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 3dc8_1_A DATA FIRST_RESID 2 DATA SEQUENCE STVIKGGTIV TADLTYKADV KVEGGRIVEI GPNLSGAETL DATGCYVMPG DATA SEQUENCE GIDPHTHLEM PFMGTYSSDD FESGTRAALA GGTTMVVDFA LPSXGQSLLE DATA SEQUENCE ALTMWDNKST RANCDYSFHM AITWWGEQVF NEMETIVKDK GINTFXHFMA DATA SEQUENCE YKGALMVDDD EMFSSFQRCA ALGALPLVHA ENGDVVAQLQ AKLLAEGNSG DATA SEQUENCE PEAHAYSRPA EVEGEAANRA IMIADMAGCP VYIVHTSCEQ AHEAIRRARA DATA SEQUENCE KGMRVFGEPL IQHLTLDETE YFDKDWDHAA RRVMSPPFRN KLHQDSLWAG DATA SEQUENCE LASGSLQVVA TDHCAFTTEQ KRFGVGDFTR IPNGTGGLED RMPMLWTYGV DATA SEQUENCE ATGRITMNEF VAVTSTNIAK ILNIYPKKGA ILVGADADLV VWDPKRSKTI DATA SEQUENCE SAKTQQSAID YNVFEGKTVT GLPRFTLTRG VVSIEEGTVK TQEGHGEFVR DATA SEQUENCE RDPFPAVSTA LSTWKEVTAP RAVQRSGIPA SGVH 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.574 174.600 -0.043 0.000 1.055 2 S CA 0.000 58.181 58.200 -0.031 0.000 1.107 2 S CB 0.000 63.184 63.200 -0.027 0.000 0.593 3 T N 1.360 115.883 114.554 -0.051 0.000 2.812 3 T HA 0.658 5.013 4.350 0.009 0.000 0.282 3 T C -0.915 173.742 174.700 -0.071 0.000 0.990 3 T CA -0.498 61.558 62.100 -0.073 0.000 0.960 3 T CB 1.378 70.190 68.868 -0.093 0.000 0.948 3 T HN 0.725 nan 8.240 nan 0.000 0.438 4 V N 4.864 124.733 119.914 -0.075 0.000 2.398 4 V HA 0.430 4.556 4.120 0.009 0.000 0.286 4 V C 0.120 176.162 176.094 -0.088 0.000 1.026 4 V CA -0.836 61.425 62.300 -0.064 0.000 0.868 4 V CB 1.325 33.121 31.823 -0.044 0.000 0.982 4 V HN 0.819 nan 8.190 nan 0.000 0.443 5 I N 5.195 125.717 120.570 -0.079 0.000 2.308 5 I HA 0.291 4.466 4.170 0.009 0.000 0.293 5 I C 0.367 176.458 176.117 -0.042 0.000 1.078 5 I CA 0.131 61.385 61.300 -0.078 0.000 1.292 5 I CB 0.374 38.340 38.000 -0.057 0.000 1.423 5 I HN 0.520 nan 8.210 nan 0.000 0.493 6 K N 4.468 124.847 120.400 -0.036 0.000 2.206 6 K HA 0.540 4.865 4.320 0.009 0.000 0.264 6 K C 0.728 177.322 176.600 -0.010 0.000 0.967 6 K CA -0.054 56.220 56.287 -0.021 0.000 0.844 6 K CB 1.496 33.982 32.500 -0.023 0.000 1.099 6 K HN 0.750 nan 8.250 nan 0.000 0.441 7 G N 2.080 110.872 108.800 -0.013 0.000 2.157 7 G HA2 -0.216 3.749 3.960 0.009 0.000 0.248 7 G HA3 -0.216 3.749 3.960 0.009 0.000 0.248 7 G C 0.319 175.201 174.900 -0.029 0.000 0.979 7 G CA -0.083 45.007 45.100 -0.016 0.000 0.650 7 G HN 0.885 nan 8.290 nan 0.000 0.529 8 G N -1.088 107.693 108.800 -0.032 0.000 2.522 8 G HA2 0.593 4.559 3.960 0.009 0.000 0.304 8 G HA3 0.593 4.559 3.960 0.009 0.000 0.304 8 G C -0.184 174.682 174.900 -0.057 0.000 1.210 8 G CA 0.400 45.469 45.100 -0.051 0.000 0.960 8 G HN 0.544 nan 8.290 nan 0.000 0.497 9 T N 1.056 115.579 114.554 -0.053 0.000 2.743 9 T HA 0.359 4.714 4.350 0.009 0.000 0.292 9 T C 0.507 175.216 174.700 0.016 0.000 0.972 9 T CA -0.035 62.067 62.100 0.003 0.000 0.967 9 T CB 0.694 69.636 68.868 0.124 0.000 0.926 9 T HN 0.278 nan 8.240 nan 0.000 0.459 10 I N 3.422 123.876 120.570 -0.192 0.000 2.556 10 I HA 0.214 4.390 4.170 0.009 0.000 0.284 10 I C -0.162 175.897 176.117 -0.097 0.000 1.114 10 I CA -0.209 60.941 61.300 -0.249 0.000 1.418 10 I CB 0.647 38.244 38.000 -0.673 0.000 1.394 10 I HN 0.224 nan 8.210 nan 0.000 0.552 11 V N 5.452 125.388 119.914 0.036 0.000 2.443 11 V HA 0.418 4.544 4.120 0.009 0.000 0.293 11 V C 0.199 176.355 176.094 0.104 0.000 1.021 11 V CA -0.471 61.882 62.300 0.088 0.000 0.848 11 V CB 1.776 33.653 31.823 0.090 0.000 0.998 11 V HN 0.927 nan 8.190 nan 0.000 0.424 12 T N 1.731 116.361 114.554 0.128 0.000 2.807 12 T HA 0.711 5.067 4.350 0.009 0.000 0.277 12 T C 1.171 175.932 174.700 0.101 0.000 1.006 12 T CA 0.051 62.228 62.100 0.128 0.000 1.006 12 T CB 2.038 71.005 68.868 0.166 0.000 1.274 12 T HN 0.656 nan 8.240 nan 0.000 0.569 13 A N -0.355 122.509 122.820 0.074 0.000 2.121 13 A HA 0.069 4.395 4.320 0.009 0.000 0.218 13 A C 1.818 179.422 177.584 0.035 0.000 1.154 13 A CA 1.824 53.879 52.037 0.029 0.000 0.679 13 A CB -1.094 17.890 19.000 -0.027 0.000 0.795 13 A HN 0.911 nan 8.150 nan 0.000 0.458 14 D N -1.628 118.812 120.400 0.068 0.000 2.259 14 D HA 0.211 4.857 4.640 0.009 0.000 0.216 14 D C 0.291 176.638 176.300 0.079 0.000 0.961 14 D CA 1.139 55.178 54.000 0.064 0.000 0.878 14 D CB 0.178 41.027 40.800 0.082 0.000 1.009 14 D HN 0.311 nan 8.370 nan 0.000 0.490 15 L N -3.405 117.895 121.223 0.128 0.000 2.892 15 L HA 0.583 4.929 4.340 0.009 0.000 0.269 15 L C -0.982 176.033 176.870 0.242 0.000 1.058 15 L CA -0.908 54.026 54.840 0.157 0.000 0.923 15 L CB 1.198 43.330 42.059 0.122 0.000 1.518 15 L HN -0.361 nan 8.230 nan 0.000 0.402 16 T N 1.329 116.036 114.554 0.254 0.000 2.841 16 T HA 0.835 5.190 4.350 0.009 0.000 0.285 16 T C -1.640 173.271 174.700 0.352 0.000 0.991 16 T CA -0.253 61.991 62.100 0.240 0.000 0.966 16 T CB 1.032 69.982 68.868 0.137 0.000 0.962 16 T HN 0.889 nan 8.240 nan 0.000 0.438 17 Y N -0.077 120.276 120.300 0.087 0.000 2.565 17 Y HA 0.591 5.147 4.550 0.009 0.000 0.330 17 Y C -0.929 175.018 175.900 0.078 0.000 1.150 17 Y CA -1.588 56.556 58.100 0.073 0.000 1.055 17 Y CB 1.111 39.604 38.460 0.054 0.000 1.337 17 Y HN 0.425 nan 8.280 nan 0.000 0.457 18 K N 2.388 122.852 120.400 0.108 0.000 2.349 18 K HA 0.760 5.086 4.320 0.009 0.000 0.288 18 K C -0.896 175.730 176.600 0.044 0.000 1.058 18 K CA 0.265 56.566 56.287 0.023 0.000 0.953 18 K CB 0.160 32.691 32.500 0.052 0.000 0.997 18 K HN 1.040 nan 8.250 nan 0.000 0.477 19 A N 3.999 126.785 122.820 -0.057 0.000 2.597 19 A HA 0.318 4.644 4.320 0.009 0.000 0.292 19 A C -1.727 175.839 177.584 -0.030 0.000 1.057 19 A CA -1.031 51.011 52.037 0.008 0.000 0.674 19 A CB 0.990 20.054 19.000 0.107 0.000 1.278 19 A HN 0.699 nan 8.150 nan 0.000 0.416 20 D N 0.089 120.490 120.400 0.002 0.000 2.329 20 D HA 0.513 5.158 4.640 0.009 0.000 0.246 20 D C -0.449 175.849 176.300 -0.004 0.000 1.111 20 D CA 0.115 54.110 54.000 -0.008 0.000 0.941 20 D CB 1.608 42.406 40.800 -0.003 0.000 1.169 20 D HN 0.267 nan 8.370 nan 0.000 0.441 21 V N 1.356 121.262 119.914 -0.014 0.000 2.483 21 V HA 0.260 4.386 4.120 0.009 0.000 0.297 21 V C 0.042 176.125 176.094 -0.017 0.000 1.027 21 V CA -0.878 61.417 62.300 -0.008 0.000 0.855 21 V CB 1.812 33.627 31.823 -0.012 0.000 0.995 21 V HN 0.333 nan 8.190 nan 0.000 0.424 22 K N 3.674 124.068 120.400 -0.011 0.000 2.185 22 K HA 0.766 5.091 4.320 0.009 0.000 0.269 22 K C -1.426 175.162 176.600 -0.020 0.000 0.987 22 K CA -0.411 55.865 56.287 -0.019 0.000 0.865 22 K CB 1.808 34.301 32.500 -0.013 0.000 1.090 22 K HN 0.493 nan 8.250 nan 0.000 0.450 23 V N 3.282 123.179 119.914 -0.029 0.000 2.540 23 V HA 0.419 4.545 4.120 0.009 0.000 0.302 23 V C -1.034 175.044 176.094 -0.027 0.000 1.035 23 V CA -0.637 61.646 62.300 -0.028 0.000 0.873 23 V CB 1.658 33.460 31.823 -0.035 0.000 0.992 23 V HN 0.908 nan 8.190 nan 0.000 0.428 24 E N 2.732 122.919 120.200 -0.021 0.000 2.335 24 E HA 0.571 4.926 4.350 0.009 0.000 0.280 24 E C 0.188 176.779 176.600 -0.015 0.000 0.918 24 E CA 0.252 56.641 56.400 -0.019 0.000 0.765 24 E CB 1.722 31.411 29.700 -0.018 0.000 1.218 24 E HN 1.102 nan 8.360 nan 0.000 0.425 25 G N 2.488 111.281 108.800 -0.011 0.000 2.305 25 G HA2 -0.024 3.941 3.960 0.009 0.000 0.287 25 G HA3 -0.024 3.941 3.960 0.009 0.000 0.287 25 G C 1.018 175.916 174.900 -0.004 0.000 1.036 25 G CA 1.125 46.221 45.100 -0.007 0.000 0.887 25 G HN 1.815 nan 8.290 nan 0.000 0.505 26 G N -1.933 106.868 108.800 0.002 0.000 2.179 26 G HA2 -0.253 3.713 3.960 0.009 0.000 0.260 26 G HA3 -0.253 3.713 3.960 0.009 0.000 0.260 26 G C 0.364 175.260 174.900 -0.006 0.000 0.977 26 G CA 1.133 46.239 45.100 0.010 0.000 0.641 26 G HN 1.122 nan 8.290 nan 0.000 0.533 27 R N -0.847 119.644 120.500 -0.015 0.000 2.807 27 R HA 0.657 5.003 4.340 0.009 0.000 0.276 27 R C -0.030 176.257 176.300 -0.021 0.000 0.979 27 R CA -1.127 54.959 56.100 -0.023 0.000 0.928 27 R CB 1.487 31.769 30.300 -0.029 0.000 1.191 27 R HN 0.163 nan 8.270 nan 0.000 0.471 28 I N 2.605 123.162 120.570 -0.022 0.000 2.452 28 I HA -0.037 4.139 4.170 0.009 0.000 0.287 28 I C 1.465 177.574 176.117 -0.014 0.000 1.079 28 I CA 0.029 61.320 61.300 -0.015 0.000 1.387 28 I CB 1.052 39.046 38.000 -0.010 0.000 1.404 28 I HN 0.537 nan 8.210 nan 0.000 0.522 29 V N 1.597 121.505 119.914 -0.011 0.000 3.621 29 V HA 0.352 4.478 4.120 0.009 0.000 0.263 29 V C 0.448 176.541 176.094 -0.002 0.000 1.272 29 V CA 0.304 62.598 62.300 -0.010 0.000 1.080 29 V CB -0.041 31.775 31.823 -0.012 0.000 0.816 29 V HN 0.827 nan 8.190 nan 0.000 0.451 30 E N -0.306 119.896 120.200 0.004 0.000 2.363 30 E HA 0.654 5.010 4.350 0.009 0.000 0.281 30 E C -1.971 174.645 176.600 0.027 0.000 0.953 30 E CA -0.727 55.681 56.400 0.013 0.000 0.778 30 E CB 2.680 32.385 29.700 0.008 0.000 1.220 30 E HN 0.379 nan 8.360 nan 0.000 0.431 31 I N 2.886 123.485 120.570 0.048 0.000 2.499 31 I HA 0.763 4.939 4.170 0.009 0.000 0.288 31 I C 0.109 176.283 176.117 0.095 0.000 1.048 31 I CA -0.496 60.853 61.300 0.082 0.000 1.062 31 I CB 2.067 40.150 38.000 0.137 0.000 1.238 31 I HN 0.677 nan 8.210 nan 0.000 0.426 32 G N 6.196 115.050 108.800 0.090 0.000 2.320 32 G HA2 0.384 4.350 3.960 0.009 0.000 0.296 32 G HA3 0.384 4.350 3.960 0.009 0.000 0.296 32 G C -3.419 171.521 174.900 0.066 0.000 1.306 32 G CA -0.638 44.515 45.100 0.088 0.000 0.836 32 G HN 0.280 nan 8.290 nan 0.000 0.517 33 P HA 0.268 nan 4.420 nan 0.000 0.281 33 P C -0.125 177.190 177.300 0.025 0.000 1.249 33 P CA -0.027 63.098 63.100 0.041 0.000 0.810 33 P CB 0.569 32.294 31.700 0.042 0.000 1.008 34 N N -0.778 117.932 118.700 0.016 0.000 2.725 34 N HA -0.162 4.584 4.740 0.009 0.000 0.251 34 N C -0.370 175.143 175.510 0.005 0.000 1.031 34 N CA -0.010 53.045 53.050 0.009 0.000 0.720 34 N CB -1.501 36.992 38.487 0.009 0.000 0.930 34 N HN 0.410 nan 8.380 nan 0.000 0.543 35 L N 0.203 121.428 121.223 0.004 0.000 2.418 35 L HA 0.506 4.851 4.340 0.009 0.000 0.265 35 L C 0.903 177.768 176.870 -0.008 0.000 1.143 35 L CA -0.335 54.505 54.840 -0.001 0.000 0.809 35 L CB 1.159 43.218 42.059 -0.001 0.000 1.124 35 L HN 0.293 nan 8.230 nan 0.000 0.456 36 S N 0.142 115.836 115.700 -0.010 0.000 2.569 36 S HA 0.935 5.411 4.470 0.009 0.000 0.280 36 S C -0.533 174.056 174.600 -0.019 0.000 1.111 36 S CA -0.389 57.801 58.200 -0.015 0.000 0.887 36 S CB 2.314 65.506 63.200 -0.012 0.000 1.095 36 S HN 0.881 nan 8.310 nan 0.000 0.476 37 G N -0.309 108.476 108.800 -0.025 0.000 2.721 37 G HA2 0.686 4.652 3.960 0.009 0.000 0.296 37 G HA3 0.686 4.652 3.960 0.009 0.000 0.296 37 G C 0.477 175.360 174.900 -0.029 0.000 1.383 37 G CA -0.276 44.807 45.100 -0.027 0.000 0.788 37 G HN 1.189 nan 8.290 nan 0.000 0.500 38 A N -1.175 121.626 122.820 -0.031 0.000 1.968 38 A HA 0.314 4.639 4.320 0.009 0.000 0.217 38 A C 0.826 178.387 177.584 -0.037 0.000 1.169 38 A CA 1.329 53.348 52.037 -0.030 0.000 0.638 38 A CB -0.150 18.834 19.000 -0.027 0.000 0.812 38 A HN 0.398 nan 8.150 nan 0.000 0.446 39 E N -0.432 119.738 120.200 -0.049 0.000 2.238 39 E HA 0.542 4.897 4.350 0.009 0.000 0.267 39 E C -1.271 175.281 176.600 -0.081 0.000 0.887 39 E CA -0.278 56.083 56.400 -0.065 0.000 0.769 39 E CB 1.733 31.387 29.700 -0.077 0.000 1.187 39 E HN 0.075 nan 8.360 nan 0.000 0.416 40 T N 2.018 116.518 114.554 -0.091 0.000 2.861 40 T HA 0.554 4.909 4.350 0.009 0.000 0.287 40 T C -0.108 174.492 174.700 -0.167 0.000 1.003 40 T CA -0.599 61.439 62.100 -0.103 0.000 0.977 40 T CB 0.793 69.624 68.868 -0.062 0.000 0.996 40 T HN 0.149 nan 8.240 nan 0.000 0.448 41 L N 2.610 123.690 121.223 -0.239 0.000 2.313 41 L HA 0.450 4.795 4.340 0.009 0.000 0.283 41 L C -0.108 176.688 176.870 -0.124 0.000 1.013 41 L CA -1.028 53.566 54.840 -0.411 0.000 0.816 41 L CB 1.329 42.875 42.059 -0.854 0.000 1.236 41 L HN 0.560 nan 8.230 nan 0.000 0.419 42 D N 2.889 123.338 120.400 0.082 0.000 2.344 42 D HA 0.273 4.918 4.640 0.009 0.000 0.253 42 D C 0.440 176.869 176.300 0.215 0.000 1.255 42 D CA -0.001 54.079 54.000 0.132 0.000 0.894 42 D CB 1.669 42.540 40.800 0.118 0.000 1.067 42 D HN 0.597 nan 8.370 nan 0.000 0.492 43 A N 3.470 126.355 122.820 0.108 0.000 2.500 43 A HA 0.146 4.472 4.320 0.009 0.000 0.267 43 A C 1.025 178.608 177.584 -0.001 0.000 1.290 43 A CA -0.409 51.678 52.037 0.084 0.000 0.928 43 A CB -0.161 18.878 19.000 0.065 0.000 1.066 43 A HN 0.496 nan 8.150 nan 0.000 0.516 44 T N -0.219 114.332 114.554 -0.006 0.000 2.902 44 T HA 0.377 4.733 4.350 0.009 0.000 0.301 44 T C 1.439 176.094 174.700 -0.076 0.000 1.012 44 T CA 1.511 63.588 62.100 -0.040 0.000 1.151 44 T CB 0.031 68.883 68.868 -0.026 0.000 0.946 44 T HN 1.695 nan 8.240 nan 0.000 0.542 45 G N 3.125 111.858 108.800 -0.113 0.000 2.162 45 G HA2 -0.234 3.732 3.960 0.009 0.000 0.260 45 G HA3 -0.234 3.732 3.960 0.009 0.000 0.260 45 G C 0.427 175.170 174.900 -0.262 0.000 0.976 45 G CA 0.117 45.120 45.100 -0.161 0.000 0.655 45 G HN 0.963 nan 8.290 nan 0.000 0.533 46 C N -0.688 118.457 119.300 -0.259 0.000 2.486 46 C HA 0.794 5.260 4.460 0.009 0.000 0.348 46 C C -0.132 174.641 174.990 -0.363 0.000 1.203 46 C CA -1.216 57.644 59.018 -0.263 0.000 1.911 46 C CB 1.010 28.697 27.740 -0.088 0.000 2.340 46 C HN 0.309 nan 8.230 nan 0.000 0.511 47 Y N 0.529 120.863 120.300 0.056 0.000 2.330 47 Y HA 0.515 5.071 4.550 0.010 0.000 0.336 47 Y C 0.170 176.103 175.900 0.056 0.000 1.036 47 Y CA -0.599 57.532 58.100 0.052 0.000 1.125 47 Y CB 0.872 39.367 38.460 0.059 0.000 1.194 47 Y HN 0.305 nan 8.280 nan 0.000 0.469 48 V N 5.829 125.849 119.914 0.176 0.000 2.328 48 V HA 0.450 4.576 4.120 0.009 0.000 0.278 48 V C -0.100 176.057 176.094 0.106 0.000 1.021 48 V CA -0.560 61.809 62.300 0.115 0.000 0.838 48 V CB 0.496 32.346 31.823 0.045 0.000 0.999 48 V HN 0.793 nan 8.190 nan 0.000 0.447 49 M N 5.929 125.602 119.600 0.122 0.000 2.690 49 M HA 0.547 5.033 4.480 0.009 0.000 0.302 49 M C -2.799 173.556 176.300 0.092 0.000 1.234 49 M CA -2.029 53.337 55.300 0.109 0.000 0.853 49 M CB 2.842 35.518 32.600 0.127 0.000 1.748 49 M HN 0.255 nan 8.290 nan 0.000 0.469 50 P HA 0.061 nan 4.420 nan 0.000 0.266 50 P C -0.151 177.182 177.300 0.055 0.000 1.195 50 P CA -0.035 63.102 63.100 0.061 0.000 0.768 50 P CB 0.196 31.934 31.700 0.063 0.000 0.838 51 G N 2.735 111.567 108.800 0.053 0.000 2.414 51 G HA2 0.313 4.279 3.960 0.009 0.000 0.236 51 G HA3 0.313 4.279 3.960 0.009 0.000 0.236 51 G C 0.617 175.530 174.900 0.021 0.000 1.293 51 G CA -0.048 45.085 45.100 0.055 0.000 0.869 51 G HN 0.631 nan 8.290 nan 0.000 0.556 52 G N -0.096 108.713 108.800 0.016 0.000 2.484 52 G HA2 0.378 4.343 3.960 0.009 0.000 0.235 52 G HA3 0.378 4.343 3.960 0.009 0.000 0.235 52 G C -0.113 174.774 174.900 -0.021 0.000 1.282 52 G CA -0.412 44.670 45.100 -0.031 0.000 0.857 52 G HN 0.663 nan 8.290 nan 0.000 0.571 53 I N 1.370 121.915 120.570 -0.041 0.000 2.410 53 I HA 0.179 4.354 4.170 0.009 0.000 0.286 53 I C -0.919 175.185 176.117 -0.021 0.000 1.009 53 I CA -0.669 60.610 61.300 -0.035 0.000 1.111 53 I CB 2.061 40.031 38.000 -0.050 0.000 1.262 53 I HN 0.309 nan 8.210 nan 0.000 0.443 54 D N 9.293 129.692 120.400 -0.000 0.000 2.454 54 D HA 0.262 4.908 4.640 0.009 0.000 0.225 54 D C -1.924 174.411 176.300 0.058 0.000 1.081 54 D CA -2.094 51.931 54.000 0.041 0.000 0.864 54 D CB 1.833 42.665 40.800 0.054 0.000 1.040 54 D HN 0.232 nan 8.370 nan 0.000 0.517 55 P HA 0.037 nan 4.420 nan 0.000 0.255 55 P C -0.432 176.987 177.300 0.197 0.000 1.357 55 P CA 0.110 63.250 63.100 0.067 0.000 0.839 55 P CB -0.307 31.419 31.700 0.042 0.000 1.356 56 H N 0.196 119.362 119.070 0.159 0.000 2.607 56 H HA 0.326 4.887 4.556 0.009 0.000 0.248 56 H C -0.600 174.869 175.328 0.235 0.000 1.355 56 H CA -0.264 55.976 56.048 0.319 0.000 1.524 56 H CB 0.564 30.539 29.762 0.356 0.000 1.563 56 H HN -0.065 nan 8.280 nan 0.000 0.509 57 T N 0.136 114.884 114.554 0.323 0.000 2.916 57 T HA 0.323 4.679 4.350 0.009 0.000 0.292 57 T C -0.594 174.113 174.700 0.012 0.000 1.055 57 T CA -0.915 61.289 62.100 0.173 0.000 1.009 57 T CB 2.070 70.965 68.868 0.046 0.000 1.118 57 T HN 0.519 nan 8.240 nan 0.000 0.497 58 H N 2.167 121.444 119.070 0.344 0.000 2.429 58 H HA 0.334 4.896 4.556 0.009 0.000 0.231 58 H C -0.774 174.663 175.328 0.181 0.000 1.416 58 H CA -0.383 55.855 56.048 0.316 0.000 1.443 58 H CB 0.371 30.270 29.762 0.228 0.000 1.591 58 H HN 0.471 nan 8.280 nan 0.000 0.507 59 L N 1.065 122.383 121.223 0.158 0.000 2.276 59 L HA 0.148 4.493 4.340 0.009 0.000 0.286 59 L C 1.119 178.064 176.870 0.125 0.000 1.061 59 L CA -0.101 54.724 54.840 -0.025 0.000 0.807 59 L CB 0.984 42.719 42.059 -0.540 0.000 1.177 59 L HN 0.541 nan 8.230 nan 0.000 0.429 60 E N 2.940 123.211 120.200 0.118 0.000 2.269 60 E HA -0.256 4.099 4.350 0.009 0.000 0.223 60 E C -0.299 176.470 176.600 0.280 0.000 1.244 60 E CA 0.172 56.677 56.400 0.176 0.000 0.713 60 E CB -0.116 29.640 29.700 0.093 0.000 1.178 60 E HN 0.548 nan 8.360 nan 0.000 0.370 61 M N 1.823 121.604 119.600 0.302 0.000 2.144 61 M HA 0.378 4.864 4.480 0.009 0.000 0.356 61 M C -2.357 174.029 176.300 0.143 0.000 1.217 61 M CA -1.953 53.542 55.300 0.325 0.000 1.087 61 M CB 1.011 33.814 32.600 0.339 0.000 1.609 61 M HN -0.156 nan 8.290 nan 0.000 0.467 62 P HA 0.228 nan 4.420 nan 0.000 0.276 62 P C -1.513 175.776 177.300 -0.019 0.000 1.253 62 P CA 0.215 62.953 63.100 -0.603 0.000 0.766 62 P CB 0.108 31.515 31.700 -0.489 0.000 0.845 63 F N 4.624 124.461 119.950 -0.190 0.000 2.639 63 F HA 0.289 4.822 4.527 0.009 0.000 0.320 63 F C 0.157 175.892 175.800 -0.109 0.000 1.128 63 F CA -0.937 56.994 58.000 -0.114 0.000 1.037 63 F CB 1.271 40.275 39.000 0.007 0.000 1.288 63 F HN 0.269 nan 8.300 nan 0.000 0.463 64 M N 5.214 124.474 119.600 -0.568 0.000 2.249 64 M HA -0.205 4.281 4.480 0.009 0.000 0.198 64 M C 1.033 177.174 176.300 -0.265 0.000 0.394 64 M CA 1.497 56.456 55.300 -0.570 0.000 0.427 64 M CB -1.802 30.276 32.600 -0.870 0.000 1.307 64 M HN 1.428 nan 8.290 nan 0.000 0.924 65 G N -1.661 107.039 108.800 -0.168 0.000 2.199 65 G HA2 -0.270 3.695 3.960 0.009 0.000 0.254 65 G HA3 -0.270 3.695 3.960 0.009 0.000 0.254 65 G C 0.091 175.000 174.900 0.014 0.000 0.982 65 G CA 1.013 46.051 45.100 -0.103 0.000 0.632 65 G HN 0.745 nan 8.290 nan 0.000 0.529 66 T N -1.946 112.664 114.554 0.093 0.000 2.587 66 T HA 0.694 5.049 4.350 0.009 0.000 0.282 66 T C -1.662 173.198 174.700 0.267 0.000 1.018 66 T CA -0.288 61.993 62.100 0.301 0.000 1.120 66 T CB 1.108 70.278 68.868 0.504 0.000 1.538 66 T HN 0.435 nan 8.240 nan 0.000 0.480 67 Y N 1.002 121.512 120.300 0.350 0.000 2.512 67 Y HA 0.500 5.056 4.550 0.009 0.000 0.348 67 Y C 0.629 176.715 175.900 0.309 0.000 0.990 67 Y CA -0.913 57.375 58.100 0.313 0.000 1.033 67 Y CB 2.069 40.628 38.460 0.165 0.000 1.259 67 Y HN 0.742 nan 8.280 nan 0.000 0.461 68 S N 0.122 115.954 115.700 0.221 0.000 2.563 68 S HA 0.036 4.512 4.470 0.009 0.000 0.284 68 S C 0.507 175.058 174.600 -0.082 0.000 1.331 68 S CA -0.242 57.742 58.200 -0.360 0.000 1.047 68 S CB 1.014 63.995 63.200 -0.365 0.000 0.859 68 S HN 0.678 nan 8.310 nan 0.000 0.514 69 S N 0.572 116.170 115.700 -0.171 0.000 2.540 69 S HA 0.172 4.647 4.470 0.009 0.000 0.218 69 S C -0.244 174.339 174.600 -0.028 0.000 0.977 69 S CA -0.292 57.884 58.200 -0.040 0.000 0.918 69 S CB -0.072 63.120 63.200 -0.014 0.000 0.806 69 S HN 0.721 nan 8.310 nan 0.000 0.496 70 D N 3.234 123.619 120.400 -0.026 0.000 2.232 70 D HA 0.293 4.939 4.640 0.009 0.000 0.242 70 D C -0.430 175.864 176.300 -0.010 0.000 1.093 70 D CA -0.187 53.820 54.000 0.012 0.000 0.845 70 D CB 1.398 42.256 40.800 0.097 0.000 1.124 70 D HN 0.289 nan 8.370 nan 0.000 0.467 71 D N 0.455 120.846 120.400 -0.015 0.000 2.567 71 D HA 0.121 4.766 4.640 0.009 0.000 0.275 71 D C 1.084 177.359 176.300 -0.042 0.000 1.195 71 D CA -0.602 53.404 54.000 0.010 0.000 1.087 71 D CB 0.011 40.838 40.800 0.045 0.000 1.165 71 D HN 0.097 nan 8.370 nan 0.000 0.609 72 F N -0.199 119.717 119.950 -0.057 0.000 2.126 72 F HA -0.113 4.420 4.527 0.009 0.000 0.299 72 F C 2.425 178.192 175.800 -0.056 0.000 1.096 72 F CA 1.423 59.380 58.000 -0.071 0.000 1.255 72 F CB -0.185 38.734 39.000 -0.135 0.000 0.997 72 F HN 0.381 nan 8.300 nan 0.000 0.479 73 E N 0.533 120.800 120.200 0.112 0.000 2.017 73 E HA -0.187 4.169 4.350 0.009 0.000 0.193 73 E C 2.354 178.960 176.600 0.010 0.000 0.997 73 E CA 1.882 58.317 56.400 0.057 0.000 0.804 73 E CB -0.382 29.344 29.700 0.044 0.000 0.757 73 E HN 0.396 nan 8.360 nan 0.000 0.448 74 S N -0.556 115.137 115.700 -0.011 0.000 2.406 74 S HA -0.008 4.468 4.470 0.009 0.000 0.228 74 S C 2.220 176.771 174.600 -0.081 0.000 1.020 74 S CA 1.091 59.273 58.200 -0.031 0.000 0.965 74 S CB -0.641 62.548 63.200 -0.019 0.000 0.798 74 S HN 0.313 nan 8.310 nan 0.000 0.488 75 G N 2.141 110.856 108.800 -0.142 0.000 2.402 75 G HA2 -0.157 3.809 3.960 0.009 0.000 0.216 75 G HA3 -0.157 3.809 3.960 0.009 0.000 0.216 75 G C 1.728 176.511 174.900 -0.197 0.000 1.162 75 G CA 1.552 46.487 45.100 -0.276 0.000 0.777 75 G HN 0.701 nan 8.290 nan 0.000 0.539 76 T N -1.000 113.486 114.554 -0.113 0.000 2.904 76 T HA -0.025 4.331 4.350 0.009 0.000 0.267 76 T C 2.229 176.923 174.700 -0.010 0.000 1.059 76 T CA 1.197 63.277 62.100 -0.033 0.000 1.137 76 T CB -0.128 68.771 68.868 0.052 0.000 0.879 76 T HN 0.335 nan 8.240 nan 0.000 0.467 77 R N 1.496 121.989 120.500 -0.013 0.000 2.073 77 R HA 0.057 4.403 4.340 0.009 0.000 0.234 77 R C 2.761 179.053 176.300 -0.015 0.000 1.134 77 R CA 1.440 57.538 56.100 -0.004 0.000 0.952 77 R CB -0.882 29.417 30.300 -0.002 0.000 0.850 77 R HN 0.438 nan 8.270 nan 0.000 0.433 78 A N 0.788 123.584 122.820 -0.040 0.000 1.917 78 A HA -0.190 4.136 4.320 0.009 0.000 0.219 78 A C 2.400 179.969 177.584 -0.025 0.000 1.182 78 A CA 1.994 54.009 52.037 -0.036 0.000 0.633 78 A CB -1.025 17.932 19.000 -0.073 0.000 0.819 78 A HN 0.591 nan 8.150 nan 0.000 0.448 79 A N -0.380 122.412 122.820 -0.046 0.000 1.858 79 A HA -0.075 4.251 4.320 0.009 0.000 0.216 79 A C 2.201 179.800 177.584 0.026 0.000 1.190 79 A CA 1.586 53.614 52.037 -0.014 0.000 0.617 79 A CB -0.687 18.298 19.000 -0.025 0.000 0.827 79 A HN 0.483 nan 8.150 nan 0.000 0.443 80 L N -0.761 120.477 121.223 0.025 0.000 2.046 80 L HA -0.215 4.130 4.340 0.009 0.000 0.208 80 L C 3.061 179.954 176.870 0.039 0.000 1.077 80 L CA 1.064 55.929 54.840 0.042 0.000 0.747 80 L CB -0.502 41.579 42.059 0.038 0.000 0.896 80 L HN 0.452 nan 8.230 nan 0.000 0.432 81 A N -0.102 122.730 122.820 0.020 0.000 2.019 81 A HA -0.100 4.225 4.320 0.009 0.000 0.219 81 A C 2.094 179.684 177.584 0.010 0.000 1.164 81 A CA 1.652 53.690 52.037 0.003 0.000 0.644 81 A CB -0.821 18.176 19.000 -0.005 0.000 0.805 81 A HN 0.458 nan 8.150 nan 0.000 0.449 82 G N -2.484 106.347 108.800 0.052 0.000 3.337 82 G HA2 0.410 4.376 3.960 0.009 0.000 0.246 82 G HA3 0.410 4.376 3.960 0.009 0.000 0.246 82 G C 0.995 176.031 174.900 0.227 0.000 1.131 82 G CA 0.429 45.595 45.100 0.110 0.000 0.773 82 G HN 1.559 nan 8.290 nan 0.000 0.544 83 G N -0.634 108.279 108.800 0.188 0.000 2.175 83 G HA2 -0.248 3.718 3.960 0.009 0.000 0.244 83 G HA3 -0.248 3.718 3.960 0.009 0.000 0.244 83 G C 0.303 175.304 174.900 0.168 0.000 0.982 83 G CA 0.293 45.553 45.100 0.266 0.000 0.641 83 G HN 0.563 nan 8.290 nan 0.000 0.527 84 T N 1.205 115.826 114.554 0.111 0.000 2.767 84 T HA 0.536 4.892 4.350 0.009 0.000 0.288 84 T C 1.291 176.023 174.700 0.053 0.000 0.963 84 T CA 0.568 62.706 62.100 0.063 0.000 1.019 84 T CB 1.394 70.288 68.868 0.043 0.000 0.923 84 T HN 0.634 nan 8.240 nan 0.000 0.468 85 T N 0.358 114.938 114.554 0.043 0.000 3.040 85 T HA 0.458 4.813 4.350 0.009 0.000 0.266 85 T C 0.166 174.886 174.700 0.033 0.000 1.005 85 T CA -0.381 61.747 62.100 0.047 0.000 0.906 85 T CB 0.090 68.987 68.868 0.049 0.000 1.082 85 T HN 0.517 nan 8.240 nan 0.000 0.531 86 M N 2.268 121.876 119.600 0.013 0.000 2.371 86 M HA 0.585 5.071 4.480 0.009 0.000 0.287 86 M C -1.938 174.360 176.300 -0.002 0.000 1.149 86 M CA -0.979 54.320 55.300 -0.002 0.000 0.929 86 M CB 2.481 35.050 32.600 -0.052 0.000 1.683 86 M HN 0.080 nan 8.290 nan 0.000 0.470 87 V N 2.012 121.940 119.914 0.023 0.000 2.815 87 V HA 0.918 5.043 4.120 0.009 0.000 0.314 87 V C -1.264 174.826 176.094 -0.006 0.000 1.064 87 V CA -0.631 61.675 62.300 0.010 0.000 0.952 87 V CB 1.832 33.649 31.823 -0.009 0.000 1.020 87 V HN 0.644 nan 8.190 nan 0.000 0.439 88 V N 2.950 122.824 119.914 -0.067 0.000 2.444 88 V HA 0.510 4.636 4.120 0.009 0.000 0.294 88 V C -0.486 175.506 176.094 -0.170 0.000 1.022 88 V CA -0.152 62.022 62.300 -0.210 0.000 0.850 88 V CB 1.144 32.658 31.823 -0.514 0.000 0.992 88 V HN 1.122 nan 8.190 nan 0.000 0.426 89 D N 2.399 122.824 120.400 0.042 0.000 2.326 89 D HA 0.628 5.274 4.640 0.009 0.000 0.251 89 D C -1.160 175.155 176.300 0.025 0.000 1.023 89 D CA -0.424 53.693 54.000 0.195 0.000 0.966 89 D CB 1.454 42.637 40.800 0.637 0.000 1.156 89 D HN 0.354 nan 8.370 nan 0.000 0.494 90 F N 1.204 121.269 119.950 0.191 0.000 2.361 90 F HA 0.478 5.011 4.527 0.009 0.000 0.364 90 F C 0.473 176.005 175.800 -0.447 0.000 1.117 90 F CA -0.942 57.078 58.000 0.034 0.000 1.071 90 F CB 1.421 40.515 39.000 0.157 0.000 1.188 90 F HN 0.261 nan 8.300 nan 0.000 0.464 91 A N 5.743 128.101 122.820 -0.769 0.000 2.491 91 A HA 0.483 4.808 4.320 0.009 0.000 0.261 91 A C -0.428 176.568 177.584 -0.980 0.000 1.101 91 A CA -0.192 50.812 52.037 -1.722 0.000 0.772 91 A CB -0.102 18.288 19.000 -1.018 0.000 1.043 91 A HN 0.805 nan 8.150 nan 0.000 0.501 92 L N 5.488 125.958 121.223 -1.255 0.000 2.324 92 L HA 0.326 4.672 4.340 0.009 0.000 0.274 92 L C -2.316 174.521 176.870 -0.055 0.000 1.012 92 L CA -1.895 52.764 54.840 -0.302 0.000 0.859 92 L CB 1.628 43.671 42.059 -0.027 0.000 1.224 92 L HN 0.474 nan 8.230 nan 0.000 0.429 93 P HA 0.412 nan 4.420 nan 0.000 0.275 93 P C -0.443 176.967 177.300 0.184 0.000 1.227 93 P CA 0.092 63.296 63.100 0.174 0.000 0.781 93 P CB 1.416 33.284 31.700 0.281 0.000 0.906 97 Q N 1.288 120.903 119.800 -0.308 0.000 2.288 97 Q HA 0.543 4.889 4.340 0.009 0.000 0.254 97 Q C 0.579 176.786 176.000 0.345 0.000 0.932 97 Q CA -0.238 55.598 55.803 0.055 0.000 0.902 97 Q CB 0.989 29.773 28.738 0.076 0.000 1.203 97 Q HN 0.190 nan 8.270 nan 0.000 0.415 98 S N 3.658 119.523 115.700 0.275 0.000 2.573 98 S HA -0.063 4.412 4.470 0.009 0.000 0.297 98 S C 1.388 176.119 174.600 0.218 0.000 1.280 98 S CA -0.183 58.176 58.200 0.265 0.000 1.061 98 S CB 0.181 63.477 63.200 0.160 0.000 0.812 98 S HN 0.722 nan 8.310 nan 0.000 0.500 99 L N 4.761 126.089 121.223 0.175 0.000 2.127 99 L HA -0.171 4.175 4.340 0.009 0.000 0.211 99 L C 2.174 179.103 176.870 0.099 0.000 1.089 99 L CA 1.306 56.221 54.840 0.125 0.000 0.757 99 L CB -0.668 41.453 42.059 0.104 0.000 0.899 99 L HN 0.701 nan 8.230 nan 0.000 0.434 100 L N -0.639 120.639 121.223 0.092 0.000 2.109 100 L HA -0.131 4.214 4.340 0.009 0.000 0.207 100 L C 2.462 179.377 176.870 0.076 0.000 1.086 100 L CA 1.004 55.888 54.840 0.072 0.000 0.760 100 L CB -0.457 41.638 42.059 0.061 0.000 0.910 100 L HN 0.238 nan 8.230 nan 0.000 0.437 101 E N 0.528 120.784 120.200 0.093 0.000 2.072 101 E HA -0.183 4.172 4.350 0.009 0.000 0.191 101 E C 2.371 179.044 176.600 0.122 0.000 0.985 101 E CA 1.083 57.540 56.400 0.095 0.000 0.801 101 E CB -0.175 29.583 29.700 0.097 0.000 0.750 101 E HN 0.482 nan 8.360 nan 0.000 0.452 102 A N 1.361 124.262 122.820 0.135 0.000 1.902 102 A HA -0.187 4.138 4.320 0.009 0.000 0.217 102 A C 2.182 179.854 177.584 0.146 0.000 1.181 102 A CA 1.135 53.272 52.037 0.166 0.000 0.623 102 A CB -0.581 18.460 19.000 0.069 0.000 0.818 102 A HN 0.234 nan 8.150 nan 0.000 0.443 103 L N -0.094 121.163 121.223 0.057 0.000 2.012 103 L HA -0.141 4.205 4.340 0.009 0.000 0.210 103 L C 2.453 179.356 176.870 0.056 0.000 1.073 103 L CA 2.916 57.769 54.840 0.022 0.000 0.748 103 L CB -1.238 40.839 42.059 0.030 0.000 0.891 103 L HN 0.382 nan 8.230 nan 0.000 0.431 104 T N -0.413 114.178 114.554 0.062 0.000 2.699 104 T HA -0.312 4.044 4.350 0.009 0.000 0.268 104 T C 1.881 176.610 174.700 0.049 0.000 1.036 104 T CA 2.164 64.292 62.100 0.046 0.000 1.147 104 T CB -0.351 68.542 68.868 0.041 0.000 0.862 104 T HN 0.403 nan 8.240 nan 0.000 0.446 105 M N -0.502 119.159 119.600 0.101 0.000 2.108 105 M HA -0.083 4.403 4.480 0.009 0.000 0.261 105 M C 2.096 178.377 176.300 -0.032 0.000 1.066 105 M CA 1.713 57.057 55.300 0.074 0.000 1.107 105 M CB -0.137 32.582 32.600 0.199 0.000 1.356 105 M HN 0.366 nan 8.290 nan 0.000 0.406 106 W N 0.665 121.822 121.300 -0.239 0.000 2.418 106 W HA -0.170 4.496 4.660 0.010 0.000 0.292 106 W C 1.831 178.136 176.519 -0.357 0.000 1.213 106 W CA 0.926 57.990 57.345 -0.468 0.000 1.283 106 W CB -0.434 28.417 29.460 -1.014 0.000 1.119 106 W HN 0.311 nan 8.180 nan 0.000 0.542 107 D N 0.133 120.552 120.400 0.032 0.000 2.116 107 D HA -0.199 4.446 4.640 0.009 0.000 0.193 107 D C 1.548 177.814 176.300 -0.057 0.000 0.998 107 D CA 1.375 55.439 54.000 0.106 0.000 0.836 107 D CB -0.715 40.127 40.800 0.069 0.000 0.951 107 D HN 0.106 nan 8.370 nan 0.000 0.449 108 N N 0.685 119.329 118.700 -0.094 0.000 2.223 108 N HA -0.106 4.640 4.740 0.009 0.000 0.185 108 N C 1.585 176.971 175.510 -0.208 0.000 1.016 108 N CA 0.615 53.593 53.050 -0.121 0.000 0.863 108 N CB -0.114 38.318 38.487 -0.093 0.000 0.983 108 N HN 0.272 nan 8.380 nan 0.000 0.429 109 K N 0.259 120.457 120.400 -0.336 0.000 2.288 109 K HA 0.049 4.375 4.320 0.009 0.000 0.201 109 K C 1.162 177.419 176.600 -0.571 0.000 1.048 109 K CA 0.932 56.962 56.287 -0.428 0.000 0.956 109 K CB 0.137 32.255 32.500 -0.637 0.000 0.746 109 K HN 0.222 nan 8.250 nan 0.000 0.461 110 S N -0.694 114.576 115.700 -0.718 0.000 2.568 110 S HA -0.019 4.456 4.470 0.009 0.000 0.232 110 S C 1.491 175.803 174.600 -0.481 0.000 0.975 110 S CA 0.137 57.667 58.200 -1.117 0.000 0.949 110 S CB 0.234 62.483 63.200 -1.585 0.000 0.829 110 S HN 0.246 nan 8.310 nan 0.000 0.479 111 T N 0.740 115.150 114.554 -0.240 0.000 2.962 111 T HA 0.014 4.369 4.350 0.009 0.000 0.270 111 T C 1.459 176.141 174.700 -0.030 0.000 1.088 111 T CA 0.539 62.589 62.100 -0.084 0.000 1.127 111 T CB -0.405 68.430 68.868 -0.055 0.000 0.883 111 T HN 0.463 nan 8.240 nan 0.000 0.493 112 R N 1.132 121.615 120.500 -0.030 0.000 2.427 112 R HA 0.569 4.915 4.340 0.009 0.000 0.262 112 R C 0.768 177.110 176.300 0.070 0.000 0.943 112 R CA -0.041 56.075 56.100 0.026 0.000 1.081 112 R CB 0.170 30.484 30.300 0.024 0.000 1.166 112 R HN 0.430 nan 8.270 nan 0.000 0.534 113 A N 1.373 124.237 122.820 0.073 0.000 2.540 113 A HA -0.012 4.314 4.320 0.009 0.000 0.239 113 A C 0.547 178.236 177.584 0.174 0.000 1.061 113 A CA -0.029 52.101 52.037 0.154 0.000 0.758 113 A CB 0.200 19.294 19.000 0.155 0.000 0.991 113 A HN 0.300 nan 8.150 nan 0.000 0.502 114 N N 0.027 118.826 118.700 0.164 0.000 2.392 114 N HA 0.032 4.777 4.740 0.009 0.000 0.177 114 N C 0.371 176.025 175.510 0.240 0.000 1.066 114 N CA 1.203 54.355 53.050 0.170 0.000 0.895 114 N CB -0.191 38.357 38.487 0.102 0.000 0.988 114 N HN 0.874 nan 8.380 nan 0.000 0.457 115 C N -1.058 118.378 119.300 0.226 0.000 3.285 115 C HA 0.566 5.032 4.460 0.009 0.000 0.320 115 C C -0.546 174.568 174.990 0.207 0.000 1.411 115 C CA -1.204 57.945 59.018 0.218 0.000 1.429 115 C CB 1.250 29.078 27.740 0.147 0.000 1.812 115 C HN -0.017 nan 8.230 nan 0.000 0.454 116 D N 0.381 120.835 120.400 0.090 0.000 2.377 116 D HA 0.625 5.270 4.640 0.009 0.000 0.245 116 D C -0.621 175.703 176.300 0.040 0.000 1.196 116 D CA 0.673 54.663 54.000 -0.018 0.000 0.962 116 D CB 0.588 41.287 40.800 -0.168 0.000 1.127 116 D HN 0.878 nan 8.370 nan 0.000 0.471 117 Y N -2.880 117.344 120.300 -0.126 0.000 2.604 117 Y HA 0.593 5.149 4.550 0.009 0.000 0.331 117 Y C -0.979 174.709 175.900 -0.353 0.000 1.158 117 Y CA -0.938 57.101 58.100 -0.102 0.000 1.056 117 Y CB 0.863 39.415 38.460 0.154 0.000 1.330 117 Y HN 0.277 nan 8.280 nan 0.000 0.457 118 S N 0.734 116.265 115.700 -0.281 0.000 2.819 118 S HA 0.866 5.342 4.470 0.009 0.000 0.299 118 S C -2.245 172.168 174.600 -0.312 0.000 1.192 118 S CA -0.630 57.205 58.200 -0.609 0.000 0.847 118 S CB 1.064 63.831 63.200 -0.722 0.000 1.224 118 S HN 0.525 nan 8.310 nan 0.000 0.537 119 F N 1.432 121.401 119.950 0.033 0.000 2.576 119 F HA 0.547 5.079 4.527 0.009 0.000 0.313 119 F C 0.262 175.821 175.800 -0.402 0.000 1.078 119 F CA -0.847 57.084 58.000 -0.114 0.000 0.921 119 F CB 1.202 40.255 39.000 0.089 0.000 1.232 119 F HN 0.474 nan 8.300 nan 0.000 0.459 120 H N 1.740 120.703 119.070 -0.178 0.000 2.472 120 H HA 0.448 5.010 4.556 0.009 0.000 0.335 120 H C -0.676 174.538 175.328 -0.189 0.000 1.136 120 H CA -0.685 55.175 56.048 -0.314 0.000 1.264 120 H CB 2.128 31.551 29.762 -0.565 0.000 1.486 120 H HN 0.491 nan 8.280 nan 0.000 0.517 121 M N 2.012 121.551 119.600 -0.101 0.000 2.129 121 M HA 0.427 4.913 4.480 0.009 0.000 0.348 121 M C -0.694 175.677 176.300 0.119 0.000 1.116 121 M CA -0.565 54.717 55.300 -0.029 0.000 1.022 121 M CB 0.583 33.171 32.600 -0.020 0.000 1.599 121 M HN 0.608 nan 8.290 nan 0.000 0.449 122 A N 5.878 128.773 122.820 0.125 0.000 2.331 122 A HA 0.644 4.969 4.320 0.009 0.000 0.283 122 A C -0.553 177.126 177.584 0.158 0.000 1.142 122 A CA -0.608 51.533 52.037 0.174 0.000 0.812 122 A CB 0.139 19.321 19.000 0.305 0.000 1.074 122 A HN 0.781 nan 8.150 nan 0.000 0.497 123 I N 4.066 124.679 120.570 0.071 0.000 2.310 123 I HA 0.152 4.328 4.170 0.009 0.000 0.287 123 I C 1.203 177.436 176.117 0.192 0.000 1.073 123 I CA 0.262 61.604 61.300 0.071 0.000 1.216 123 I CB 0.090 38.077 38.000 -0.020 0.000 1.415 123 I HN 0.798 nan 8.210 nan 0.000 0.480 124 T N 1.963 116.689 114.554 0.287 0.000 3.054 124 T HA 0.152 4.507 4.350 0.009 0.000 0.255 124 T C 0.020 175.017 174.700 0.495 0.000 1.035 124 T CA -0.229 62.109 62.100 0.396 0.000 0.941 124 T CB 0.293 69.382 68.868 0.368 0.000 1.026 124 T HN 0.599 nan 8.240 nan 0.000 0.533 125 W N -1.188 120.241 121.300 0.215 0.000 2.989 125 W HA 0.576 5.242 4.660 0.010 0.000 0.344 125 W C -2.350 174.356 176.519 0.313 0.000 1.233 125 W CA -2.270 55.205 57.345 0.216 0.000 1.187 125 W CB 0.190 29.730 29.460 0.135 0.000 1.443 125 W HN 0.048 nan 8.180 nan 0.000 0.573 126 W N 1.793 123.172 121.300 0.132 0.000 2.883 126 W HA 0.534 5.200 4.660 0.011 0.000 0.335 126 W C -0.960 175.544 176.519 -0.024 0.000 1.083 126 W CA -0.215 57.074 57.345 -0.093 0.000 1.233 126 W CB 2.241 31.704 29.460 0.005 0.000 1.412 126 W HN 0.947 nan 8.180 nan 0.000 0.490 127 G N 0.594 108.716 108.800 -1.129 0.000 2.430 127 G HA2 0.316 4.282 3.960 0.009 0.000 0.300 127 G HA3 0.316 4.282 3.960 0.009 0.000 0.300 127 G C 0.090 174.528 174.900 -0.770 0.000 1.330 127 G CA 0.227 44.927 45.100 -0.666 0.000 0.813 127 G HN 0.569 nan 8.290 nan 0.000 0.487 128 E N -0.731 119.248 120.200 -0.369 0.000 2.085 128 E HA -0.214 4.142 4.350 0.009 0.000 0.194 128 E C 2.217 178.692 176.600 -0.210 0.000 0.994 128 E CA 2.225 58.467 56.400 -0.265 0.000 0.801 128 E CB -0.690 28.925 29.700 -0.141 0.000 0.743 128 E HN 0.742 nan 8.360 nan 0.000 0.453 129 Q N -0.112 119.577 119.800 -0.184 0.000 2.084 129 Q HA -0.126 4.219 4.340 0.009 0.000 0.202 129 Q C 2.401 178.240 176.000 -0.270 0.000 0.978 129 Q CA 1.942 57.675 55.803 -0.118 0.000 0.844 129 Q CB -0.255 28.522 28.738 0.064 0.000 0.898 129 Q HN 0.461 nan 8.270 nan 0.000 0.426 130 V N 0.779 120.328 119.914 -0.608 0.000 2.295 130 V HA -0.242 3.884 4.120 0.009 0.000 0.246 130 V C 2.053 177.824 176.094 -0.539 0.000 1.049 130 V CA 1.956 63.841 62.300 -0.692 0.000 1.024 130 V CB -0.935 30.230 31.823 -1.096 0.000 0.648 130 V HN 0.449 nan 8.190 nan 0.000 0.447 131 F N 2.079 121.511 119.950 -0.863 0.000 2.045 131 F HA -0.309 4.223 4.527 0.009 0.000 0.297 131 F C 2.408 178.065 175.800 -0.239 0.000 1.114 131 F CA 2.468 60.170 58.000 -0.497 0.000 1.207 131 F CB -0.424 38.326 39.000 -0.417 0.000 0.964 131 F HN 0.202 nan 8.300 nan 0.000 0.486 132 N N 0.589 119.284 118.700 -0.008 0.000 2.084 132 N HA -0.179 4.566 4.740 0.009 0.000 0.190 132 N C 1.771 177.217 175.510 -0.107 0.000 1.030 132 N CA 1.912 54.944 53.050 -0.031 0.000 0.849 132 N CB -0.674 37.839 38.487 0.043 0.000 1.012 132 N HN 0.531 nan 8.380 nan 0.000 0.423 133 E N 0.391 120.528 120.200 -0.105 0.000 2.204 133 E HA -0.032 4.323 4.350 0.009 0.000 0.194 133 E C 1.925 178.500 176.600 -0.042 0.000 0.989 133 E CA 0.470 56.838 56.400 -0.052 0.000 0.824 133 E CB -0.100 29.583 29.700 -0.028 0.000 0.756 133 E HN 0.356 nan 8.360 nan 0.000 0.477 134 M N 0.575 120.087 119.600 -0.146 0.000 2.106 134 M HA -0.237 4.249 4.480 0.009 0.000 0.259 134 M C 2.361 178.653 176.300 -0.013 0.000 1.068 134 M CA 1.486 56.700 55.300 -0.143 0.000 1.100 134 M CB -0.221 32.070 32.600 -0.516 0.000 1.351 134 M HN 0.093 nan 8.290 nan 0.000 0.404 135 E N -0.164 119.968 120.200 -0.114 0.000 2.058 135 E HA -0.194 4.162 4.350 0.009 0.000 0.194 135 E C 1.691 178.304 176.600 0.022 0.000 0.997 135 E CA 1.958 58.325 56.400 -0.055 0.000 0.801 135 E CB 0.075 29.721 29.700 -0.092 0.000 0.746 135 E HN 0.444 nan 8.360 nan 0.000 0.450 136 T N 1.573 116.140 114.554 0.023 0.000 2.746 136 T HA -0.126 4.229 4.350 0.009 0.000 0.267 136 T C 1.849 176.592 174.700 0.071 0.000 1.039 136 T CA 1.044 63.169 62.100 0.042 0.000 1.142 136 T CB -0.083 68.806 68.868 0.034 0.000 0.866 136 T HN 0.156 nan 8.240 nan 0.000 0.444 137 I N 1.094 121.731 120.570 0.112 0.000 2.163 137 I HA -0.117 4.059 4.170 0.009 0.000 0.243 137 I C 2.514 178.699 176.117 0.113 0.000 1.085 137 I CA 1.176 62.560 61.300 0.140 0.000 1.347 137 I CB -1.313 36.845 38.000 0.264 0.000 1.044 137 I HN 0.135 nan 8.210 nan 0.000 0.408 138 V N 0.696 120.701 119.914 0.152 0.000 2.323 138 V HA -0.197 3.928 4.120 0.009 0.000 0.244 138 V C 2.399 178.532 176.094 0.065 0.000 1.041 138 V CA 1.595 63.953 62.300 0.098 0.000 1.025 138 V CB -0.504 31.396 31.823 0.127 0.000 0.656 138 V HN 0.378 nan 8.190 nan 0.000 0.451 139 K N -0.685 119.756 120.400 0.068 0.000 2.262 139 K HA -0.011 4.315 4.320 0.009 0.000 0.200 139 K C 1.246 177.878 176.600 0.052 0.000 1.049 139 K CA 1.050 57.374 56.287 0.062 0.000 0.979 139 K CB 0.084 32.620 32.500 0.060 0.000 0.773 139 K HN 0.401 nan 8.250 nan 0.000 0.474 140 D N -0.367 120.064 120.400 0.051 0.000 2.473 140 D HA 0.030 4.675 4.640 0.009 0.000 0.230 140 D C 1.085 177.411 176.300 0.044 0.000 1.097 140 D CA 0.487 54.512 54.000 0.042 0.000 0.861 140 D CB 0.609 41.430 40.800 0.035 0.000 1.114 140 D HN -0.095 nan 8.370 nan 0.000 0.500 141 K N 0.054 120.487 120.400 0.055 0.000 2.374 141 K HA 0.287 4.613 4.320 0.009 0.000 0.202 141 K C 0.946 177.625 176.600 0.133 0.000 1.040 141 K CA 0.174 56.495 56.287 0.056 0.000 1.085 141 K CB 1.318 33.841 32.500 0.039 0.000 0.873 141 K HN 0.085 nan 8.250 nan 0.000 0.539 142 G N 2.230 111.100 108.800 0.118 0.000 2.221 142 G HA2 -0.261 3.705 3.960 0.009 0.000 0.265 142 G HA3 -0.261 3.705 3.960 0.009 0.000 0.265 142 G C -0.050 174.905 174.900 0.091 0.000 1.041 142 G CA 0.168 45.341 45.100 0.122 0.000 0.807 142 G HN 0.306 nan 8.290 nan 0.000 0.502 143 I N 0.475 121.068 120.570 0.039 0.000 2.418 143 I HA 0.322 4.497 4.170 0.009 0.000 0.287 143 I C 0.330 176.320 176.117 -0.211 0.000 1.008 143 I CA -1.036 60.220 61.300 -0.074 0.000 1.104 143 I CB 1.740 39.710 38.000 -0.050 0.000 1.264 143 I HN 0.172 nan 8.210 nan 0.000 0.438 144 N N 2.946 121.500 118.700 -0.243 0.000 2.235 144 N HA 0.087 4.833 4.740 0.009 0.000 0.231 144 N C -0.363 174.981 175.510 -0.277 0.000 1.177 144 N CA -0.367 52.549 53.050 -0.222 0.000 0.874 144 N CB 0.496 38.897 38.487 -0.143 0.000 1.097 144 N HN 0.537 nan 8.380 nan 0.000 0.518 145 T N -2.825 111.463 114.554 -0.443 0.000 2.900 145 T HA 0.720 5.076 4.350 0.009 0.000 0.295 145 T C -0.753 173.580 174.700 -0.611 0.000 1.044 145 T CA -0.652 61.249 62.100 -0.332 0.000 0.995 145 T CB 1.362 70.173 68.868 -0.094 0.000 1.072 145 T HN -0.025 nan 8.240 nan 0.000 0.473 149 F N 2.593 122.704 119.950 0.269 0.000 2.411 149 F HA 0.325 4.858 4.527 0.010 0.000 0.352 149 F C 1.139 177.051 175.800 0.185 0.000 1.123 149 F CA -0.555 57.576 58.000 0.219 0.000 1.044 149 F CB 1.328 40.444 39.000 0.193 0.000 1.135 149 F HN 0.515 nan 8.300 nan 0.000 0.461 150 M N 2.339 122.130 119.600 0.319 0.000 2.495 150 M HA 0.283 4.769 4.480 0.009 0.000 0.237 150 M C 0.596 176.990 176.300 0.156 0.000 1.131 150 M CA 0.263 55.688 55.300 0.209 0.000 1.032 150 M CB 0.228 32.927 32.600 0.165 0.000 1.513 150 M HN 0.649 nan 8.290 nan 0.000 0.488 151 A N -1.712 121.178 122.820 0.116 0.000 2.686 151 A HA 0.644 4.969 4.320 0.009 0.000 0.263 151 A C -0.937 176.592 177.584 -0.092 0.000 1.264 151 A CA -0.555 51.448 52.037 -0.056 0.000 0.799 151 A CB 0.323 19.220 19.000 -0.172 0.000 1.363 151 A HN 0.364 nan 8.150 nan 0.000 0.507 152 Y N -1.034 119.296 120.300 0.050 0.000 3.178 152 Y HA -0.153 4.403 4.550 0.010 0.000 0.200 152 Y C 0.463 176.375 175.900 0.020 0.000 1.427 152 Y CA 0.786 58.891 58.100 0.008 0.000 1.250 152 Y CB -1.879 36.546 38.460 -0.058 0.000 1.421 152 Y HN 0.707 nan 8.280 nan 0.000 0.506 153 K N 0.926 121.401 120.400 0.125 0.000 2.484 153 K HA 0.309 4.634 4.320 0.009 0.000 0.280 153 K C 1.421 178.069 176.600 0.079 0.000 1.013 153 K CA 1.238 57.581 56.287 0.094 0.000 1.029 153 K CB -0.031 32.507 32.500 0.063 0.000 0.902 153 K HN 0.876 nan 8.250 nan 0.000 0.481 154 G N 2.146 110.989 108.800 0.073 0.000 2.205 154 G HA2 -0.339 3.626 3.960 0.009 0.000 0.261 154 G HA3 -0.339 3.626 3.960 0.009 0.000 0.261 154 G C 0.503 175.426 174.900 0.039 0.000 0.980 154 G CA 0.571 45.699 45.100 0.046 0.000 0.632 154 G HN 0.815 nan 8.290 nan 0.000 0.533 155 A N -1.128 121.728 122.820 0.060 0.000 2.008 155 A HA 0.771 5.096 4.320 0.009 0.000 0.201 155 A C 1.736 179.350 177.584 0.051 0.000 1.794 155 A CA 1.242 53.297 52.037 0.031 0.000 0.952 155 A CB 0.172 19.166 19.000 -0.009 0.000 1.147 155 A HN 0.730 nan 8.150 nan 0.000 0.589 156 L N -0.753 120.519 121.223 0.081 0.000 3.174 156 L HA 0.381 4.727 4.340 0.009 0.000 0.283 156 L C 0.657 177.671 176.870 0.241 0.000 1.187 156 L CA -0.075 54.810 54.840 0.075 0.000 1.018 156 L CB 0.540 42.433 42.059 -0.278 0.000 1.433 156 L HN 0.427 nan 8.230 nan 0.000 0.593 157 M N 2.395 122.131 119.600 0.228 0.000 2.245 157 M HA 0.296 4.782 4.480 0.009 0.000 0.344 157 M C -0.323 176.120 176.300 0.239 0.000 1.170 157 M CA -0.054 55.395 55.300 0.249 0.000 1.135 157 M CB 0.926 33.631 32.600 0.175 0.000 1.574 157 M HN -0.042 nan 8.290 nan 0.000 0.452 158 V N 1.614 121.672 119.914 0.241 0.000 2.919 158 V HA 0.734 4.860 4.120 0.009 0.000 0.316 158 V C -0.831 175.332 176.094 0.116 0.000 1.077 158 V CA -0.956 61.461 62.300 0.195 0.000 0.977 158 V CB 1.747 33.703 31.823 0.223 0.000 1.039 158 V HN 0.926 nan 8.190 nan 0.000 0.441 159 D N 0.125 120.568 120.400 0.072 0.000 2.569 159 D HA 0.362 5.007 4.640 0.009 0.000 0.266 159 D C 0.403 176.674 176.300 -0.049 0.000 1.164 159 D CA -0.483 53.530 54.000 0.022 0.000 1.071 159 D CB 0.686 41.506 40.800 0.034 0.000 1.183 159 D HN 0.390 nan 8.370 nan 0.000 0.613 160 D N -0.835 119.525 120.400 -0.066 0.000 2.144 160 D HA -0.129 4.517 4.640 0.009 0.000 0.199 160 D C 1.226 177.452 176.300 -0.123 0.000 0.984 160 D CA 1.236 55.160 54.000 -0.127 0.000 0.834 160 D CB -0.258 40.475 40.800 -0.112 0.000 0.955 160 D HN 0.588 nan 8.370 nan 0.000 0.465 161 D N 0.553 120.912 120.400 -0.068 0.000 2.084 161 D HA -0.131 4.515 4.640 0.009 0.000 0.194 161 D C 1.800 178.002 176.300 -0.163 0.000 0.990 161 D CA 1.126 55.097 54.000 -0.047 0.000 0.826 161 D CB 0.133 40.930 40.800 -0.005 0.000 0.971 161 D HN 0.172 nan 8.370 nan 0.000 0.453 162 E N -0.244 119.849 120.200 -0.178 0.000 2.058 162 E HA -0.236 4.120 4.350 0.009 0.000 0.194 162 E C 2.156 178.450 176.600 -0.511 0.000 0.997 162 E CA 1.092 57.276 56.400 -0.360 0.000 0.801 162 E CB -0.279 29.399 29.700 -0.037 0.000 0.746 162 E HN 0.414 nan 8.360 nan 0.000 0.450 163 M N 0.270 119.653 119.600 -0.361 0.000 2.117 163 M HA -0.179 4.306 4.480 0.009 0.000 0.262 163 M C 2.077 177.939 176.300 -0.729 0.000 1.065 163 M CA 1.402 56.340 55.300 -0.602 0.000 1.114 163 M CB -0.084 32.116 32.600 -0.666 0.000 1.361 163 M HN 0.087 nan 8.290 nan 0.000 0.408 164 F N 0.928 120.492 119.950 -0.642 0.000 2.134 164 F HA -0.130 4.402 4.527 0.009 0.000 0.299 164 F C 2.336 177.917 175.800 -0.364 0.000 1.097 164 F CA 1.693 59.416 58.000 -0.460 0.000 1.264 164 F CB -0.962 37.866 39.000 -0.287 0.000 1.001 164 F HN 0.190 nan 8.300 nan 0.000 0.479 165 S N -0.750 114.642 115.700 -0.513 0.000 2.370 165 S HA -0.241 4.235 4.470 0.009 0.000 0.226 165 S C 2.333 176.541 174.600 -0.653 0.000 1.033 165 S CA 1.520 59.333 58.200 -0.646 0.000 1.011 165 S CB -0.793 61.876 63.200 -0.884 0.000 0.852 165 S HN 0.510 nan 8.310 nan 0.000 0.457 166 S N 0.401 115.583 115.700 -0.863 0.000 2.368 166 S HA -0.039 4.436 4.470 0.009 0.000 0.224 166 S C 1.610 176.239 174.600 0.048 0.000 1.029 166 S CA 0.859 58.791 58.200 -0.448 0.000 0.988 166 S CB -0.427 62.724 63.200 -0.083 0.000 0.838 166 S HN 0.383 nan 8.310 nan 0.000 0.462 167 F N 2.028 121.848 119.950 -0.217 0.000 2.186 167 F HA 0.049 4.580 4.527 0.008 0.000 0.299 167 F C 2.611 178.364 175.800 -0.078 0.000 1.090 167 F CA 0.830 58.766 58.000 -0.106 0.000 1.307 167 F CB -1.214 37.760 39.000 -0.042 0.000 1.019 167 F HN 0.349 nan 8.300 nan 0.000 0.489 168 Q N -0.607 119.221 119.800 0.046 0.000 2.084 168 Q HA -0.218 4.127 4.340 0.009 0.000 0.202 168 Q C 2.307 178.316 176.000 0.015 0.000 0.978 168 Q CA 1.464 57.244 55.803 -0.038 0.000 0.844 168 Q CB -0.207 28.390 28.738 -0.235 0.000 0.898 168 Q HN 0.092 nan 8.270 nan 0.000 0.426 169 R N 0.503 121.019 120.500 0.027 0.000 2.081 169 R HA -0.102 4.243 4.340 0.009 0.000 0.235 169 R C 2.067 178.330 176.300 -0.062 0.000 1.131 169 R CA 1.612 57.703 56.100 -0.014 0.000 0.960 169 R CB -0.953 29.345 30.300 -0.003 0.000 0.856 169 R HN 0.302 nan 8.270 nan 0.000 0.436 170 C N -0.115 119.168 119.300 -0.028 0.000 2.398 170 C HA -0.111 4.355 4.460 0.009 0.000 0.276 170 C C 2.771 177.747 174.990 -0.024 0.000 1.222 170 C CA 0.985 60.004 59.018 0.002 0.000 1.746 170 C CB -1.401 26.364 27.740 0.041 0.000 2.039 170 C HN 0.676 nan 8.230 nan 0.000 0.470 171 A N 0.470 123.294 122.820 0.006 0.000 1.883 171 A HA -0.010 4.316 4.320 0.009 0.000 0.217 171 A C 2.376 179.993 177.584 0.056 0.000 1.186 171 A CA 2.345 54.400 52.037 0.030 0.000 0.624 171 A CB -0.991 18.048 19.000 0.065 0.000 0.822 171 A HN 0.629 nan 8.150 nan 0.000 0.444 172 A N -0.703 122.151 122.820 0.056 0.000 1.972 172 A HA 0.041 4.367 4.320 0.009 0.000 0.219 172 A C 1.996 179.662 177.584 0.137 0.000 1.169 172 A CA 1.456 53.556 52.037 0.105 0.000 0.635 172 A CB -0.448 18.591 19.000 0.065 0.000 0.810 172 A HN 0.475 nan 8.150 nan 0.000 0.446 173 L N -1.397 119.816 121.223 -0.016 0.000 2.567 173 L HA 0.220 4.566 4.340 0.009 0.000 0.225 173 L C 1.547 178.080 176.870 -0.562 0.000 1.119 173 L CA 0.440 55.227 54.840 -0.089 0.000 0.871 173 L CB -0.130 41.897 42.059 -0.053 0.000 1.036 173 L HN 0.552 nan 8.230 nan 0.000 0.459 174 G N 0.795 109.087 108.800 -0.847 0.000 2.176 174 G HA2 -0.242 3.723 3.960 0.009 0.000 0.252 174 G HA3 -0.242 3.723 3.960 0.009 0.000 0.252 174 G C 0.236 174.772 174.900 -0.606 0.000 1.024 174 G CA 0.246 44.481 45.100 -1.442 0.000 0.755 174 G HN 0.500 nan 8.290 nan 0.000 0.507 175 A N -1.051 121.613 122.820 -0.260 0.000 2.269 175 A HA 0.922 5.248 4.320 0.009 0.000 0.327 175 A C -0.211 177.368 177.584 -0.009 0.000 1.112 175 A CA -0.459 51.546 52.037 -0.054 0.000 0.865 175 A CB 1.528 20.664 19.000 0.227 0.000 1.227 175 A HN 1.517 nan 8.150 nan 0.000 0.498 176 L N 1.960 123.190 121.223 0.011 0.000 2.325 176 L HA 0.579 4.925 4.340 0.009 0.000 0.281 176 L C -2.471 174.411 176.870 0.019 0.000 1.004 176 L CA -1.965 52.875 54.840 0.000 0.000 0.823 176 L CB 1.883 43.945 42.059 0.004 0.000 1.236 176 L HN 0.429 nan 8.230 nan 0.000 0.415 177 P HA 0.228 nan 4.420 nan 0.000 0.280 177 P C -1.191 176.100 177.300 -0.016 0.000 1.244 177 P CA -0.318 62.747 63.100 -0.058 0.000 0.784 177 P CB 1.437 32.657 31.700 -0.801 0.000 0.913 178 L N 4.056 125.348 121.223 0.115 0.000 2.334 178 L HA 0.529 4.875 4.340 0.009 0.000 0.272 178 L C 0.104 177.073 176.870 0.164 0.000 1.020 178 L CA -0.608 54.278 54.840 0.076 0.000 0.812 178 L CB 1.898 43.883 42.059 -0.124 0.000 1.264 178 L HN 0.177 nan 8.230 nan 0.000 0.439 179 V N 0.574 120.557 119.914 0.115 0.000 2.686 179 V HA 0.261 4.387 4.120 0.009 0.000 0.306 179 V C -0.888 175.219 176.094 0.023 0.000 1.065 179 V CA -0.820 61.550 62.300 0.116 0.000 0.894 179 V CB 1.671 33.609 31.823 0.190 0.000 1.004 179 V HN 0.769 nan 8.190 nan 0.000 0.424 180 H N 3.830 122.838 119.070 -0.104 0.000 2.846 180 H HA 0.633 5.195 4.556 0.009 0.000 0.278 180 H C 0.248 175.662 175.328 0.143 0.000 1.117 180 H CA 0.030 56.112 56.048 0.056 0.000 1.406 180 H CB 0.913 30.778 29.762 0.171 0.000 1.445 180 H HN 0.878 nan 8.280 nan 0.000 0.469 181 A N 5.771 128.629 122.820 0.064 0.000 2.582 181 A HA 0.324 4.650 4.320 0.009 0.000 0.336 181 A C -0.510 177.111 177.584 0.061 0.000 1.445 181 A CA -0.547 51.544 52.037 0.090 0.000 0.997 181 A CB 0.052 19.082 19.000 0.051 0.000 1.148 181 A HN 0.891 nan 8.150 nan 0.000 0.514 182 E N 1.228 121.517 120.200 0.148 0.000 2.356 182 E HA 0.174 4.529 4.350 0.009 0.000 0.275 182 E C -1.048 175.601 176.600 0.082 0.000 0.904 182 E CA -1.031 55.420 56.400 0.085 0.000 0.757 182 E CB 1.633 31.391 29.700 0.096 0.000 1.232 182 E HN 0.560 nan 8.360 nan 0.000 0.442 183 N N 1.416 120.143 118.700 0.044 0.000 2.399 183 N HA 0.027 4.773 4.740 0.009 0.000 0.259 183 N C 0.676 176.206 175.510 0.033 0.000 1.160 183 N CA 0.199 53.271 53.050 0.037 0.000 0.946 183 N CB 1.139 39.639 38.487 0.022 0.000 1.156 183 N HN 0.765 nan 8.380 nan 0.000 0.489 184 G N 2.966 111.790 108.800 0.041 0.000 2.422 184 G HA2 -0.209 3.756 3.960 0.009 0.000 0.218 184 G HA3 -0.209 3.756 3.960 0.009 0.000 0.218 184 G C 1.038 175.957 174.900 0.031 0.000 1.140 184 G CA 0.370 45.488 45.100 0.030 0.000 0.775 184 G HN 0.558 nan 8.290 nan 0.000 0.545 185 D N 0.309 120.729 120.400 0.032 0.000 2.123 185 D HA -0.067 4.579 4.640 0.009 0.000 0.200 185 D C 2.791 179.106 176.300 0.025 0.000 0.976 185 D CA 0.626 54.642 54.000 0.028 0.000 0.831 185 D CB -0.260 40.555 40.800 0.025 0.000 0.974 185 D HN 0.183 nan 8.370 nan 0.000 0.469 186 V N 1.022 120.949 119.914 0.022 0.000 2.295 186 V HA -0.200 3.925 4.120 0.009 0.000 0.246 186 V C 2.725 178.834 176.094 0.025 0.000 1.049 186 V CA 1.004 63.316 62.300 0.021 0.000 1.024 186 V CB -0.450 31.383 31.823 0.016 0.000 0.648 186 V HN 0.033 nan 8.190 nan 0.000 0.447 187 V N 0.383 120.311 119.914 0.023 0.000 2.332 187 V HA -0.304 3.822 4.120 0.009 0.000 0.248 187 V C 2.722 178.841 176.094 0.042 0.000 1.055 187 V CA 2.157 64.472 62.300 0.026 0.000 1.038 187 V CB -1.199 30.630 31.823 0.010 0.000 0.651 187 V HN 0.573 nan 8.190 nan 0.000 0.450 188 A N -1.077 121.765 122.820 0.036 0.000 1.908 188 A HA -0.288 4.038 4.320 0.009 0.000 0.218 188 A C 2.199 179.804 177.584 0.036 0.000 1.181 188 A CA 1.984 54.042 52.037 0.034 0.000 0.627 188 A CB -0.472 18.545 19.000 0.029 0.000 0.818 188 A HN 0.622 nan 8.150 nan 0.000 0.445 189 Q N -0.676 119.145 119.800 0.034 0.000 2.079 189 Q HA -0.043 4.303 4.340 0.009 0.000 0.200 189 Q C 2.153 178.182 176.000 0.049 0.000 0.974 189 Q CA 1.190 57.013 55.803 0.034 0.000 0.840 189 Q CB -0.248 28.507 28.738 0.027 0.000 0.898 189 Q HN 0.689 nan 8.270 nan 0.000 0.430 190 L N 0.476 121.734 121.223 0.057 0.000 2.056 190 L HA -0.224 4.121 4.340 0.009 0.000 0.207 190 L C 2.474 179.427 176.870 0.138 0.000 1.078 190 L CA 1.188 56.075 54.840 0.078 0.000 0.749 190 L CB -0.413 41.684 42.059 0.065 0.000 0.901 190 L HN 0.290 nan 8.230 nan 0.000 0.433 191 Q N -0.155 119.739 119.800 0.156 0.000 2.077 191 Q HA -0.247 4.099 4.340 0.009 0.000 0.206 191 Q C 2.414 178.496 176.000 0.136 0.000 0.989 191 Q CA 1.924 57.866 55.803 0.231 0.000 0.853 191 Q CB -0.333 28.462 28.738 0.094 0.000 0.907 191 Q HN 0.569 nan 8.270 nan 0.000 0.418 192 A N 1.336 124.194 122.820 0.063 0.000 1.933 192 A HA -0.228 4.098 4.320 0.009 0.000 0.218 192 A C 2.010 179.630 177.584 0.060 0.000 1.175 192 A CA 1.665 53.722 52.037 0.033 0.000 0.628 192 A CB -0.453 18.557 19.000 0.015 0.000 0.814 192 A HN 0.268 nan 8.150 nan 0.000 0.444 193 K N -0.299 120.146 120.400 0.074 0.000 2.026 193 K HA -0.079 4.247 4.320 0.009 0.000 0.208 193 K C 1.868 178.529 176.600 0.102 0.000 1.048 193 K CA 1.455 57.785 56.287 0.072 0.000 0.929 193 K CB -0.329 32.207 32.500 0.060 0.000 0.713 193 K HN 0.426 nan 8.250 nan 0.000 0.439 194 L N 1.072 122.391 121.223 0.160 0.000 2.046 194 L HA -0.186 4.160 4.340 0.009 0.000 0.208 194 L C 2.430 179.438 176.870 0.228 0.000 1.077 194 L CA 1.043 56.009 54.840 0.210 0.000 0.747 194 L CB -0.359 41.874 42.059 0.291 0.000 0.896 194 L HN 0.233 nan 8.230 nan 0.000 0.432 195 L N -0.548 120.810 121.223 0.225 0.000 2.042 195 L HA -0.243 4.103 4.340 0.009 0.000 0.210 195 L C 2.843 179.766 176.870 0.088 0.000 1.076 195 L CA 1.309 56.230 54.840 0.136 0.000 0.749 195 L CB -0.824 41.247 42.059 0.021 0.000 0.893 195 L HN 0.283 nan 8.230 nan 0.000 0.432 196 A N -0.209 122.653 122.820 0.069 0.000 1.972 196 A HA -0.207 4.119 4.320 0.009 0.000 0.219 196 A C 2.059 179.674 177.584 0.052 0.000 1.169 196 A CA 1.545 53.611 52.037 0.048 0.000 0.635 196 A CB -0.387 18.635 19.000 0.037 0.000 0.810 196 A HN 0.467 nan 8.150 nan 0.000 0.446 197 E N -1.716 118.524 120.200 0.068 0.000 2.482 197 E HA 0.227 4.582 4.350 0.009 0.000 0.196 197 E C 1.182 177.824 176.600 0.070 0.000 1.047 197 E CA 0.338 56.775 56.400 0.061 0.000 0.869 197 E CB -0.099 29.640 29.700 0.064 0.000 0.836 197 E HN 0.749 nan 8.360 nan 0.000 0.520 198 G N 1.881 110.733 108.800 0.087 0.000 2.157 198 G HA2 -0.262 3.704 3.960 0.009 0.000 0.248 198 G HA3 -0.262 3.704 3.960 0.009 0.000 0.248 198 G C 0.199 175.172 174.900 0.122 0.000 0.979 198 G CA 0.008 45.163 45.100 0.092 0.000 0.650 198 G HN 0.205 nan 8.290 nan 0.000 0.529 199 N N 1.139 119.928 118.700 0.149 0.000 2.807 199 N HA 0.401 5.146 4.740 0.009 0.000 0.259 199 N C 1.312 176.966 175.510 0.240 0.000 1.149 199 N CA 0.579 53.729 53.050 0.167 0.000 1.042 199 N CB 0.423 39.007 38.487 0.162 0.000 1.367 199 N HN 0.497 nan 8.380 nan 0.000 0.516 200 S N -0.544 115.308 115.700 0.254 0.000 2.603 200 S HA 0.274 4.749 4.470 0.009 0.000 0.232 200 S C 0.983 175.842 174.600 0.432 0.000 1.016 200 S CA -0.536 57.914 58.200 0.418 0.000 0.976 200 S CB 0.335 63.689 63.200 0.258 0.000 0.921 200 S HN 0.288 nan 8.310 nan 0.000 0.516 201 G N 2.352 111.288 108.800 0.226 0.000 2.616 201 G HA2 0.471 4.437 3.960 0.009 0.000 0.268 201 G HA3 0.471 4.437 3.960 0.009 0.000 0.268 201 G C -1.755 173.111 174.900 -0.056 0.000 1.213 201 G CA -1.519 43.685 45.100 0.175 0.000 0.926 201 G HN 0.101 nan 8.290 nan 0.000 0.523 202 P HA -0.104 nan 4.420 nan 0.000 0.216 202 P C 1.802 178.790 177.300 -0.520 0.000 1.150 202 P CA 1.349 64.223 63.100 -0.377 0.000 0.837 202 P CB 0.135 31.490 31.700 -0.576 0.000 0.786 203 E N 0.663 120.577 120.200 -0.477 0.000 2.160 203 E HA -0.182 4.173 4.350 0.009 0.000 0.195 203 E C 1.777 177.625 176.600 -1.253 0.000 0.991 203 E CA 1.771 57.759 56.400 -0.686 0.000 0.810 203 E CB -1.338 28.170 29.700 -0.319 0.000 0.742 203 E HN 0.183 nan 8.360 nan 0.000 0.466 204 A N 1.098 123.263 122.820 -1.091 0.000 2.067 204 A HA -0.174 4.151 4.320 0.009 0.000 0.219 204 A C 2.003 178.716 177.584 -1.451 0.000 1.158 204 A CA 1.462 52.780 52.037 -1.198 0.000 0.661 204 A CB -0.957 17.499 19.000 -0.907 0.000 0.801 204 A HN 0.490 nan 8.150 nan 0.000 0.452 205 H N 0.437 118.688 119.070 -1.365 0.000 2.290 205 H HA -0.082 4.480 4.556 0.009 0.000 0.298 205 H C 2.169 177.202 175.328 -0.491 0.000 1.087 205 H CA 2.275 57.913 56.048 -0.684 0.000 1.291 205 H CB -0.263 29.271 29.762 -0.379 0.000 1.369 205 H HN 0.376 nan 8.280 nan 0.000 0.492 206 A N -0.114 122.302 122.820 -0.674 0.000 1.902 206 A HA -0.177 4.149 4.320 0.009 0.000 0.217 206 A C 2.050 179.537 177.584 -0.162 0.000 1.181 206 A CA 1.565 53.347 52.037 -0.426 0.000 0.623 206 A CB -1.004 17.771 19.000 -0.375 0.000 0.818 206 A HN 0.590 nan 8.150 nan 0.000 0.443 207 Y N 1.133 121.275 120.300 -0.263 0.000 2.293 207 Y HA -0.135 4.420 4.550 0.009 0.000 0.291 207 Y C 3.002 178.810 175.900 -0.154 0.000 1.137 207 Y CA 0.684 58.685 58.100 -0.166 0.000 1.202 207 Y CB -1.180 37.181 38.460 -0.165 0.000 0.990 207 Y HN 0.489 nan 8.280 nan 0.000 0.537 208 S N 1.188 116.849 115.700 -0.065 0.000 2.515 208 S HA -0.089 4.386 4.470 0.009 0.000 0.231 208 S C 0.909 175.486 174.600 -0.037 0.000 0.987 208 S CA 0.206 58.399 58.200 -0.012 0.000 0.936 208 S CB -0.492 62.754 63.200 0.076 0.000 0.766 208 S HN 0.611 nan 8.310 nan 0.000 0.528 209 R N 0.134 120.579 120.500 -0.092 0.000 2.684 209 R HA 0.451 4.796 4.340 0.009 0.000 0.252 209 R C -3.328 172.941 176.300 -0.052 0.000 1.628 209 R CA -1.543 54.511 56.100 -0.077 0.000 1.622 209 R CB 0.164 30.391 30.300 -0.123 0.000 1.418 209 R HN 0.169 nan 8.270 nan 0.000 0.697 210 P HA 0.056 nan 4.420 nan 0.000 0.272 210 P C 0.781 178.073 177.300 -0.014 0.000 1.240 210 P CA 0.023 63.126 63.100 0.006 0.000 0.791 210 P CB 1.035 32.750 31.700 0.025 0.000 0.978 211 A N 1.550 124.357 122.820 -0.022 0.000 1.997 211 A HA -0.238 4.088 4.320 0.009 0.000 0.221 211 A C 1.952 179.520 177.584 -0.027 0.000 1.172 211 A CA 1.579 53.575 52.037 -0.068 0.000 0.645 211 A CB -1.036 17.890 19.000 -0.122 0.000 0.813 211 A HN 0.548 nan 8.150 nan 0.000 0.454 212 E N -0.251 119.952 120.200 0.005 0.000 2.160 212 E HA -0.158 4.198 4.350 0.009 0.000 0.195 212 E C 2.270 178.871 176.600 0.001 0.000 0.991 212 E CA 1.608 58.014 56.400 0.010 0.000 0.810 212 E CB -0.701 29.009 29.700 0.016 0.000 0.742 212 E HN 0.739 nan 8.360 nan 0.000 0.466 213 V N -0.594 119.318 119.914 -0.004 0.000 2.548 213 V HA -0.142 3.983 4.120 0.009 0.000 0.249 213 V C 2.184 178.276 176.094 -0.002 0.000 1.055 213 V CA 2.049 64.348 62.300 -0.001 0.000 1.065 213 V CB -0.349 31.474 31.823 0.000 0.000 0.681 213 V HN 0.122 nan 8.190 nan 0.000 0.462 214 E N 1.335 121.524 120.200 -0.019 0.000 2.047 214 E HA -0.075 4.280 4.350 0.009 0.000 0.191 214 E C 2.221 178.814 176.600 -0.011 0.000 0.987 214 E CA 1.458 57.844 56.400 -0.024 0.000 0.799 214 E CB -0.702 28.960 29.700 -0.064 0.000 0.752 214 E HN 0.634 nan 8.360 nan 0.000 0.449 215 G N 1.451 110.245 108.800 -0.010 0.000 2.446 215 G HA2 -0.324 3.641 3.960 0.009 0.000 0.217 215 G HA3 -0.324 3.641 3.960 0.009 0.000 0.217 215 G C 1.530 176.434 174.900 0.005 0.000 1.168 215 G CA 0.880 45.983 45.100 0.003 0.000 0.771 215 G HN 0.272 nan 8.290 nan 0.000 0.551 216 E N 1.203 121.406 120.200 0.004 0.000 2.031 216 E HA -0.112 4.244 4.350 0.009 0.000 0.193 216 E C 2.833 179.437 176.600 0.006 0.000 0.994 216 E CA 1.383 57.785 56.400 0.003 0.000 0.800 216 E CB -0.477 29.225 29.700 0.003 0.000 0.752 216 E HN 0.280 nan 8.360 nan 0.000 0.447 217 A N 1.171 124.000 122.820 0.014 0.000 1.930 217 A HA -0.012 4.314 4.320 0.009 0.000 0.217 217 A C 2.440 180.041 177.584 0.029 0.000 1.175 217 A CA 2.057 54.109 52.037 0.025 0.000 0.627 217 A CB -0.668 18.360 19.000 0.046 0.000 0.815 217 A HN 0.370 nan 8.150 nan 0.000 0.443 218 A N 0.373 123.208 122.820 0.025 0.000 1.902 218 A HA -0.229 4.097 4.320 0.009 0.000 0.217 218 A C 1.961 179.558 177.584 0.022 0.000 1.181 218 A CA 2.110 54.163 52.037 0.027 0.000 0.623 218 A CB -0.767 18.244 19.000 0.017 0.000 0.818 218 A HN 0.631 nan 8.150 nan 0.000 0.443 219 N N -0.556 118.150 118.700 0.010 0.000 2.166 219 N HA -0.183 4.563 4.740 0.009 0.000 0.186 219 N C 1.876 177.383 175.510 -0.003 0.000 1.019 219 N CA 1.670 54.721 53.050 0.001 0.000 0.856 219 N CB -0.242 38.242 38.487 -0.004 0.000 0.993 219 N HN 0.537 nan 8.380 nan 0.000 0.426 220 R N -0.106 120.390 120.500 -0.006 0.000 2.066 220 R HA 0.027 4.372 4.340 0.009 0.000 0.232 220 R C 2.033 178.323 176.300 -0.016 0.000 1.131 220 R CA 1.414 57.498 56.100 -0.026 0.000 0.955 220 R CB -0.470 29.811 30.300 -0.032 0.000 0.851 220 R HN 0.239 nan 8.270 nan 0.000 0.432 221 A N 1.022 123.860 122.820 0.030 0.000 1.940 221 A HA -0.146 4.180 4.320 0.009 0.000 0.219 221 A C 2.181 179.865 177.584 0.167 0.000 1.176 221 A CA 1.576 53.686 52.037 0.121 0.000 0.631 221 A CB -0.581 18.527 19.000 0.179 0.000 0.814 221 A HN 0.409 nan 8.150 nan 0.000 0.446 222 I N -0.868 119.751 120.570 0.081 0.000 2.179 222 I HA -0.287 3.889 4.170 0.009 0.000 0.242 222 I C 2.750 178.892 176.117 0.043 0.000 1.088 222 I CA 1.654 62.985 61.300 0.052 0.000 1.357 222 I CB -0.312 37.695 38.000 0.011 0.000 1.051 222 I HN 0.410 nan 8.210 nan 0.000 0.409 223 M N 1.001 120.604 119.600 0.006 0.000 2.108 223 M HA -0.220 4.266 4.480 0.009 0.000 0.261 223 M C 2.337 178.608 176.300 -0.048 0.000 1.066 223 M CA 2.119 57.399 55.300 -0.032 0.000 1.107 223 M CB -0.491 32.067 32.600 -0.070 0.000 1.356 223 M HN 0.184 nan 8.290 nan 0.000 0.406 224 I N 0.312 120.855 120.570 -0.046 0.000 2.315 224 I HA -0.221 3.955 4.170 0.009 0.000 0.248 224 I C 2.580 178.842 176.117 0.241 0.000 1.117 224 I CA 1.054 62.293 61.300 -0.101 0.000 1.404 224 I CB -0.658 37.190 38.000 -0.253 0.000 1.071 224 I HN 0.319 nan 8.210 nan 0.000 0.419 225 A N 0.434 123.484 122.820 0.383 0.000 1.898 225 A HA -0.271 4.055 4.320 0.009 0.000 0.216 225 A C 1.997 179.681 177.584 0.167 0.000 1.181 225 A CA 2.125 54.354 52.037 0.320 0.000 0.620 225 A CB -0.633 18.405 19.000 0.064 0.000 0.819 225 A HN 0.424 nan 8.150 nan 0.000 0.442 226 D N -0.689 119.772 120.400 0.102 0.000 2.123 226 D HA -0.170 4.475 4.640 0.009 0.000 0.196 226 D C 1.940 178.297 176.300 0.095 0.000 0.992 226 D CA 1.588 55.632 54.000 0.073 0.000 0.833 226 D CB -0.154 40.669 40.800 0.037 0.000 0.954 226 D HN 0.263 nan 8.370 nan 0.000 0.455 227 M N 0.199 119.850 119.600 0.085 0.000 2.175 227 M HA 0.022 4.508 4.480 0.009 0.000 0.264 227 M C 2.288 178.792 176.300 0.340 0.000 1.063 227 M CA 1.109 56.485 55.300 0.127 0.000 1.119 227 M CB -1.123 31.415 32.600 -0.103 0.000 1.377 227 M HN 0.146 nan 8.290 nan 0.000 0.415 228 A N -0.483 122.603 122.820 0.445 0.000 2.119 228 A HA 0.306 4.632 4.320 0.009 0.000 0.216 228 A C 1.663 179.358 177.584 0.185 0.000 1.152 228 A CA 1.156 53.410 52.037 0.362 0.000 0.708 228 A CB -0.782 18.461 19.000 0.405 0.000 0.805 228 A HN 0.645 nan 8.150 nan 0.000 0.460 229 G N -1.180 107.713 108.800 0.155 0.000 2.212 229 G HA2 -0.225 3.741 3.960 0.009 0.000 0.255 229 G HA3 -0.225 3.741 3.960 0.009 0.000 0.255 229 G C 0.191 175.145 174.900 0.090 0.000 1.062 229 G CA 0.446 45.613 45.100 0.112 0.000 0.815 229 G HN 1.675 nan 8.290 nan 0.000 0.497 230 C N -2.510 116.828 119.300 0.062 0.000 2.707 230 C HA 0.951 5.416 4.460 0.009 0.000 0.313 230 C C -1.727 173.243 174.990 -0.034 0.000 1.209 230 C CA -2.608 56.415 59.018 0.008 0.000 1.635 230 C CB 1.802 29.514 27.740 -0.047 0.000 2.206 230 C HN 0.213 nan 8.230 nan 0.000 0.485 231 P HA 0.402 nan 4.420 nan 0.000 0.272 231 P C -0.640 176.594 177.300 -0.110 0.000 1.254 231 P CA -0.131 62.919 63.100 -0.084 0.000 0.795 231 P CB 0.480 32.176 31.700 -0.006 0.000 1.022 232 V N 0.623 120.472 119.914 -0.109 0.000 3.087 232 V HA 0.520 4.646 4.120 0.009 0.000 0.306 232 V C -2.053 174.112 176.094 0.118 0.000 1.187 232 V CA -0.806 61.449 62.300 -0.076 0.000 0.999 232 V CB 1.906 33.639 31.823 -0.150 0.000 1.049 232 V HN 0.449 nan 8.190 nan 0.000 0.431 233 Y N 6.002 126.320 120.300 0.030 0.000 2.338 233 Y HA 0.650 5.205 4.550 0.009 0.000 0.333 233 Y C -0.557 175.360 175.900 0.029 0.000 0.968 233 Y CA -1.053 57.117 58.100 0.118 0.000 1.123 233 Y CB 1.559 40.090 38.460 0.118 0.000 1.165 233 Y HN 0.513 nan 8.280 nan 0.000 0.452 234 I N 8.586 129.150 120.570 -0.009 0.000 2.291 234 I HA 0.157 4.333 4.170 0.009 0.000 0.290 234 I C 0.212 176.299 176.117 -0.051 0.000 1.050 234 I CA -0.640 60.657 61.300 -0.005 0.000 1.245 234 I CB 0.392 38.371 38.000 -0.035 0.000 1.405 234 I HN 0.450 nan 8.210 nan 0.000 0.478 235 V N 4.498 124.427 119.914 0.026 0.000 3.051 235 V HA 0.223 4.349 4.120 0.009 0.000 0.306 235 V C 0.559 176.542 176.094 -0.184 0.000 1.083 235 V CA -0.462 61.834 62.300 -0.007 0.000 1.104 235 V CB -0.021 31.709 31.823 -0.155 0.000 1.027 235 V HN 1.022 nan 8.190 nan 0.000 0.483 236 H N 0.643 119.863 119.070 0.250 0.000 2.262 236 H HA -0.143 4.418 4.556 0.009 0.000 0.319 236 H C 0.293 175.613 175.328 -0.013 0.000 0.947 236 H CA 0.587 56.716 56.048 0.134 0.000 1.060 236 H CB -2.935 26.934 29.762 0.178 0.000 1.605 236 H HN 1.386 nan 8.280 nan 0.000 0.346 237 T N -1.454 113.144 114.554 0.075 0.000 2.751 237 T HA 0.347 4.703 4.350 0.009 0.000 0.290 237 T C 1.226 175.853 174.700 -0.120 0.000 0.919 237 T CA -0.228 61.852 62.100 -0.032 0.000 1.136 237 T CB 1.110 69.929 68.868 -0.082 0.000 0.875 237 T HN 0.879 nan 8.240 nan 0.000 0.532 238 S N 1.429 116.985 115.700 -0.241 0.000 2.540 238 S HA 0.273 4.749 4.470 0.009 0.000 0.222 238 S C 0.850 175.256 174.600 -0.322 0.000 1.008 238 S CA -0.160 57.745 58.200 -0.491 0.000 0.939 238 S CB -0.694 61.867 63.200 -1.065 0.000 0.865 238 S HN 1.117 nan 8.310 nan 0.000 0.499 239 C N -0.547 118.626 119.300 -0.213 0.000 3.236 239 C HA 0.648 5.114 4.460 0.009 0.000 0.312 239 C C 1.272 176.315 174.990 0.090 0.000 1.374 239 C CA -0.716 58.163 59.018 -0.230 0.000 1.455 239 C CB 0.968 28.396 27.740 -0.520 0.000 1.834 239 C HN 0.295 nan 8.230 nan 0.000 0.460 240 E N 0.163 120.595 120.200 0.387 0.000 2.085 240 E HA -0.249 4.107 4.350 0.009 0.000 0.194 240 E C 1.841 178.537 176.600 0.160 0.000 0.994 240 E CA 2.018 58.592 56.400 0.290 0.000 0.801 240 E CB -0.029 29.829 29.700 0.264 0.000 0.743 240 E HN 0.706 nan 8.360 nan 0.000 0.453 241 Q N 0.351 120.227 119.800 0.127 0.000 2.046 241 Q HA -0.110 4.235 4.340 0.009 0.000 0.200 241 Q C 2.067 178.095 176.000 0.046 0.000 0.975 241 Q CA 1.666 57.508 55.803 0.066 0.000 0.836 241 Q CB -0.286 28.481 28.738 0.048 0.000 0.896 241 Q HN 0.274 nan 8.270 nan 0.000 0.428 242 A N 0.017 122.858 122.820 0.035 0.000 1.902 242 A HA -0.253 4.072 4.320 0.009 0.000 0.217 242 A C 1.936 179.575 177.584 0.091 0.000 1.181 242 A CA 1.750 53.808 52.037 0.034 0.000 0.623 242 A CB -0.885 18.114 19.000 -0.000 0.000 0.818 242 A HN 0.574 nan 8.150 nan 0.000 0.443 243 H N -1.154 117.909 119.070 -0.010 0.000 2.353 243 H HA -0.133 4.429 4.556 0.010 0.000 0.300 243 H C 2.233 177.559 175.328 -0.004 0.000 1.090 243 H CA 1.227 57.270 56.048 -0.008 0.000 1.327 243 H CB 0.099 29.866 29.762 0.009 0.000 1.383 243 H HN 0.514 nan 8.280 nan 0.000 0.508 244 E N 1.109 121.305 120.200 -0.006 0.000 2.085 244 E HA -0.163 4.192 4.350 0.009 0.000 0.194 244 E C 2.245 178.822 176.600 -0.039 0.000 0.994 244 E CA 1.098 57.452 56.400 -0.076 0.000 0.801 244 E CB -0.230 29.450 29.700 -0.034 0.000 0.743 244 E HN 0.582 nan 8.360 nan 0.000 0.453 245 A N 1.052 123.871 122.820 -0.001 0.000 1.902 245 A HA -0.129 4.196 4.320 0.009 0.000 0.217 245 A C 2.417 179.998 177.584 -0.005 0.000 1.181 245 A CA 1.375 53.411 52.037 -0.003 0.000 0.623 245 A CB -0.597 18.406 19.000 0.006 0.000 0.818 245 A HN 0.314 nan 8.150 nan 0.000 0.443 246 I N -1.072 119.508 120.570 0.017 0.000 2.202 246 I HA -0.245 3.931 4.170 0.009 0.000 0.242 246 I C 2.795 178.908 176.117 -0.006 0.000 1.091 246 I CA 1.207 62.516 61.300 0.014 0.000 1.368 246 I CB -0.361 37.679 38.000 0.066 0.000 1.058 246 I HN 0.279 nan 8.210 nan 0.000 0.410 247 R N 0.419 120.903 120.500 -0.027 0.000 2.073 247 R HA -0.194 4.151 4.340 0.009 0.000 0.234 247 R C 2.457 178.724 176.300 -0.055 0.000 1.134 247 R CA 1.536 57.595 56.100 -0.068 0.000 0.952 247 R CB -0.419 29.777 30.300 -0.172 0.000 0.850 247 R HN 0.320 nan 8.270 nan 0.000 0.433 248 R N 0.669 121.138 120.500 -0.050 0.000 2.081 248 R HA -0.100 4.246 4.340 0.009 0.000 0.235 248 R C 2.136 178.417 176.300 -0.032 0.000 1.131 248 R CA 1.541 57.618 56.100 -0.038 0.000 0.960 248 R CB -0.218 30.063 30.300 -0.032 0.000 0.856 248 R HN 0.204 nan 8.270 nan 0.000 0.436 249 A N 1.023 123.824 122.820 -0.032 0.000 1.873 249 A HA -0.117 4.209 4.320 0.009 0.000 0.215 249 A C 2.158 179.716 177.584 -0.044 0.000 1.186 249 A CA 1.370 53.387 52.037 -0.033 0.000 0.616 249 A CB -0.405 18.574 19.000 -0.036 0.000 0.823 249 A HN 0.373 nan 8.150 nan 0.000 0.442 250 R N -0.445 120.023 120.500 -0.053 0.000 2.148 250 R HA -0.021 4.325 4.340 0.009 0.000 0.227 250 R C 2.242 178.511 176.300 -0.051 0.000 1.103 250 R CA 0.998 57.060 56.100 -0.064 0.000 0.983 250 R CB -0.387 29.875 30.300 -0.062 0.000 0.874 250 R HN 0.500 nan 8.270 nan 0.000 0.451 251 A N 1.235 124.031 122.820 -0.041 0.000 2.066 251 A HA -0.110 4.216 4.320 0.009 0.000 0.218 251 A C 1.535 179.102 177.584 -0.029 0.000 1.157 251 A CA 1.041 53.057 52.037 -0.035 0.000 0.670 251 A CB -0.038 18.942 19.000 -0.033 0.000 0.804 251 A HN 0.180 nan 8.150 nan 0.000 0.453 252 K N -1.356 119.029 120.400 -0.024 0.000 2.444 252 K HA 0.257 4.582 4.320 0.009 0.000 0.193 252 K C 1.019 177.612 176.600 -0.011 0.000 1.024 252 K CA 0.459 56.741 56.287 -0.008 0.000 1.077 252 K CB 0.103 32.606 32.500 0.005 0.000 0.833 252 K HN 0.580 nan 8.250 nan 0.000 0.517 253 G N 1.449 110.225 108.800 -0.041 0.000 2.157 253 G HA2 -0.283 3.682 3.960 0.009 0.000 0.239 253 G HA3 -0.283 3.682 3.960 0.009 0.000 0.239 253 G C 0.153 175.014 174.900 -0.064 0.000 0.982 253 G CA -0.177 44.880 45.100 -0.071 0.000 0.650 253 G HN 0.136 nan 8.290 nan 0.000 0.527 254 M N 0.512 120.084 119.600 -0.047 0.000 2.245 254 M HA 0.323 4.808 4.480 0.009 0.000 0.330 254 M C 0.746 176.969 176.300 -0.129 0.000 1.098 254 M CA 0.097 55.364 55.300 -0.055 0.000 1.172 254 M CB 0.372 32.948 32.600 -0.041 0.000 1.467 254 M HN -0.068 nan 8.290 nan 0.000 0.454 255 R N 2.452 122.857 120.500 -0.159 0.000 2.408 255 R HA 0.422 4.768 4.340 0.009 0.000 0.308 255 R C -1.367 174.654 176.300 -0.465 0.000 1.210 255 R CA -0.252 55.657 56.100 -0.319 0.000 1.115 255 R CB -0.513 29.641 30.300 -0.242 0.000 1.127 255 R HN 0.418 nan 8.270 nan 0.000 0.523 256 V N 4.622 124.230 119.914 -0.510 0.000 2.588 256 V HA 0.496 4.622 4.120 0.009 0.000 0.304 256 V C -0.548 175.235 176.094 -0.518 0.000 1.042 256 V CA -0.812 61.232 62.300 -0.426 0.000 0.877 256 V CB 1.765 33.475 31.823 -0.189 0.000 0.996 256 V HN 0.355 nan 8.190 nan 0.000 0.425 257 F N 1.812 121.698 119.950 -0.107 0.000 2.470 257 F HA 0.878 5.412 4.527 0.012 0.000 0.329 257 F C 0.802 176.374 175.800 -0.380 0.000 1.072 257 F CA -0.793 57.072 58.000 -0.225 0.000 0.989 257 F CB 2.127 40.981 39.000 -0.243 0.000 1.193 257 F HN 0.583 nan 8.300 nan 0.000 0.481 258 G N 0.533 109.219 108.800 -0.190 0.000 2.571 258 G HA2 0.525 4.490 3.960 0.009 0.000 0.304 258 G HA3 0.525 4.490 3.960 0.009 0.000 0.304 258 G C -1.865 172.841 174.900 -0.324 0.000 1.314 258 G CA -0.597 44.341 45.100 -0.271 0.000 0.975 258 G HN 0.595 nan 8.290 nan 0.000 0.485 259 E N 2.588 122.620 120.200 -0.280 0.000 2.437 259 E HA 0.327 4.683 4.350 0.009 0.000 0.238 259 E C -2.566 174.015 176.600 -0.032 0.000 0.969 259 E CA -2.075 54.243 56.400 -0.137 0.000 0.759 259 E CB 2.345 32.044 29.700 -0.002 0.000 1.283 259 E HN 0.241 nan 8.360 nan 0.000 0.416 260 P HA 0.101 nan 4.420 nan 0.000 0.276 260 P C -0.042 177.263 177.300 0.008 0.000 1.230 260 P CA -0.105 62.962 63.100 -0.054 0.000 0.776 260 P CB 0.981 32.572 31.700 -0.180 0.000 0.888 261 L N 3.927 125.221 121.223 0.118 0.000 2.417 261 L HA 0.114 4.460 4.340 0.009 0.000 0.268 261 L C 2.260 179.131 176.870 0.001 0.000 1.158 261 L CA -0.556 54.340 54.840 0.094 0.000 0.819 261 L CB 0.154 42.293 42.059 0.133 0.000 1.112 261 L HN 0.291 nan 8.230 nan 0.000 0.458 262 I N 1.907 122.485 120.570 0.013 0.000 2.264 262 I HA -0.299 3.877 4.170 0.009 0.000 0.248 262 I C 2.250 178.416 176.117 0.082 0.000 1.111 262 I CA 1.677 62.989 61.300 0.020 0.000 1.382 262 I CB -0.187 37.834 38.000 0.036 0.000 1.060 262 I HN 0.711 nan 8.210 nan 0.000 0.418 263 Q N -0.394 119.432 119.800 0.043 0.000 2.112 263 Q HA -0.252 4.094 4.340 0.009 0.000 0.206 263 Q C 2.054 177.729 176.000 -0.541 0.000 0.987 263 Q CA 2.398 58.010 55.803 -0.319 0.000 0.858 263 Q CB -0.546 27.884 28.738 -0.514 0.000 0.905 263 Q HN 0.689 nan 8.270 nan 0.000 0.420 264 H N -1.135 117.809 119.070 -0.211 0.000 2.548 264 H HA 0.115 4.677 4.556 0.010 0.000 0.268 264 H C 1.351 176.583 175.328 -0.159 0.000 0.975 264 H CA 0.339 56.264 56.048 -0.205 0.000 1.195 264 H CB 0.279 29.970 29.762 -0.118 0.000 1.397 264 H HN 0.111 nan 8.280 nan 0.000 0.572 265 L N -0.288 120.881 121.223 -0.088 0.000 2.270 265 L HA -0.020 4.326 4.340 0.009 0.000 0.210 265 L C 1.717 178.668 176.870 0.136 0.000 1.104 265 L CA 1.454 56.203 54.840 -0.152 0.000 0.804 265 L CB 0.208 41.946 42.059 -0.535 0.000 0.937 265 L HN 0.406 nan 8.230 nan 0.000 0.450 266 T N -4.698 109.891 114.554 0.058 0.000 3.041 266 T HA 0.371 4.727 4.350 0.009 0.000 0.276 266 T C 0.261 174.922 174.700 -0.065 0.000 0.948 266 T CA -0.256 61.894 62.100 0.084 0.000 0.885 266 T CB 0.213 69.171 68.868 0.150 0.000 1.175 266 T HN -0.059 nan 8.240 nan 0.000 0.529 267 L N 1.579 122.657 121.223 -0.242 0.000 2.283 267 L HA 0.849 5.194 4.340 0.009 0.000 0.259 267 L C -1.305 175.336 176.870 -0.381 0.000 1.027 267 L CA -1.186 53.415 54.840 -0.397 0.000 0.828 267 L CB 2.162 43.742 42.059 -0.798 0.000 1.380 267 L HN 0.364 nan 8.230 nan 0.000 0.425 268 D N -2.779 117.501 120.400 -0.200 0.000 2.596 268 D HA 0.160 4.806 4.640 0.009 0.000 0.262 268 D C 0.145 176.454 176.300 0.016 0.000 1.210 268 D CA -0.698 53.279 54.000 -0.038 0.000 0.873 268 D CB 1.014 41.820 40.800 0.011 0.000 1.408 268 D HN 0.668 nan 8.370 nan 0.000 0.441 269 E N -0.624 119.594 120.200 0.030 0.000 2.267 269 E HA -0.261 4.094 4.350 0.009 0.000 0.197 269 E C 1.359 177.628 176.600 -0.552 0.000 0.998 269 E CA 1.648 57.980 56.400 -0.113 0.000 0.830 269 E CB -0.681 29.074 29.700 0.092 0.000 0.751 269 E HN 0.584 nan 8.360 nan 0.000 0.491 270 T N -0.620 113.719 114.554 -0.358 0.000 2.897 270 T HA -0.169 4.186 4.350 0.009 0.000 0.271 270 T C 1.518 176.019 174.700 -0.333 0.000 1.084 270 T CA 1.142 63.031 62.100 -0.352 0.000 1.123 270 T CB -0.193 68.677 68.868 0.003 0.000 0.865 270 T HN 0.137 nan 8.240 nan 0.000 0.496 271 E N 0.963 120.960 120.200 -0.339 0.000 2.160 271 E HA -0.128 4.228 4.350 0.009 0.000 0.195 271 E C 1.651 178.056 176.600 -0.326 0.000 0.991 271 E CA 1.187 57.427 56.400 -0.266 0.000 0.810 271 E CB -0.446 29.041 29.700 -0.355 0.000 0.742 271 E HN 0.724 nan 8.360 nan 0.000 0.466 272 Y N -0.842 119.218 120.300 -0.399 0.000 2.516 272 Y HA -0.055 4.501 4.550 0.009 0.000 0.291 272 Y C 1.553 177.373 175.900 -0.133 0.000 1.131 272 Y CA 0.314 58.189 58.100 -0.376 0.000 1.281 272 Y CB -0.205 37.969 38.460 -0.476 0.000 1.013 272 Y HN -0.011 nan 8.280 nan 0.000 0.554 273 F N -0.538 119.456 119.950 0.074 0.000 2.727 273 F HA 0.123 4.656 4.527 0.009 0.000 0.302 273 F C 0.948 176.746 175.800 -0.003 0.000 1.097 273 F CA -1.088 56.939 58.000 0.044 0.000 1.330 273 F CB -0.556 38.483 39.000 0.065 0.000 1.084 273 F HN -0.073 nan 8.300 nan 0.000 0.578 274 D N 1.419 121.869 120.400 0.084 0.000 2.443 274 D HA -0.060 4.586 4.640 0.009 0.000 0.239 274 D C 1.147 177.456 176.300 0.014 0.000 1.136 274 D CA 0.159 54.134 54.000 -0.042 0.000 0.879 274 D CB 1.110 41.757 40.800 -0.255 0.000 1.195 274 D HN -0.082 nan 8.370 nan 0.000 0.443 275 K N 1.996 122.398 120.400 0.004 0.000 2.362 275 K HA -0.121 4.205 4.320 0.009 0.000 0.200 275 K C 0.146 176.783 176.600 0.062 0.000 1.046 275 K CA 0.479 56.790 56.287 0.040 0.000 0.952 275 K CB -0.268 32.249 32.500 0.027 0.000 0.753 275 K HN 0.477 nan 8.250 nan 0.000 0.466 276 D N -0.679 119.746 120.400 0.041 0.000 2.313 276 D HA 0.013 4.659 4.640 0.009 0.000 0.239 276 D C 0.829 177.218 176.300 0.147 0.000 1.142 276 D CA -0.403 53.657 54.000 0.101 0.000 0.847 276 D CB 0.453 41.302 40.800 0.082 0.000 1.082 276 D HN 0.062 nan 8.370 nan 0.000 0.480 277 W N 3.743 125.056 121.300 0.022 0.000 2.318 277 W HA -0.225 4.441 4.660 0.010 0.000 0.313 277 W C 1.400 177.914 176.519 -0.009 0.000 1.221 277 W CA 1.374 58.728 57.345 0.014 0.000 1.266 277 W CB 0.117 29.582 29.460 0.008 0.000 1.150 277 W HN 0.496 nan 8.180 nan 0.000 0.496 278 D N -1.521 119.095 120.400 0.360 0.000 2.104 278 D HA -0.281 4.365 4.640 0.009 0.000 0.194 278 D C 1.767 177.988 176.300 -0.132 0.000 0.994 278 D CA 2.124 56.215 54.000 0.151 0.000 0.830 278 D CB -1.014 39.861 40.800 0.126 0.000 0.959 278 D HN 0.388 nan 8.370 nan 0.000 0.452 279 H N 0.369 119.350 119.070 -0.148 0.000 2.319 279 H HA -0.108 4.454 4.556 0.009 0.000 0.297 279 H C 1.900 177.051 175.328 -0.295 0.000 1.097 279 H CA 2.357 58.278 56.048 -0.211 0.000 1.285 279 H CB 0.011 29.698 29.762 -0.125 0.000 1.368 279 H HN 0.102 nan 8.280 nan 0.000 0.495 280 A N 0.619 123.372 122.820 -0.111 0.000 1.873 280 A HA -0.030 4.295 4.320 0.009 0.000 0.215 280 A C 2.573 179.948 177.584 -0.350 0.000 1.186 280 A CA 1.497 53.422 52.037 -0.186 0.000 0.616 280 A CB -1.267 17.632 19.000 -0.168 0.000 0.823 280 A HN 0.614 nan 8.150 nan 0.000 0.442 281 A N -0.244 122.203 122.820 -0.622 0.000 1.972 281 A HA -0.137 4.188 4.320 0.009 0.000 0.219 281 A C 2.164 179.484 177.584 -0.441 0.000 1.169 281 A CA 1.406 53.025 52.037 -0.698 0.000 0.635 281 A CB -0.458 17.796 19.000 -1.244 0.000 0.810 281 A HN 0.543 nan 8.150 nan 0.000 0.446 282 R N -1.024 119.183 120.500 -0.489 0.000 2.159 282 R HA -0.088 4.258 4.340 0.009 0.000 0.237 282 R C 1.684 177.775 176.300 -0.348 0.000 1.131 282 R CA 1.426 57.202 56.100 -0.541 0.000 0.982 282 R CB -0.145 29.520 30.300 -1.058 0.000 0.868 282 R HN 0.323 nan 8.270 nan 0.000 0.453 283 R N -0.278 119.952 120.500 -0.450 0.000 2.317 283 R HA 0.121 4.467 4.340 0.009 0.000 0.208 283 R C -0.192 175.856 176.300 -0.421 0.000 0.914 283 R CA 0.025 55.729 56.100 -0.660 0.000 1.060 283 R CB 0.614 30.185 30.300 -1.214 0.000 1.015 283 R HN -0.094 nan 8.270 nan 0.000 0.498 284 V N 3.164 122.968 119.914 -0.183 0.000 2.485 284 V HA 0.123 4.248 4.120 0.009 0.000 0.287 284 V C 0.290 176.274 176.094 -0.184 0.000 1.022 284 V CA 0.690 62.853 62.300 -0.228 0.000 1.067 284 V CB 0.057 31.624 31.823 -0.427 0.000 0.967 284 V HN 0.335 nan 8.190 nan 0.000 0.479 285 M N 3.652 123.216 119.600 -0.061 0.000 2.773 285 M HA 0.716 5.201 4.480 0.009 0.000 0.270 285 M C -1.140 175.373 176.300 0.355 0.000 1.238 285 M CA -0.614 54.770 55.300 0.139 0.000 0.832 285 M CB 2.483 35.184 32.600 0.168 0.000 1.672 285 M HN 0.198 nan 8.290 nan 0.000 0.480 286 S N 1.773 117.704 115.700 0.385 0.000 2.647 286 S HA 0.673 5.148 4.470 0.009 0.000 0.300 286 S C -2.795 171.856 174.600 0.086 0.000 1.129 286 S CA -1.070 57.346 58.200 0.360 0.000 1.029 286 S CB 1.602 65.095 63.200 0.487 0.000 1.007 286 S HN 0.555 nan 8.310 nan 0.000 0.484 287 P HA 0.270 nan 4.420 nan 0.000 0.271 287 P C -2.715 174.731 177.300 0.244 0.000 1.218 287 P CA -1.438 61.650 63.100 -0.019 0.000 0.780 287 P CB -0.492 31.082 31.700 -0.209 0.000 0.901 288 P HA 0.102 nan 4.420 nan 0.000 0.272 288 P C -0.035 177.656 177.300 0.651 0.000 1.240 288 P CA -0.178 63.174 63.100 0.419 0.000 0.791 288 P CB 0.247 32.062 31.700 0.192 0.000 0.978 289 F N 1.048 121.239 119.950 0.401 0.000 2.629 289 F HA 0.031 4.563 4.527 0.009 0.000 0.377 289 F C 1.728 177.674 175.800 0.242 0.000 1.101 289 F CA 0.710 58.846 58.000 0.227 0.000 1.301 289 F CB -0.526 38.392 39.000 -0.136 0.000 1.062 289 F HN 0.137 nan 8.300 nan 0.000 0.583 290 R N 1.232 121.930 120.500 0.331 0.000 2.875 290 R HA 0.214 4.559 4.340 0.009 0.000 0.251 290 R C -0.014 176.431 176.300 0.241 0.000 1.123 290 R CA -1.261 54.967 56.100 0.213 0.000 1.064 290 R CB 0.533 30.851 30.300 0.030 0.000 1.205 290 R HN 0.526 nan 8.270 nan 0.000 0.503 291 N N 1.881 120.763 118.700 0.305 0.000 2.293 291 N HA -0.127 4.619 4.740 0.009 0.000 0.253 291 N C 0.807 176.464 175.510 0.245 0.000 1.248 291 N CA 0.607 53.823 53.050 0.277 0.000 0.845 291 N CB 0.706 39.358 38.487 0.276 0.000 1.073 291 N HN 0.450 nan 8.380 nan 0.000 0.464 292 K N 3.203 123.692 120.400 0.149 0.000 2.211 292 K HA -0.176 4.150 4.320 0.009 0.000 0.204 292 K C 1.846 178.506 176.600 0.100 0.000 1.047 292 K CA 1.195 57.550 56.287 0.114 0.000 0.935 292 K CB -0.131 32.415 32.500 0.078 0.000 0.728 292 K HN 0.639 nan 8.250 nan 0.000 0.452 293 L N -0.959 120.293 121.223 0.048 0.000 2.189 293 L HA -0.195 4.151 4.340 0.009 0.000 0.214 293 L C 1.827 178.659 176.870 -0.064 0.000 1.097 293 L CA 1.794 56.611 54.840 -0.038 0.000 0.764 293 L CB -0.953 41.034 42.059 -0.120 0.000 0.900 293 L HN 0.187 nan 8.230 nan 0.000 0.436 294 H N 0.011 119.130 119.070 0.082 0.000 2.529 294 H HA 0.021 4.582 4.556 0.009 0.000 0.277 294 H C 2.036 177.425 175.328 0.101 0.000 0.999 294 H CA 1.288 57.384 56.048 0.080 0.000 1.256 294 H CB 0.122 29.919 29.762 0.057 0.000 1.402 294 H HN 0.642 nan 8.280 nan 0.000 0.566 295 Q N 0.510 120.443 119.800 0.222 0.000 2.096 295 Q HA -0.140 4.206 4.340 0.009 0.000 0.204 295 Q C 1.647 177.853 176.000 0.342 0.000 0.982 295 Q CA 1.330 57.284 55.803 0.253 0.000 0.850 295 Q CB 0.113 29.026 28.738 0.291 0.000 0.901 295 Q HN 0.372 nan 8.270 nan 0.000 0.422 296 D N -0.131 120.432 120.400 0.271 0.000 2.149 296 D HA -0.144 4.502 4.640 0.009 0.000 0.198 296 D C 1.951 178.402 176.300 0.251 0.000 0.990 296 D CA 1.215 55.368 54.000 0.256 0.000 0.839 296 D CB -0.275 40.605 40.800 0.133 0.000 0.948 296 D HN 0.095 nan 8.370 nan 0.000 0.460 297 S N -0.380 115.449 115.700 0.215 0.000 2.368 297 S HA -0.078 4.398 4.470 0.009 0.000 0.225 297 S C 2.101 176.861 174.600 0.266 0.000 1.030 297 S CA 0.641 58.997 58.200 0.260 0.000 0.999 297 S CB -0.209 63.155 63.200 0.274 0.000 0.844 297 S HN 0.197 nan 8.310 nan 0.000 0.459 298 L N -0.871 120.420 121.223 0.114 0.000 2.056 298 L HA -0.057 4.288 4.340 0.009 0.000 0.207 298 L C 2.469 179.287 176.870 -0.088 0.000 1.078 298 L CA 1.437 56.203 54.840 -0.124 0.000 0.749 298 L CB -0.738 41.215 42.059 -0.178 0.000 0.901 298 L HN 0.422 nan 8.230 nan 0.000 0.433 299 W N 0.160 121.472 121.300 0.019 0.000 2.338 299 W HA -0.209 4.457 4.660 0.009 0.000 0.304 299 W C 2.755 179.293 176.519 0.032 0.000 1.212 299 W CA 1.199 58.559 57.345 0.024 0.000 1.264 299 W CB -0.318 29.164 29.460 0.037 0.000 1.142 299 W HN 0.112 nan 8.180 nan 0.000 0.512 300 A N 0.369 123.368 122.820 0.299 0.000 1.933 300 A HA -0.080 4.245 4.320 0.009 0.000 0.218 300 A C 2.215 179.919 177.584 0.200 0.000 1.175 300 A CA 1.920 54.089 52.037 0.220 0.000 0.628 300 A CB -1.520 17.595 19.000 0.192 0.000 0.814 300 A HN 0.330 nan 8.150 nan 0.000 0.444 301 G N -0.051 108.875 108.800 0.210 0.000 2.440 301 G HA2 -0.182 3.784 3.960 0.009 0.000 0.218 301 G HA3 -0.182 3.784 3.960 0.009 0.000 0.218 301 G C 1.539 176.460 174.900 0.035 0.000 1.154 301 G CA 1.067 46.240 45.100 0.122 0.000 0.767 301 G HN 0.450 nan 8.290 nan 0.000 0.552 302 L N 0.601 121.828 121.223 0.006 0.000 2.046 302 L HA -0.064 4.282 4.340 0.009 0.000 0.208 302 L C 3.404 180.310 176.870 0.060 0.000 1.077 302 L CA 1.096 55.942 54.840 0.011 0.000 0.747 302 L CB -0.467 41.590 42.059 -0.003 0.000 0.896 302 L HN 0.303 nan 8.230 nan 0.000 0.432 303 A N -0.110 122.773 122.820 0.105 0.000 1.930 303 A HA -0.178 4.148 4.320 0.009 0.000 0.217 303 A C 2.420 180.040 177.584 0.061 0.000 1.175 303 A CA 1.995 54.084 52.037 0.088 0.000 0.627 303 A CB -0.447 18.614 19.000 0.101 0.000 0.815 303 A HN 0.523 nan 8.150 nan 0.000 0.443 304 S N -3.189 112.552 115.700 0.068 0.000 2.511 304 S HA 0.426 4.901 4.470 0.009 0.000 0.214 304 S C 1.350 175.977 174.600 0.045 0.000 0.997 304 S CA 1.075 59.307 58.200 0.054 0.000 0.908 304 S CB 0.276 63.514 63.200 0.064 0.000 0.803 304 S HN 1.881 nan 8.310 nan 0.000 0.504 305 G N 1.543 110.371 108.800 0.046 0.000 2.176 305 G HA2 -0.325 3.640 3.960 0.009 0.000 0.232 305 G HA3 -0.325 3.640 3.960 0.009 0.000 0.232 305 G C 1.005 175.933 174.900 0.047 0.000 0.986 305 G CA 0.627 45.748 45.100 0.035 0.000 0.643 305 G HN 1.241 nan 8.290 nan 0.000 0.522 306 S N -0.717 115.031 115.700 0.081 0.000 2.489 306 S HA 0.476 4.951 4.470 0.009 0.000 0.228 306 S C 0.843 175.488 174.600 0.075 0.000 0.995 306 S CA 0.652 58.919 58.200 0.111 0.000 0.934 306 S CB 0.192 63.517 63.200 0.208 0.000 0.771 306 S HN 0.626 nan 8.310 nan 0.000 0.522 307 L N 0.741 121.963 121.223 -0.002 0.000 2.385 307 L HA 0.528 4.873 4.340 0.009 0.000 0.273 307 L C 0.034 176.863 176.870 -0.069 0.000 0.990 307 L CA -0.584 54.196 54.840 -0.100 0.000 0.821 307 L CB 2.247 44.161 42.059 -0.243 0.000 1.279 307 L HN -0.062 nan 8.230 nan 0.000 0.412 308 Q N 1.120 120.877 119.800 -0.072 0.000 2.211 308 Q HA 0.286 4.632 4.340 0.009 0.000 0.242 308 Q C -0.709 175.242 176.000 -0.081 0.000 0.825 308 Q CA 0.261 56.034 55.803 -0.050 0.000 0.951 308 Q CB 1.747 30.485 28.738 -0.001 0.000 1.130 308 Q HN 0.402 nan 8.270 nan 0.000 0.496 309 V N 0.738 120.595 119.914 -0.095 0.000 2.623 309 V HA 0.459 4.585 4.120 0.009 0.000 0.304 309 V C -0.774 175.286 176.094 -0.057 0.000 1.054 309 V CA -1.020 61.245 62.300 -0.058 0.000 0.882 309 V CB 2.208 34.053 31.823 0.036 0.000 1.002 309 V HN -0.189 nan 8.190 nan 0.000 0.424 310 V N 3.913 123.784 119.914 -0.071 0.000 2.439 310 V HA 0.905 5.030 4.120 0.009 0.000 0.282 310 V C 0.472 176.569 176.094 0.004 0.000 1.039 310 V CA 0.144 62.405 62.300 -0.065 0.000 0.913 310 V CB 1.259 33.005 31.823 -0.127 0.000 0.983 310 V HN 1.116 nan 8.190 nan 0.000 0.460 311 A N 3.403 126.259 122.820 0.060 0.000 2.504 311 A HA 0.841 5.166 4.320 0.009 0.000 0.285 311 A C 0.566 178.220 177.584 0.117 0.000 1.261 311 A CA 0.280 52.391 52.037 0.123 0.000 0.741 311 A CB 1.771 20.916 19.000 0.241 0.000 1.327 311 A HN 0.851 nan 8.150 nan 0.000 0.441 312 T N -3.782 110.858 114.554 0.143 0.000 2.958 312 T HA 0.242 4.597 4.350 0.009 0.000 0.256 312 T C 0.190 174.947 174.700 0.095 0.000 0.983 312 T CA 1.172 63.359 62.100 0.144 0.000 0.924 312 T CB -0.022 68.973 68.868 0.211 0.000 1.136 312 T HN 1.034 nan 8.240 nan 0.000 0.506 313 D N 1.792 122.181 120.400 -0.018 0.000 2.689 313 D HA -0.237 4.409 4.640 0.009 0.000 0.237 313 D C -0.260 176.168 176.300 0.213 0.000 1.148 313 D CA 0.472 54.385 54.000 -0.144 0.000 0.656 313 D CB -2.411 38.230 40.800 -0.265 0.000 1.050 313 D HN 0.864 nan 8.370 nan 0.000 0.426 314 H N 0.374 119.542 119.070 0.164 0.000 3.145 314 H HA 0.336 4.898 4.556 0.009 0.000 0.263 314 H C -0.344 175.074 175.328 0.151 0.000 1.057 314 H CA 0.548 56.673 56.048 0.130 0.000 1.477 314 H CB 0.202 30.009 29.762 0.076 0.000 1.529 314 H HN 0.275 nan 8.280 nan 0.000 0.508 315 C N 6.146 125.424 119.300 -0.036 0.000 3.123 315 C HA 0.677 5.143 4.460 0.009 0.000 0.284 315 C C -0.291 174.509 174.990 -0.316 0.000 1.076 315 C CA -0.221 58.782 59.018 -0.025 0.000 1.416 315 C CB -1.523 26.296 27.740 0.131 0.000 1.841 315 C HN 0.961 nan 8.230 nan 0.000 0.501 316 A N 4.346 126.889 122.820 -0.461 0.000 2.290 316 A HA 0.885 5.210 4.320 0.009 0.000 0.310 316 A C -0.990 176.199 177.584 -0.658 0.000 1.202 316 A CA -0.107 51.659 52.037 -0.452 0.000 0.837 316 A CB 0.399 19.215 19.000 -0.307 0.000 1.139 316 A HN 0.703 nan 8.150 nan 0.000 0.509 317 F N 0.480 120.433 119.950 0.005 0.000 2.563 317 F HA 0.500 5.032 4.527 0.009 0.000 0.316 317 F C 1.145 176.985 175.800 0.067 0.000 1.076 317 F CA -0.303 57.722 58.000 0.042 0.000 0.921 317 F CB 2.166 41.199 39.000 0.054 0.000 1.209 317 F HN 0.684 nan 8.300 nan 0.000 0.462 318 T N -2.264 112.427 114.554 0.229 0.000 2.802 318 T HA 0.104 4.460 4.350 0.009 0.000 0.305 318 T C 1.129 175.997 174.700 0.281 0.000 1.053 318 T CA -0.244 61.982 62.100 0.211 0.000 1.058 318 T CB 0.846 69.780 68.868 0.109 0.000 0.988 318 T HN 0.658 nan 8.240 nan 0.000 0.539 319 T N 1.365 116.100 114.554 0.302 0.000 2.699 319 T HA -0.127 4.229 4.350 0.009 0.000 0.268 319 T C 1.761 176.491 174.700 0.050 0.000 1.036 319 T CA 1.981 64.160 62.100 0.132 0.000 1.147 319 T CB -0.431 68.490 68.868 0.089 0.000 0.862 319 T HN 0.755 nan 8.240 nan 0.000 0.446 320 E N 0.995 121.202 120.200 0.011 0.000 2.150 320 E HA -0.051 4.305 4.350 0.009 0.000 0.193 320 E C 2.423 178.832 176.600 -0.319 0.000 0.985 320 E CA 0.765 57.121 56.400 -0.074 0.000 0.814 320 E CB -0.195 29.489 29.700 -0.028 0.000 0.752 320 E HN 0.547 nan 8.360 nan 0.000 0.466 321 Q N 0.216 119.805 119.800 -0.352 0.000 2.079 321 Q HA -0.091 4.255 4.340 0.009 0.000 0.200 321 Q C 1.827 177.464 176.000 -0.604 0.000 0.974 321 Q CA 0.868 56.205 55.803 -0.777 0.000 0.840 321 Q CB 0.043 28.654 28.738 -0.212 0.000 0.898 321 Q HN 0.042 nan 8.270 nan 0.000 0.430 322 K N 0.820 121.108 120.400 -0.187 0.000 2.103 322 K HA -0.134 4.191 4.320 0.009 0.000 0.207 322 K C 1.836 178.506 176.600 0.116 0.000 1.048 322 K CA 1.176 57.432 56.287 -0.051 0.000 0.930 322 K CB -0.213 32.293 32.500 0.011 0.000 0.716 322 K HN 0.196 nan 8.250 nan 0.000 0.444 323 R N -0.098 120.448 120.500 0.077 0.000 2.328 323 R HA -0.022 4.323 4.340 0.009 0.000 0.207 323 R C 1.875 178.240 176.300 0.109 0.000 1.056 323 R CA 0.248 56.404 56.100 0.092 0.000 1.016 323 R CB -0.226 30.060 30.300 -0.023 0.000 0.872 323 R HN 0.081 nan 8.270 nan 0.000 0.471 324 F N 0.041 120.006 119.950 0.025 0.000 2.236 324 F HA -0.098 4.434 4.527 0.009 0.000 0.302 324 F C 2.250 178.041 175.800 -0.014 0.000 1.073 324 F CA 1.252 59.238 58.000 -0.023 0.000 1.336 324 F CB -0.893 38.072 39.000 -0.059 0.000 1.040 324 F HN 0.062 nan 8.300 nan 0.000 0.507 325 G N -0.383 108.568 108.800 0.252 0.000 3.371 325 G HA2 0.242 4.208 3.960 0.009 0.000 0.248 325 G HA3 0.242 4.208 3.960 0.009 0.000 0.248 325 G C 0.163 175.250 174.900 0.312 0.000 1.161 325 G CA -0.120 45.121 45.100 0.235 0.000 0.796 325 G HN 0.028 nan 8.290 nan 0.000 0.539 326 V N 0.924 120.863 119.914 0.041 0.000 2.557 326 V HA 0.376 4.502 4.120 0.009 0.000 0.301 326 V C 1.707 177.765 176.094 -0.060 0.000 1.026 326 V CA 1.673 63.797 62.300 -0.293 0.000 1.137 326 V CB 0.482 31.962 31.823 -0.571 0.000 0.917 326 V HN 0.747 nan 8.190 nan 0.000 0.484 327 G N 3.862 112.681 108.800 0.032 0.000 2.205 327 G HA2 -0.216 3.750 3.960 0.009 0.000 0.261 327 G HA3 -0.216 3.750 3.960 0.009 0.000 0.261 327 G C 0.022 174.984 174.900 0.103 0.000 0.980 327 G CA 0.306 45.443 45.100 0.061 0.000 0.632 327 G HN 0.880 nan 8.290 nan 0.000 0.533 328 D N -0.828 119.654 120.400 0.137 0.000 2.312 328 D HA 0.334 4.980 4.640 0.009 0.000 0.229 328 D C 1.072 177.388 176.300 0.026 0.000 1.337 328 D CA -0.273 53.741 54.000 0.024 0.000 0.964 328 D CB -0.382 40.381 40.800 -0.062 0.000 1.456 328 D HN 0.271 nan 8.370 nan 0.000 0.547 329 F N 1.604 121.603 119.950 0.083 0.000 2.333 329 F HA -0.029 4.504 4.527 0.009 0.000 0.300 329 F C 2.062 177.874 175.800 0.020 0.000 1.083 329 F CA 1.233 59.260 58.000 0.044 0.000 1.395 329 F CB -1.013 37.989 39.000 0.003 0.000 1.056 329 F HN 0.251 nan 8.300 nan 0.000 0.529 330 T N -1.540 112.592 114.554 -0.703 0.000 3.025 330 T HA -0.065 4.290 4.350 0.009 0.000 0.270 330 T C 1.612 176.190 174.700 -0.203 0.000 1.126 330 T CA 0.912 62.763 62.100 -0.415 0.000 1.105 330 T CB -0.539 68.032 68.868 -0.496 0.000 0.884 330 T HN 0.516 nan 8.240 nan 0.000 0.522 331 R N 0.088 120.498 120.500 -0.151 0.000 2.362 331 R HA 0.396 4.741 4.340 0.009 0.000 0.227 331 R C 0.094 176.365 176.300 -0.048 0.000 0.905 331 R CA -0.191 55.850 56.100 -0.099 0.000 1.067 331 R CB 0.116 30.379 30.300 -0.062 0.000 1.078 331 R HN 0.444 nan 8.270 nan 0.000 0.516 332 I N 3.964 124.511 120.570 -0.038 0.000 2.494 332 I HA 0.054 4.230 4.170 0.009 0.000 0.289 332 I C -2.093 173.875 176.117 -0.248 0.000 1.106 332 I CA -1.908 59.345 61.300 -0.078 0.000 1.369 332 I CB 0.376 38.326 38.000 -0.084 0.000 1.410 332 I HN -0.310 nan 8.210 nan 0.000 0.523 333 P HA -0.012 nan 4.420 nan 0.000 0.263 333 P C -0.795 176.206 177.300 -0.499 0.000 1.195 333 P CA 0.206 62.866 63.100 -0.734 0.000 0.762 333 P CB 0.185 30.974 31.700 -1.517 0.000 0.799 334 N N 2.184 120.774 118.700 -0.183 0.000 2.458 334 N HA 0.487 5.233 4.740 0.009 0.000 0.270 334 N C 0.206 175.962 175.510 0.411 0.000 1.102 334 N CA -0.088 53.032 53.050 0.117 0.000 0.967 334 N CB 0.556 39.239 38.487 0.327 0.000 1.078 334 N HN 0.551 nan 8.380 nan 0.000 0.471 335 G N 0.485 109.479 108.800 0.322 0.000 2.343 335 G HA2 0.153 4.119 3.960 0.009 0.000 0.298 335 G HA3 0.153 4.119 3.960 0.009 0.000 0.298 335 G C -0.898 174.138 174.900 0.226 0.000 1.644 335 G CA -0.908 44.394 45.100 0.335 0.000 0.958 335 G HN 0.494 nan 8.290 nan 0.000 0.702 336 T N -1.237 113.383 114.554 0.109 0.000 2.907 336 T HA 0.896 5.252 4.350 0.009 0.000 0.290 336 T C 0.479 175.096 174.700 -0.139 0.000 1.066 336 T CA -0.073 62.041 62.100 0.023 0.000 1.012 336 T CB 2.095 70.999 68.868 0.060 0.000 1.184 336 T HN 1.855 nan 8.240 nan 0.000 0.522 337 G N -1.766 106.879 108.800 -0.259 0.000 2.410 337 G HA2 0.595 4.560 3.960 0.009 0.000 0.330 337 G HA3 0.595 4.560 3.960 0.009 0.000 0.330 337 G C 0.348 175.253 174.900 0.008 0.000 1.142 337 G CA -0.598 44.150 45.100 -0.586 0.000 0.902 337 G HN 1.384 nan 8.290 nan 0.000 0.491 338 G N 0.014 108.986 108.800 0.286 0.000 3.912 338 G HA2 0.066 4.031 3.960 0.009 0.000 0.203 338 G HA3 0.066 4.031 3.960 0.009 0.000 0.203 338 G C 1.288 176.378 174.900 0.317 0.000 1.112 338 G CA -0.058 45.291 45.100 0.415 0.000 0.871 338 G HN 0.488 nan 8.290 nan 0.000 0.549 339 L N 0.525 122.001 121.223 0.422 0.000 2.010 339 L HA -0.173 4.173 4.340 0.009 0.000 0.219 339 L C 2.620 179.536 176.870 0.077 0.000 1.077 339 L CA 2.326 57.240 54.840 0.124 0.000 0.773 339 L CB -0.040 41.921 42.059 -0.164 0.000 0.892 339 L HN 0.385 nan 8.230 nan 0.000 0.436 340 E N -0.639 119.610 120.200 0.081 0.000 2.208 340 E HA -0.195 4.161 4.350 0.009 0.000 0.193 340 E C 1.070 177.702 176.600 0.053 0.000 0.988 340 E CA 1.036 57.471 56.400 0.059 0.000 0.828 340 E CB 0.206 29.939 29.700 0.055 0.000 0.763 340 E HN 0.510 nan 8.360 nan 0.000 0.478 341 D N -0.283 120.128 120.400 0.018 0.000 2.360 341 D HA -0.026 4.620 4.640 0.009 0.000 0.210 341 D C 1.650 177.852 176.300 -0.163 0.000 1.047 341 D CA -0.004 53.919 54.000 -0.129 0.000 0.854 341 D CB 0.033 40.617 40.800 -0.360 0.000 0.936 341 D HN 0.147 nan 8.370 nan 0.000 0.514 342 R N 0.834 121.308 120.500 -0.044 0.000 2.088 342 R HA -0.096 4.249 4.340 0.009 0.000 0.232 342 R C 2.145 178.501 176.300 0.093 0.000 1.136 342 R CA 1.318 57.412 56.100 -0.010 0.000 0.926 342 R CB -0.069 30.250 30.300 0.032 0.000 0.837 342 R HN 0.032 nan 8.270 nan 0.000 0.429 343 M N -0.299 119.408 119.600 0.178 0.000 2.132 343 M HA -0.048 4.438 4.480 0.009 0.000 0.263 343 M C -0.859 175.790 176.300 0.582 0.000 1.065 343 M CA 1.478 56.980 55.300 0.335 0.000 1.122 343 M CB -0.694 32.089 32.600 0.305 0.000 1.365 343 M HN 0.146 nan 8.290 nan 0.000 0.411 344 P HA -0.141 nan 4.420 nan 0.000 0.215 344 P C 1.610 179.158 177.300 0.414 0.000 1.153 344 P CA 1.222 64.638 63.100 0.527 0.000 0.853 344 P CB -0.127 31.715 31.700 0.237 0.000 0.788 345 M N -1.645 118.108 119.600 0.255 0.000 2.117 345 M HA -0.110 4.375 4.480 0.009 0.000 0.262 345 M C 2.109 178.696 176.300 0.478 0.000 1.065 345 M CA 1.517 57.009 55.300 0.320 0.000 1.114 345 M CB -1.732 30.869 32.600 0.000 0.000 1.361 345 M HN -0.014 nan 8.290 nan 0.000 0.408 346 L N -0.446 121.035 121.223 0.431 0.000 2.093 346 L HA -0.181 4.164 4.340 0.009 0.000 0.208 346 L C 2.261 179.459 176.870 0.548 0.000 1.085 346 L CA 1.591 56.741 54.840 0.517 0.000 0.755 346 L CB -0.661 41.634 42.059 0.392 0.000 0.904 346 L HN 0.438 nan 8.230 nan 0.000 0.435 347 W N -0.303 121.184 121.300 0.310 0.000 2.379 347 W HA -0.185 4.481 4.660 0.009 0.000 0.307 347 W C 1.976 178.471 176.519 -0.039 0.000 1.200 347 W CA 1.837 59.131 57.345 -0.085 0.000 1.297 347 W CB -0.420 28.941 29.460 -0.165 0.000 1.140 347 W HN 0.112 nan 8.180 nan 0.000 0.507 348 T N 0.269 114.950 114.554 0.212 0.000 2.777 348 T HA -0.216 4.139 4.350 0.009 0.000 0.266 348 T C 1.330 175.745 174.700 -0.476 0.000 1.040 348 T CA 1.755 63.744 62.100 -0.184 0.000 1.141 348 T CB -0.552 68.112 68.868 -0.340 0.000 0.868 348 T HN 0.103 nan 8.240 nan 0.000 0.444 349 Y N 0.166 120.532 120.300 0.110 0.000 2.500 349 Y HA 0.358 4.913 4.550 0.009 0.000 0.270 349 Y C 2.326 178.105 175.900 -0.203 0.000 1.134 349 Y CA 0.049 58.157 58.100 0.014 0.000 1.293 349 Y CB -0.045 38.510 38.460 0.159 0.000 1.063 349 Y HN 0.248 nan 8.280 nan 0.000 0.534 350 G N -1.464 107.366 108.800 0.050 0.000 2.828 350 G HA2 0.009 3.974 3.960 0.009 0.000 0.201 350 G HA3 0.009 3.974 3.960 0.009 0.000 0.201 350 G C 1.401 176.199 174.900 -0.169 0.000 1.102 350 G CA 0.492 45.584 45.100 -0.012 0.000 0.815 350 G HN 0.113 nan 8.290 nan 0.000 0.590 351 V N 1.715 121.419 119.914 -0.350 0.000 2.379 351 V HA 0.078 4.204 4.120 0.009 0.000 0.243 351 V C 3.228 178.960 176.094 -0.604 0.000 1.035 351 V CA 2.000 63.897 62.300 -0.671 0.000 1.035 351 V CB -0.401 30.538 31.823 -1.473 0.000 0.673 351 V HN 0.390 nan 8.190 nan 0.000 0.457 352 A N 0.712 123.179 122.820 -0.589 0.000 2.015 352 A HA -0.169 4.157 4.320 0.009 0.000 0.219 352 A C 2.311 179.737 177.584 -0.264 0.000 1.163 352 A CA 2.107 53.914 52.037 -0.383 0.000 0.646 352 A CB -0.756 18.074 19.000 -0.283 0.000 0.806 352 A HN 0.632 nan 8.150 nan 0.000 0.448 353 T N -4.437 109.957 114.554 -0.268 0.000 3.113 353 T HA 0.372 4.727 4.350 0.009 0.000 0.256 353 T C 1.462 176.045 174.700 -0.196 0.000 1.131 353 T CA 1.075 63.047 62.100 -0.213 0.000 1.074 353 T CB -0.024 68.702 68.868 -0.238 0.000 0.944 353 T HN 1.614 nan 8.240 nan 0.000 0.516 354 G N 1.970 110.643 108.800 -0.213 0.000 2.159 354 G HA2 -0.330 3.636 3.960 0.009 0.000 0.256 354 G HA3 -0.330 3.636 3.960 0.009 0.000 0.256 354 G C 1.033 175.846 174.900 -0.144 0.000 0.977 354 G CA 0.334 45.332 45.100 -0.169 0.000 0.652 354 G HN 0.544 nan 8.290 nan 0.000 0.531 355 R N -0.095 120.296 120.500 -0.182 0.000 2.120 355 R HA 0.159 4.505 4.340 0.009 0.000 0.234 355 R C 1.534 177.832 176.300 -0.004 0.000 1.123 355 R CA 1.639 57.655 56.100 -0.140 0.000 0.975 355 R CB -0.186 29.907 30.300 -0.346 0.000 0.866 355 R HN 0.796 nan 8.270 nan 0.000 0.446 356 I N -3.084 117.481 120.570 -0.008 0.000 2.865 356 I HA 0.351 4.527 4.170 0.009 0.000 0.302 356 I C 0.029 176.110 176.117 -0.059 0.000 1.140 356 I CA -1.283 60.036 61.300 0.031 0.000 1.021 356 I CB 2.161 40.243 38.000 0.137 0.000 1.233 356 I HN -0.171 nan 8.210 nan 0.000 0.427 357 T N 0.360 114.886 114.554 -0.046 0.000 2.754 357 T HA 0.334 4.689 4.350 0.009 0.000 0.286 357 T C 0.976 175.612 174.700 -0.106 0.000 0.997 357 T CA -0.557 61.486 62.100 -0.094 0.000 0.982 357 T CB 1.143 69.979 68.868 -0.053 0.000 1.027 357 T HN 0.757 nan 8.240 nan 0.000 0.529 358 M N 1.061 120.553 119.600 -0.180 0.000 2.213 358 M HA -0.086 4.400 4.480 0.009 0.000 0.263 358 M C 2.040 178.368 176.300 0.048 0.000 1.062 358 M CA 1.792 56.997 55.300 -0.159 0.000 1.105 358 M CB -0.794 31.647 32.600 -0.265 0.000 1.385 358 M HN 0.701 nan 8.290 nan 0.000 0.417 359 N N 0.224 118.937 118.700 0.022 0.000 2.142 359 N HA -0.131 4.614 4.740 0.009 0.000 0.186 359 N C 1.473 177.014 175.510 0.052 0.000 1.023 359 N CA 1.106 54.185 53.050 0.049 0.000 0.852 359 N CB -0.086 38.421 38.487 0.033 0.000 0.998 359 N HN 0.386 nan 8.380 nan 0.000 0.424 360 E N 0.159 120.386 120.200 0.045 0.000 2.072 360 E HA -0.176 4.180 4.350 0.009 0.000 0.191 360 E C 1.516 178.153 176.600 0.061 0.000 0.985 360 E CA 0.682 57.106 56.400 0.041 0.000 0.801 360 E CB -0.176 29.549 29.700 0.041 0.000 0.750 360 E HN 0.348 nan 8.360 nan 0.000 0.452 361 F N 1.327 121.245 119.950 -0.053 0.000 2.091 361 F HA -0.281 4.252 4.527 0.009 0.000 0.299 361 F C 2.089 177.866 175.800 -0.037 0.000 1.103 361 F CA 1.293 59.267 58.000 -0.045 0.000 1.228 361 F CB -0.264 38.692 39.000 -0.073 0.000 0.984 361 F HN -0.195 nan 8.300 nan 0.000 0.477 362 V N 0.717 120.669 119.914 0.062 0.000 2.295 362 V HA -0.326 3.799 4.120 0.009 0.000 0.246 362 V C 2.795 178.819 176.094 -0.117 0.000 1.049 362 V CA 1.845 64.118 62.300 -0.046 0.000 1.024 362 V CB -1.592 30.275 31.823 0.073 0.000 0.648 362 V HN 0.540 nan 8.190 nan 0.000 0.447 363 A N 0.517 123.294 122.820 -0.072 0.000 1.892 363 A HA -0.204 4.122 4.320 0.009 0.000 0.218 363 A C 2.279 179.789 177.584 -0.124 0.000 1.188 363 A CA 2.639 54.623 52.037 -0.088 0.000 0.631 363 A CB -0.817 18.146 19.000 -0.061 0.000 0.822 363 A HN 0.838 nan 8.150 nan 0.000 0.447 364 V N -2.559 117.265 119.914 -0.150 0.000 3.623 364 V HA 0.058 4.184 4.120 0.009 0.000 0.271 364 V C 1.665 177.629 176.094 -0.217 0.000 1.248 364 V CA 1.830 64.036 62.300 -0.158 0.000 1.156 364 V CB -0.911 30.833 31.823 -0.132 0.000 0.870 364 V HN 0.684 nan 8.190 nan 0.000 0.453 365 T N -2.716 111.647 114.554 -0.318 0.000 3.001 365 T HA 0.257 4.613 4.350 0.009 0.000 0.251 365 T C 1.372 175.953 174.700 -0.199 0.000 1.040 365 T CA 0.897 62.799 62.100 -0.331 0.000 0.985 365 T CB 0.340 68.830 68.868 -0.629 0.000 1.011 365 T HN 0.786 nan 8.240 nan 0.000 0.509 366 S N -0.233 115.375 115.700 -0.154 0.000 4.074 366 S HA 0.083 4.558 4.470 0.009 0.000 0.220 366 S C 1.748 176.314 174.600 -0.057 0.000 1.164 366 S CA 0.527 58.678 58.200 -0.080 0.000 1.020 366 S CB -0.412 62.760 63.200 -0.047 0.000 1.299 366 S HN 0.205 nan 8.310 nan 0.000 0.509 367 T N 3.512 118.029 114.554 -0.061 0.000 2.777 367 T HA 0.013 4.369 4.350 0.009 0.000 0.266 367 T C 1.643 176.247 174.700 -0.159 0.000 1.040 367 T CA 1.799 63.852 62.100 -0.078 0.000 1.141 367 T CB -0.607 68.195 68.868 -0.111 0.000 0.868 367 T HN 0.394 nan 8.240 nan 0.000 0.444 368 N N 1.225 119.836 118.700 -0.148 0.000 2.069 368 N HA -0.043 4.703 4.740 0.009 0.000 0.191 368 N C 1.785 177.197 175.510 -0.163 0.000 1.031 368 N CA 0.782 53.736 53.050 -0.159 0.000 0.852 368 N CB -0.589 37.824 38.487 -0.124 0.000 1.018 368 N HN 0.260 nan 8.380 nan 0.000 0.423 369 I N 1.210 121.711 120.570 -0.115 0.000 2.286 369 I HA -0.137 4.038 4.170 0.009 0.000 0.248 369 I C 1.950 177.999 176.117 -0.113 0.000 1.115 369 I CA 0.720 61.959 61.300 -0.102 0.000 1.392 369 I CB -0.619 37.353 38.000 -0.046 0.000 1.065 369 I HN 0.111 nan 8.210 nan 0.000 0.418 370 A N 0.242 123.016 122.820 -0.076 0.000 1.883 370 A HA -0.275 4.050 4.320 0.009 0.000 0.217 370 A C 2.377 179.943 177.584 -0.029 0.000 1.186 370 A CA 2.132 54.154 52.037 -0.025 0.000 0.624 370 A CB -0.646 18.417 19.000 0.104 0.000 0.822 370 A HN 0.480 nan 8.150 nan 0.000 0.444 371 K N -0.720 119.628 120.400 -0.087 0.000 2.062 371 K HA 0.041 4.367 4.320 0.009 0.000 0.205 371 K C 1.798 178.323 176.600 -0.125 0.000 1.051 371 K CA 1.286 57.514 56.287 -0.097 0.000 0.941 371 K CB -0.315 32.069 32.500 -0.194 0.000 0.719 371 K HN 0.511 nan 8.250 nan 0.000 0.440 372 I N 1.215 121.652 120.570 -0.221 0.000 2.264 372 I HA -0.272 3.904 4.170 0.009 0.000 0.248 372 I C 1.784 177.781 176.117 -0.200 0.000 1.111 372 I CA 1.292 62.394 61.300 -0.329 0.000 1.382 372 I CB -0.090 37.587 38.000 -0.539 0.000 1.060 372 I HN 0.119 nan 8.210 nan 0.000 0.418 373 L N 0.129 121.250 121.223 -0.169 0.000 2.591 373 L HA 0.085 4.431 4.340 0.009 0.000 0.228 373 L C 0.570 177.369 176.870 -0.119 0.000 1.133 373 L CA 0.058 54.803 54.840 -0.158 0.000 0.880 373 L CB -0.438 41.508 42.059 -0.187 0.000 1.033 373 L HN 0.375 nan 8.230 nan 0.000 0.450 374 N N 0.912 119.566 118.700 -0.076 0.000 2.776 374 N HA -0.213 4.532 4.740 0.009 0.000 0.249 374 N C 0.343 175.830 175.510 -0.039 0.000 1.111 374 N CA 0.904 53.933 53.050 -0.036 0.000 0.711 374 N CB -1.147 37.321 38.487 -0.031 0.000 1.065 374 N HN 0.610 nan 8.380 nan 0.000 0.556 375 I N -4.225 116.321 120.570 -0.040 0.000 3.947 375 I HA 0.303 4.478 4.170 0.009 0.000 0.327 375 I C 0.095 176.209 176.117 -0.004 0.000 1.519 375 I CA -0.755 60.509 61.300 -0.060 0.000 1.122 375 I CB -0.063 37.859 38.000 -0.130 0.000 1.146 375 I HN 0.071 nan 8.210 nan 0.000 0.442 376 Y N 4.748 125.000 120.300 -0.079 0.000 2.310 376 Y HA 0.554 5.110 4.550 0.010 0.000 0.326 376 Y C -1.613 174.260 175.900 -0.045 0.000 1.151 376 Y CA -1.853 56.211 58.100 -0.060 0.000 1.195 376 Y CB 1.292 39.721 38.460 -0.051 0.000 1.210 376 Y HN 0.029 nan 8.280 nan 0.000 0.483 377 P HA 0.103 nan 4.420 nan 0.000 0.258 377 P C 0.525 177.567 177.300 -0.431 0.000 1.416 377 P CA 0.184 62.696 63.100 -0.980 0.000 0.927 377 P CB 0.333 31.468 31.700 -0.941 0.000 1.444 378 K N 0.879 121.133 120.400 -0.244 0.000 2.026 378 K HA -0.079 4.246 4.320 0.009 0.000 0.208 378 K C 0.562 177.076 176.600 -0.143 0.000 1.048 378 K CA 1.036 57.222 56.287 -0.167 0.000 0.929 378 K CB 0.153 32.569 32.500 -0.138 0.000 0.713 378 K HN -0.012 nan 8.250 nan 0.000 0.439 379 K N -1.034 119.296 120.400 -0.118 0.000 2.221 379 K HA 0.258 4.583 4.320 0.009 0.000 0.243 379 K C 0.319 176.930 176.600 0.019 0.000 0.968 379 K CA 0.037 56.286 56.287 -0.062 0.000 0.846 379 K CB 1.469 33.926 32.500 -0.072 0.000 1.141 379 K HN 0.357 nan 8.250 nan 0.000 0.434 380 G N -0.187 108.643 108.800 0.050 0.000 2.143 380 G HA2 -0.224 3.741 3.960 0.009 0.000 0.248 380 G HA3 -0.224 3.741 3.960 0.009 0.000 0.248 380 G C -0.017 175.029 174.900 0.243 0.000 0.991 380 G CA 0.490 45.674 45.100 0.139 0.000 0.689 380 G HN 0.819 nan 8.290 nan 0.000 0.522 381 A N -0.629 122.251 122.820 0.100 0.000 2.413 381 A HA 0.856 5.182 4.320 0.009 0.000 0.307 381 A C -0.277 177.332 177.584 0.041 0.000 1.087 381 A CA -0.715 51.366 52.037 0.075 0.000 0.750 381 A CB 1.261 20.093 19.000 -0.279 0.000 1.296 381 A HN 0.687 nan 8.150 nan 0.000 0.423 382 I N 2.459 123.076 120.570 0.078 0.000 2.460 382 I HA 0.371 4.546 4.170 0.009 0.000 0.277 382 I C -1.145 175.013 176.117 0.069 0.000 1.057 382 I CA 0.173 61.510 61.300 0.061 0.000 1.179 382 I CB 0.191 38.235 38.000 0.073 0.000 1.329 382 I HN 0.431 nan 8.210 nan 0.000 0.478 383 L N 4.914 126.144 121.223 0.012 0.000 2.424 383 L HA 0.506 4.851 4.340 0.009 0.000 0.258 383 L C -0.293 176.569 176.870 -0.013 0.000 0.995 383 L CA -1.160 53.684 54.840 0.006 0.000 0.821 383 L CB 2.718 44.747 42.059 -0.049 0.000 1.383 383 L HN 0.006 nan 8.230 nan 0.000 0.410 384 V N 1.800 121.713 119.914 -0.002 0.000 2.617 384 V HA 0.203 4.329 4.120 0.009 0.000 0.304 384 V C 1.219 177.291 176.094 -0.036 0.000 1.040 384 V CA 1.844 64.137 62.300 -0.012 0.000 1.149 384 V CB 0.388 32.209 31.823 -0.004 0.000 0.914 384 V HN 1.121 nan 8.190 nan 0.000 0.487 385 G N 3.402 112.178 108.800 -0.039 0.000 2.234 385 G HA2 -0.126 3.840 3.960 0.009 0.000 0.235 385 G HA3 -0.126 3.840 3.960 0.009 0.000 0.235 385 G C 0.489 175.346 174.900 -0.072 0.000 0.997 385 G CA 0.188 45.257 45.100 -0.053 0.000 0.623 385 G HN 1.535 nan 8.290 nan 0.000 0.514 386 A N 0.419 123.189 122.820 -0.082 0.000 2.425 386 A HA 0.522 4.848 4.320 0.009 0.000 0.242 386 A C 0.310 177.852 177.584 -0.071 0.000 1.077 386 A CA 0.407 52.382 52.037 -0.103 0.000 0.781 386 A CB 0.179 19.111 19.000 -0.113 0.000 1.020 386 A HN 0.297 nan 8.150 nan 0.000 0.494 387 D N 0.646 121.002 120.400 -0.074 0.000 2.443 387 D HA 0.332 4.978 4.640 0.009 0.000 0.239 387 D C 0.609 176.892 176.300 -0.029 0.000 1.136 387 D CA 1.101 55.071 54.000 -0.050 0.000 0.879 387 D CB 0.781 41.546 40.800 -0.059 0.000 1.195 387 D HN 0.590 nan 8.370 nan 0.000 0.443 388 A N 2.508 125.320 122.820 -0.013 0.000 3.074 388 A HA 0.083 4.409 4.320 0.009 0.000 0.251 388 A C -0.361 177.231 177.584 0.013 0.000 1.695 388 A CA -0.364 51.671 52.037 -0.002 0.000 1.343 388 A CB -0.367 18.630 19.000 -0.006 0.000 1.078 388 A HN 0.239 nan 8.150 nan 0.000 0.644 389 D N 0.973 121.380 120.400 0.013 0.000 2.380 389 D HA 0.554 5.200 4.640 0.009 0.000 0.230 389 D C -0.411 175.911 176.300 0.037 0.000 1.154 389 D CA 0.572 54.589 54.000 0.028 0.000 0.859 389 D CB 0.845 41.654 40.800 0.015 0.000 1.045 389 D HN 0.359 nan 8.370 nan 0.000 0.495 390 L N 1.364 122.619 121.223 0.053 0.000 2.434 390 L HA 0.537 4.883 4.340 0.009 0.000 0.260 390 L C -0.809 176.125 176.870 0.107 0.000 0.983 390 L CA -1.169 53.713 54.840 0.070 0.000 0.820 390 L CB 2.678 44.769 42.059 0.053 0.000 1.361 390 L HN -0.004 nan 8.230 nan 0.000 0.410 391 V N 3.126 123.123 119.914 0.140 0.000 2.495 391 V HA 0.544 4.670 4.120 0.009 0.000 0.298 391 V C -0.745 175.479 176.094 0.217 0.000 1.031 391 V CA -0.459 61.962 62.300 0.201 0.000 0.871 391 V CB 2.233 34.225 31.823 0.282 0.000 0.988 391 V HN 0.430 nan 8.190 nan 0.000 0.432 392 V N 7.425 127.473 119.914 0.224 0.000 2.348 392 V HA 0.335 4.461 4.120 0.009 0.000 0.270 392 V C -0.322 175.862 176.094 0.149 0.000 1.037 392 V CA -0.490 61.936 62.300 0.210 0.000 0.872 392 V CB 1.235 33.247 31.823 0.315 0.000 1.002 392 V HN 0.877 nan 8.190 nan 0.000 0.464 393 W N 5.431 126.675 121.300 -0.094 0.000 2.329 393 W HA 0.359 5.025 4.660 0.010 0.000 0.312 393 W C -0.610 175.758 176.519 -0.253 0.000 1.054 393 W CA -0.586 56.623 57.345 -0.227 0.000 1.245 393 W CB 1.670 30.917 29.460 -0.355 0.000 1.255 393 W HN 0.542 nan 8.180 nan 0.000 0.436 394 D N 8.557 128.683 120.400 -0.456 0.000 2.380 394 D HA 0.146 4.792 4.640 0.009 0.000 0.230 394 D C -1.301 174.788 176.300 -0.352 0.000 1.154 394 D CA -2.257 51.541 54.000 -0.336 0.000 0.859 394 D CB 1.731 42.328 40.800 -0.338 0.000 1.045 394 D HN 0.153 nan 8.370 nan 0.000 0.495 395 P HA -0.053 nan 4.420 nan 0.000 0.234 395 P C 0.492 177.834 177.300 0.070 0.000 1.167 395 P CA 0.659 63.839 63.100 0.133 0.000 0.763 395 P CB 0.437 32.416 31.700 0.465 0.000 0.835 396 K N -0.770 119.604 120.400 -0.044 0.000 2.354 396 K HA 0.102 4.428 4.320 0.009 0.000 0.194 396 K C 1.177 177.718 176.600 -0.099 0.000 1.038 396 K CA -0.281 55.978 56.287 -0.046 0.000 1.052 396 K CB 0.394 32.869 32.500 -0.043 0.000 0.861 396 K HN 0.013 nan 8.250 nan 0.000 0.535 397 R N 2.400 122.790 120.500 -0.183 0.000 2.316 397 R HA 0.051 4.396 4.340 0.009 0.000 0.314 397 R C -0.561 175.630 176.300 -0.181 0.000 1.069 397 R CA 0.131 56.106 56.100 -0.209 0.000 0.959 397 R CB 0.535 30.654 30.300 -0.303 0.000 0.987 397 R HN 0.020 nan 8.270 nan 0.000 0.446 398 S N 3.513 119.141 115.700 -0.119 0.000 2.599 398 S HA 0.697 5.172 4.470 0.009 0.000 0.294 398 S C -1.194 173.369 174.600 -0.060 0.000 1.094 398 S CA -0.938 57.216 58.200 -0.077 0.000 0.931 398 S CB 2.093 65.271 63.200 -0.037 0.000 1.093 398 S HN 0.762 nan 8.310 nan 0.000 0.488 399 K N -0.059 120.323 120.400 -0.030 0.000 2.579 399 K HA 0.551 4.877 4.320 0.009 0.000 0.284 399 K C -1.519 175.098 176.600 0.029 0.000 0.990 399 K CA -0.840 55.441 56.287 -0.009 0.000 0.880 399 K CB 1.211 33.697 32.500 -0.023 0.000 1.488 399 K HN 0.471 nan 8.250 nan 0.000 0.425 400 T N 2.090 116.668 114.554 0.040 0.000 2.771 400 T HA 0.347 4.702 4.350 0.009 0.000 0.291 400 T C 0.313 175.058 174.700 0.074 0.000 0.954 400 T CA -0.588 61.554 62.100 0.069 0.000 1.045 400 T CB 0.087 68.995 68.868 0.066 0.000 0.917 400 T HN 0.361 nan 8.240 nan 0.000 0.484 401 I N 3.048 123.681 120.570 0.104 0.000 2.618 401 I HA 0.236 4.412 4.170 0.009 0.000 0.284 401 I C 0.784 176.969 176.117 0.114 0.000 1.146 401 I CA 0.428 61.795 61.300 0.113 0.000 1.425 401 I CB 0.625 38.721 38.000 0.160 0.000 1.383 401 I HN 0.498 nan 8.210 nan 0.000 0.562 402 S N 3.747 119.504 115.700 0.095 0.000 2.533 402 S HA 0.552 5.028 4.470 0.009 0.000 0.271 402 S C 0.513 175.160 174.600 0.078 0.000 1.143 402 S CA -0.127 58.126 58.200 0.088 0.000 0.891 402 S CB 1.689 64.930 63.200 0.068 0.000 1.105 402 S HN 0.690 nan 8.310 nan 0.000 0.468 403 A N 3.199 126.069 122.820 0.083 0.000 2.024 403 A HA -0.031 4.295 4.320 0.009 0.000 0.220 403 A C 1.993 179.607 177.584 0.049 0.000 1.164 403 A CA 1.817 53.892 52.037 0.064 0.000 0.643 403 A CB -0.624 18.423 19.000 0.080 0.000 0.806 403 A HN 0.762 nan 8.150 nan 0.000 0.451 404 K N -0.719 119.711 120.400 0.050 0.000 2.209 404 K HA -0.062 4.263 4.320 0.009 0.000 0.204 404 K C 1.901 178.518 176.600 0.029 0.000 1.048 404 K CA 1.640 57.951 56.287 0.039 0.000 0.940 404 K CB -0.908 31.615 32.500 0.037 0.000 0.729 404 K HN 0.979 nan 8.250 nan 0.000 0.451 405 T N -1.482 113.089 114.554 0.030 0.000 3.040 405 T HA 0.090 4.445 4.350 0.009 0.000 0.266 405 T C 0.664 175.375 174.700 0.018 0.000 1.005 405 T CA -0.591 61.520 62.100 0.019 0.000 0.906 405 T CB -0.155 68.722 68.868 0.014 0.000 1.082 405 T HN 0.535 nan 8.240 nan 0.000 0.531 406 Q N 0.539 120.355 119.800 0.027 0.000 2.382 406 Q HA 0.348 4.694 4.340 0.009 0.000 0.229 406 Q C 0.516 176.527 176.000 0.018 0.000 1.006 406 Q CA -0.807 55.014 55.803 0.029 0.000 0.916 406 Q CB 0.895 29.657 28.738 0.041 0.000 1.235 406 Q HN -0.065 nan 8.270 nan 0.000 0.512 407 Q N 0.664 120.474 119.800 0.018 0.000 2.212 407 Q HA 0.035 4.381 4.340 0.009 0.000 0.199 407 Q C 0.638 176.643 176.000 0.009 0.000 0.950 407 Q CA 0.609 56.417 55.803 0.008 0.000 0.863 407 Q CB -0.088 28.651 28.738 0.002 0.000 0.944 407 Q HN 0.741 nan 8.270 nan 0.000 0.465 408 S N 0.170 115.884 115.700 0.023 0.000 2.558 408 S HA 0.098 4.574 4.470 0.009 0.000 0.291 408 S C 1.085 175.685 174.600 0.000 0.000 1.306 408 S CA 0.311 58.529 58.200 0.030 0.000 1.056 408 S CB 0.725 63.962 63.200 0.061 0.000 0.836 408 S HN 0.338 nan 8.310 nan 0.000 0.504 409 A N 4.734 127.552 122.820 -0.003 0.000 2.167 409 A HA 0.195 4.521 4.320 0.009 0.000 0.214 409 A C 1.041 178.608 177.584 -0.029 0.000 1.151 409 A CA 0.513 52.544 52.037 -0.011 0.000 0.735 409 A CB -0.817 18.180 19.000 -0.005 0.000 0.802 409 A HN 0.919 nan 8.150 nan 0.000 0.467 410 I N -2.818 117.708 120.570 -0.073 0.000 3.156 410 I HA 0.239 4.415 4.170 0.009 0.000 0.306 410 I C 0.730 176.781 176.117 -0.110 0.000 1.048 410 I CA -0.206 61.020 61.300 -0.123 0.000 1.207 410 I CB 0.534 38.369 38.000 -0.275 0.000 1.456 410 I HN 0.189 nan 8.210 nan 0.000 0.616 411 D N 0.323 120.691 120.400 -0.053 0.000 2.339 411 D HA 0.038 4.683 4.640 0.009 0.000 0.217 411 D C -0.038 176.343 176.300 0.135 0.000 1.050 411 D CA 0.230 54.269 54.000 0.066 0.000 0.856 411 D CB -0.116 40.766 40.800 0.136 0.000 0.922 411 D HN 0.763 nan 8.370 nan 0.000 0.518 412 Y N -1.625 118.684 120.300 0.014 0.000 2.715 412 Y HA 0.630 5.186 4.550 0.009 0.000 0.331 412 Y C -1.290 174.616 175.900 0.009 0.000 1.197 412 Y CA -1.593 56.509 58.100 0.003 0.000 1.079 412 Y CB 0.945 39.388 38.460 -0.029 0.000 1.298 412 Y HN -0.224 nan 8.280 nan 0.000 0.477 413 N N 0.475 119.285 118.700 0.183 0.000 2.478 413 N HA 0.210 4.956 4.740 0.009 0.000 0.291 413 N C 0.118 175.714 175.510 0.142 0.000 1.090 413 N CA -0.296 52.815 53.050 0.102 0.000 0.911 413 N CB 2.601 41.164 38.487 0.126 0.000 1.546 413 N HN 0.938 nan 8.380 nan 0.000 0.500 414 V N 1.310 121.245 119.914 0.035 0.000 3.078 414 V HA 0.090 4.215 4.120 0.009 0.000 0.265 414 V C 0.882 176.775 176.094 -0.334 0.000 1.122 414 V CA 1.198 63.398 62.300 -0.166 0.000 1.141 414 V CB -1.074 30.614 31.823 -0.223 0.000 0.735 414 V HN 0.456 nan 8.190 nan 0.000 0.498 415 F N 0.658 120.656 119.950 0.080 0.000 2.660 415 F HA 0.466 4.998 4.527 0.009 0.000 0.302 415 F C 1.048 176.892 175.800 0.072 0.000 1.103 415 F CA -0.954 57.086 58.000 0.065 0.000 1.340 415 F CB -0.395 38.649 39.000 0.074 0.000 1.048 415 F HN 0.161 nan 8.300 nan 0.000 0.551 416 E N 0.777 121.082 120.200 0.176 0.000 2.652 416 E HA 0.234 4.590 4.350 0.009 0.000 0.255 416 E C 1.384 178.066 176.600 0.137 0.000 0.952 416 E CA 1.216 57.703 56.400 0.145 0.000 0.947 416 E CB 0.035 29.802 29.700 0.112 0.000 0.912 416 E HN 0.505 nan 8.360 nan 0.000 0.489 417 G N 3.940 112.819 108.800 0.131 0.000 2.176 417 G HA2 -0.265 3.701 3.960 0.009 0.000 0.253 417 G HA3 -0.265 3.701 3.960 0.009 0.000 0.253 417 G C -0.156 174.825 174.900 0.135 0.000 0.979 417 G CA 0.293 45.463 45.100 0.116 0.000 0.641 417 G HN 0.468 nan 8.290 nan 0.000 0.530 418 K N 2.245 122.750 120.400 0.175 0.000 2.322 418 K HA 0.404 4.730 4.320 0.009 0.000 0.283 418 K C 0.818 177.552 176.600 0.225 0.000 1.042 418 K CA 0.516 56.931 56.287 0.213 0.000 0.958 418 K CB 0.944 33.599 32.500 0.259 0.000 0.984 418 K HN 0.538 nan 8.250 nan 0.000 0.473 419 T N -1.100 113.602 114.554 0.247 0.000 2.856 419 T HA 0.450 4.806 4.350 0.009 0.000 0.292 419 T C 0.360 175.180 174.700 0.200 0.000 0.980 419 T CA -0.895 61.315 62.100 0.184 0.000 1.091 419 T CB 0.840 69.789 68.868 0.135 0.000 0.936 419 T HN 0.308 nan 8.240 nan 0.000 0.503 420 V N -0.088 119.898 119.914 0.120 0.000 2.735 420 V HA 0.849 4.975 4.120 0.009 0.000 0.310 420 V C -0.472 175.644 176.094 0.038 0.000 1.061 420 V CA -0.767 61.587 62.300 0.089 0.000 0.913 420 V CB 1.927 33.830 31.823 0.133 0.000 1.005 420 V HN 0.998 nan 8.190 nan 0.000 0.428 421 T N 2.891 117.475 114.554 0.051 0.000 2.847 421 T HA 0.827 5.182 4.350 0.009 0.000 0.291 421 T C 0.062 174.838 174.700 0.127 0.000 0.998 421 T CA 0.110 62.235 62.100 0.042 0.000 0.967 421 T CB 0.768 69.661 68.868 0.041 0.000 0.954 421 T HN 2.064 nan 8.240 nan 0.000 0.441 422 G N 2.993 111.748 108.800 -0.075 0.000 3.306 422 G HA2 0.164 4.129 3.960 0.009 0.000 0.672 422 G HA3 0.164 4.129 3.960 0.009 0.000 0.672 422 G C -1.392 173.007 174.900 -0.835 0.000 1.212 422 G CA -1.042 43.866 45.100 -0.320 0.000 1.150 422 G HN 0.753 nan 8.290 nan 0.000 0.509 423 L N 2.614 122.982 121.223 -1.425 0.000 2.540 423 L HA 0.583 4.928 4.340 0.009 0.000 0.256 423 L C -2.412 173.597 176.870 -1.435 0.000 1.001 423 L CA -2.470 51.523 54.840 -1.411 0.000 0.843 423 L CB 3.164 44.835 42.059 -0.646 0.000 1.436 423 L HN 0.282 nan 8.230 nan 0.000 0.410 424 P HA 0.076 nan 4.420 nan 0.000 0.264 424 P C -0.263 176.776 177.300 -0.434 0.000 1.193 424 P CA 0.101 62.903 63.100 -0.496 0.000 0.763 424 P CB 0.738 32.316 31.700 -0.203 0.000 0.810 425 R N 3.148 123.401 120.500 -0.413 0.000 2.066 425 R HA 0.119 4.465 4.340 0.009 0.000 0.224 425 R C -0.092 175.762 176.300 -0.742 0.000 1.122 425 R CA 1.015 56.758 56.100 -0.594 0.000 0.974 425 R CB 0.129 30.042 30.300 -0.645 0.000 0.871 425 R HN 0.381 nan 8.270 nan 0.000 0.435 426 F N -0.523 119.388 119.950 -0.065 0.000 2.578 426 F HA 0.371 4.904 4.527 0.009 0.000 0.311 426 F C -0.737 175.058 175.800 -0.009 0.000 1.094 426 F CA -1.042 56.935 58.000 -0.038 0.000 0.923 426 F CB 2.609 41.592 39.000 -0.029 0.000 1.230 426 F HN -0.256 nan 8.300 nan 0.000 0.450 427 T N 3.870 118.536 114.554 0.186 0.000 2.812 427 T HA 0.665 5.021 4.350 0.009 0.000 0.282 427 T C -0.922 173.836 174.700 0.097 0.000 0.990 427 T CA -0.543 61.635 62.100 0.130 0.000 0.960 427 T CB 1.239 70.162 68.868 0.092 0.000 0.948 427 T HN 0.205 nan 8.240 nan 0.000 0.438 428 L N 2.623 123.892 121.223 0.078 0.000 2.322 428 L HA 0.657 5.002 4.340 0.009 0.000 0.281 428 L C 0.530 177.426 176.870 0.043 0.000 1.014 428 L CA -0.455 54.406 54.840 0.035 0.000 0.815 428 L CB 2.007 44.074 42.059 0.013 0.000 1.247 428 L HN 0.640 nan 8.230 nan 0.000 0.421 429 T N 3.183 117.759 114.554 0.038 0.000 2.791 429 T HA 0.401 4.756 4.350 0.009 0.000 0.288 429 T C 0.390 175.196 174.700 0.176 0.000 0.999 429 T CA -0.457 61.707 62.100 0.107 0.000 0.952 429 T CB 0.046 69.015 68.868 0.167 0.000 0.938 429 T HN 0.612 nan 8.240 nan 0.000 0.444 430 R N 3.437 124.014 120.500 0.128 0.000 3.225 430 R HA -0.250 4.096 4.340 0.009 0.000 0.245 430 R C 1.265 177.611 176.300 0.076 0.000 0.928 430 R CA 0.948 57.109 56.100 0.102 0.000 0.632 430 R CB -1.738 28.631 30.300 0.115 0.000 1.038 430 R HN 1.357 nan 8.270 nan 0.000 0.461 431 G N -1.556 107.260 108.800 0.026 0.000 2.184 431 G HA2 -0.340 3.626 3.960 0.009 0.000 0.264 431 G HA3 -0.340 3.626 3.960 0.009 0.000 0.264 431 G C 0.208 175.082 174.900 -0.044 0.000 0.975 431 G CA 0.128 45.221 45.100 -0.012 0.000 0.642 431 G HN 0.315 nan 8.290 nan 0.000 0.536 432 V N 1.878 121.748 119.914 -0.074 0.000 2.408 432 V HA 0.413 4.539 4.120 0.009 0.000 0.267 432 V C 0.997 177.025 176.094 -0.109 0.000 1.047 432 V CA -0.542 61.666 62.300 -0.152 0.000 0.937 432 V CB 1.602 33.191 31.823 -0.391 0.000 0.999 432 V HN 0.253 nan 8.190 nan 0.000 0.472 433 V N 5.389 125.256 119.914 -0.078 0.000 2.403 433 V HA 0.089 4.214 4.120 0.009 0.000 0.265 433 V C 1.099 177.183 176.094 -0.017 0.000 1.034 433 V CA 0.528 62.811 62.300 -0.029 0.000 1.036 433 V CB 0.707 32.510 31.823 -0.033 0.000 1.032 433 V HN 1.013 nan 8.190 nan 0.000 0.478 434 S N 4.714 120.414 115.700 -0.000 0.000 2.512 434 S HA 0.407 4.882 4.470 0.009 0.000 0.216 434 S C 0.331 174.941 174.600 0.017 0.000 1.006 434 S CA 0.075 58.269 58.200 -0.009 0.000 0.915 434 S CB 0.358 63.546 63.200 -0.019 0.000 0.824 434 S HN 0.530 nan 8.310 nan 0.000 0.497 435 I N 1.711 122.309 120.570 0.046 0.000 2.607 435 I HA 0.425 4.601 4.170 0.009 0.000 0.290 435 I C -0.722 175.435 176.117 0.067 0.000 1.129 435 I CA -0.313 61.006 61.300 0.032 0.000 1.042 435 I CB 2.083 40.089 38.000 0.011 0.000 1.242 435 I HN 0.069 nan 8.210 nan 0.000 0.421 436 E N 5.997 126.210 120.200 0.023 0.000 2.373 436 E HA 0.270 4.626 4.350 0.009 0.000 0.251 436 E C -0.823 175.692 176.600 -0.141 0.000 0.923 436 E CA -0.283 56.112 56.400 -0.009 0.000 0.798 436 E CB 0.903 30.685 29.700 0.136 0.000 1.303 436 E HN 0.572 nan 8.360 nan 0.000 0.412 437 E N 2.754 122.788 120.200 -0.277 0.000 2.246 437 E HA -0.306 4.050 4.350 0.009 0.000 0.173 437 E C 0.622 177.129 176.600 -0.155 0.000 1.532 437 E CA 0.745 56.994 56.400 -0.252 0.000 0.672 437 E CB -1.168 28.377 29.700 -0.259 0.000 1.078 437 E HN 1.084 nan 8.360 nan 0.000 0.338 438 G N 0.996 109.717 108.800 -0.132 0.000 2.220 438 G HA2 -0.372 3.594 3.960 0.009 0.000 0.269 438 G HA3 -0.372 3.594 3.960 0.009 0.000 0.269 438 G C 0.415 175.279 174.900 -0.060 0.000 0.977 438 G CA 0.764 45.810 45.100 -0.089 0.000 0.634 438 G HN 0.413 nan 8.290 nan 0.000 0.539 439 T N 1.302 115.823 114.554 -0.055 0.000 2.749 439 T HA 0.491 4.846 4.350 0.009 0.000 0.295 439 T C 0.397 175.086 174.700 -0.020 0.000 0.936 439 T CA -0.226 61.856 62.100 -0.030 0.000 1.060 439 T CB 2.002 70.858 68.868 -0.019 0.000 0.904 439 T HN 0.335 nan 8.240 nan 0.000 0.500 440 V N 6.190 126.096 119.914 -0.014 0.000 2.385 440 V HA 0.315 4.441 4.120 0.009 0.000 0.269 440 V C 0.701 176.794 176.094 -0.003 0.000 1.043 440 V CA -0.402 61.893 62.300 -0.008 0.000 0.906 440 V CB 0.546 32.364 31.823 -0.007 0.000 0.995 440 V HN 0.861 nan 8.190 nan 0.000 0.467 441 K N 2.208 122.608 120.400 -0.000 0.000 3.206 441 K HA 0.299 4.624 4.320 0.009 0.000 0.180 441 K C 0.022 176.617 176.600 -0.009 0.000 1.088 441 K CA -0.479 55.807 56.287 -0.003 0.000 0.872 441 K CB 0.570 33.069 32.500 -0.001 0.000 0.976 441 K HN 0.605 nan 8.250 nan 0.000 0.564 442 T N -0.787 113.766 114.554 -0.002 0.000 2.899 442 T HA 0.134 4.489 4.350 0.009 0.000 0.295 442 T C -0.007 174.695 174.700 0.004 0.000 1.033 442 T CA -0.445 61.656 62.100 0.001 0.000 1.084 442 T CB 1.128 70.006 68.868 0.017 0.000 0.979 442 T HN 0.380 nan 8.240 nan 0.000 0.532 443 Q N 1.245 121.051 119.800 0.011 0.000 2.381 443 Q HA 0.238 4.583 4.340 0.009 0.000 0.263 443 Q C -0.541 175.510 176.000 0.085 0.000 1.030 443 Q CA -0.430 55.392 55.803 0.033 0.000 0.772 443 Q CB 1.568 30.309 28.738 0.006 0.000 1.232 443 Q HN 0.679 nan 8.270 nan 0.000 0.476 444 E N 0.609 120.848 120.200 0.066 0.000 2.465 444 E HA 0.048 4.404 4.350 0.009 0.000 0.260 444 E C 0.853 177.506 176.600 0.089 0.000 0.980 444 E CA 0.832 57.276 56.400 0.073 0.000 0.927 444 E CB 0.408 30.136 29.700 0.047 0.000 0.934 444 E HN 0.948 nan 8.360 nan 0.000 0.459 445 G N 2.557 111.417 108.800 0.101 0.000 2.179 445 G HA2 -0.399 3.567 3.960 0.009 0.000 0.260 445 G HA3 -0.399 3.567 3.960 0.009 0.000 0.260 445 G C 0.717 175.690 174.900 0.121 0.000 0.977 445 G CA 0.871 46.028 45.100 0.095 0.000 0.641 445 G HN 0.823 nan 8.290 nan 0.000 0.533 446 H N 1.026 120.134 119.070 0.063 0.000 2.387 446 H HA 0.219 4.781 4.556 0.009 0.000 0.299 446 H C 1.941 177.316 175.328 0.079 0.000 1.090 446 H CA 2.172 58.254 56.048 0.056 0.000 1.332 446 H CB -0.504 29.284 29.762 0.043 0.000 1.386 446 H HN 0.667 nan 8.280 nan 0.000 0.516 447 G N 0.392 109.213 108.800 0.035 0.000 2.441 447 G HA2 0.270 4.235 3.960 0.009 0.000 0.243 447 G HA3 0.270 4.235 3.960 0.009 0.000 0.243 447 G C -0.753 174.196 174.900 0.081 0.000 1.281 447 G CA -0.371 44.763 45.100 0.056 0.000 0.854 447 G HN 0.583 nan 8.290 nan 0.000 0.560 448 E N -0.228 119.895 120.200 -0.128 0.000 2.336 448 E HA 0.337 4.693 4.350 0.009 0.000 0.267 448 E C -1.119 175.044 176.600 -0.729 0.000 0.906 448 E CA -0.843 55.413 56.400 -0.239 0.000 0.781 448 E CB 2.292 31.867 29.700 -0.210 0.000 1.261 448 E HN 0.397 nan 8.360 nan 0.000 0.436 449 F N 2.084 121.500 119.950 -0.891 0.000 2.495 449 F HA 0.162 4.695 4.527 0.009 0.000 0.365 449 F C -0.572 174.865 175.800 -0.604 0.000 1.090 449 F CA -0.294 57.073 58.000 -1.055 0.000 1.235 449 F CB 0.551 39.174 39.000 -0.628 0.000 1.119 449 F HN 0.065 nan 8.300 nan 0.000 0.562 450 V N 7.908 127.031 119.914 -1.319 0.000 2.364 450 V HA 0.350 4.475 4.120 0.009 0.000 0.272 450 V C 0.175 175.565 176.094 -1.173 0.000 1.036 450 V CA -0.713 61.031 62.300 -0.926 0.000 0.880 450 V CB 0.789 32.218 31.823 -0.656 0.000 0.991 450 V HN 0.666 nan 8.190 nan 0.000 0.460 451 R N 5.011 125.117 120.500 -0.657 0.000 2.441 451 R HA 0.610 4.955 4.340 0.009 0.000 0.284 451 R C -0.331 175.799 176.300 -0.283 0.000 1.070 451 R CA -0.473 55.410 56.100 -0.361 0.000 1.047 451 R CB 1.083 31.339 30.300 -0.073 0.000 1.016 451 R HN 0.640 nan 8.270 nan 0.000 0.477 452 R N 1.486 121.863 120.500 -0.206 0.000 2.686 452 R HA 0.320 4.666 4.340 0.009 0.000 0.286 452 R C -1.085 175.164 176.300 -0.084 0.000 0.969 452 R CA -1.057 54.946 56.100 -0.163 0.000 0.898 452 R CB 1.722 31.899 30.300 -0.206 0.000 1.183 452 R HN 0.467 nan 8.270 nan 0.000 0.456 453 D N 2.985 123.351 120.400 -0.057 0.000 2.229 453 D HA 0.321 4.966 4.640 0.009 0.000 0.249 453 D C -1.962 174.333 176.300 -0.009 0.000 1.027 453 D CA -1.543 52.451 54.000 -0.009 0.000 0.923 453 D CB 1.419 42.230 40.800 0.018 0.000 1.174 453 D HN 0.175 nan 8.370 nan 0.000 0.443 454 P HA 0.242 nan 4.420 nan 0.000 0.289 454 P C -0.314 177.020 177.300 0.058 0.000 1.299 454 P CA -0.500 62.553 63.100 -0.079 0.000 0.766 454 P CB 0.448 32.026 31.700 -0.203 0.000 1.226 455 F N -3.509 116.459 119.950 0.031 0.000 2.807 455 F HA -0.146 4.386 4.527 0.008 0.000 0.297 455 F C -1.538 174.281 175.800 0.031 0.000 1.024 455 F CA -0.234 57.786 58.000 0.034 0.000 1.008 455 F CB -2.722 36.297 39.000 0.032 0.000 1.142 455 F HN 0.265 nan 8.300 nan 0.000 0.829 456 P HA 0.258 nan 4.420 nan 0.000 0.273 456 P C 0.848 178.227 177.300 0.132 0.000 1.250 456 P CA 0.494 63.658 63.100 0.107 0.000 0.793 456 P CB 0.795 32.535 31.700 0.067 0.000 1.011 457 A N 0.881 123.763 122.820 0.103 0.000 1.940 457 A HA -0.157 4.168 4.320 0.009 0.000 0.219 457 A C 2.262 179.907 177.584 0.101 0.000 1.176 457 A CA 2.051 54.144 52.037 0.094 0.000 0.631 457 A CB -1.629 17.411 19.000 0.068 0.000 0.814 457 A HN 0.404 nan 8.150 nan 0.000 0.446 458 V N -0.294 119.686 119.914 0.110 0.000 2.343 458 V HA -0.204 3.922 4.120 0.009 0.000 0.247 458 V C 2.552 178.715 176.094 0.114 0.000 1.051 458 V CA 2.881 65.248 62.300 0.112 0.000 1.036 458 V CB -0.479 31.444 31.823 0.167 0.000 0.654 458 V HN 0.558 nan 8.190 nan 0.000 0.451 459 S N -0.391 115.391 115.700 0.136 0.000 2.355 459 S HA -0.185 4.290 4.470 0.009 0.000 0.222 459 S C 1.925 176.639 174.600 0.190 0.000 1.031 459 S CA 1.979 60.267 58.200 0.147 0.000 0.993 459 S CB -0.519 62.759 63.200 0.129 0.000 0.859 459 S HN 0.752 nan 8.310 nan 0.000 0.453 460 T N 2.346 117.027 114.554 0.211 0.000 2.746 460 T HA -0.041 4.315 4.350 0.009 0.000 0.267 460 T C 2.101 176.879 174.700 0.130 0.000 1.039 460 T CA 1.257 63.464 62.100 0.178 0.000 1.142 460 T CB -0.455 68.491 68.868 0.130 0.000 0.866 460 T HN 0.451 nan 8.240 nan 0.000 0.444 461 A N 1.193 124.081 122.820 0.114 0.000 1.898 461 A HA 0.045 4.370 4.320 0.009 0.000 0.216 461 A C 2.222 179.892 177.584 0.144 0.000 1.181 461 A CA 1.105 53.203 52.037 0.102 0.000 0.620 461 A CB -0.745 18.292 19.000 0.062 0.000 0.819 461 A HN 0.399 nan 8.150 nan 0.000 0.442 462 L N 0.146 121.452 121.223 0.138 0.000 2.046 462 L HA -0.100 4.246 4.340 0.009 0.000 0.208 462 L C 2.448 179.435 176.870 0.196 0.000 1.077 462 L CA 2.603 57.548 54.840 0.175 0.000 0.747 462 L CB -0.851 41.282 42.059 0.123 0.000 0.896 462 L HN 0.287 nan 8.230 nan 0.000 0.432 463 S N -0.915 114.882 115.700 0.161 0.000 2.370 463 S HA -0.204 4.272 4.470 0.009 0.000 0.226 463 S C 1.796 176.470 174.600 0.123 0.000 1.033 463 S CA 1.790 60.072 58.200 0.138 0.000 1.011 463 S CB -0.648 62.640 63.200 0.146 0.000 0.852 463 S HN 0.621 nan 8.310 nan 0.000 0.457 464 T N 1.132 115.768 114.554 0.138 0.000 2.684 464 T HA -0.152 4.203 4.350 0.009 0.000 0.267 464 T C 1.333 176.145 174.700 0.187 0.000 1.036 464 T CA 1.139 63.319 62.100 0.134 0.000 1.148 464 T CB -0.355 68.591 68.868 0.130 0.000 0.863 464 T HN 0.635 nan 8.240 nan 0.000 0.436 465 W N 2.096 123.411 121.300 0.024 0.000 2.358 465 W HA -0.132 4.527 4.660 -0.002 0.000 0.303 465 W C 1.753 178.285 176.519 0.021 0.000 1.208 465 W CA 0.764 58.120 57.345 0.019 0.000 1.274 465 W CB -0.040 29.429 29.460 0.015 0.000 1.138 465 W HN 0.101 nan 8.180 nan 0.000 0.515 466 K N 0.692 121.088 120.400 -0.008 0.000 2.057 466 K HA -0.232 4.093 4.320 0.009 0.000 0.207 466 K C 1.621 178.138 176.600 -0.137 0.000 1.049 466 K CA 1.889 58.103 56.287 -0.121 0.000 0.931 466 K CB -0.766 31.738 32.500 0.006 0.000 0.714 466 K HN 0.172 nan 8.250 nan 0.000 0.440 467 E N 1.056 121.221 120.200 -0.059 0.000 2.072 467 E HA -0.097 4.258 4.350 0.009 0.000 0.191 467 E C 1.909 178.449 176.600 -0.100 0.000 0.985 467 E CA 0.887 57.255 56.400 -0.053 0.000 0.801 467 E CB -0.190 29.508 29.700 -0.003 0.000 0.750 467 E HN -0.036 nan 8.360 nan 0.000 0.452 468 V N 0.554 120.393 119.914 -0.124 0.000 2.407 468 V HA -0.224 3.901 4.120 0.009 0.000 0.248 468 V C 2.279 178.200 176.094 -0.287 0.000 1.055 468 V CA 2.252 64.460 62.300 -0.153 0.000 1.049 468 V CB -0.835 30.945 31.823 -0.071 0.000 0.662 468 V HN 0.602 nan 8.190 nan 0.000 0.455 469 T N -2.145 112.131 114.554 -0.464 0.000 3.086 469 T HA 0.415 4.770 4.350 0.009 0.000 0.250 469 T C 0.767 175.305 174.700 -0.270 0.000 1.074 469 T CA 0.442 62.255 62.100 -0.478 0.000 0.988 469 T CB -0.066 68.325 68.868 -0.796 0.000 0.988 469 T HN 0.403 nan 8.240 nan 0.000 0.530 470 A N 4.016 126.721 122.820 -0.191 0.000 2.548 470 A HA 0.452 4.778 4.320 0.009 0.000 0.247 470 A C -1.811 175.721 177.584 -0.087 0.000 1.067 470 A CA -1.077 50.892 52.037 -0.112 0.000 0.757 470 A CB -0.279 18.678 19.000 -0.072 0.000 0.996 470 A HN 0.395 nan 8.150 nan 0.000 0.504 471 P HA 0.295 nan 4.420 nan 0.000 0.276 471 P C -0.686 176.594 177.300 -0.034 0.000 1.230 471 P CA -0.157 62.913 63.100 -0.049 0.000 0.776 471 P CB 0.726 32.404 31.700 -0.037 0.000 0.888 472 R N 1.451 121.933 120.500 -0.030 0.000 2.732 472 R HA 0.642 4.987 4.340 0.009 0.000 0.278 472 R C 0.072 176.363 176.300 -0.016 0.000 0.976 472 R CA -1.079 55.008 56.100 -0.022 0.000 0.963 472 R CB 1.526 31.812 30.300 -0.023 0.000 1.150 472 R HN 0.556 nan 8.270 nan 0.000 0.478 473 A N 1.604 124.418 122.820 -0.011 0.000 2.466 473 A HA 0.237 4.563 4.320 0.009 0.000 0.238 473 A C 0.013 177.593 177.584 -0.008 0.000 1.074 473 A CA -0.226 51.806 52.037 -0.008 0.000 0.774 473 A CB 0.314 19.311 19.000 -0.005 0.000 1.015 473 A HN 0.377 nan 8.150 nan 0.000 0.498 474 V N 2.670 122.580 119.914 -0.006 0.000 2.407 474 V HA 0.220 4.346 4.120 0.009 0.000 0.278 474 V C 0.288 176.380 176.094 -0.004 0.000 1.037 474 V CA -0.395 61.901 62.300 -0.005 0.000 0.900 474 V CB 1.258 33.079 31.823 -0.005 0.000 0.983 474 V HN 0.938 nan 8.190 nan 0.000 0.459 475 Q N 5.587 125.385 119.800 -0.003 0.000 2.296 475 Q HA 0.315 4.660 4.340 0.009 0.000 0.263 475 Q C -0.356 175.643 176.000 -0.002 0.000 1.026 475 Q CA 0.587 56.388 55.803 -0.002 0.000 0.912 475 Q CB 0.272 29.008 28.738 -0.002 0.000 1.198 475 Q HN 0.657 nan 8.270 nan 0.000 0.407 476 R N 1.843 122.342 120.500 -0.001 0.000 2.803 476 R HA 0.674 5.019 4.340 0.009 0.000 0.276 476 R C -0.628 175.672 176.300 0.000 0.000 0.978 476 R CA -0.781 55.319 56.100 -0.000 0.000 0.939 476 R CB 1.901 32.201 30.300 -0.000 0.000 1.179 476 R HN 0.804 nan 8.270 nan 0.000 0.472 477 S N -0.862 114.838 115.700 0.000 0.000 2.664 477 S HA 0.583 5.058 4.470 0.009 0.000 0.304 477 S C 0.691 175.291 174.600 0.001 0.000 1.099 477 S CA -0.185 58.015 58.200 0.000 0.000 1.003 477 S CB 1.729 64.929 63.200 0.000 0.000 1.092 477 S HN 0.927 nan 8.310 nan 0.000 0.525 478 G N 0.770 109.571 108.800 0.001 0.000 2.323 478 G HA2 -0.234 3.732 3.960 0.009 0.000 0.292 478 G HA3 -0.234 3.732 3.960 0.009 0.000 0.292 478 G C -0.013 174.888 174.900 0.001 0.000 1.040 478 G CA 0.120 45.221 45.100 0.001 0.000 0.942 478 G HN 0.869 nan 8.290 nan 0.000 0.506 479 I N 1.021 121.593 120.570 0.003 0.000 2.821 479 I HA 0.047 4.222 4.170 0.009 0.000 0.294 479 I C -0.630 175.491 176.117 0.006 0.000 1.210 479 I CA -1.101 60.201 61.300 0.004 0.000 1.430 479 I CB 0.185 38.188 38.000 0.005 0.000 1.356 479 I HN 0.093 nan 8.210 nan 0.000 0.563 480 P HA 0.156 nan 4.420 nan 0.000 0.271 480 P C -0.425 176.883 177.300 0.013 0.000 1.244 480 P CA -0.502 62.601 63.100 0.005 0.000 0.793 480 P CB 0.419 32.120 31.700 0.001 0.000 0.984 481 A N 0.863 123.692 122.820 0.015 0.000 2.507 481 A HA 0.356 4.681 4.320 0.009 0.000 0.235 481 A C 0.831 178.450 177.584 0.058 0.000 1.070 481 A CA 0.566 52.624 52.037 0.037 0.000 0.768 481 A CB -0.324 18.695 19.000 0.032 0.000 1.011 481 A HN 0.513 nan 8.150 nan 0.000 0.502 482 S N -0.378 115.376 115.700 0.091 0.000 3.206 482 S HA 0.830 5.306 4.470 0.009 0.000 0.261 482 S C 0.378 175.085 174.600 0.179 0.000 1.020 482 S CA 0.784 59.045 58.200 0.103 0.000 1.078 482 S CB 0.570 63.803 63.200 0.055 0.000 1.301 482 S HN 2.757 nan 8.310 nan 0.000 0.677 483 G N -0.272 108.572 108.800 0.072 0.000 2.712 483 G HA2 -0.065 3.900 3.960 0.009 0.000 0.683 483 G HA3 -0.065 3.900 3.960 0.009 0.000 0.683 483 G C -0.562 174.287 174.900 -0.085 0.000 1.320 483 G CA -0.398 44.669 45.100 -0.055 0.000 0.847 483 G HN 1.722 nan 8.290 nan 0.000 0.553 484 V N -1.355 118.430 119.914 -0.214 0.000 2.333 484 V HA 0.754 4.880 4.120 0.009 0.000 0.274 484 V C 0.564 176.498 176.094 -0.266 0.000 1.028 484 V CA -0.865 61.353 62.300 -0.138 0.000 0.851 484 V CB 0.893 32.671 31.823 -0.074 0.000 1.000 484 V HN 0.901 nan 8.190 nan 0.000 0.456 485 H N 0.000 119.070 119.070 0.001 0.000 2.539 485 H HA 0.000 4.561 4.556 0.009 0.000 0.296 485 H CA 0.000 56.048 56.048 0.000 0.000 1.023 485 H CB 0.000 29.762 29.762 0.000 0.000 1.292 485 H HN 0.000 nan 8.280 nan 0.000 0.496