.004 63.200 0.237 0.000 1.038 202 S HN 0.476 nan 8.310 nan 0.000 0.498 203 V N 2.647 122.449 119.914 -0.187 0.000 2.668 203 V HA 0.780 4.901 4.120 0.001 0.000 0.304 203 V C 0.270 176.136 176.094 -0.380 0.000 1.071 203 V CA -0.587 61.408 62.300 -0.509 0.000 0.894 203 V CB 1.733 32.996 31.823 -0.933 0.000 1.008 203 V HN 0.952 nan 8.190 nan 0.000 0.425 204 G N 1.979 110.544 108.800 -0.392 0.000 2.620 204 G HA2 0.832 4.793 3.960 0.001 0.000 0.301 204 G HA3 0.832 4.793 3.960 0.001 0.000 0.301 204 G C -0.562 174.209 174.900 -0.215 0.000 1.347 204 G CA 0.056 45.018 45.100 -0.231 0.000 0.971 204 G HN 0.889 nan 8.290 nan 0.000 0.488 205 T N -2.386 112.090 114.554 -0.131 0.000 2.626 205 T HA 0.512 4.863 4.350 0.001 0.000 0.279 205 T C 1.324 176.001 174.700 -0.040 0.000 0.983 205 T CA 0.194 62.247 62.100 -0.079 0.000 1.059 205 T CB 1.124 69.960 68.868 -0.054 0.000 1.396 205 T HN 0.236 nan 8.240 nan 0.000 0.519 206 S N 0.429 116.120 115.700 -0.014 0.000 2.399 206 S HA -0.042 4.428 4.470 0.001 0.000 0.231 206 S C 2.039 176.640 174.600 0.001 0.000 1.022 206 S CA 1.974 60.174 58.200 -0.001 0.000 0.983 206 S CB -0.659 62.550 63.200 0.016 0.000 0.803 206 S HN 0.986 nan 8.310 nan 0.000 0.480 207 T N -1.687 112.868 114.554 0.002 0.000 2.999 207 T HA 0.310 4.660 4.350 0.001 0.000 0.247 207 T C 0.278 174.978 174.700 0.000 0.000 1.012 207 T CA -0.330 61.774 62.100 0.007 0.000 1.048 207 T CB -0.185 68.695 68.868 0.020 0.000 1.020 207 T HN 0.153 nan 8.240 nan 0.000 0.478 208 L N 2.640 123.857 121.223 -0.009 0.000 2.325 208 L HA 0.786 5.127 4.340 0.001 0.000 0.279 208 L C -1.107 175.742 176.870 -0.034 0.000 1.054 208 L CA -0.527 54.306 54.840 -0.012 0.000 0.804 208 L CB 1.389 43.448 42.059 0.001 0.000 1.200 208 L HN 0.340 nan 8.230 nan 0.000 0.436 209 N N 3.133 121.824 118.700 -0.015 0.000 2.629 209 N HA 0.371 5.112 4.740 0.001 0.000 0.277 209 N C -1.758 173.758 175.510 0.011 0.000 1.188 209 N CA -0.512 52.525 53.050 -0.022 0.000 0.835 209 N CB 0.821 39.298 38.487 -0.016 0.000 1.420 209 N HN 0.716 nan 8.380 nan 0.000 0.542 210 K N 2.079 122.492 120.400 0.021 0.000 2.422 210 K HA 0.587 4.908 4.320 0.001 0.000 0.251 210 K C -1.322 175.330 176.600 0.087 0.000 0.933 210 K CA -0.765 55.572 56.287 0.084 0.000 0.798 210 K CB 1.547 34.163 32.500 0.194 0.000 1.238 210 K HN 0.465 nan 8.250 nan 0.000 0.428 211 R N 2.231 122.790 120.500 0.098 0.000 2.502 211 R HA 0.355 4.695 4.340 0.001 0.000 0.298 211 R C -1.440 174.934 176.300 0.123 0.000 1.018 211 R CA -0.375 55.796 56.100 0.119 0.000 0.899 211 R CB 1.636 31.989 30.300 0.087 0.000 1.181 211 R HN 0.673 nan 8.270 nan 0.000 0.444 212 S N 1.681 117.471 115.700 0.149 0.000 2.565 212 S HA 0.420 4.891 4.470 0.001 0.000 0.290 212 S C -0.355 174.314 174.600 0.114 0.000 1.150 212 S CA -0.690 57.584 58.200 0.122 0.000 1.058 212 S CB 1.795 65.067 63.200 0.121 0.000 1.032 212 S HN 0.648 nan 8.310 nan 0.000 0.510 213 T N -0.029 114.581 114.554 0.094 0.000 2.823 213 T HA 0.591 4.942 4.350 0.001 0.000 0.279 213 T C -3.123 171.629 174.700 0.088 0.000 0.998 213 T CA -2.564 59.583 62.100 0.078 0.000 0.994 213 T CB 0.868 69.772 68.868 0.059 0.000 0.960 213 T HN 0.171 nan 8.240 nan 0.000 0.448 214 P HA 0.181 nan 4.420 nan 0.000 0.265 214 P C -0.558 176.830 177.300 0.148 0.000 1.193 214 P CA -0.085 63.085 63.100 0.117 0.000 0.765 214 P CB 0.265 31.930 31.700 -0.058 0.000 0.823 215 E N 2.875 123.207 120.200 0.220 0.000 2.121 215 E HA 0.287 4.638 4.350 0.001 0.000 0.255 215 E C -0.186 176.382 176.600 -0.053 0.000 0.906 215 E CA -0.400 55.960 56.400 -0.067 0.000 0.745 215 E CB 0.502 30.024 29.700 -0.297 0.000 1.155 215 E HN 0.400 nan 8.360 nan 0.000 0.424 216 I N 2.558 123.121 120.570 -0.012 0.000 2.496 216 I HA 0.399 4.570 4.170 0.001 0.000 0.285 216 I C 0.183 176.290 176.117 -0.017 0.000 1.080 216 I CA -0.026 61.271 61.300 -0.005 0.000 1.404 216 I CB 0.878 38.884 38.000 0.010 0.000 1.403 216 I HN 0.494 nan 8.210 nan 0.000 0.539 217 A N 3.760 126.573 122.820 -0.012 0.000 2.573 217 A HA 0.470 4.791 4.320 0.001 0.000 0.299 217 A C -0.334 177.250 177.584 -0.000 0.000 1.060 217 A CA -0.750 51.279 52.037 -0.014 0.000 0.736 217 A CB 0.718 19.696 19.000 -0.037 0.000 1.280 217 A HN 0.609 nan 8.150 nan 0.000 0.401 218 T N 2.159 116.715 114.554 0.005 0.000 2.934 218 T HA 0.444 4.794 4.350 0.001 0.000 0.306 218 T C 0.162 174.867 174.700 0.007 0.000 1.042 218 T CA 0.369 62.476 62.100 0.011 0.000 1.145 218 T CB -0.081 68.793 68.868 0.010 0.000 0.982 218 T HN 0.665 nan 8.240 nan 0.000 0.544 219 R N 2.023 122.531 120.500 0.013 0.000 2.643 219 R HA 0.418 4.759 4.340 0.001 0.000 0.269 219 R C -2.939 173.370 176.300 0.015 0.000 1.037 219 R CA -1.903 54.204 56.100 0.012 0.000 0.894 219 R CB 0.898 31.207 30.300 0.015 0.000 1.238 219 R HN 0.401 nan 8.270 nan 0.000 0.459 220 P HA 0.016 nan 4.420 nan 0.000 0.270 220 P C -0.954 176.353 177.300 0.012 0.000 1.227 220 P CA -0.170 62.937 63.100 0.012 0.000 0.788 220 P CB 0.536 32.242 31.700 0.011 0.000 0.926 221 K N 0.423 120.829 120.400 0.009 0.000 2.201 221 K HA 0.460 4.780 4.320 0.001 0.000 0.278 221 K C -0.966 175.632 176.600 -0.003 0.000 1.027 221 K CA -0.676 55.613 56.287 0.003 0.000 0.909 221 K CB 1.023 33.525 32.500 0.003 0.000 1.062 221 K HN 0.106 nan 8.250 nan 0.000 0.465 222 V N 3.924 123.829 119.914 -0.014 0.000 2.407 222 V HA 0.118 4.238 4.120 0.001 0.000 0.291 222 V C -0.275 175.796 176.094 -0.039 0.000 1.018 222 V CA -0.922 61.370 62.300 -0.014 0.000 0.842 222 V CB 1.138 32.961 31.823 0.000 0.000 0.996 222 V HN 0.862 nan 8.190 nan 0.000 0.426 223 N N 3.951 122.634 118.700 -0.028 0.000 2.725 223 N HA -0.215 4.526 4.740 0.001 0.000 0.249 223 N C 1.223 176.705 175.510 -0.047 0.000 1.103 223 N CA 1.925 54.953 53.050 -0.037 0.000 0.707 223 N CB -1.184 37.273 38.487 -0.050 0.000 1.043 223 N HN 1.502 nan 8.380 nan 0.000 0.553 224 G N -2.169 106.612 108.800 -0.031 0.000 2.304 224 G HA2 -0.339 3.621 3.960 0.001 0.000 0.252 224 G HA3 -0.339 3.621 3.960 0.001 0.000 0.252 224 G C 0.028 174.913 174.900 -0.026 0.000 1.014 224 G CA 0.548 45.636 45.100 -0.020 0.000 0.619 224 G HN 0.418 nan 8.290 nan 0.000 0.525 225 L N 0.812 121.990 121.223 -0.074 0.000 2.312 225 L HA 0.645 4.985 4.340 0.001 0.000 0.281 225 L C 1.713 178.565 176.870 -0.030 0.000 1.070 225 L CA 0.246 55.039 54.840 -0.079 0.000 0.805 225 L CB 1.559 43.447 42.059 -0.286 0.000 1.174 225 L HN 0.120 nan 8.230 nan 0.000 0.434 226 G N 0.433 109.249 108.800 0.027 0.000 2.796 226 G HA2 0.001 3.961 3.960 0.001 0.000 0.210 226 G HA3 0.001 3.961 3.960 0.001 0.000 0.210 226 G C 0.620 175.561 174.900 0.069 0.000 1.146 226 G CA 0.228 45.353 45.100 0.040 0.000 0.779 226 G HN 0.613 nan 8.290 nan 0.000 0.535 227 S N 0.237 116.011 115.700 0.124 0.000 2.624 227 S HA 0.718 5.189 4.470 0.001 0.000 0.263 227 S C -0.058 174.679 174.600 0.229 0.000 1.287 227 S CA -0.465 57.842 58.200 0.179 0.000 0.990 227 S CB 1.564 64.976 63.200 0.354 0.000 0.950 227 S HN 0.174 nan 8.310 nan 0.000 0.561 228 R N -0.325 120.318 120.500 0.239 0.000 2.774 228 R HA 0.487 4.827 4.340 0.001 0.000 0.272 228 R C -1.218 175.208 176.300 0.210 0.000 1.000 228 R CA -0.667 55.605 56.100 0.286 0.000 0.906 228 R CB 1.709 32.124 30.300 0.191 0.000 1.227 228 R HN 0.689 nan 8.270 nan 0.000 0.468 229 M N 1.406 121.092 119.600 0.144 0.000 2.134 229 M HA 0.280 4.761 4.480 0.001 0.000 0.310 229 M C -0.345 175.717 176.300 -0.396 0.000 0.966 229 M CA -0.370 54.770 55.300 -0.268 0.000 0.922 229 M CB 2.246 34.596 32.600 -0.417 0.000 1.537 229 M HN 0.410 nan 8.290 nan 0.000 0.424 230 E N 4.210 124.116 120.200 -0.491 0.000 2.055 230 E HA 0.367 4.718 4.350 0.001 0.000 0.274 230 E C -1.562 174.670 176.600 -0.613 0.000 0.949 230 E CA -0.390 55.806 56.400 -0.339 0.000 0.775 230 E CB 0.804 30.477 29.700 -0.045 0.000 1.097 230 E HN 0.423 nan 8.360 nan 0.000 0.404 231 F N 1.988 121.648 119.950 -0.483 0.000 2.385 231 F HA 0.318 4.846 4.527 0.001 0.000 0.336 231 F C 0.592 175.915 175.800 -0.795 0.000 1.100 231 F CA -0.288 57.231 58.000 -0.802 0.000 1.116 231 F CB 1.674 39.905 39.000 -1.281 0.000 1.166 231 F HN 0.258 nan 8.300 nan 0.000 0.511 232 S N 2.032 117.271 115.700 -0.769 0.000 2.667 232 S HA 0.611 5.081 4.470 0.001 0.000 0.292 232 S C -1.437 172.760 174.600 -0.672 0.000 1.126 232 S CA -0.889 56.871 58.200 -0.734 0.000 0.881 232 S CB 2.234 64.853 63.200 -0.969 0.000 1.132 232 S HN 0.727 nan 8.310 nan 0.000 0.492 233 W N -0.168 120.906 121.300 -0.377 0.000 3.040 233 W HA 0.821 5.481 4.660 0.001 0.000 0.344 233 W C -1.131 175.552 176.519 0.273 0.000 1.201 233 W CA -0.785 56.580 57.345 0.034 0.000 1.119 233 W CB 0.881 30.489 29.460 0.247 0.000 1.478 233 W HN 0.742 nan 8.180 nan 0.000 0.586 234 T N 0.417 115.380 114.554 0.682 0.000 2.802 234 T HA 0.516 4.867 4.350 0.001 0.000 0.311 234 T C -1.904 173.123 174.700 0.545 0.000 1.405 234 T CA -0.662 61.698 62.100 0.433 0.000 1.016 234 T CB 1.574 70.658 68.868 0.360 0.000 1.352 234 T HN 0.468 nan 8.240 nan 0.000 0.498 235 L N 3.316 124.778 121.223 0.399 0.000 2.272 235 L HA 0.552 4.893 4.340 0.001 0.000 0.289 235 L C -0.693 176.300 176.870 0.205 0.000 1.032 235 L CA -1.058 53.974 54.840 0.320 0.000 0.810 235 L CB 1.436 43.671 42.059 0.294 0.000 1.205 235 L HN 0.487 nan 8.230 nan 0.000 0.422 236 L N 4.180 125.514 121.223 0.185 0.000 2.265 236 L HA 0.319 4.660 4.340 0.001 0.000 0.288 236 L C 0.135 177.049 176.870 0.073 0.000 1.058 236 L CA 0.055 54.971 54.840 0.126 0.000 0.809 236 L CB 0.626 42.779 42.059 0.157 0.000 1.179 236 L HN 0.450 nan 8.230 nan 0.000 0.429 237 D N 3.798 124.222 120.400 0.039 0.000 2.363 237 D HA 0.120 4.760 4.640 0.001 0.000 0.240 237 D C 0.322 176.562 176.300 -0.101 0.000 1.236 237 D CA 0.027 54.020 54.000 -0.012 0.000 0.927 237 D CB 0.557 41.362 40.800 0.007 0.000 1.150 237 D HN 0.495 nan 8.370 nan 0.000 0.458 238 M N -0.014 119.439 119.600 -0.244 0.000 2.248 238 M HA -0.016 4.465 4.480 0.001 0.000 0.345 238 M C 0.039 176.081 176.300 -0.430 0.000 1.243 238 M CA 0.730 55.656 55.300 -0.625 0.000 1.090 238 M CB 0.144 32.114 32.600 -1.051 0.000 1.683 238 M HN 0.561 nan 8.290 nan 0.000 0.450 239 W N -0.437 120.858 121.300 -0.008 0.000 2.046 239 W HA -0.250 4.410 4.660 0.001 0.000 0.263 239 W C -0.003 176.491 176.519 -0.041 0.000 1.048 239 W CA -0.157 57.167 57.345 -0.034 0.000 0.474 239 W CB -1.572 27.876 29.460 -0.021 0.000 2.069 239 W HN 0.530 nan 8.180 nan 0.000 1.264 240 D N 0.249 120.708 120.400 0.098 0.000 2.326 240 D HA 0.580 5.220 4.640 0.001 0.000 0.251 240 D C 0.088 176.392 176.300 0.007 0.000 1.023 240 D CA 0.067 54.098 54.000 0.052 0.000 0.966 240 D CB 1.310 42.132 40.800 0.038 0.000 1.156 240 D HN -0.133 nan 8.370 nan 0.000 0.494 241 T N 1.710 116.261 114.554 -0.006 0.000 2.824 241 T HA 0.418 4.769 4.350 0.001 0.000 0.282 241 T C -0.196 174.486 174.700 -0.031 0.000 0.993 241 T CA -0.564 61.519 62.100 -0.028 0.000 0.967 241 T CB 0.795 69.641 68.868 -0.037 0.000 0.960 241 T HN 0.339 nan 8.240 nan 0.000 0.441 242 I N 3.392 123.958 120.570 -0.008 0.000 2.353 242 I HA 0.389 4.560 4.170 0.001 0.000 0.293 242 I C -0.710 175.308 176.117 -0.166 0.000 0.992 242 I CA -0.700 60.523 61.300 -0.128 0.000 1.268 242 I CB 0.615 38.544 38.000 -0.118 0.000 1.387 242 I HN 0.462 nan 8.210 nan 0.000 0.478 243 N N 7.651 126.172 118.700 -0.298 0.000 2.417 243 N HA 0.368 5.109 4.740 0.001 0.000 0.274 243 N C -1.458 173.825 175.510 -0.379 0.000 0.987 243 N CA -0.188 52.740 53.050 -0.204 0.000 0.912 243 N CB 1.498 39.916 38.487 -0.115 0.000 1.177 243 N HN 0.358 nan 8.380 nan 0.000 0.490 244 F N 0.746 120.671 119.950 -0.042 0.000 2.421 244 F HA 0.363 4.891 4.527 0.001 0.000 0.337 244 F C 0.771 176.580 175.800 0.014 0.000 1.105 244 F CA -0.574 57.395 58.000 -0.052 0.000 1.049 244 F CB 1.691 40.691 39.000 0.001 0.000 1.139 244 F HN 0.279 nan 8.300 nan 0.000 0.479 245 E N 1.879 122.173 120.200 0.157 0.000 2.287 245 E HA 0.472 4.823 4.350 0.001 0.000 0.274 245 E C -1.666 174.898 176.600 -0.059 0.000 0.896 245 E CA -0.396 56.067 56.400 0.105 0.000 0.788 245 E CB 1.720 31.501 29.700 0.134 0.000 1.244 245 E HN 0.576 nan 8.360 nan 0.000 0.408 246 S N 1.870 117.486 115.700 -0.140 0.000 2.564 246 S HA 0.414 4.884 4.470 0.001 0.000 0.274 246 S C -0.042 174.385 174.600 -0.289 0.000 1.124 246 S CA -0.117 57.846 58.200 -0.395 0.000 0.869 246 S CB 1.669 64.745 63.200 -0.207 0.000 1.105 246 S HN 0.519 nan 8.310 nan 0.000 0.472 247 T N -0.252 113.990 114.554 -0.519 0.000 3.174 247 T HA 0.630 4.980 4.350 0.001 0.000 0.269 247 T C 0.679 175.110 174.700 -0.448 0.000 1.017 247 T CA 0.122 62.109 62.100 -0.188 0.000 0.899 247 T CB -0.193 68.642 68.868 -0.054 0.000 1.077 247 T HN 1.565 nan 8.240 nan 0.000 0.552 248 G N 0.747 109.183 108.800 -0.607 0.000 2.368 248 G HA2 0.345 4.305 3.960 0.001 0.000 0.301 248 G HA3 0.345 4.305 3.960 0.001 0.000 0.301 248 G C -0.301 174.184 174.900 -0.692 0.000 1.640 248 G CA -0.422 44.132 45.100 -0.910 0.000 0.941 248 G HN 0.015 nan 8.290 nan 0.000 0.695 249 N N -2.103 116.076 118.700 -0.868 0.000 2.984 249 N HA -0.173 4.567 4.740 0.001 0.000 0.227 249 N C 0.483 175.833 175.510 -0.267 0.000 0.903 249 N CA 0.973 53.614 53.050 -0.682 0.000 0.995 249 N CB -0.698 37.396 38.487 -0.655 0.000 1.065 249 N HN 0.997 nan 8.380 nan 0.000 0.585 250 L N 2.434 123.557 121.223 -0.166 0.000 2.410 250 L HA 0.336 4.677 4.340 0.001 0.000 0.273 250 L C -0.003 176.783 176.870 -0.140 0.000 1.152 250 L CA 0.141 54.905 54.840 -0.127 0.000 0.855 250 L CB 0.423 42.404 42.059 -0.130 0.000 1.129 250 L HN -0.017 nan 8.230 nan 0.000 0.463 251 I N 5.967 126.435 120.570 -0.170 0.000 2.330 251 I HA 0.427 4.598 4.170 0.001 0.000 0.286 251 I C 0.450 176.522 176.117 -0.075 0.000 1.025 251 I CA -0.431 60.771 61.300 -0.163 0.000 1.197 251 I CB 0.371 38.228 38.000 -0.237 0.000 1.358 251 I HN 0.782 nan 8.210 nan 0.000 0.467 252 A N 9.542 132.283 122.820 -0.132 0.000 2.293 252 A HA 0.829 5.149 4.320 0.001 0.000 0.302 252 A C -2.475 175.084 177.584 -0.041 0.000 1.119 252 A CA -1.343 50.576 52.037 -0.197 0.000 0.823 252 A CB 0.299 19.124 19.000 -0.292 0.000 1.097 252 A HN 0.423 nan 8.150 nan 0.000 0.491 253 P HA 0.233 nan 4.420 nan 0.000 0.280 253 P C 0.061 177.355 177.300 -0.009 0.000 1.244 253 P CA -0.044 63.075 63.100 0.031 0.000 0.784 253 P CB 1.201 32.940 31.700 0.064 0.000 0.913 254 E N 1.872 122.072 120.200 -0.001 0.000 2.251 254 E HA 0.004 4.355 4.350 0.001 0.000 0.194 254 E C -0.339 175.973 176.600 -0.480 0.000 0.964 254 E CA 0.413 56.690 56.400 -0.205 0.000 0.868 254 E CB 0.129 29.701 29.700 -0.214 0.000 0.828 254 E HN 0.422 nan 8.360 nan 0.000 0.481 255 Y N -0.940 119.251 120.300 -0.181 0.000 2.567 255 Y HA 0.645 5.195 4.550 0.001 0.000 0.333 255 Y C 0.637 176.272 175.900 -0.442 0.000 1.106 255 Y CA -0.587 57.300 58.100 -0.354 0.000 1.157 255 Y CB 1.936 40.115 38.460 -0.470 0.000 1.277 255 Y HN -0.052 nan 8.280 nan 0.000 0.490 256 G N 0.009 108.575 108.800 -0.391 0.000 2.685 256 G HA2 0.673 4.634 3.960 0.001 0.000 0.298 256 G HA3 0.673 4.634 3.960 0.001 0.000 0.298 256 G C -2.103 172.390 174.900 -0.678 0.000 1.277 256 G CA -0.755 44.115 45.100 -0.383 0.000 0.986 256 G HN 0.365 nan 8.290 nan 0.000 0.487 257 F N 0.437 120.311 119.950 -0.128 0.000 2.496 257 F HA 0.408 4.936 4.527 0.001 0.000 0.341 257 F C 0.575 176.200 175.800 -0.292 0.000 1.134 257 F CA -0.800 56.987 58.000 -0.355 0.000 0.968 257 F CB 2.282 41.001 39.000 -0.468 0.000 1.205 257 F HN 0.084 nan 8.300 nan 0.000 0.436 258 K N 3.938 124.236 120.400 -0.170 0.000 2.451 258 K HA 0.403 4.723 4.320 0.001 0.000 0.280 258 K C -0.645 175.883 176.600 -0.119 0.000 1.020 258 K CA 0.188 56.416 56.287 -0.098 0.000 1.008 258 K CB 0.995 33.451 32.500 -0.073 0.000 0.917 258 K HN 0.653 nan 8.250 nan 0.000 0.478 259 I N 1.516 122.101 120.570 0.025 0.000 2.563 259 I HA 0.125 4.296 4.170 0.001 0.000 0.285 259 I C -1.348 174.813 176.117 0.073 0.000 1.123 259 I CA -0.121 61.247 61.300 0.114 0.000 1.059 259 I CB 1.598 39.745 38.000 0.246 0.000 1.229 259 I HN 0.457 nan 8.210 nan 0.000 0.442 260 S N 7.287 123.023 115.700 0.059 0.000 2.454 260 S HA 0.793 5.264 4.470 0.001 0.000 0.306 260 S C -1.095 173.491 174.600 -0.023 0.000 1.100 260 S CA -0.485 57.736 58.200 0.036 0.000 1.087 260 S CB 0.815 64.061 63.200 0.078 0.000 1.019 260 S HN 0.729 nan 8.310 nan 0.000 0.480 261 K N 2.731 123.109 120.400 -0.038 0.000 2.589 261 K HA 0.599 4.920 4.320 0.001 0.000 0.265 261 K C -0.422 176.140 176.600 -0.064 0.000 0.935 261 K CA -0.846 55.391 56.287 -0.084 0.000 0.850 261 K CB 1.296 33.725 32.500 -0.119 0.000 1.372 261 K HN 0.692 nan 8.250 nan 0.000 0.420 262 R N 0.528 120.979 120.500 -0.082 0.000 2.330 262 R HA 0.039 4.379 4.340 0.001 0.000 0.028 262 R C 0.258 176.478 176.300 -0.134 0.000 0.824 262 R CA 1.131 57.161 56.100 -0.116 0.000 3.402 262 R CB -1.196 29.008 30.300 -0.161 0.000 0.754 262 R HN 1.121 nan 8.270 nan 0.000 0.570 263 G N 0.262 108.971 108.800 -0.152 0.000 3.751 263 G HA2 0.140 4.101 3.960 0.001 0.000 0.216 263 G HA3 0.140 4.101 3.960 0.001 0.000 0.216 263 G C -0.257 174.532 174.900 -0.186 0.000 0.911 263 G CA 0.627 45.620 45.100 -0.178 0.000 0.869 263 G HN 1.047 nan 8.290 nan 0.000 0.462 264 S N -1.049 114.531 115.700 -0.200 0.000 3.152 264 S HA 0.084 4.555 4.470 0.001 0.000 0.857 264 S C 0.612 175.123 174.600 -0.149 0.000 1.044 264 S CA 1.494 59.562 58.200 -0.220 0.000 1.231 264 S CB -0.774 62.272 63.200 -0.257 0.000 0.871 264 S HN 2.087 nan 8.310 nan 0.000 0.252 265 S N 3.881 119.523 115.700 -0.097 0.000 3.385 265 S HA 0.920 5.391 4.470 0.001 0.000 0.176 265 S C 0.631 175.296 174.600 0.109 0.000 0.851 265 S CA 1.159 59.435 58.200 0.126 0.000 1.039 265 S CB 0.862 64.192 63.200 0.218 0.000 1.241 265 S HN 2.478 nan 8.310 nan 0.000 0.859 266 G N 0.270 109.130 108.800 0.100 0.000 2.316 266 G HA2 0.414 4.374 3.960 0.001 0.000 0.296 266 G HA3 0.414 4.374 3.960 0.001 0.000 0.296 266 G C -2.007 172.937 174.900 0.074 0.000 1.399 266 G CA -0.763 44.388 45.100 0.084 0.000 0.833 266 G HN 0.605 nan 8.290 nan 0.000 0.565 267 I N 0.730 121.312 120.570 0.019 0.000 2.412 267 I HA 0.512 4.683 4.170 0.001 0.000 0.296 267 I C 0.068 176.186 176.117 0.002 0.000 0.987 267 I CA -0.701 60.594 61.300 -0.008 0.000 1.180 267 I CB 1.946 39.897 38.000 -0.082 0.000 1.340 267 I HN 0.572 nan 8.210 nan 0.000 0.455 268 M N 6.953 126.578 119.600 0.041 0.000 2.101 268 M HA 0.347 4.828 4.480 0.001 0.000 0.340 268 M C -1.013 175.271 176.300 -0.028 0.000 1.057 268 M CA -0.467 54.845 55.300 0.020 0.000 0.984 268 M CB 0.677 33.338 32.600 0.102 0.000 1.560 268 M HN 0.240 nan 8.290 nan 0.000 0.435 269 K N 4.058 124.429 120.400 -0.049 0.000 2.262 269 K HA 0.297 4.618 4.320 0.001 0.000 0.288 269 K C -0.461 176.099 176.600 -0.067 0.000 1.090 269 K CA 0.002 56.255 56.287 -0.057 0.000 0.918 269 K CB 0.448 32.923 32.500 -0.041 0.000 1.139 269 K HN 0.808 nan 8.250 nan 0.000 0.462 270 T N 0.656 115.168 114.554 -0.070 0.000 2.812 270 T HA 0.320 4.670 4.350 0.001 0.000 0.294 270 T C 0.169 174.828 174.700 -0.068 0.000 1.159 270 T CA -0.457 61.599 62.100 -0.073 0.000 1.008 270 T CB 1.236 70.062 68.868 -0.069 0.000 1.289 270 T HN 0.388 nan 8.240 nan 0.000 0.514 271 E N 0.530 120.693 120.200 -0.062 0.000 2.330 271 E HA 0.237 4.588 4.350 0.001 0.000 0.200 271 E C 1.240 177.806 176.600 -0.056 0.000 0.922 271 E CA 0.237 56.604 56.400 -0.055 0.000 0.935 271 E CB -0.182 29.493 29.700 -0.042 0.000 0.917 271 E HN 0.749 nan 8.360 nan 0.000 0.491 272 G N 1.282 110.050 108.800 -0.053 0.000 2.525 272 G HA2 0.283 4.244 3.960 0.001 0.000 0.276 272 G HA3 0.283 4.244 3.960 0.001 0.000 0.276 272 G C 0.066 174.932 174.900 -0.058 0.000 1.388 272 G CA 0.477 45.549 45.100 -0.047 0.000 1.050 272 G HN 0.171 nan 8.290 nan 0.000 0.520 273 T N -3.021 111.503 114.554 -0.050 0.000 2.883 273 T HA 0.477 4.828 4.350 0.001 0.000 0.301 273 T C -0.562 174.108 174.700 -0.050 0.000 1.158 273 T CA -0.853 61.209 62.100 -0.063 0.000 1.007 273 T CB 1.659 70.490 68.868 -0.062 0.000 1.186 273 T HN 0.576 nan 8.240 nan 0.000 0.499 274 L N 1.705 122.888 121.223 -0.066 0.000 2.578 274 L HA 0.223 4.563 4.340 0.001 0.000 0.279 274 L C 0.806 177.658 176.870 -0.030 0.000 1.227 274 L CA 0.905 55.715 54.840 -0.049 0.000 0.900 274 L CB -0.290 41.723 42.059 -0.076 0.000 1.144 274 L HN 0.874 nan 8.230 nan 0.000 0.496 275 E N 3.415 123.608 120.200 -0.013 0.000 2.624 275 E HA 0.045 4.395 4.350 0.001 0.000 0.210 275 E C -0.155 176.443 176.600 -0.004 0.000 0.997 275 E CA -0.090 56.305 56.400 -0.009 0.000 0.999 275 E CB 0.060 29.757 29.700 -0.004 0.000 1.040 275 E HN 0.791 nan 8.360 nan 0.000 0.469 276 N N 1.290 119.989 118.700 -0.002 0.000 2.608 276 N HA -0.190 4.550 4.740 0.001 0.000 0.273 276 N C -0.772 174.743 175.510 0.007 0.000 1.133 276 N CA 0.706 53.758 53.050 0.004 0.000 0.726 276 N CB -1.511 36.977 38.487 0.000 0.000 0.890 276 N HN 0.386 nan 8.380 nan 0.000 0.548 277 c N -0.555 118.053 118.600 0.013 0.000 3.455 277 c HA 0.941 5.512 4.570 0.001 0.000 0.357 277 c C 0.057 174.158 174.090 0.018 0.000 3.109 277 c CA -0.729 55.608 56.329 0.012 0.000 1.483 277 c CB 1.191 43.706 42.510 0.009 0.000 3.542 277 c HN 0.719 nan 8.230 nan 0.000 0.511 278 E N -0.532 119.676 120.200 0.014 0.000 2.343 278 E HA 0.662 5.013 4.350 0.001 0.000 0.278 278 E C -1.154 175.448 176.600 0.004 0.000 0.910 278 E CA 0.224 56.634 56.400 0.016 0.000 0.757 278 E CB 2.097 31.805 29.700 0.013 0.000 1.218 278 E HN 1.040 nan 8.360 nan 0.000 0.435 279 T N 2.483 117.038 114.554 0.001 0.000 2.942 279 T HA 0.346 4.696 4.350 0.001 0.000 0.327 279 T C -0.260 174.419 174.700 -0.035 0.000 1.360 279 T CA -0.521 61.563 62.100 -0.026 0.000 1.055 279 T CB 1.119 69.960 68.868 -0.046 0.000 1.261 279 T HN 0.491 nan 8.240 nan 0.000 0.485 280 K N 0.690 121.058 120.400 -0.054 0.000 2.400 280 K HA 0.281 4.602 4.320 0.001 0.000 0.194 280 K C 0.160 176.678 176.600 -0.136 0.000 1.033 280 K CA 0.166 56.416 56.287 -0.062 0.000 1.021 280 K CB 0.270 32.739 32.500 -0.052 0.000 0.808 280 K HN 0.473 nan 8.250 nan 0.000 0.505 281 c N 1.273 119.777 118.600 -0.160 0.000 2.727 281 c HA 0.314 4.884 4.570 0.001 0.000 0.369 281 c C -1.549 172.403 174.090 -0.230 0.000 1.067 281 c CA -0.821 55.370 56.329 -0.230 0.000 1.273 281 c CB 0.637 43.017 42.510 -0.217 0.000 1.778 281 c HN 0.275 nan 8.230 nan 0.000 0.467 282 Q N 3.272 122.893 119.800 -0.299 0.000 2.282 282 Q HA 0.787 5.128 4.340 0.001 0.000 0.260 282 Q C 0.044 175.875 176.000 -0.281 0.000 0.964 282 Q CA 0.190 55.820 55.803 -0.288 0.000 0.880 282 Q CB 1.726 30.210 28.738 -0.422 0.000 1.286 282 Q HN 0.899 nan 8.270 nan 0.000 0.445 283 T N 0.443 114.864 114.554 -0.222 0.000 2.916 283 T HA 0.583 4.933 4.350 0.001 0.000 0.292 283 T C -2.178 172.366 174.700 -0.261 0.000 1.055 283 T CA -2.184 59.778 62.100 -0.231 0.000 1.009 283 T CB 1.516 70.273 68.868 -0.185 0.000 1.118 283 T HN 0.444 nan 8.240 nan 0.000 0.497 284 P HA 0.107 nan 4.420 nan 0.000 0.225 284 P C 1.236 178.342 177.300 -0.323 0.000 1.148 284 P CA 0.665 63.554 63.100 -0.353 0.000 0.779 284 P CB -0.004 31.384 31.700 -0.521 0.000 0.780 285 L N -3.034 117.956 121.223 -0.387 0.000 2.477 285 L HA 0.351 4.691 4.340 0.001 0.000 0.220 285 L C 1.142 177.845 176.870 -0.278 0.000 1.106 285 L CA 0.284 54.879 54.840 -0.409 0.000 0.851 285 L CB -0.392 41.248 42.059 -0.699 0.000 0.994 285 L HN 0.063 nan 8.230 nan 0.000 0.462 286 G N -0.555 108.146 108.800 -0.165 0.000 2.352 286 G HA2 0.361 4.322 3.960 0.001 0.000 0.302 286 G HA3 0.361 4.322 3.960 0.001 0.000 0.302 286 G C -1.465 173.424 174.900 -0.017 0.000 1.370 286 G CA -0.369 44.733 45.100 0.004 0.000 0.918 286 G HN 0.061 nan 8.290 nan 0.000 0.610 287 A N -0.550 122.271 122.820 0.000 0.000 2.332 287 A HA 0.780 5.100 4.320 0.001 0.000 0.258 287 A C 0.212 177.784 177.584 -0.020 0.000 1.087 287 A CA -0.204 51.811 52.037 -0.037 0.000 0.802 287 A CB 0.256 19.237 19.000 -0.032 0.000 1.042 287 A HN 0.980 nan 8.150 nan 0.000 0.489 288 I N 1.703 122.232 120.570 -0.068 0.000 2.410 288 I HA 0.196 4.367 4.170 0.001 0.000 0.286 288 I C -0.430 175.648 176.117 -0.065 0.000 1.009 288 I CA -0.531 60.729 61.300 -0.067 0.000 1.111 288 I CB 1.713 39.633 38.000 -0.133 0.000 1.262 288 I HN 0.633 nan 8.210 nan 0.000 0.443 289 N N 4.708 123.383 118.700 -0.042 0.000 2.955 289 N HA 0.279 5.019 4.740 0.001 0.000 0.242 289 N C -0.860 174.630 175.510 -0.034 0.000 1.123 289 N CA 0.116 53.144 53.050 -0.038 0.000 0.949 289 N CB 0.748 39.220 38.487 -0.026 0.000 1.214 289 N HN 0.638 nan 8.380 nan 0.000 0.504 290 T N -0.464 114.063 114.554 -0.045 0.000 2.865 290 T HA 0.433 4.784 4.350 0.001 0.000 0.294 290 T C 0.460 175.133 174.700 -0.046 0.000 1.119 290 T CA -0.344 61.734 62.100 -0.037 0.000 1.007 290 T CB 1.507 70.358 68.868 -0.030 0.000 1.225 290 T HN 0.267 nan 8.240 nan 0.000 0.515 291 T N 1.377 115.907 114.554 -0.040 0.000 2.969 291 T HA 0.385 4.735 4.350 0.001 0.000 0.258 291 T C 0.460 175.120 174.700 -0.067 0.000 0.962 291 T CA -0.142 61.928 62.100 -0.051 0.000 0.903 291 T CB -0.274 68.573 68.868 -0.036 0.000 1.177 291 T HN 0.474 nan 8.240 nan 0.000 0.511 292 L N 2.477 123.670 121.223 -0.050 0.000 2.506 292 L HA 0.233 4.573 4.340 0.001 0.000 0.281 292 L C -1.416 175.365 176.870 -0.148 0.000 1.228 292 L CA -1.319 53.484 54.840 -0.061 0.000 0.850 292 L CB 0.283 42.344 42.059 0.003 0.000 1.110 292 L HN 0.072 nan 8.230 nan 0.000 0.496 293 P HA 0.014 nan 4.420 nan 0.000 0.231 293 P C -0.489 176.274 177.300 -0.895 0.000 1.168 293 P CA 1.025 63.733 63.100 -0.653 0.000 0.779 293 P CB 0.251 31.400 31.700 -0.918 0.000 0.844 294 F N -1.159 118.733 119.950 -0.097 0.000 2.588 294 F HA 0.542 5.069 4.527 0.000 0.000 0.314 294 F C 0.746 176.547 175.800 0.003 0.000 1.069 294 F CA -1.026 56.910 58.000 -0.106 0.000 0.931 294 F CB 1.452 40.371 39.000 -0.134 0.000 1.260 294 F HN -0.127 nan 8.300 nan 0.000 0.465 295 H N -0.766 118.374 119.070 0.117 0.000 2.960 295 H HA 0.547 5.103 4.556 0.001 0.000 0.338 295 H C -1.008 174.350 175.328 0.050 0.000 1.261 295 H CA -1.038 55.059 56.048 0.082 0.000 1.136 295 H CB 1.684 31.494 29.762 0.081 0.000 1.875 295 H HN 0.437 nan 8.280 nan 0.000 0.550 296 N N 0.819 119.546 118.700 0.044 0.000 2.286 296 N HA 0.013 4.754 4.740 0.001 0.000 0.245 296 N C -0.112 175.587 175.510 0.315 0.000 1.363 296 N CA 0.099 53.099 53.050 -0.082 0.000 0.822 296 N CB -0.032 38.358 38.487 -0.161 0.000 1.345 296 N HN 0.366 nan 8.380 nan 0.000 0.494 297 V N 0.454 120.723 119.914 0.591 0.000 2.233 297 V HA -0.093 4.028 4.120 0.001 0.000 0.247 297 V C 0.646 176.982 176.094 0.404 0.000 1.050 297 V CA 1.860 64.415 62.300 0.426 0.000 1.010 297 V CB -0.619 31.395 31.823 0.319 0.000 0.637 297 V HN 0.664 nan 8.190 nan 0.000 0.444 298 H N -2.408 116.859 119.070 0.327 0.000 3.114 298 H HA 0.192 4.748 4.556 0.001 0.000 0.325 298 H C -2.564 172.616 175.328 -0.247 0.000 1.206 298 H CA -0.872 55.196 56.048 0.033 0.000 1.316 298 H CB 2.150 31.882 29.762 -0.049 0.000 1.981 298 H HN -0.079 nan 8.280 nan 0.000 0.527 299 P HA 0.036 nan 4.420 nan 0.000 0.219 299 P C 0.645 177.813 177.300 -0.220 0.000 1.150 299 P CA 0.797 63.383 63.100 -0.857 0.000 0.814 299 P CB 0.440 31.672 31.700 -0.779 0.000 0.787 300 L N 0.554 121.841 121.223 0.107 0.000 2.536 300 L HA 0.188 4.528 4.340 0.001 0.000 0.242 300 L C 0.856 177.715 176.870 -0.018 0.000 1.280 300 L CA -0.385 54.491 54.840 0.061 0.000 1.221 300 L CB -0.900 41.223 42.059 0.108 0.000 1.449 300 L HN 0.067 nan 8.230 nan 0.000 0.405 301 T N -1.505 113.014 114.554 -0.058 0.000 2.816 301 T HA 0.650 5.000 4.350 0.001 0.000 0.282 301 T C -0.054 174.523 174.700 -0.205 0.000 0.993 301 T CA -0.469 61.545 62.100 -0.143 0.000 0.994 301 T CB 2.131 70.916 68.868 -0.139 0.000 1.025 301 T HN 0.203 nan 8.240 nan 0.000 0.529 302 I N 1.089 121.469 120.570 -0.317 0.000 2.586 302 I HA 0.595 4.765 4.170 0.001 0.000 0.288 302 I C 0.553 176.323 176.117 -0.578 0.000 1.147 302 I CA -0.438 60.614 61.300 -0.414 0.000 1.047 302 I CB 1.383 39.120 38.000 -0.438 0.000 1.244 302 I HN 1.228 nan 8.210 nan 0.000 0.429 303 G N 5.598 113.866 108.800 -0.886 0.000 2.236 303 G HA2 -0.031 3.929 3.960 0.001 0.000 0.231 303 G HA3 -0.031 3.929 3.960 0.001 0.000 0.231 303 G C -1.397 173.035 174.900 -0.780 0.000 1.334 303 G CA -0.832 43.629 45.100 -1.065 0.000 1.137 303 G HN 0.549 nan 8.290 nan 0.000 0.482 304 E N 0.032 119.989 120.200 -0.406 0.000 2.073 304 E HA 0.538 4.889 4.350 0.001 0.000 0.269 304 E C -0.600 175.887 176.600 -0.187 0.000 0.917 304 E CA -0.475 55.794 56.400 -0.218 0.000 0.757 304 E CB 1.239 30.887 29.700 -0.087 0.000 1.111 304 E HN 0.601 nan 8.360 nan 0.000 0.410 305 c N 3.450 121.946 118.600 -0.174 0.000 2.719 305 c HA 0.557 5.127 4.570 0.001 0.000 0.327 305 c C -2.096 171.931 174.090 -0.105 0.000 1.238 305 c CA -1.757 54.481 56.329 -0.152 0.000 1.727 305 c CB 1.141 43.558 42.510 -0.155 0.000 2.256 305 c HN 0.600 nan 8.230 nan 0.000 0.489 306 P HA 0.233 nan 4.420 nan 0.000 0.273 306 P C -0.983 176.307 177.300 -0.018 0.000 1.250 306 P CA -0.316 62.742 63.100 -0.071 0.000 0.793 306 P CB 0.392 32.108 31.700 0.026 0.000 1.011 307 K N 0.679 120.912 120.400 -0.278 0.000 2.368 307 K HA 0.140 4.460 4.320 0.001 0.000 0.282 307 K C -0.500 176.061 176.600 -0.065 0.000 1.035 307 K CA 0.021 56.127 56.287 -0.301 0.000 0.973 307 K CB -0.632 31.270 32.500 -0.998 0.000 0.957 307 K HN 0.354 nan 8.250 nan 0.000 0.474 308 Y N 2.936 123.134 120.300 -0.169 0.000 2.377 308 Y HA 0.345 4.895 4.550 0.000 0.000 0.330 308 Y C -0.400 175.432 175.900 -0.113 0.000 1.108 308 Y CA -0.054 57.835 58.100 -0.351 0.000 1.308 308 Y CB 0.565 38.898 38.460 -0.212 0.000 1.216 308 Y HN 0.288 nan 8.280 nan 0.000 0.518 309 V N 6.875 126.295 119.914 -0.823 0.000 3.007 309 V HA 0.251 4.372 4.120 0.001 0.000 0.311 309 V C -0.208 175.472 176.094 -0.691 0.000 1.120 309 V CA -1.350 60.645 62.300 -0.509 0.000 0.980 309 V CB 2.170 33.800 31.823 -0.321 0.000 1.033 309 V HN 0.724 nan 8.190 nan 0.000 0.429 310 K N 1.768 121.944 120.400 -0.372 0.000 2.862 310 K HA 0.312 4.632 4.320 0.001 0.000 0.229 310 K C 0.070 176.559 176.600 -0.185 0.000 1.107 310 K CA 0.063 56.192 56.287 -0.263 0.000 1.222 310 K CB 0.036 32.465 32.500 -0.118 0.000 1.067 310 K HN 0.635 nan 8.250 nan 0.000 0.464 311 S N 0.168 115.740 115.700 -0.214 0.000 2.593 311 S HA 0.196 4.667 4.470 0.001 0.000 0.297 311 S C 0.364 174.901 174.600 -0.105 0.000 1.112 311 S CA -0.766 57.346 58.200 -0.147 0.000 1.043 311 S CB 1.766 64.865 63.200 -0.168 0.000 1.054 311 S HN 0.350 nan 8.310 nan 0.000 0.516 312 E N 0.822 120.981 120.200 -0.069 0.000 2.216 312 E HA 0.060 4.410 4.350 0.001 0.000 0.192 312 E C -0.307 176.275 176.600 -0.030 0.000 0.973 312 E CA 0.502 56.879 56.400 -0.039 0.000 0.851 312 E CB 0.328 30.013 29.700 -0.026 0.000 0.804 312 E HN 0.571 nan 8.360 nan 0.000 0.477 313 K N 0.130 120.506 120.400 -0.041 0.000 2.543 313 K HA 0.429 4.750 4.320 0.001 0.000 0.255 313 K C -1.200 175.371 176.600 -0.048 0.000 0.934 313 K CA -0.443 55.826 56.287 -0.031 0.000 0.810 313 K CB 1.359 33.849 32.500 -0.018 0.000 1.315 313 K HN -0.141 nan 8.250 nan 0.000 0.433 314 L N 2.969 124.169 121.223 -0.038 0.000 2.435 314 L HA 0.315 4.655 4.340 0.001 0.000 0.253 314 L C -0.948 175.916 176.870 -0.010 0.000 1.087 314 L CA -1.032 53.780 54.840 -0.046 0.000 0.950 314 L CB 1.553 43.571 42.059 -0.068 0.000 1.304 314 L HN 0.456 nan 8.230 nan 0.000 0.453 315 V N 3.043 122.950 119.914 -0.010 0.000 2.339 315 V HA 0.192 4.312 4.120 0.001 0.000 0.261 315 V C 0.415 176.515 176.094 0.010 0.000 1.058 315 V CA -0.478 61.826 62.300 0.007 0.000 0.897 315 V CB 1.200 33.027 31.823 0.007 0.000 1.052 315 V HN 0.347 nan 8.190 nan 0.000 0.480 316 L N 4.628 125.864 121.223 0.022 0.000 2.426 316 L HA 0.513 4.854 4.340 0.001 0.000 0.271 316 L C 0.742 177.635 176.870 0.037 0.000 1.169 316 L CA 0.429 55.283 54.840 0.024 0.000 0.836 316 L CB 0.996 43.073 42.059 0.030 0.000 1.112 316 L HN 0.741 nan 8.230 nan 0.000 0.465 317 A N 2.291 125.132 122.820 0.035 0.000 2.309 317 A HA 0.562 4.883 4.320 0.001 0.000 0.298 317 A C 0.756 178.386 177.584 0.077 0.000 1.165 317 A CA 0.260 52.331 52.037 0.057 0.000 0.821 317 A CB 0.346 19.372 19.000 0.044 0.000 1.102 317 A HN 0.908 nan 8.150 nan 0.000 0.500 318 T N 0.328 114.960 114.554 0.130 0.000 3.056 318 T HA 0.369 4.719 4.350 0.001 0.000 0.243 318 T C 1.103 175.907 174.700 0.175 0.000 0.995 318 T CA 0.641 62.840 62.100 0.165 0.000 1.091 318 T CB -0.405 68.595 68.868 0.220 0.000 0.990 318 T HN 0.938 nan 8.240 nan 0.000 0.464 319 G N 1.958 110.848 108.800 0.149 0.000 2.531 319 G HA2 0.666 4.626 3.960 0.001 0.000 0.281 319 G HA3 0.666 4.626 3.960 0.001 0.000 0.281 319 G C -0.265 174.323 174.900 -0.520 0.000 1.382 319 G CA -1.022 43.930 45.100 -0.247 0.000 1.045 319 G HN 0.664 nan 8.290 nan 0.000 0.533 320 L N -2.226 118.394 121.223 -1.005 0.000 2.416 320 L HA 0.695 5.036 4.340 0.001 0.000 0.263 320 L C 0.862 177.567 176.870 -0.275 0.000 1.065 320 L CA -1.251 53.097 54.840 -0.820 0.000 0.798 320 L CB 0.736 42.152 42.059 -1.072 0.000 1.267 320 L HN 0.460 nan 8.230 nan 0.000 0.467 321 R N 1.232 121.613 120.500 -0.198 0.000 2.585 321 R HA 0.012 4.352 4.340 0.001 0.000 0.275 321 R C -0.543 175.720 176.300 -0.061 0.000 1.018 321 R CA -0.092 55.945 56.100 -0.105 0.000 1.072 321 R CB 0.214 30.444 30.300 -0.117 0.000 0.953 321 R HN 0.769 nan 8.270 nan 0.000 0.419 322 N N 3.118 121.811 118.700 -0.012 0.000 2.419 322 N HA 0.179 4.919 4.740 0.001 0.000 0.264 322 N C -1.446 174.075 175.510 0.018 0.000 1.031 322 N CA -0.399 52.663 53.050 0.020 0.000 0.951 322 N CB 1.491 39.992 38.487 0.023 0.000 1.101 322 N HN 0.335 nan 8.380 nan 0.000 0.488 323 V N 5.340 125.279 119.914 0.042 0.000 2.462 323 V HA 0.334 4.455 4.120 0.001 0.000 0.257 323 V C -2.212 173.881 176.094 -0.000 0.000 0.944 323 V CA -1.308 61.012 62.300 0.034 0.000 0.903 323 V CB 0.703 32.582 31.823 0.092 0.000 1.128 323 V HN 0.588 nan 8.190 nan 0.000 0.486 324 P HA 0.470 nan 4.420 nan 0.000 0.271 324 P C 0.332 177.624 177.300 -0.014 0.000 1.244 324 P CA 1.365 64.450 63.100 -0.024 0.000 0.793 324 P CB 0.387 32.073 31.700 -0.022 0.000 0.984 331 L N -0.732 120.474 121.223 -0.027 0.000 2.592 331 L HA 0.568 4.909 4.340 0.001 0.000 0.227 331 L C 0.858 177.529 176.870 -0.332 0.000 1.127 331 L CA 0.831 55.579 54.840 -0.154 0.000 0.884 331 L CB -0.182 41.769 42.059 -0.180 0.000 1.065 331 L HN 0.396 nan 8.230 nan 0.000 0.457 332 F N -1.032 118.879 119.950 -0.066 0.000 2.729 332 F HA 0.424 4.952 4.527 0.001 0.000 0.315 332 F C 1.697 177.470 175.800 -0.045 0.000 1.102 332 F CA 0.170 58.142 58.000 -0.046 0.000 1.204 332 F CB 0.414 39.379 39.000 -0.059 0.000 1.052 332 F HN -0.008 nan 8.300 nan 0.000 0.551 333 G N 0.801 109.618 108.800 0.029 0.000 2.179 333 G HA2 -0.287 3.674 3.960 0.001 0.000 0.257 333 G HA3 -0.287 3.674 3.960 0.001 0.000 0.257 333 G C 0.922 175.696 174.900 -0.211 0.000 1.010 333 G CA 0.568 45.654 45.100 -0.022 0.000 0.736 333 G HN 0.574 nan 8.290 nan 0.000 0.513 334 A N -0.611 122.003 122.820 -0.343 0.000 1.963 334 A HA 0.673 4.993 4.320 0.001 0.000 0.211 334 A C 1.166 178.393 177.584 -0.595 0.000 1.380 334 A CA 0.637 52.205 52.037 -0.780 0.000 0.690 334 A CB 0.166 18.825 19.000 -0.568 0.000 1.060 334 A HN 0.672 nan 8.150 nan 0.000 0.498 335 I N 0.608 120.890 120.570 -0.479 0.000 2.598 335 I HA 0.266 4.436 4.170 0.001 0.000 0.284 335 I C 1.181 177.117 176.117 -0.301 0.000 1.140 335 I CA 0.676 61.636 61.300 -0.567 0.000 1.420 335 I CB 0.749 38.316 38.000 -0.723 0.000 1.387 335 I HN 0.632 nan 8.210 nan 0.000 0.553 336 A N 4.348 127.072 122.820 -0.159 0.000 2.822 336 A HA -0.132 4.189 4.320 0.001 0.000 0.287 336 A C 0.680 178.198 177.584 -0.109 0.000 1.479 336 A CA 0.965 52.948 52.037 -0.091 0.000 0.779 336 A CB -2.056 16.890 19.000 -0.090 0.000 1.022 336 A HN 1.064 nan 8.150 nan 0.000 0.532 337 G N -1.445 107.258 108.800 -0.161 0.000 3.366 337 G HA2 0.565 4.526 3.960 0.001 0.000 0.179 337 G HA3 0.565 4.526 3.960 0.001 0.000 0.179 337 G C 0.603 175.427 174.900 -0.128 0.000 1.143 337 G CA 0.171 45.176 45.100 -0.158 0.000 0.810 337 G HN 1.159 nan 8.290 nan 0.000 0.697 338 F N 0.752 120.648 119.950 -0.090 0.000 2.216 338 F HA 0.303 4.831 4.527 0.002 0.000 0.300 338 F C 1.229 176.953 175.800 -0.127 0.000 1.085 338 F CA 0.276 58.204 58.000 -0.119 0.000 1.326 338 F CB -0.552 38.348 39.000 -0.166 0.000 1.027 338 F HN -0.049 nan 8.300 nan 0.000 0.497 339 I N 2.643 122.936 120.570 -0.461 0.000 2.243 339 I HA 0.030 4.201 4.170 0.001 0.000 0.297 339 I C 0.991 177.042 176.117 -0.110 0.000 1.161 339 I CA 0.023 61.190 61.300 -0.222 0.000 1.298 339 I CB 0.121 37.956 38.000 -0.275 0.000 1.475 339 I HN 0.284 nan 8.210 nan 0.000 0.561 340 E N 3.885 124.053 120.200 -0.053 0.000 2.097 340 E HA -0.130 4.221 4.350 0.001 0.000 0.196 340 E C 1.126 177.719 176.600 -0.013 0.000 1.000 340 E CA 0.884 57.267 56.400 -0.028 0.000 0.804 340 E CB 0.103 29.800 29.700 -0.006 0.000 0.740 340 E HN 0.754 nan 8.360 nan 0.000 0.454 341 G N -0.483 108.285 108.800 -0.055 0.000 2.725 341 G HA2 0.524 4.485 3.960 0.001 0.000 0.288 341 G HA3 0.524 4.485 3.960 0.001 0.000 0.288 341 G C -0.738 173.932 174.900 -0.383 0.000 1.399 341 G CA -0.275 44.778 45.100 -0.078 0.000 0.859 341 G HN 0.182 nan 8.290 nan 0.000 0.479 342 G N -1.500 107.083 108.800 -0.362 0.000 2.488 342 G HA2 0.515 4.475 3.960 0.001 0.000 0.318 342 G HA3 0.515 4.475 3.960 0.001 0.000 0.318 342 G C -1.123 173.543 174.900 -0.389 0.000 1.188 342 G CA -0.591 44.068 45.100 -0.735 0.000 0.944 342 G HN 0.390 nan 8.290 nan 0.000 0.495 343 W N 0.681 121.712 121.300 -0.449 0.000 2.329 343 W HA 0.370 5.029 4.660 -0.001 0.000 0.312 343 W C 1.013 177.283 176.519 -0.414 0.000 1.054 343 W CA -0.936 56.159 57.345 -0.416 0.000 1.245 343 W CB 0.978 30.102 29.460 -0.561 0.000 1.255 343 W HN 0.691 nan 8.180 nan 0.000 0.436 344 Q N 1.745 121.484 119.800 -0.102 0.000 2.230 344 Q HA -0.041 4.300 4.340 0.001 0.000 0.202 344 Q C 2.089 177.991 176.000 -0.163 0.000 0.963 344 Q CA 1.260 56.968 55.803 -0.159 0.000 0.866 344 Q CB 0.063 28.749 28.738 -0.086 0.000 0.931 344 Q HN 0.730 nan 8.270 nan 0.000 0.452 345 G N 1.414 110.080 108.800 -0.224 0.000 2.408 345 G HA2 -0.161 3.800 3.960 0.001 0.000 0.217 345 G HA3 -0.161 3.800 3.960 0.001 0.000 0.217 345 G C 0.810 175.514 174.900 -0.327 0.000 1.150 345 G CA -0.087 44.895 45.100 -0.196 0.000 0.776 345 G HN 0.244 nan 8.290 nan 0.000 0.542 346 M N 2.177 121.415 119.600 -0.604 0.000 2.266 346 M HA 0.335 4.816 4.480 0.001 0.000 0.340 346 M C 0.687 177.039 176.300 0.086 0.000 1.486 346 M CA -0.221 54.967 55.300 -0.188 0.000 1.209 346 M CB 1.070 33.660 32.600 -0.016 0.000 1.714 346 M HN 0.029 nan 8.290 nan 0.000 0.459 347 V N 1.293 121.286 119.914 0.131 0.000 3.346 347 V HA 0.258 4.379 4.120 0.001 0.000 0.309 347 V C 0.332 176.479 176.094 0.087 0.000 1.457 347 V CA 0.021 62.441 62.300 0.201 0.000 1.069 347 V CB -0.041 31.868 31.823 0.143 0.000 0.944 347 V HN 0.853 nan 8.190 nan 0.000 0.449 348 D N 0.651 121.085 120.400 0.057 0.000 2.491 348 D HA 0.523 5.164 4.640 0.001 0.000 0.228 348 D C 0.732 176.974 176.300 -0.095 0.000 1.183 348 D CA 0.741 54.729 54.000 -0.020 0.000 0.827 348 D CB 0.831 41.644 40.800 0.021 0.000 0.989 348 D HN 0.830 nan 8.370 nan 0.000 0.494 349 G N -0.587 108.111 108.800 -0.171 0.000 2.368 349 G HA2 -0.037 3.924 3.960 0.001 0.000 0.302 349 G HA3 -0.037 3.924 3.960 0.001 0.000 0.302 349 G C -0.767 173.980 174.900 -0.256 0.000 1.329 349 G CA -0.782 44.135 45.100 -0.305 0.000 0.935 349 G HN -0.020 nan 8.290 nan 0.000 0.590 350 W N -0.297 120.758 121.300 -0.410 0.000 2.539 350 W HA 0.306 4.971 4.660 0.008 0.000 0.281 350 W C 0.537 176.692 176.519 -0.607 0.000 1.220 350 W CA 0.733 57.695 57.345 -0.637 0.000 1.332 350 W CB -0.359 28.450 29.460 -1.085 0.000 1.095 350 W HN 0.441 nan 8.180 nan 0.000 0.571 351 Y N -0.748 119.696 120.300 0.240 0.000 2.536 351 Y HA 0.751 5.303 4.550 0.004 0.000 0.347 351 Y C 0.715 176.667 175.900 0.087 0.000 1.000 351 Y CA -0.804 57.369 58.100 0.121 0.000 1.051 351 Y CB 1.420 39.913 38.460 0.053 0.000 1.259 351 Y HN -0.138 nan 8.280 nan 0.000 0.468 352 G N -0.038 108.867 108.800 0.174 0.000 2.427 352 G HA2 0.514 4.474 3.960 0.001 0.000 0.306 352 G HA3 0.514 4.474 3.960 0.001 0.000 0.306 352 G C -2.393 172.580 174.900 0.122 0.000 1.280 352 G CA -0.851 44.350 45.100 0.169 0.000 0.837 352 G HN 0.413 nan 8.290 nan 0.000 0.482 353 Y N -1.981 118.656 120.300 0.561 0.000 2.633 353 Y HA 0.720 5.270 4.550 -0.000 0.000 0.339 353 Y C 0.717 176.940 175.900 0.538 0.000 1.045 353 Y CA -0.603 57.840 58.100 0.573 0.000 1.098 353 Y CB 2.300 40.978 38.460 0.364 0.000 1.296 353 Y HN 0.715 nan 8.280 nan 0.000 0.494 354 H N -0.606 118.748 119.070 0.473 0.000 3.622 354 H HA 0.078 4.635 4.556 0.000 0.000 0.259 354 H C -0.249 175.170 175.328 0.152 0.000 1.145 354 H CA 0.430 56.553 56.048 0.126 0.000 1.178 354 H CB 0.183 29.774 29.762 -0.286 0.000 1.542 354 H HN 0.685 nan 8.280 nan 0.000 0.586 355 H N 0.473 119.571 119.070 0.046 0.000 2.170 355 H HA -0.169 4.388 4.556 0.001 0.000 0.282 355 H C -1.302 173.877 175.328 -0.249 0.000 0.750 355 H CA 1.214 57.240 56.048 -0.037 0.000 0.934 355 H CB -1.143 28.606 29.762 -0.021 0.000 1.475 355 H HN 0.308 nan 8.280 nan 0.000 0.256 356 S N 3.919 119.346 115.700 -0.456 0.000 2.502 356 S HA 0.623 5.094 4.470 0.001 0.000 0.304 356 S C -0.356 174.083 174.600 -0.269 0.000 1.097 356 S CA -0.107 57.799 58.200 -0.490 0.000 1.045 356 S CB 0.838 63.856 63.200 -0.303 0.000 1.019 356 S HN 1.035 nan 8.310 nan 0.000 0.481 357 N N 1.448 119.989 118.700 -0.265 0.000 3.127 357 N HA 0.240 4.981 4.740 0.001 0.000 0.239 357 N C -1.202 174.240 175.510 -0.114 0.000 1.407 357 N CA -0.865 52.096 53.050 -0.148 0.000 0.891 357 N CB 0.399 38.813 38.487 -0.121 0.000 1.447 357 N HN 0.298 nan 8.380 nan 0.000 0.507 358 D N -0.399 119.957 120.400 -0.073 0.000 2.379 358 D HA -0.059 4.582 4.640 0.001 0.000 0.243 358 D C 0.316 176.589 176.300 -0.046 0.000 1.088 358 D CA 0.654 54.622 54.000 -0.054 0.000 0.925 358 D CB -0.138 40.641 40.800 -0.035 0.000 0.888 358 D HN 0.607 nan 8.370 nan 0.000 0.529 359 Q N -0.171 119.599 119.800 -0.050 0.000 2.189 359 Q HA 0.414 4.754 4.340 0.001 0.000 0.223 359 Q C 0.570 176.549 176.000 -0.035 0.000 0.828 359 Q CA -0.012 55.772 55.803 -0.031 0.000 0.967 359 Q CB 1.518 30.250 28.738 -0.011 0.000 1.139 359 Q HN 0.286 nan 8.270 nan 0.000 0.497 360 G N -0.026 108.727 108.800 -0.079 0.000 2.339 360 G HA2 -0.022 3.939 3.960 0.001 0.000 0.381 360 G HA3 -0.022 3.939 3.960 0.001 0.000 0.381 360 G C -0.677 174.081 174.900 -0.238 0.000 1.400 360 G CA -0.550 44.486 45.100 -0.106 0.000 1.002 360 G HN -0.019 nan 8.290 nan 0.000 0.633 361 S N -1.159 114.391 115.700 -0.249 0.000 3.164 361 S HA 0.823 5.293 4.470 0.001 0.000 0.198 361 S C 0.942 175.289 174.600 -0.423 0.000 1.108 361 S CA 1.404 59.344 58.200 -0.434 0.000 1.501 361 S CB 0.085 63.110 63.200 -0.292 0.000 0.788 361 S HN 2.675 nan 8.310 nan 0.000 0.552 362 G N 0.274 108.860 108.800 -0.356 0.000 3.209 362 G HA2 -0.123 3.837 3.960 0.001 0.000 0.686 362 G HA3 -0.123 3.837 3.960 0.001 0.000 0.686 362 G C -1.080 173.804 174.900 -0.027 0.000 1.065 362 G CA -0.864 44.138 45.100 -0.164 0.000 0.812 362 G HN 0.434 nan 8.290 nan 0.000 0.573 363 Y N 0.505 120.919 120.300 0.189 0.000 2.359 363 Y HA 0.495 5.045 4.550 0.001 0.000 0.330 363 Y C 1.104 177.121 175.900 0.196 0.000 1.143 363 Y CA 0.468 58.684 58.100 0.192 0.000 1.318 363 Y CB 1.336 39.856 38.460 0.101 0.000 1.234 363 Y HN 0.974 nan 8.280 nan 0.000 0.522 364 A N 2.141 125.221 122.820 0.433 0.000 2.337 364 A HA 0.887 5.207 4.320 0.001 0.000 0.331 364 A C -0.839 177.009 177.584 0.440 0.000 1.137 364 A CA -0.608 51.640 52.037 0.352 0.000 0.807 364 A CB 0.811 19.967 19.000 0.260 0.000 1.250 364 A HN 0.799 nan 8.150 nan 0.000 0.468 365 A N 0.831 123.845 122.820 0.323 0.000 2.325 365 A HA 0.601 4.922 4.320 0.001 0.000 0.333 365 A C -0.629 177.146 177.584 0.318 0.000 1.155 365 A CA -0.454 51.759 52.037 0.293 0.000 0.814 365 A CB 0.635 19.737 19.000 0.170 0.000 1.206 365 A HN 0.817 nan 8.150 nan 0.000 0.482 366 D N 1.288 121.877 120.400 0.315 0.000 2.402 366 D HA 0.247 4.887 4.640 0.001 0.000 0.235 366 D C 0.985 177.414 176.300 0.214 0.000 1.226 366 D CA 0.184 54.380 54.000 0.327 0.000 0.918 366 D CB 0.394 41.355 40.800 0.269 0.000 1.043 366 D HN 0.494 nan 8.370 nan 0.000 0.506 367 K N 2.221 122.715 120.400 0.157 0.000 2.155 367 K HA -0.136 4.184 4.320 0.001 0.000 0.203 367 K C 1.615 178.272 176.600 0.095 0.000 1.052 367 K CA 0.594 56.932 56.287 0.086 0.000 0.948 367 K CB 0.222 32.748 32.500 0.044 0.000 0.728 367 K HN 0.500 nan 8.250 nan 0.000 0.448 368 E N 0.955 121.225 120.200 0.117 0.000 2.058 368 E HA -0.207 4.143 4.350 0.001 0.000 0.194 368 E C 1.882 178.564 176.600 0.137 0.000 0.997 368 E CA 1.806 58.272 56.400 0.111 0.000 0.801 368 E CB 0.063 29.826 29.700 0.106 0.000 0.746 368 E HN 0.264 nan 8.360 nan 0.000 0.450 369 S N -1.240 114.564 115.700 0.173 0.000 2.496 369 S HA -0.007 4.464 4.470 0.001 0.000 0.224 369 S C 1.895 176.710 174.600 0.359 0.000 0.996 369 S CA 0.964 59.286 58.200 0.204 0.000 0.927 369 S CB 0.076 63.361 63.200 0.140 0.000 0.774 369 S HN 0.150 nan 8.310 nan 0.000 0.524 370 T N 1.583 116.325 114.554 0.314 0.000 2.904 370 T HA 0.031 4.382 4.350 0.001 0.000 0.267 370 T C 1.845 176.659 174.700 0.190 0.000 1.059 370 T CA 1.378 63.624 62.100 0.244 0.000 1.137 370 T CB -0.282 68.592 68.868 0.011 0.000 0.879 370 T HN 0.362 nan 8.240 nan 0.000 0.467 371 Q N 1.363 121.250 119.800 0.145 0.000 2.046 371 Q HA 0.009 4.349 4.340 0.001 0.000 0.200 371 Q C 2.215 178.364 176.000 0.249 0.000 0.975 371 Q CA 1.543 57.436 55.803 0.150 0.000 0.836 371 Q CB -0.250 28.543 28.738 0.091 0.000 0.896 371 Q HN 0.204 nan 8.270 nan 0.000 0.428 372 K N 0.053 120.592 120.400 0.231 0.000 2.015 372 K HA -0.163 4.157 4.320 0.001 0.000 0.216 372 K C 1.830 178.646 176.600 0.360 0.000 1.052 372 K CA 1.925 58.358 56.287 0.244 0.000 0.937 372 K CB -0.904 31.712 32.500 0.193 0.000 0.719 372 K HN 0.239 nan 8.250 nan 0.000 0.446 373 A N -0.221 122.872 122.820 0.454 0.000 1.892 373 A HA -0.192 4.129 4.320 0.001 0.000 0.218 373 A C 2.278 180.296 177.584 0.723 0.000 1.188 373 A CA 1.918 54.335 52.037 0.632 0.000 0.631 373 A CB -1.013 18.418 19.000 0.717 0.000 0.822 373 A HN 0.504 nan 8.150 nan 0.000 0.447 374 F N 0.993 121.247 119.950 0.507 0.000 2.186 374 F HA -0.151 4.374 4.527 -0.002 0.000 0.299 374 F C 1.746 177.674 175.800 0.212 0.000 1.090 374 F CA 1.977 60.174 58.000 0.329 0.000 1.307 374 F CB -0.078 38.894 39.000 -0.048 0.000 1.019 374 F HN 0.234 nan 8.300 nan 0.000 0.489 375 D N 0.047 120.607 120.400 0.267 0.000 2.144 375 D HA -0.089 4.551 4.640 0.001 0.000 0.200 375 D C 2.488 178.801 176.300 0.022 0.000 0.978 375 D CA 1.371 55.437 54.000 0.109 0.000 0.833 375 D CB -1.033 39.861 40.800 0.156 0.000 0.961 375 D HN 0.437 nan 8.370 nan 0.000 0.470 376 G N 1.469 110.322 108.800 0.089 0.000 2.459 376 G HA2 -0.215 3.746 3.960 0.001 0.000 0.217 376 G HA3 -0.215 3.746 3.960 0.001 0.000 0.217 376 G C 1.568 176.400 174.900 -0.112 0.000 1.183 376 G CA 0.288 45.370 45.100 -0.031 0.000 0.776 376 G HN 0.166 nan 8.290 nan 0.000 0.552 377 I N 1.384 121.942 120.570 -0.021 0.000 2.361 377 I HA -0.096 4.074 4.170 0.001 0.000 0.251 377 I C 2.864 178.900 176.117 -0.135 0.000 1.133 377 I CA 1.260 62.527 61.300 -0.055 0.000 1.413 377 I CB -1.459 36.606 38.000 0.109 0.000 1.073 377 I HN 0.103 nan 8.210 nan 0.000 0.424 378 T N 1.387 115.790 114.554 -0.251 0.000 2.708 378 T HA -0.141 4.209 4.350 0.001 0.000 0.266 378 T C 1.760 176.378 174.700 -0.137 0.000 1.037 378 T CA 1.454 63.396 62.100 -0.263 0.000 1.146 378 T CB -0.148 68.509 68.868 -0.352 0.000 0.865 378 T HN 0.263 nan 8.240 nan 0.000 0.435 379 N N 0.864 119.497 118.700 -0.112 0.000 2.188 379 N HA -0.047 4.694 4.740 0.001 0.000 0.184 379 N C 1.785 177.244 175.510 -0.086 0.000 1.018 379 N CA 0.894 53.894 53.050 -0.083 0.000 0.858 379 N CB -0.268 38.176 38.487 -0.072 0.000 0.989 379 N HN 0.455 nan 8.380 nan 0.000 0.426 380 K N 0.939 121.272 120.400 -0.111 0.000 2.001 380 K HA -0.102 4.218 4.320 0.001 0.000 0.214 380 K C 1.695 178.257 176.600 -0.063 0.000 1.050 380 K CA 1.332 57.558 56.287 -0.101 0.000 0.934 380 K CB -0.125 32.296 32.500 -0.131 0.000 0.718 380 K HN -0.103 nan 8.250 nan 0.000 0.443 381 V N 2.085 121.964 119.914 -0.059 0.000 2.594 381 V HA -0.220 3.901 4.120 0.001 0.000 0.253 381 V C 1.943 178.019 176.094 -0.031 0.000 1.069 381 V CA 1.744 64.024 62.300 -0.033 0.000 1.082 381 V CB -0.641 31.165 31.823 -0.028 0.000 0.680 381 V HN 0.406 nan 8.190 nan 0.000 0.469 382 N N 0.074 118.748 118.700 -0.043 0.000 2.173 382 N HA -0.082 4.659 4.740 0.001 0.000 0.184 382 N C 2.136 177.628 175.510 -0.031 0.000 1.025 382 N CA 1.503 54.532 53.050 -0.036 0.000 0.852 382 N CB -0.441 38.023 38.487 -0.037 0.000 0.998 382 N HN 0.364 nan 8.380 nan 0.000 0.427 383 S N 0.963 116.643 115.700 -0.033 0.000 2.380 383 S HA -0.149 4.322 4.470 0.001 0.000 0.229 383 S C 2.249 176.842 174.600 -0.013 0.000 1.050 383 S CA 1.474 59.660 58.200 -0.024 0.000 1.100 383 S CB -0.681 62.502 63.200 -0.029 0.000 0.984 383 S HN 0.095 nan 8.310 nan 0.000 0.434 384 V N 1.625 121.536 119.914 -0.005 0.000 2.332 384 V HA -0.195 3.926 4.120 0.001 0.000 0.248 384 V C 2.002 178.090 176.094 -0.010 0.000 1.055 384 V CA 1.791 64.103 62.300 0.020 0.000 1.038 384 V CB -0.660 31.188 31.823 0.042 0.000 0.651 384 V HN 0.445 nan 8.190 nan 0.000 0.450 385 I N 0.169 120.720 120.570 -0.031 0.000 2.333 385 I HA -0.153 4.017 4.170 0.001 0.000 0.246 385 I C 2.611 178.679 176.117 -0.081 0.000 1.106 385 I CA 1.581 62.840 61.300 -0.069 0.000 1.411 385 I CB -0.420 37.549 38.000 -0.051 0.000 1.082 385 I HN 0.472 nan 8.210 nan 0.000 0.420 386 E N 1.115 121.283 120.200 -0.053 0.000 2.216 386 E HA -0.144 4.207 4.350 0.001 0.000 0.192 386 E C 1.438 178.013 176.600 -0.043 0.000 0.988 386 E CA 0.611 56.983 56.400 -0.048 0.000 0.834 386 E CB -0.048 29.632 29.700 -0.033 0.000 0.772 386 E HN 0.223 nan 8.360 nan 0.000 0.479 387 K N 0.779 121.160 120.400 -0.032 0.000 2.525 387 K HA 0.060 4.380 4.320 0.001 0.000 0.192 387 K C 0.581 177.171 176.600 -0.017 0.000 1.029 387 K CA 0.081 56.361 56.287 -0.012 0.000 1.029 387 K CB -0.168 32.339 32.500 0.011 0.000 0.814 387 K HN 0.265 nan 8.250 nan 0.000 0.503 388 M N 1.832 121.391 119.600 -0.069 0.000 2.094 388 M HA 0.176 4.656 4.480 0.001 0.000 0.348 388 M C -0.563 175.672 176.300 -0.108 0.000 1.267 388 M CA -0.910 54.318 55.300 -0.121 0.000 1.125 388 M CB 0.308 32.740 32.600 -0.280 0.000 1.527 388 M HN -0.170 nan 8.290 nan 0.000 0.447 389 N N 2.700 121.369 118.700 -0.052 0.000 2.508 389 N HA 0.395 5.136 4.740 0.001 0.000 0.264 389 N C -1.222 174.242 175.510 -0.077 0.000 1.216 389 N CA 0.304 53.330 53.050 -0.040 0.000 0.943 389 N CB 0.768 39.259 38.487 0.006 0.000 1.113 389 N HN 0.756 nan 8.380 nan 0.000 0.447 390 T N 1.488 116.003 114.554 -0.065 0.000 3.032 390 T HA 0.411 4.761 4.350 0.001 0.000 0.312 390 T C -1.504 173.175 174.700 -0.034 0.000 1.078 390 T CA -0.764 61.290 62.100 -0.077 0.000 1.028 390 T CB 0.600 69.402 68.868 -0.110 0.000 1.091 390 T HN 0.604 nan 8.240 nan 0.000 0.457 391 Q N 3.439 123.228 119.800 -0.019 0.000 2.544 391 Q HA 0.494 4.834 4.340 0.001 0.000 0.291 391 Q C -1.197 174.840 176.000 0.062 0.000 1.068 391 Q CA -1.132 54.693 55.803 0.037 0.000 0.785 391 Q CB 1.735 30.503 28.738 0.050 0.000 1.481 391 Q HN 0.673 nan 8.270 nan 0.000 0.430 392 F N 1.189 121.120 119.950 -0.032 0.000 2.490 392 F HA 0.346 4.873 4.527 0.001 0.000 0.357 392 F C 0.093 175.879 175.800 -0.023 0.000 1.166 392 F CA 0.490 58.470 58.000 -0.033 0.000 1.116 392 F CB -0.041 38.942 39.000 -0.028 0.000 1.171 392 F HN 0.767 nan 8.300 nan 0.000 0.576 393 E N 3.469 123.647 120.200 -0.037 0.000 2.263 393 E HA 0.714 5.064 4.350 0.001 0.000 0.264 393 E C -0.088 176.471 176.600 -0.068 0.000 0.923 393 E CA -0.234 56.190 56.400 0.039 0.000 0.802 393 E CB 1.579 31.282 29.700 0.004 0.000 1.228 393 E HN 0.725 nan 8.360 nan 0.000 0.417 394 A N -0.424 122.426 122.820 0.050 0.000 2.014 394 A HA 0.406 4.726 4.320 0.001 0.000 0.210 394 A C 1.867 179.442 177.584 -0.014 0.000 1.188 394 A CA 1.730 53.780 52.037 0.021 0.000 0.731 394 A CB -0.308 18.764 19.000 0.121 0.000 0.858 394 A HN 1.550 nan 8.150 nan 0.000 0.464 395 V N -1.469 118.453 119.914 0.014 0.000 0.489 395 V HA -0.310 3.811 4.120 0.001 0.000 0.092 395 V C 1.432 177.540 176.094 0.024 0.000 2.367 395 V CA 1.659 63.969 62.300 0.017 0.000 3.630 395 V CB -2.164 29.652 31.823 -0.011 0.000 0.914 395 V HN 1.094 nan 8.190 nan 0.000 0.957 396 G N 2.652 111.452 108.800 0.001 0.000 2.391 396 G HA2 0.490 4.451 3.960 0.001 0.000 0.305 396 G HA3 0.490 4.451 3.960 0.001 0.000 0.305 396 G C -0.276 174.603 174.900 -0.036 0.000 1.072 396 G CA -0.183 44.915 45.100 -0.004 0.000 1.016 396 G HN 0.384 nan 8.290 nan 0.000 0.418 397 K N 1.771 122.128 120.400 -0.072 0.000 2.106 397 K HA 0.378 4.698 4.320 0.001 0.000 0.246 397 K C -0.193 176.113 176.600 -0.490 0.000 0.987 397 K CA -0.613 55.501 56.287 -0.288 0.000 0.904 397 K CB 1.846 34.122 32.500 -0.374 0.000 1.071 397 K HN 0.431 nan 8.250 nan 0.000 0.453 398 E N 1.433 121.224 120.200 -0.682 0.000 2.179 398 E HA 0.422 4.772 4.350 0.001 0.000 0.275 398 E C -0.857 175.257 176.600 -0.811 0.000 0.945 398 E CA -0.471 55.599 56.400 -0.549 0.000 0.792 398 E CB 0.973 30.468 29.700 -0.341 0.000 1.125 398 E HN 0.259 nan 8.360 nan 0.000 0.397 399 F N 0.090 120.027 119.950 -0.021 0.000 2.591 399 F HA 0.194 4.722 4.527 0.001 0.000 0.309 399 F C 0.757 176.567 175.800 0.017 0.000 1.098 399 F CA -0.866 57.133 58.000 -0.002 0.000 0.937 399 F CB 1.579 40.579 39.000 0.001 0.000 1.250 399 F HN 0.287 nan 8.300 nan 0.000 0.447 400 S N 0.767 116.607 115.700 0.234 0.000 2.671 400 S HA 0.303 4.773 4.470 0.001 0.000 0.272 400 S C 0.734 175.415 174.600 0.135 0.000 1.174 400 S CA -0.519 57.778 58.200 0.162 0.000 1.004 400 S CB 0.678 63.969 63.200 0.152 0.000 1.077 400 S HN 0.569 nan 8.310 nan 0.000 0.553 401 N N 0.351 119.114 118.700 0.106 0.000 2.244 401 N HA 0.050 4.790 4.740 0.001 0.000 0.183 401 N C 1.076 176.621 175.510 0.059 0.000 1.016 401 N CA 0.965 54.061 53.050 0.076 0.000 0.866 401 N CB -0.727 37.800 38.487 0.067 0.000 0.980 401 N HN 0.562 nan 8.380 nan 0.000 0.430 402 L N 0.443 121.705 121.223 0.065 0.000 2.653 402 L HA 0.182 4.523 4.340 0.001 0.000 0.232 402 L C 0.266 177.161 176.870 0.041 0.000 1.169 402 L CA 0.288 55.156 54.840 0.047 0.000 0.951 402 L CB 0.019 42.108 42.059 0.051 0.000 1.181 402 L HN 0.049 nan 8.230 nan 0.000 0.460 403 E N -0.392 119.837 120.200 0.048 0.000 2.789 403 E HA 0.133 4.484 4.350 0.001 0.000 0.208 403 E C 1.172 177.722 176.600 -0.082 0.000 0.988 403 E CA -0.217 56.195 56.400 0.020 0.000 1.092 403 E CB 0.630 30.411 29.700 0.134 0.000 1.066 403 E HN 0.309 nan 8.360 nan 0.000 0.465 404 R N 0.593 121.058 120.500 -0.059 0.000 2.081 404 R HA -0.032 4.308 4.340 0.001 0.000 0.235 404 R C 2.081 178.289 176.300 -0.154 0.000 1.131 404 R CA 1.079 57.122 56.100 -0.095 0.000 0.960 404 R CB 0.001 30.274 30.300 -0.045 0.000 0.856 404 R HN 0.067 nan 8.270 nan 0.000 0.436 405 R N 0.406 120.836 120.500 -0.116 0.000 2.096 405 R HA -0.187 4.154 4.340 0.001 0.000 0.240 405 R C 2.303 178.493 176.300 -0.184 0.000 1.139 405 R CA 1.532 57.561 56.100 -0.118 0.000 0.952 405 R CB -0.481 29.775 30.300 -0.074 0.000 0.854 405 R HN 0.131 nan 8.270 nan 0.000 0.436 406 L N 1.266 122.344 121.223 -0.241 0.000 2.027 406 L HA -0.150 4.191 4.340 0.001 0.000 0.206 406 L C 2.246 178.695 176.870 -0.701 0.000 1.074 406 L CA 1.989 56.628 54.840 -0.336 0.000 0.745 406 L CB -0.654 41.269 42.059 -0.226 0.000 0.898 406 L HN 0.189 nan 8.230 nan 0.000 0.433 407 E N -0.574 118.948 120.200 -1.130 0.000 2.097 407 E HA -0.333 4.018 4.350 0.001 0.000 0.196 407 E C 2.018 178.312 176.600 -0.510 0.000 1.000 407 E CA 1.808 57.382 56.400 -1.377 0.000 0.804 407 E CB -0.510 28.762 29.700 -0.713 0.000 0.740 407 E HN 0.718 nan 8.360 nan 0.000 0.454 408 N N 0.255 118.765 118.700 -0.316 0.000 2.409 408 N HA -0.114 4.626 4.740 0.001 0.000 0.179 408 N C 2.126 177.563 175.510 -0.122 0.000 1.032 408 N CA 0.349 53.304 53.050 -0.159 0.000 0.898 408 N CB -0.030 38.389 38.487 -0.114 0.000 0.971 408 N HN 0.329 nan 8.380 nan 0.000 0.441 409 L N 1.237 122.372 121.223 -0.146 0.000 1.994 409 L HA -0.222 4.118 4.340 0.001 0.000 0.208 409 L C 2.206 179.050 176.870 -0.044 0.000 1.071 409 L CA 1.601 56.390 54.840 -0.086 0.000 0.745 409 L CB -0.718 41.292 42.059 -0.081 0.000 0.892 409 L HN 0.203 nan 8.230 nan 0.000 0.431 410 N N 0.562 119.234 118.700 -0.045 0.000 2.060 410 N HA -0.315 4.426 4.740 0.001 0.000 0.195 410 N C 1.788 177.334 175.510 0.060 0.000 1.028 410 N CA 2.202 55.289 53.050 0.061 0.000 0.861 410 N CB -0.144 38.449 38.487 0.177 0.000 1.029 410 N HN 0.206 nan 8.380 nan 0.000 0.428 411 K N 0.913 121.323 120.400 0.016 0.000 2.026 411 K HA -0.142 4.178 4.320 0.001 0.000 0.208 411 K C 1.902 178.512 176.600 0.016 0.000 1.048 411 K CA 1.560 57.862 56.287 0.025 0.000 0.929 411 K CB -0.370 32.130 32.500 0.001 0.000 0.713 411 K HN 0.151 nan 8.250 nan 0.000 0.439 412 K N 0.320 120.711 120.400 -0.014 0.000 2.209 412 K HA -0.102 4.218 4.320 0.001 0.000 0.204 412 K C 2.048 178.623 176.600 -0.041 0.000 1.048 412 K CA 1.684 57.952 56.287 -0.032 0.000 0.940 412 K CB -0.174 32.297 32.500 -0.048 0.000 0.729 412 K HN 0.399 nan 8.250 nan 0.000 0.451 413 M N -0.460 119.133 119.600 -0.011 0.000 2.248 413 M HA -0.044 4.437 4.480 0.001 0.000 0.265 413 M C 1.553 177.901 176.300 0.081 0.000 1.079 413 M CA 1.569 56.853 55.300 -0.026 0.000 1.150 413 M CB 0.021 32.657 32.600 0.060 0.000 1.366 413 M HN 0.061 nan 8.290 nan 0.000 0.433 414 E N 1.252 121.553 120.200 0.167 0.000 2.077 414 E HA -0.199 4.151 4.350 0.001 0.000 0.193 414 E C 1.506 178.224 176.600 0.196 0.000 0.989 414 E CA 1.798 58.344 56.400 0.244 0.000 0.800 414 E CB -0.174 29.629 29.700 0.172 0.000 0.746 414 E HN 0.512 nan 8.360 nan 0.000 0.452 415 D N -0.940 119.519 120.400 0.098 0.000 2.144 415 D HA -0.104 4.536 4.640 0.001 0.000 0.199 415 D C 1.841 178.155 176.300 0.023 0.000 0.984 415 D CA 1.367 55.406 54.000 0.065 0.000 0.834 415 D CB -0.654 40.159 40.800 0.021 0.000 0.955 415 D HN 0.339 nan 8.370 nan 0.000 0.465 416 G N -0.463 108.297 108.800 -0.068 0.000 2.440 416 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 416 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 416 G C 1.520 176.292 174.900 -0.214 0.000 1.154 416 G CA 0.258 45.231 45.100 -0.212 0.000 0.767 416 G HN 0.264 nan 8.290 nan 0.000 0.552 417 F N -0.214 119.765 119.950 0.050 0.000 2.293 417 F HA 0.143 4.671 4.527 0.001 0.000 0.297 417 F C 2.392 178.296 175.800 0.175 0.000 1.089 417 F CA 0.296 58.342 58.000 0.076 0.000 1.377 417 F CB -0.129 38.982 39.000 0.185 0.000 1.051 417 F HN 0.119 nan 8.300 nan 0.000 0.511 418 L N 0.527 121.964 121.223 0.357 0.000 2.013 418 L HA -0.261 4.079 4.340 0.001 0.000 0.212 418 L C 1.732 178.713 176.870 0.185 0.000 1.073 418 L CA 2.025 57.040 54.840 0.292 0.000 0.753 418 L CB -0.733 41.468 42.059 0.237 0.000 0.890 418 L HN -0.035 nan 8.230 nan 0.000 0.432 419 D N -0.844 119.615 120.400 0.098 0.000 2.117 419 D HA -0.144 4.497 4.640 0.001 0.000 0.198 419 D C 2.346 178.676 176.300 0.051 0.000 0.982 419 D CA 1.617 55.644 54.000 0.045 0.000 0.828 419 D CB -0.448 40.339 40.800 -0.023 0.000 0.967 419 D HN 0.291 nan 8.370 nan 0.000 0.464 420 V N 0.012 119.925 119.914 -0.001 0.000 2.255 420 V HA -0.238 3.883 4.120 0.001 0.000 0.247 420 V C 2.177 178.271 176.094 -0.001 0.000 1.051 420 V CA 1.577 63.832 62.300 -0.074 0.000 1.018 420 V CB -0.767 30.916 31.823 -0.234 0.000 0.641 420 V HN 0.300 nan 8.190 nan 0.000 0.445 421 W N 0.198 121.586 121.300 0.148 0.000 2.363 421 W HA -0.171 4.490 4.660 0.003 0.000 0.296 421 W C 2.670 179.166 176.519 -0.039 0.000 1.212 421 W CA 1.406 58.822 57.345 0.119 0.000 1.260 421 W CB -0.671 28.902 29.460 0.188 0.000 1.131 421 W HN 0.161 nan 8.180 nan 0.000 0.530 422 T N -0.390 114.272 114.554 0.180 0.000 2.614 422 T HA -0.317 4.034 4.350 0.001 0.000 0.263 422 T C 1.329 176.045 174.700 0.026 0.000 1.055 422 T CA 1.620 63.732 62.100 0.019 0.000 1.162 422 T CB -1.064 67.808 68.868 0.007 0.000 0.863 422 T HN 0.117 nan 8.240 nan 0.000 0.414 423 Y N 2.788 123.066 120.300 -0.036 0.000 2.081 423 Y HA -0.273 4.278 4.550 0.001 0.000 0.280 423 Y C 2.341 178.218 175.900 -0.038 0.000 1.163 423 Y CA 1.738 59.812 58.100 -0.044 0.000 1.135 423 Y CB -0.565 37.869 38.460 -0.043 0.000 0.970 423 Y HN 0.130 nan 8.280 nan 0.000 0.498 424 N N 0.125 118.896 118.700 0.118 0.000 2.069 424 N HA -0.202 4.539 4.740 0.001 0.000 0.191 424 N C 1.958 177.457 175.510 -0.017 0.000 1.031 424 N CA 1.757 54.839 53.050 0.053 0.000 0.852 424 N CB -0.955 37.602 38.487 0.118 0.000 1.018 424 N HN 0.519 nan 8.380 nan 0.000 0.423 425 A N 1.321 124.102 122.820 -0.064 0.000 1.898 425 A HA -0.103 4.217 4.320 0.001 0.000 0.216 425 A C 2.071 179.507 177.584 -0.246 0.000 1.181 425 A CA 1.136 53.006 52.037 -0.279 0.000 0.620 425 A CB -0.337 18.119 19.000 -0.907 0.000 0.819 425 A HN 0.142 nan 8.150 nan 0.000 0.442 426 E N -0.291 119.771 120.200 -0.230 0.000 2.038 426 E HA -0.191 4.160 4.350 0.001 0.000 0.195 426 E C 1.972 178.453 176.600 -0.199 0.000 1.000 426 E CA 1.107 57.385 56.400 -0.203 0.000 0.803 426 E CB -0.462 29.125 29.700 -0.189 0.000 0.750 426 E HN 0.419 nan 8.360 nan 0.000 0.448 427 L N 0.770 121.835 121.223 -0.263 0.000 2.046 427 L HA -0.150 4.191 4.340 0.001 0.000 0.208 427 L C 2.491 179.277 176.870 -0.140 0.000 1.077 427 L CA 1.012 55.702 54.840 -0.252 0.000 0.747 427 L CB -1.157 40.673 42.059 -0.381 0.000 0.896 427 L HN 0.165 nan 8.230 nan 0.000 0.432 428 L N -0.974 120.190 121.223 -0.099 0.000 2.013 428 L HA -0.208 4.133 4.340 0.001 0.000 0.212 428 L C 2.480 179.328 176.870 -0.037 0.000 1.073 428 L CA 1.717 56.535 54.840 -0.036 0.000 0.753 428 L CB -0.843 41.232 42.059 0.027 0.000 0.890 428 L HN 0.050 nan 8.230 nan 0.000 0.432 429 V N -0.279 119.602 119.914 -0.055 0.000 2.287 429 V HA -0.334 3.787 4.120 0.001 0.000 0.248 429 V C 2.625 178.690 176.094 -0.049 0.000 1.053 429 V CA 2.190 64.463 62.300 -0.045 0.000 1.027 429 V CB -0.537 31.249 31.823 -0.061 0.000 0.646 429 V HN 0.486 nan 8.190 nan 0.000 0.447 430 L N -1.491 119.691 121.223 -0.069 0.000 2.056 430 L HA -0.187 4.153 4.340 0.001 0.000 0.207 430 L C 2.487 179.325 176.870 -0.053 0.000 1.078 430 L CA 1.659 56.460 54.840 -0.064 0.000 0.749 430 L CB -0.420 41.588 42.059 -0.084 0.000 0.901 430 L HN 0.325 nan 8.230 nan 0.000 0.433 431 M N -1.038 118.528 119.600 -0.056 0.000 2.156 431 M HA -0.138 4.343 4.480 0.001 0.000 0.264 431 M C 2.094 178.373 176.300 -0.036 0.000 1.067 431 M CA 1.355 56.628 55.300 -0.045 0.000 1.131 431 M CB -0.179 32.395 32.600 -0.043 0.000 1.368 431 M HN 0.101 nan 8.290 nan 0.000 0.416 432 E N 0.254 120.433 120.200 -0.035 0.000 2.216 432 E HA -0.062 4.288 4.350 0.001 0.000 0.192 432 E C 1.571 178.151 176.600 -0.034 0.000 0.988 432 E CA 0.684 57.062 56.400 -0.037 0.000 0.834 432 E CB -0.324 29.356 29.700 -0.032 0.000 0.772 432 E HN 0.456 nan 8.360 nan 0.000 0.479 433 N N 1.445 120.129 118.700 -0.026 0.000 2.084 433 N HA -0.192 4.549 4.740 0.001 0.000 0.190 433 N C 1.762 177.263 175.510 -0.013 0.000 1.030 433 N CA 1.493 54.533 53.050 -0.017 0.000 0.849 433 N CB -0.337 38.140 38.487 -0.016 0.000 1.012 433 N HN 0.470 nan 8.380 nan 0.000 0.423 434 E N 1.023 121.212 120.200 -0.019 0.000 2.204 434 E HA -0.144 4.207 4.350 0.001 0.000 0.195 434 E C 1.552 178.151 176.600 -0.001 0.000 0.990 434 E CA 0.870 57.262 56.400 -0.013 0.000 0.821 434 E CB 0.047 29.735 29.700 -0.020 0.000 0.750 434 E HN 0.181 nan 8.360 nan 0.000 0.477 435 R N 0.458 120.951 120.500 -0.010 0.000 2.090 435 R HA -0.016 4.325 4.340 0.001 0.000 0.228 435 R C 2.319 178.621 176.300 0.002 0.000 1.110 435 R CA 1.673 57.770 56.100 -0.005 0.000 0.973 435 R CB -0.881 29.395 30.300 -0.041 0.000 0.869 435 R HN 0.285 nan 8.270 nan 0.000 0.440 436 T N 2.654 117.194 114.554 -0.023 0.000 2.701 436 T HA -0.039 4.312 4.350 0.001 0.000 0.263 436 T C 2.158 176.857 174.700 -0.002 0.000 1.040 436 T CA 0.970 63.047 62.100 -0.038 0.000 1.147 436 T CB -0.314 68.534 68.868 -0.033 0.000 0.865 436 T HN 0.081 nan 8.240 nan 0.000 0.426 437 L N 1.185 122.436 121.223 0.047 0.000 1.978 437 L HA -0.227 4.113 4.340 0.001 0.000 0.218 437 L C 2.597 179.493 176.870 0.043 0.000 1.075 437 L CA 1.665 56.541 54.840 0.059 0.000 0.767 437 L CB -0.872 41.195 42.059 0.014 0.000 0.890 437 L HN 0.214 nan 8.230 nan 0.000 0.434 438 D N -0.391 120.047 120.400 0.063 0.000 2.133 438 D HA -0.232 4.409 4.640 0.001 0.000 0.195 438 D C 1.882 178.248 176.300 0.111 0.000 0.997 438 D CA 1.251 55.333 54.000 0.138 0.000 0.840 438 D CB -0.338 40.569 40.800 0.178 0.000 0.947 438 D HN 0.215 nan 8.370 nan 0.000 0.452 439 F N 1.888 121.768 119.950 -0.117 0.000 2.065 439 F HA -0.268 4.258 4.527 -0.001 0.000 0.298 439 F C 2.423 178.054 175.800 -0.282 0.000 1.112 439 F CA 1.695 59.555 58.000 -0.233 0.000 1.212 439 F CB -0.490 38.333 39.000 -0.295 0.000 0.975 439 F HN 0.080 nan 8.300 nan 0.000 0.476 440 H N -0.505 118.395 119.070 -0.284 0.000 2.352 440 H HA -0.170 4.386 4.556 0.000 0.000 0.299 440 H C 2.047 177.147 175.328 -0.381 0.000 1.097 440 H CA 1.722 57.556 56.048 -0.356 0.000 1.311 440 H CB -0.874 28.727 29.762 -0.269 0.000 1.377 440 H HN 0.316 nan 8.280 nan 0.000 0.504 441 D N 0.215 120.514 120.400 -0.168 0.000 2.106 441 D HA -0.151 4.489 4.640 0.001 0.000 0.191 441 D C 2.469 178.568 176.300 -0.335 0.000 0.997 441 D CA 1.708 55.590 54.000 -0.196 0.000 0.834 441 D CB -0.230 40.568 40.800 -0.003 0.000 0.956 441 D HN 0.204 nan 8.370 nan 0.000 0.448 442 S N -0.461 114.906 115.700 -0.554 0.000 2.370 442 S HA -0.183 4.287 4.470 0.001 0.000 0.226 442 S C 1.815 176.031 174.600 -0.640 0.000 1.033 442 S CA 1.441 59.051 58.200 -0.982 0.000 1.011 442 S CB -0.357 62.043 63.200 -1.334 0.000 0.852 442 S HN 0.218 nan 8.310 nan 0.000 0.457 443 N N 1.012 119.307 118.700 -0.676 0.000 2.104 443 N HA -0.073 4.668 4.740 0.001 0.000 0.190 443 N C 1.752 176.859 175.510 -0.672 0.000 1.024 443 N CA 1.485 54.091 53.050 -0.741 0.000 0.853 443 N CB -0.875 36.977 38.487 -1.058 0.000 1.008 443 N HN 0.315 nan 8.380 nan 0.000 0.424 444 V N 1.186 120.743 119.914 -0.596 0.000 2.323 444 V HA -0.182 3.938 4.120 0.001 0.000 0.244 444 V C 2.294 178.299 176.094 -0.148 0.000 1.041 444 V CA 1.469 63.557 62.300 -0.354 0.000 1.025 444 V CB -0.426 31.247 31.823 -0.251 0.000 0.656 444 V HN 0.287 nan 8.190 nan 0.000 0.451 445 K N 0.780 121.093 120.400 -0.145 0.000 2.280 445 K HA -0.155 4.166 4.320 0.001 0.000 0.202 445 K C 1.694 178.342 176.600 0.079 0.000 1.047 445 K CA 1.552 57.870 56.287 0.051 0.000 0.942 445 K CB -0.301 32.238 32.500 0.064 0.000 0.739 445 K HN 0.409 nan 8.250 nan 0.000 0.457 446 N N 0.170 118.824 118.700 -0.077 0.000 2.251 446 N HA -0.075 4.665 4.740 0.001 0.000 0.181 446 N C 1.385 176.889 175.510 -0.009 0.000 1.019 446 N CA 0.836 53.851 53.050 -0.059 0.000 0.862 446 N CB -0.320 38.076 38.487 -0.151 0.000 0.992 446 N HN 0.132 nan 8.380 nan 0.000 0.429 447 L N 0.761 121.956 121.223 -0.046 0.000 1.970 447 L HA -0.173 4.167 4.340 0.001 0.000 0.212 447 L C 2.077 179.016 176.870 0.114 0.000 1.071 447 L CA 1.667 56.509 54.840 0.003 0.000 0.751 447 L CB -1.428 40.590 42.059 -0.069 0.000 0.889 447 L HN 0.183 nan 8.230 nan 0.000 0.432 448 Y N 0.645 120.989 120.300 0.074 0.000 2.139 448 Y HA -0.343 4.208 4.550 0.000 0.000 0.282 448 Y C 2.348 178.364 175.900 0.193 0.000 1.179 448 Y CA 2.334 60.557 58.100 0.204 0.000 1.161 448 Y CB -0.340 38.285 38.460 0.276 0.000 0.970 448 Y HN 0.388 nan 8.280 nan 0.000 0.511 449 D N -0.242 120.263 120.400 0.174 0.000 2.084 449 D HA -0.176 4.465 4.640 0.001 0.000 0.196 449 D C 2.156 178.442 176.300 -0.023 0.000 0.985 449 D CA 1.543 55.579 54.000 0.059 0.000 0.826 449 D CB -0.478 40.378 40.800 0.094 0.000 0.978 449 D HN 0.375 nan 8.370 nan 0.000 0.456 450 K N 1.009 121.410 120.400 0.001 0.000 2.032 450 K HA -0.197 4.123 4.320 0.001 0.000 0.218 450 K C 2.023 178.589 176.600 -0.057 0.000 1.054 450 K CA 1.623 57.904 56.287 -0.011 0.000 0.941 450 K CB -0.315 32.199 32.500 0.022 0.000 0.720 450 K HN -0.074 nan 8.250 nan 0.000 0.449 451 V N 1.318 121.193 119.914 -0.065 0.000 2.255 451 V HA -0.275 3.846 4.120 0.001 0.000 0.247 451 V C 2.678 178.511 176.094 -0.434 0.000 1.051 451 V CA 2.303 64.490 62.300 -0.190 0.000 1.018 451 V CB -0.665 31.085 31.823 -0.122 0.000 0.641 451 V HN 0.452 nan 8.190 nan 0.000 0.445 452 R N -0.586 119.645 120.500 -0.448 0.000 2.103 452 R HA -0.170 4.171 4.340 0.001 0.000 0.242 452 R C 2.211 178.340 176.300 -0.284 0.000 1.142 452 R CA 1.843 57.668 56.100 -0.459 0.000 0.960 452 R CB -0.207 29.955 30.300 -0.231 0.000 0.858 452 R HN 0.424 nan 8.270 nan 0.000 0.439 453 M N -0.089 119.404 119.600 -0.178 0.000 2.562 453 M HA -0.107 4.374 4.480 0.001 0.000 0.257 453 M C 1.822 178.046 176.300 -0.126 0.000 1.099 453 M CA 1.180 56.411 55.300 -0.114 0.000 1.099 453 M CB 0.090 32.651 32.600 -0.065 0.000 1.427 453 M HN 0.281 nan 8.290 nan 0.000 0.489 454 Q N 0.156 119.861 119.800 -0.160 0.000 2.123 454 Q HA 0.011 4.351 4.340 0.001 0.000 0.196 454 Q C 1.989 177.934 176.000 -0.091 0.000 0.958 454 Q CA 0.954 56.698 55.803 -0.100 0.000 0.841 454 Q CB 0.312 29.010 28.738 -0.067 0.000 0.915 454 Q HN 0.502 nan 8.270 nan 0.000 0.455 455 L N -0.489 120.565 121.223 -0.282 0.000 2.051 455 L HA 0.015 4.356 4.340 0.001 0.000 0.202 455 L C 1.038 177.881 176.870 -0.045 0.000 1.097 455 L CA 0.703 55.377 54.840 -0.277 0.000 0.762 455 L CB -0.423 41.251 42.059 -0.640 0.000 0.913 455 L HN 0.211 nan 8.230 nan 0.000 0.447 456 R N -0.917 119.521 120.500 -0.103 0.000 4.078 456 R HA -0.242 4.098 4.340 0.001 0.000 0.231 456 R C 1.224 177.572 176.300 0.080 0.000 0.247 456 R CA 0.892 56.998 56.100 0.009 0.000 0.845 456 R CB -1.724 28.604 30.300 0.047 0.000 1.012 456 R HN 0.177 nan 8.270 nan 0.000 0.553 457 D N 0.844 121.343 120.400 0.165 0.000 2.160 457 D HA -0.138 4.503 4.640 0.001 0.000 0.189 457 D C 1.349 177.807 176.300 0.263 0.000 1.003 457 D CA 2.134 56.267 54.000 0.223 0.000 0.846 457 D CB -0.627 40.326 40.800 0.255 0.000 0.949 457 D HN 0.323 nan 8.370 nan 0.000 0.446 458 N N -0.187 118.674 118.700 0.268 0.000 2.635 458 N HA -0.048 4.692 4.740 0.001 0.000 0.191 458 N C 0.087 175.644 175.510 0.079 0.000 1.155 458 N CA 0.247 53.491 53.050 0.323 0.000 0.927 458 N CB 0.175 38.950 38.487 0.481 0.000 0.976 458 N HN 0.222 nan 8.380 nan 0.000 0.448 459 V N -3.383 116.413 119.914 -0.196 0.000 2.971 459 V HA 0.420 4.540 4.120 0.001 0.000 0.309 459 V C -0.271 175.465 176.094 -0.596 0.000 1.130 459 V CA -1.501 60.459 62.300 -0.567 0.000 0.964 459 V CB 2.380 33.900 31.823 -0.505 0.000 1.029 459 V HN -0.169 nan 8.190 nan 0.000 0.427 460 K N 2.237 122.152 120.400 -0.809 0.000 2.312 460 K HA 0.288 4.608 4.320 0.001 0.000 0.287 460 K C -0.011 176.506 176.600 -0.138 0.000 1.062 460 K CA -0.150 55.940 56.287 -0.329 0.000 0.934 460 K CB 0.794 33.178 32.500 -0.193 0.000 1.027 460 K HN 0.951 nan 8.250 nan 0.000 0.478 461 E N 5.387 125.563 120.200 -0.040 0.000 2.105 461 E HA 0.032 4.383 4.350 0.001 0.000 0.285 461 E C 0.589 177.124 176.600 -0.108 0.000 1.055 461 E CA -0.180 56.183 56.400 -0.061 0.000 0.843 461 E CB 0.650 30.362 29.700 0.021 0.000 1.067 461 E HN 0.706 nan 8.360 nan 0.000 0.398 462 L N 3.261 124.384 121.223 -0.166 0.000 2.240 462 L HA 0.033 4.373 4.340 0.001 0.000 0.211 462 L C 1.560 178.377 176.870 -0.087 0.000 1.106 462 L CA 1.004 55.786 54.840 -0.097 0.000 0.793 462 L CB -0.154 41.860 42.059 -0.075 0.000 0.927 462 L HN 0.963 nan 8.230 nan 0.000 0.446 463 G N 0.537 109.256 108.800 -0.135 0.000 2.194 463 G HA2 -0.294 3.667 3.960 0.001 0.000 0.236 463 G HA3 -0.294 3.667 3.960 0.001 0.000 0.236 463 G C 0.531 175.384 174.900 -0.078 0.000 0.987 463 G CA 0.456 45.468 45.100 -0.147 0.000 0.635 463 G HN 0.512 nan 8.290 nan 0.000 0.520 464 N N 0.715 119.400 118.700 -0.025 0.000 2.214 464 N HA 0.425 5.165 4.740 0.001 0.000 0.214 464 N C 1.407 176.964 175.510 0.077 0.000 1.132 464 N CA 0.649 53.733 53.050 0.056 0.000 0.856 464 N CB 0.109 38.624 38.487 0.047 0.000 1.020 464 N HN 1.670 nan 8.380 nan 0.000 0.509 465 G N -0.517 108.287 108.800 0.005 0.000 2.132 465 G HA2 -0.232 3.729 3.960 0.001 0.000 0.234 465 G HA3 -0.232 3.729 3.960 0.001 0.000 0.234 465 G C -0.293 174.658 174.900 0.085 0.000 0.989 465 G CA 0.089 45.230 45.100 0.068 0.000 0.676 465 G HN 0.470 nan 8.290 nan 0.000 0.522 466 c N -0.330 118.208 118.600 -0.103 0.000 2.454 466 c HA 0.861 5.432 4.570 0.001 0.000 0.336 466 c C -0.129 173.688 174.090 -0.455 0.000 1.189 466 c CA -0.743 55.521 56.329 -0.108 0.000 1.877 466 c CB 0.758 43.286 42.510 0.031 0.000 2.348 466 c HN 0.333 nan 8.230 nan 0.000 0.508 467 F N 1.232 121.157 119.950 -0.043 0.000 2.477 467 F HA 0.425 4.953 4.527 0.000 0.000 0.335 467 F C 0.124 175.731 175.800 -0.322 0.000 1.130 467 F CA -0.514 57.336 58.000 -0.250 0.000 0.948 467 F CB 1.043 39.777 39.000 -0.445 0.000 1.154 467 F HN 0.485 nan 8.300 nan 0.000 0.439 468 E N 3.128 123.247 120.200 -0.136 0.000 2.194 468 E HA 0.339 4.690 4.350 0.001 0.000 0.284 468 E C -1.236 175.204 176.600 -0.267 0.000 1.035 468 E CA -0.265 56.063 56.400 -0.120 0.000 0.836 468 E CB 0.465 30.125 29.700 -0.067 0.000 1.070 468 E HN 0.346 nan 8.360 nan 0.000 0.401 469 F N 4.025 123.882 119.950 -0.155 0.000 2.456 469 F HA 0.101 4.628 4.527 0.000 0.000 0.358 469 F C 0.754 176.467 175.800 -0.146 0.000 1.095 469 F CA 0.201 58.048 58.000 -0.255 0.000 1.216 469 F CB 0.557 39.352 39.000 -0.341 0.000 1.125 469 F HN 0.684 nan 8.300 nan 0.000 0.549 470 Y N 0.514 120.878 120.300 0.106 0.000 2.561 470 Y HA -0.066 4.485 4.550 0.001 0.000 0.291 470 Y C 0.810 176.802 175.900 0.153 0.000 1.141 470 Y CA -0.304 57.867 58.100 0.117 0.000 1.303 470 Y CB -0.123 38.414 38.460 0.129 0.000 1.015 470 Y HN 0.638 nan 8.280 nan 0.000 0.547 471 H N -2.533 116.721 119.070 0.307 0.000 2.896 471 H HA 0.540 5.096 4.556 0.001 0.000 0.318 471 H C -0.940 174.449 175.328 0.102 0.000 1.409 471 H CA -1.665 54.485 56.048 0.169 0.000 1.328 471 H CB 0.617 30.452 29.762 0.121 0.000 1.940 471 H HN -0.386 nan 8.280 nan 0.000 0.665 472 K N -0.000 120.523 120.400 0.205 0.000 2.298 472 K HA 0.315 4.635 4.320 0.001 0.000 0.280 472 K C -1.328 175.273 176.600 0.002 0.000 1.032 472 K CA -0.330 55.990 56.287 0.055 0.000 0.958 472 K CB 0.660 33.197 32.500 0.061 0.000 0.978 472 K HN 0.680 nan 8.250 nan 0.000 0.472 473 c N 6.967 125.422 118.600 -0.242 0.000 2.521 473 c HA 0.329 4.899 4.570 0.001 0.000 0.291 473 c C -0.752 173.212 174.090 -0.210 0.000 1.074 473 c CA -0.873 55.229 56.329 -0.378 0.000 1.495 473 c CB -1.146 40.678 42.510 -1.142 0.000 1.862 473 c HN 0.970 nan 8.230 nan 0.000 0.418 474 D N 2.579 122.919 120.400 -0.100 0.000 2.377 474 D HA 0.056 4.697 4.640 0.001 0.000 0.245 474 D C 0.557 176.827 176.300 -0.049 0.000 1.196 474 D CA -0.172 53.793 54.000 -0.059 0.000 0.962 474 D CB 0.806 41.585 40.800 -0.035 0.000 1.127 474 D HN 0.358 nan 8.370 nan 0.000 0.471 475 D N -0.141 120.244 120.400 -0.025 0.000 2.172 475 D HA -0.184 4.457 4.640 0.001 0.000 0.196 475 D C 1.695 177.962 176.300 -0.056 0.000 0.999 475 D CA 1.260 55.239 54.000 -0.035 0.000 0.856 475 D CB 0.064 40.847 40.800 -0.029 0.000 0.934 475 D HN 0.405 nan 8.370 nan 0.000 0.453 476 E N -0.179 119.997 120.200 -0.041 0.000 2.106 476 E HA -0.128 4.223 4.350 0.001 0.000 0.192 476 E C 2.309 178.895 176.600 -0.023 0.000 0.984 476 E CA 0.436 56.815 56.400 -0.035 0.000 0.806 476 E CB -0.658 29.025 29.700 -0.027 0.000 0.750 476 E HN 0.378 nan 8.360 nan 0.000 0.458 477 c N 0.721 119.310 118.600 -0.018 0.000 2.422 477 c HA -0.073 4.498 4.570 0.001 0.000 0.279 477 c C 2.522 176.628 174.090 0.026 0.000 1.305 477 c CA 0.446 56.791 56.329 0.026 0.000 1.757 477 c CB -0.744 41.776 42.510 0.017 0.000 1.962 477 c HN 0.289 nan 8.230 nan 0.000 0.499 478 M N 1.553 121.123 119.600 -0.050 0.000 2.132 478 M HA -0.052 4.428 4.480 0.001 0.000 0.263 478 M C 1.806 178.043 176.300 -0.105 0.000 1.065 478 M CA 1.481 56.741 55.300 -0.067 0.000 1.122 478 M CB -1.528 31.017 32.600 -0.091 0.000 1.365 478 M HN 0.481 nan 8.290 nan 0.000 0.411 479 N N 0.603 119.237 118.700 -0.109 0.000 2.289 479 N HA -0.111 4.630 4.740 0.001 0.000 0.184 479 N C 1.803 177.281 175.510 -0.053 0.000 1.016 479 N CA 1.594 54.580 53.050 -0.107 0.000 0.872 479 N CB -0.522 37.914 38.487 -0.084 0.000 0.973 479 N HN 0.433 nan 8.380 nan 0.000 0.433 480 S N -0.058 115.645 115.700 0.005 0.000 2.419 480 S HA -0.046 4.425 4.470 0.001 0.000 0.233 480 S C 1.905 176.564 174.600 0.098 0.000 1.016 480 S CA 0.816 59.055 58.200 0.065 0.000 0.974 480 S CB -0.247 63.023 63.200 0.117 0.000 0.786 480 S HN 0.048 nan 8.310 nan 0.000 0.492 481 V N 1.599 121.550 119.914 0.061 0.000 2.535 481 V HA 0.032 4.153 4.120 0.001 0.000 0.246 481 V C 2.526 178.569 176.094 -0.086 0.000 1.045 481 V CA 1.568 63.874 62.300 0.010 0.000 1.058 481 V CB -0.532 31.277 31.823 -0.023 0.000 0.689 481 V HN 0.464 nan 8.190 nan 0.000 0.461 482 K N 0.353 120.615 120.400 -0.230 0.000 2.097 482 K HA -0.127 4.193 4.320 0.001 0.000 0.205 482 K C 2.066 178.629 176.600 -0.062 0.000 1.050 482 K CA 1.316 57.422 56.287 -0.301 0.000 0.938 482 K CB -0.312 31.915 32.500 -0.455 0.000 0.718 482 K HN 0.297 nan 8.250 nan 0.000 0.442 483 N N 0.399 119.075 118.700 -0.041 0.000 2.094 483 N HA -0.140 4.600 4.740 0.001 0.000 0.191 483 N C 1.144 176.670 175.510 0.027 0.000 1.023 483 N CA 1.796 54.846 53.050 0.001 0.000 0.857 483 N CB -0.195 38.294 38.487 0.004 0.000 1.013 483 N HN 0.453 nan 8.380 nan 0.000 0.426 484 G N -2.122 106.700 108.800 0.036 0.000 2.140 484 G HA2 -0.204 3.757 3.960 0.001 0.000 0.211 484 G HA3 -0.204 3.757 3.960 0.001 0.000 0.211 484 G C 0.444 175.374 174.900 0.049 0.000 1.013 484 G CA 0.675 45.803 45.100 0.047 0.000 0.705 484 G HN 0.386 nan 8.290 nan 0.000 0.508 485 T N -0.709 113.882 114.554 0.063 0.000 3.084 485 T HA 0.230 4.581 4.350 0.001 0.000 0.270 485 T C 0.573 175.324 174.700 0.084 0.000 1.008 485 T CA -0.228 61.904 62.100 0.053 0.000 0.900 485 T CB 0.354 69.240 68.868 0.030 0.000 1.084 485 T HN 0.480 nan 8.240 nan 0.000 0.538 486 Y N 4.146 124.449 120.300 0.005 0.000 2.804 486 Y HA 0.251 4.802 4.550 0.001 0.000 0.338 486 Y C -0.116 175.814 175.900 0.051 0.000 1.252 486 Y CA 0.066 58.190 58.100 0.040 0.000 1.576 486 Y CB 0.065 38.559 38.460 0.057 0.000 1.223 486 Y HN 0.134 nan 8.280 nan 0.000 0.536 487 D N 5.883 126.064 120.400 -0.366 0.000 2.301 487 D HA 0.090 4.731 4.640 0.001 0.000 0.187 487 D C -1.794 174.383 176.300 -0.205 0.000 1.264 487 D CA -0.489 53.396 54.000 -0.191 0.000 0.849 487 D CB -0.608 40.151 40.800 -0.067 0.000 1.828 487 D HN 0.475 nan 8.370 nan 0.000 0.526 488 Y N 3.392 123.445 120.300 -0.411 0.000 3.501 488 Y HA 0.206 4.757 4.550 0.001 0.000 0.177 488 Y C -2.894 172.809 175.900 -0.329 0.000 0.533 488 Y CA -0.650 57.150 58.100 -0.501 0.000 1.060 488 Y CB 0.135 38.386 38.460 -0.348 0.000 1.117 488 Y HN 0.238 nan 8.280 nan 0.000 0.560 489 P HA 0.585 nan 4.420 nan 0.000 0.253 489 P C -1.358 175.642 177.300 -0.499 0.000 1.667 489 P CA -0.145 62.738 63.100 -0.362 0.000 1.118 489 P CB 1.219 32.803 31.700 -0.194 0.000 1.595 490 K N 1.978 121.918 120.400 -0.767 0.000 2.565 490 K HA 0.451 4.772 4.320 0.001 0.000 0.251 490 K C -1.387 174.617 176.600 -0.993 0.000 0.956 490 K CA -0.253 55.621 56.287 -0.689 0.000 0.809 490 K CB 1.775 33.866 32.500 -0.681 0.000 1.267 490 K HN 0.222 nan 8.250 nan 0.000 0.438 491 Y N 0.605 120.839 120.300 -0.110 0.000 2.810 491 Y HA 0.230 4.781 4.550 0.001 0.000 0.272 491 Y C -0.648 175.243 175.900 -0.016 0.000 0.938 491 Y CA -0.764 57.305 58.100 -0.052 0.000 1.129 491 Y CB 1.129 39.553 38.460 -0.060 0.000 1.192 491 Y HN 0.439 nan 8.280 nan 0.000 0.630 492 E N 0.738 120.991 120.200 0.088 0.000 2.266 492 E HA 0.519 4.870 4.350 0.001 0.000 0.277 492 E C 0.990 177.631 176.600 0.068 0.000 1.018 492 E CA 0.480 56.935 56.400 0.092 0.000 0.840 492 E CB 1.318 31.097 29.700 0.131 0.000 1.082 492 E HN 0.575 nan 8.360 nan 0.000 0.395 493 E N 2.395 122.586 120.200 -0.014 0.000 2.256 493 E HA 0.122 4.472 4.350 0.001 0.000 0.198 493 E C 0.265 176.871 176.600 0.010 0.000 0.908 493 E CA 0.694 57.098 56.400 0.007 0.000 0.915 493 E CB 0.070 29.762 29.700 -0.012 0.000 0.890 493 E HN 0.461 nan 8.360 nan 0.000 0.484 494 E N 0.000 120.193 120.200 -0.012 0.000 2.725 494 E HA 0.000 4.351 4.350 0.001 0.000 0.291 494 E CA 0.000 56.355 56.400 -0.075 0.000 0.976 494 E CB 0.000 29.655 29.700 -0.075 0.000 0.812 494 E HN 0.000 nan 8.360 nan 0.000 0.440