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 2vdh_1_D DATA FIRST_RESID 11 DATA SEQUENCE AGFKAGVKDY RLTYYTPDYV VRDTDILAAF RMTPQPGVPP EECGAAVAAE DATA SEQUENCE SSTGTWTTVW TDGLTSLDRY KGRCYDIEPV PGEDNQYIAY VAYXIDLFEE DATA SEQUENCE GSVTNMFTSI VGNVFGFKAL RALRLEDLRI PPAYVKTFVG XPHGIQVERD DATA SEQUENCE KLNKYGRGLL GSTIKPKLGL SAKNYGRAVY ECLRGGLDFT XDDENVNSQP DATA SEQUENCE FMRWRDRFLF VAEAIYKAQA ETGEVKGHYL NATAGTCEEM MKRAVXAKEL DATA SEQUENCE GVPIIMHDYL TGGFTANTSL AIYCRDNGLL LHIHRAMHAV IDRQRNHGIH DATA SEQUENCE FRVLAKALRM SGGDHLHSGT VVGKLEGERE VTLGFVDLMR DDYVEKDRSR DATA SEQUENCE GIYFTQDWXS MPGVMPVASG GIHVWHMPAL VEIFGDDACL QFGGGTLGHP DATA SEQUENCE WGNAPGAAAN RVALEACTQA RNEGRDLARE GGDVIRSAcK WSPELAAAcE DATA SEQUENCE VWKEIKFEFD TIDKL 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.617 177.584 0.054 0.000 1.274 11 A CA 0.000 52.055 52.037 0.029 0.000 0.836 11 A CB 0.000 19.014 19.000 0.023 0.000 0.831 12 G N 0.234 109.068 108.800 0.057 0.000 2.543 12 G HA2 0.563 4.523 3.960 -0.000 0.000 0.290 12 G HA3 0.563 4.523 3.960 -0.000 0.000 0.290 12 G C -0.317 174.679 174.900 0.161 0.000 1.310 12 G CA -0.577 44.581 45.100 0.096 0.000 1.025 12 G HN 1.337 nan 8.290 nan 0.000 0.502 13 F N 0.815 120.787 119.950 0.037 0.000 2.445 13 F HA 0.449 4.976 4.527 -0.000 0.000 0.359 13 F C 0.401 176.216 175.800 0.025 0.000 1.101 13 F CA -0.947 57.085 58.000 0.053 0.000 1.177 13 F CB 0.867 39.926 39.000 0.099 0.000 1.110 13 F HN 0.132 nan 8.300 nan 0.000 0.522 14 K N 6.415 126.593 120.400 -0.369 0.000 2.449 14 K HA 0.582 4.901 4.320 -0.000 0.000 0.257 14 K C -0.665 175.526 176.600 -0.681 0.000 0.989 14 K CA -0.594 55.387 56.287 -0.509 0.000 0.916 14 K CB 1.057 33.432 32.500 -0.209 0.000 1.136 14 K HN 0.823 nan 8.250 nan 0.000 0.439 15 A N 2.528 124.778 122.820 -0.951 0.000 2.483 15 A HA 0.541 4.861 4.320 -0.000 0.000 0.238 15 A C 0.509 177.953 177.584 -0.233 0.000 1.070 15 A CA 0.965 52.691 52.037 -0.517 0.000 0.770 15 A CB 0.027 18.823 19.000 -0.341 0.000 1.008 15 A HN 0.966 nan 8.150 nan 0.000 0.497 16 G N -0.767 107.947 108.800 -0.142 0.000 2.355 16 G HA2 0.346 4.305 3.960 -0.000 0.000 0.619 16 G HA3 0.346 4.305 3.960 -0.000 0.000 0.619 16 G C -0.977 173.852 174.900 -0.118 0.000 1.337 16 G CA -0.433 44.601 45.100 -0.109 0.000 0.993 16 G HN 1.419 nan 8.290 nan 0.000 0.599 17 V N 1.649 121.520 119.914 -0.071 0.000 2.498 17 V HA 0.647 4.767 4.120 -0.000 0.000 0.279 17 V C 0.702 176.762 176.094 -0.057 0.000 1.048 17 V CA 0.491 62.756 62.300 -0.060 0.000 0.967 17 V CB 1.121 32.980 31.823 0.059 0.000 0.988 17 V HN 1.053 nan 8.190 nan 0.000 0.473 18 K N 1.944 122.290 120.400 -0.090 0.000 2.409 18 K HA 0.615 4.935 4.320 -0.000 0.000 0.252 18 K C -1.330 175.206 176.600 -0.107 0.000 1.036 18 K CA -1.060 55.186 56.287 -0.069 0.000 0.871 18 K CB 1.653 34.123 32.500 -0.050 0.000 1.374 18 K HN 0.329 nan 8.250 nan 0.000 0.459 19 D N 0.774 121.144 120.400 -0.049 0.000 2.443 19 D HA 0.042 4.682 4.640 -0.000 0.000 0.239 19 D C 0.567 176.870 176.300 0.004 0.000 1.136 19 D CA 0.173 54.161 54.000 -0.019 0.000 0.879 19 D CB 0.219 41.041 40.800 0.037 0.000 1.195 19 D HN 0.439 nan 8.370 nan 0.000 0.443 20 Y N 1.156 121.517 120.300 0.101 0.000 2.274 20 Y HA -0.184 4.366 4.550 -0.000 0.000 0.290 20 Y C 2.343 178.367 175.900 0.207 0.000 1.145 20 Y CA 1.094 59.295 58.100 0.169 0.000 1.203 20 Y CB -0.229 38.270 38.460 0.065 0.000 0.984 20 Y HN 0.451 nan 8.280 nan 0.000 0.533 21 R N 0.372 121.036 120.500 0.273 0.000 2.241 21 R HA -0.114 4.226 4.340 -0.000 0.000 0.224 21 R C 1.546 177.962 176.300 0.193 0.000 1.101 21 R CA 1.406 57.645 56.100 0.231 0.000 0.995 21 R CB -0.946 29.435 30.300 0.135 0.000 0.870 21 R HN 0.358 nan 8.270 nan 0.000 0.463 22 L N 0.669 121.970 121.223 0.130 0.000 2.201 22 L HA -0.041 4.299 4.340 -0.000 0.000 0.212 22 L C 1.436 178.308 176.870 0.003 0.000 1.105 22 L CA 1.373 56.250 54.840 0.061 0.000 0.775 22 L CB -0.115 41.963 42.059 0.032 0.000 0.913 22 L HN 0.308 nan 8.230 nan 0.000 0.440 23 T N -3.162 111.380 114.554 -0.021 0.000 3.019 23 T HA 0.054 4.403 4.350 -0.000 0.000 0.247 23 T C 0.979 175.439 174.700 -0.400 0.000 0.992 23 T CA 0.266 62.196 62.100 -0.283 0.000 1.036 23 T CB 0.132 68.696 68.868 -0.505 0.000 1.063 23 T HN 0.114 nan 8.240 nan 0.000 0.476 24 Y N -0.289 120.054 120.300 0.072 0.000 2.481 24 Y HA 0.428 4.977 4.550 -0.000 0.000 0.247 24 Y C 0.005 175.961 175.900 0.093 0.000 1.151 24 Y CA -1.257 56.871 58.100 0.048 0.000 1.238 24 Y CB 0.442 38.931 38.460 0.047 0.000 1.179 24 Y HN 0.173 nan 8.280 nan 0.000 0.524 25 Y N 2.208 122.559 120.300 0.084 0.000 2.385 25 Y HA 0.445 4.995 4.550 -0.000 0.000 0.341 25 Y C -0.013 175.905 175.900 0.031 0.000 0.965 25 Y CA -1.508 56.621 58.100 0.048 0.000 1.180 25 Y CB 0.836 39.319 38.460 0.038 0.000 1.139 25 Y HN 0.039 nan 8.280 nan 0.000 0.502 26 T N 5.583 119.934 114.554 -0.338 0.000 3.410 26 T HA 0.278 4.627 4.350 -0.000 0.000 0.328 26 T C -2.417 172.138 174.700 -0.242 0.000 1.567 26 T CA -1.689 60.249 62.100 -0.269 0.000 1.626 26 T CB 1.014 69.805 68.868 -0.129 0.000 0.939 26 T HN 0.472 nan 8.240 nan 0.000 0.656 27 P HA 0.076 nan 4.420 nan 0.000 0.230 27 P C 0.213 177.487 177.300 -0.044 0.000 1.158 27 P CA 0.664 63.613 63.100 -0.252 0.000 0.769 27 P CB 0.244 31.740 31.700 -0.340 0.000 0.807 28 D N -1.879 118.498 120.400 -0.037 0.000 2.363 28 D HA 0.007 4.646 4.640 -0.000 0.000 0.214 28 D C 0.306 176.630 176.300 0.039 0.000 1.093 28 D CA -0.327 53.673 54.000 0.000 0.000 0.837 28 D CB -0.442 40.346 40.800 -0.019 0.000 0.948 28 D HN 0.175 nan 8.370 nan 0.000 0.507 29 Y N 1.897 122.161 120.300 -0.059 0.000 2.544 29 Y HA 0.099 4.649 4.550 -0.001 0.000 0.330 29 Y C -0.108 175.725 175.900 -0.111 0.000 1.136 29 Y CA -0.195 57.858 58.100 -0.078 0.000 1.417 29 Y CB 0.564 38.983 38.460 -0.068 0.000 1.229 29 Y HN -0.329 nan 8.280 nan 0.000 0.532 30 V N 8.675 128.178 119.914 -0.684 0.000 2.348 30 V HA 0.180 4.300 4.120 -0.000 0.000 0.270 30 V C -0.233 175.218 176.094 -1.072 0.000 1.037 30 V CA -0.793 61.123 62.300 -0.639 0.000 0.872 30 V CB 0.623 32.221 31.823 -0.375 0.000 1.002 30 V HN 0.725 nan 8.190 nan 0.000 0.464 31 V N 4.360 123.777 119.914 -0.828 0.000 2.763 31 V HA 0.348 4.468 4.120 -0.000 0.000 0.306 31 V C 0.495 176.360 176.094 -0.383 0.000 1.059 31 V CA -0.431 61.490 62.300 -0.631 0.000 1.138 31 V CB 0.087 31.622 31.823 -0.478 0.000 0.940 31 V HN 0.830 nan 8.190 nan 0.000 0.489 32 R N 2.734 123.097 120.500 -0.228 0.000 2.500 32 R HA 0.305 4.645 4.340 -0.000 0.000 0.275 32 R C 0.347 176.593 176.300 -0.090 0.000 1.051 32 R CA -0.569 55.453 56.100 -0.129 0.000 1.088 32 R CB 0.675 30.945 30.300 -0.050 0.000 1.063 32 R HN 0.771 nan 8.270 nan 0.000 0.511 33 D N 0.482 120.841 120.400 -0.069 0.000 2.350 33 D HA -0.092 4.548 4.640 -0.000 0.000 0.216 33 D C 1.373 177.654 176.300 -0.032 0.000 0.968 33 D CA 1.347 55.317 54.000 -0.049 0.000 0.894 33 D CB 0.161 40.941 40.800 -0.033 0.000 0.909 33 D HN 0.627 nan 8.370 nan 0.000 0.520 34 T N -2.853 111.691 114.554 -0.017 0.000 3.040 34 T HA 0.050 4.400 4.350 -0.000 0.000 0.250 34 T C 0.496 175.200 174.700 0.008 0.000 1.058 34 T CA -0.517 61.586 62.100 0.005 0.000 0.988 34 T CB 0.405 69.288 68.868 0.025 0.000 0.993 34 T HN -0.241 nan 8.240 nan 0.000 0.519 35 D N 1.712 122.113 120.400 0.002 0.000 2.382 35 D HA 0.348 4.987 4.640 -0.000 0.000 0.245 35 D C -0.226 176.060 176.300 -0.024 0.000 1.120 35 D CA -0.481 53.538 54.000 0.032 0.000 0.890 35 D CB 0.705 41.535 40.800 0.049 0.000 1.201 35 D HN 0.180 nan 8.370 nan 0.000 0.433 36 I N 2.244 122.823 120.570 0.014 0.000 2.371 36 I HA 0.126 4.295 4.170 -0.000 0.000 0.290 36 I C 0.062 176.208 176.117 0.048 0.000 1.028 36 I CA -0.074 61.176 61.300 -0.083 0.000 1.345 36 I CB 0.415 38.232 38.000 -0.305 0.000 1.407 36 I HN 0.059 nan 8.210 nan 0.000 0.501 37 L N 6.155 127.270 121.223 -0.180 0.000 2.325 37 L HA 0.896 5.236 4.340 -0.000 0.000 0.278 37 L C -0.047 176.684 176.870 -0.233 0.000 1.023 37 L CA -0.786 53.925 54.840 -0.215 0.000 0.811 37 L CB 1.546 43.240 42.059 -0.608 0.000 1.249 37 L HN 0.658 nan 8.230 nan 0.000 0.431 38 A N 1.911 124.790 122.820 0.099 0.000 2.374 38 A HA 0.847 5.167 4.320 -0.000 0.000 0.305 38 A C -0.731 176.888 177.584 0.058 0.000 1.053 38 A CA -0.524 51.530 52.037 0.028 0.000 0.726 38 A CB 1.702 20.691 19.000 -0.019 0.000 1.229 38 A HN 0.747 nan 8.150 nan 0.000 0.431 39 A N 2.059 124.802 122.820 -0.128 0.000 2.256 39 A HA 0.716 5.036 4.320 -0.000 0.000 0.317 39 A C -1.130 176.100 177.584 -0.591 0.000 1.318 39 A CA -0.255 51.491 52.037 -0.485 0.000 0.894 39 A CB -0.269 18.283 19.000 -0.746 0.000 1.165 39 A HN 0.622 nan 8.150 nan 0.000 0.525 40 F N 1.641 121.398 119.950 -0.320 0.000 2.415 40 F HA 0.445 4.971 4.527 -0.000 0.000 0.348 40 F C 0.968 176.631 175.800 -0.229 0.000 1.119 40 F CA -0.301 57.551 58.000 -0.246 0.000 1.069 40 F CB 1.541 40.407 39.000 -0.224 0.000 1.124 40 F HN 0.598 nan 8.300 nan 0.000 0.472 41 R N 5.484 125.983 120.500 -0.001 0.000 2.210 41 R HA 0.440 4.780 4.340 -0.000 0.000 0.338 41 R C -0.948 175.375 176.300 0.039 0.000 1.062 41 R CA -0.261 55.846 56.100 0.012 0.000 0.902 41 R CB 0.515 30.821 30.300 0.009 0.000 1.050 41 R HN 0.847 nan 8.270 nan 0.000 0.461 42 M N 3.617 123.248 119.600 0.052 0.000 2.311 42 M HA 0.304 4.784 4.480 -0.000 0.000 0.325 42 M C -1.218 175.139 176.300 0.095 0.000 1.061 42 M CA -0.291 55.028 55.300 0.032 0.000 0.957 42 M CB 2.274 34.877 32.600 0.006 0.000 1.646 42 M HN 0.449 nan 8.290 nan 0.000 0.434 43 T N 6.025 120.620 114.554 0.069 0.000 2.977 43 T HA 0.460 4.810 4.350 -0.000 0.000 0.346 43 T C -2.662 172.082 174.700 0.075 0.000 1.140 43 T CA -1.112 61.041 62.100 0.088 0.000 1.040 43 T CB 0.819 69.728 68.868 0.069 0.000 1.046 43 T HN 0.416 nan 8.240 nan 0.000 0.494 44 P HA 0.164 nan 4.420 nan 0.000 0.274 44 P C 0.081 177.411 177.300 0.051 0.000 1.231 44 P CA -0.625 62.505 63.100 0.050 0.000 0.790 44 P CB 0.566 32.288 31.700 0.038 0.000 0.951 45 Q N 2.484 122.305 119.800 0.035 0.000 2.432 45 Q HA 0.122 4.462 4.340 -0.000 0.000 0.264 45 Q C -1.897 174.123 176.000 0.033 0.000 1.035 45 Q CA -1.235 54.588 55.803 0.033 0.000 0.908 45 Q CB -0.587 28.169 28.738 0.030 0.000 1.280 45 Q HN 0.365 nan 8.270 nan 0.000 0.455 46 P HA -0.038 nan 4.420 nan 0.000 0.264 46 P C 0.487 177.800 177.300 0.022 0.000 1.193 46 P CA 0.826 63.943 63.100 0.029 0.000 0.763 46 P CB 0.352 32.067 31.700 0.024 0.000 0.810 47 G N 1.534 110.346 108.800 0.020 0.000 2.175 47 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.244 47 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.244 47 G C -0.164 174.741 174.900 0.008 0.000 0.982 47 G CA -0.152 44.956 45.100 0.014 0.000 0.641 47 G HN 0.536 nan 8.290 nan 0.000 0.527 48 V N 2.303 122.220 119.914 0.004 0.000 2.328 48 V HA 0.471 4.590 4.120 -0.000 0.000 0.278 48 V C -1.669 174.394 176.094 -0.052 0.000 1.021 48 V CA -1.654 60.638 62.300 -0.012 0.000 0.838 48 V CB 1.535 33.357 31.823 -0.002 0.000 0.999 48 V HN 0.124 nan 8.190 nan 0.000 0.447 49 P HA 0.180 nan 4.420 nan 0.000 0.268 49 P C -2.049 175.107 177.300 -0.240 0.000 1.205 49 P CA -1.181 61.835 63.100 -0.140 0.000 0.771 49 P CB 0.243 31.869 31.700 -0.123 0.000 0.858 50 P HA -0.213 nan 4.420 nan 0.000 0.216 50 P C 1.078 178.099 177.300 -0.466 0.000 1.153 50 P CA 1.580 64.316 63.100 -0.607 0.000 0.858 50 P CB 0.044 31.115 31.700 -1.048 0.000 0.789 51 E N -0.746 119.166 120.200 -0.480 0.000 2.110 51 E HA -0.202 4.147 4.350 -0.000 0.000 0.193 51 E C 2.011 178.364 176.600 -0.411 0.000 0.988 51 E CA 1.113 57.114 56.400 -0.666 0.000 0.804 51 E CB -0.566 28.653 29.700 -0.801 0.000 0.745 51 E HN 0.276 nan 8.360 nan 0.000 0.458 52 E N -0.113 119.943 120.200 -0.241 0.000 2.112 52 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 52 E C 1.838 178.369 176.600 -0.115 0.000 0.979 52 E CA 0.798 57.143 56.400 -0.092 0.000 0.814 52 E CB -0.522 29.163 29.700 -0.025 0.000 0.762 52 E HN 0.278 nan 8.360 nan 0.000 0.460 53 C N -0.286 118.907 119.300 -0.178 0.000 2.446 53 C HA 0.078 4.538 4.460 -0.000 0.000 0.277 53 C C 2.661 177.475 174.990 -0.293 0.000 1.275 53 C CA 1.370 60.258 59.018 -0.217 0.000 1.727 53 C CB -1.352 26.275 27.740 -0.188 0.000 2.010 53 C HN 0.642 nan 8.230 nan 0.000 0.486 54 G N -0.247 108.392 108.800 -0.269 0.000 2.422 54 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.218 54 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.218 54 G C 1.916 176.686 174.900 -0.216 0.000 1.146 54 G CA 0.999 45.954 45.100 -0.241 0.000 0.769 54 G HN 0.699 nan 8.290 nan 0.000 0.547 55 A N 1.017 123.746 122.820 -0.152 0.000 1.969 55 A HA 0.368 4.688 4.320 -0.000 0.000 0.218 55 A C 2.749 180.160 177.584 -0.287 0.000 1.169 55 A CA 1.948 53.961 52.037 -0.040 0.000 0.635 55 A CB -0.571 18.512 19.000 0.138 0.000 0.810 55 A HN 0.690 nan 8.150 nan 0.000 0.445 56 A N -0.594 121.904 122.820 -0.536 0.000 1.969 56 A HA 0.059 4.378 4.320 -0.000 0.000 0.218 56 A C 2.177 179.162 177.584 -0.998 0.000 1.169 56 A CA 1.645 52.972 52.037 -1.182 0.000 0.635 56 A CB -0.684 17.703 19.000 -1.023 0.000 0.810 56 A HN 0.335 nan 8.150 nan 0.000 0.445 57 V N -0.280 119.198 119.914 -0.727 0.000 2.379 57 V HA -0.183 3.936 4.120 -0.000 0.000 0.245 57 V C 3.044 178.832 176.094 -0.510 0.000 1.044 57 V CA 1.747 63.620 62.300 -0.711 0.000 1.036 57 V CB -1.107 30.229 31.823 -0.813 0.000 0.664 57 V HN 0.592 nan 8.190 nan 0.000 0.453 58 A N 0.051 122.637 122.820 -0.389 0.000 1.902 58 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 58 A C 2.402 179.779 177.584 -0.345 0.000 1.181 58 A CA 2.201 54.085 52.037 -0.254 0.000 0.623 58 A CB -0.741 18.186 19.000 -0.122 0.000 0.818 58 A HN 0.556 nan 8.150 nan 0.000 0.443 59 A N -0.572 121.837 122.820 -0.685 0.000 1.873 59 A HA -0.097 4.222 4.320 -0.000 0.000 0.215 59 A C 1.861 179.129 177.584 -0.526 0.000 1.186 59 A CA 1.460 52.843 52.037 -1.091 0.000 0.616 59 A CB -0.365 17.850 19.000 -1.309 0.000 0.823 59 A HN 0.456 nan 8.150 nan 0.000 0.442 60 E N 0.372 120.283 120.200 -0.482 0.000 2.502 60 E HA -0.032 4.317 4.350 -0.000 0.000 0.194 60 E C 1.356 177.879 176.600 -0.128 0.000 1.062 60 E CA 0.889 57.135 56.400 -0.257 0.000 0.867 60 E CB -0.033 29.450 29.700 -0.362 0.000 0.888 60 E HN 0.701 nan 8.360 nan 0.000 0.510 61 S N -0.904 114.730 115.700 -0.110 0.000 2.568 61 S HA 0.141 4.610 4.470 -0.000 0.000 0.232 61 S C 1.330 175.996 174.600 0.110 0.000 0.975 61 S CA 0.261 58.482 58.200 0.036 0.000 0.949 61 S CB 0.332 63.607 63.200 0.126 0.000 0.829 61 S HN 0.136 nan 8.310 nan 0.000 0.479 62 S N 1.367 117.098 115.700 0.051 0.000 4.567 62 S HA 0.167 4.636 4.470 -0.000 0.000 0.167 62 S C 1.380 175.995 174.600 0.025 0.000 1.007 62 S CA 0.598 58.845 58.200 0.078 0.000 1.212 62 S CB -0.215 63.095 63.200 0.183 0.000 1.741 62 S HN 0.527 nan 8.310 nan 0.000 0.689 63 T N -0.953 113.632 114.554 0.051 0.000 2.966 63 T HA 0.472 4.822 4.350 -0.000 0.000 0.254 63 T C 0.876 175.621 174.700 0.074 0.000 0.961 63 T CA 0.442 62.586 62.100 0.074 0.000 0.915 63 T CB 0.025 68.989 68.868 0.160 0.000 1.186 63 T HN 0.729 nan 8.240 nan 0.000 0.505 64 G N 0.423 109.231 108.800 0.014 0.000 2.437 64 G HA2 0.547 4.506 3.960 -0.000 0.000 0.319 64 G HA3 0.547 4.506 3.960 -0.000 0.000 0.319 64 G C -0.712 174.241 174.900 0.089 0.000 1.158 64 G CA -0.191 44.944 45.100 0.059 0.000 0.899 64 G HN 0.287 nan 8.290 nan 0.000 0.502 65 T N -0.933 113.703 114.554 0.136 0.000 2.676 65 T HA 0.429 4.779 4.350 -0.000 0.000 0.269 65 T C 0.752 175.590 174.700 0.229 0.000 0.952 65 T CA -0.445 61.785 62.100 0.217 0.000 1.040 65 T CB 0.745 69.706 68.868 0.155 0.000 1.352 65 T HN 0.671 nan 8.240 nan 0.000 0.554 66 W N 0.570 121.963 121.300 0.156 0.000 2.770 66 W HA 0.309 4.968 4.660 -0.001 0.000 0.256 66 W C 0.354 176.851 176.519 -0.036 0.000 1.291 66 W CA 0.338 57.738 57.345 0.091 0.000 1.396 66 W CB -1.048 28.485 29.460 0.121 0.000 1.114 66 W HN 0.531 nan 8.180 nan 0.000 0.637 67 T N 1.001 115.080 114.554 -0.792 0.000 2.896 67 T HA 0.344 4.694 4.350 -0.000 0.000 0.297 67 T C -0.450 174.017 174.700 -0.389 0.000 1.108 67 T CA -0.306 61.361 62.100 -0.721 0.000 1.004 67 T CB 1.876 69.978 68.868 -1.276 0.000 1.159 67 T HN -0.215 nan 8.240 nan 0.000 0.499 68 T N 2.695 117.133 114.554 -0.194 0.000 2.888 68 T HA 0.430 4.780 4.350 -0.000 0.000 0.301 68 T C 0.247 175.009 174.700 0.103 0.000 1.001 68 T CA -0.332 61.763 62.100 -0.009 0.000 1.147 68 T CB 0.087 68.990 68.868 0.058 0.000 0.931 68 T HN 0.661 nan 8.240 nan 0.000 0.541 69 V N 3.367 123.302 119.914 0.034 0.000 2.547 69 V HA 0.479 4.599 4.120 -0.000 0.000 0.299 69 V C 1.224 177.170 176.094 -0.248 0.000 1.040 69 V CA -1.140 61.102 62.300 -0.098 0.000 0.913 69 V CB 1.254 32.936 31.823 -0.234 0.000 0.992 69 V HN 1.042 nan 8.190 nan 0.000 0.449 70 W N 2.627 123.492 121.300 -0.725 0.000 2.402 70 W HA -0.110 4.550 4.660 -0.000 0.000 0.286 70 W C 1.508 177.790 176.519 -0.394 0.000 1.221 70 W CA 1.610 58.358 57.345 -0.995 0.000 1.257 70 W CB -1.742 26.814 29.460 -1.507 0.000 1.120 70 W HN 0.753 nan 8.180 nan 0.000 0.551 71 T N -0.727 113.130 114.554 -1.162 0.000 2.929 71 T HA -0.231 4.119 4.350 -0.000 0.000 0.271 71 T C 1.107 175.560 174.700 -0.411 0.000 1.085 71 T CA 1.658 63.150 62.100 -1.014 0.000 1.125 71 T CB -0.660 67.556 68.868 -1.087 0.000 0.874 71 T HN -0.058 nan 8.240 nan 0.000 0.494 72 D N 2.018 122.258 120.400 -0.267 0.000 2.190 72 D HA -0.051 4.589 4.640 -0.000 0.000 0.200 72 D C 2.325 178.595 176.300 -0.050 0.000 0.992 72 D CA 1.417 55.351 54.000 -0.111 0.000 0.854 72 D CB -0.909 39.864 40.800 -0.045 0.000 0.936 72 D HN 0.612 nan 8.370 nan 0.000 0.462 73 G N 0.046 108.832 108.800 -0.023 0.000 2.534 73 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.217 73 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.217 73 G C 1.616 176.538 174.900 0.037 0.000 1.128 73 G CA -0.011 45.112 45.100 0.039 0.000 0.784 73 G HN 0.272 nan 8.290 nan 0.000 0.542 74 L N -0.263 120.963 121.223 0.004 0.000 2.395 74 L HA 0.141 4.480 4.340 -0.000 0.000 0.218 74 L C 1.794 178.669 176.870 0.007 0.000 1.130 74 L CA 0.528 55.375 54.840 0.012 0.000 0.826 74 L CB 0.008 42.055 42.059 -0.019 0.000 0.941 74 L HN 0.241 nan 8.230 nan 0.000 0.451 75 T N -2.465 112.090 114.554 0.002 0.000 2.718 75 T HA 0.270 4.620 4.350 -0.000 0.000 0.267 75 T C -0.366 174.384 174.700 0.084 0.000 0.957 75 T CA -0.438 61.694 62.100 0.053 0.000 1.025 75 T CB 1.911 70.792 68.868 0.022 0.000 1.355 75 T HN -0.116 nan 8.240 nan 0.000 0.572 76 S N 1.488 117.287 115.700 0.165 0.000 2.622 76 S HA 0.362 4.832 4.470 -0.000 0.000 0.283 76 S C 0.800 175.471 174.600 0.118 0.000 1.197 76 S CA -0.694 57.561 58.200 0.091 0.000 1.146 76 S CB 0.311 63.522 63.200 0.017 0.000 1.007 76 S HN 0.567 nan 8.310 nan 0.000 0.478 77 L N 4.225 125.487 121.223 0.065 0.000 2.083 77 L HA 0.007 4.347 4.340 -0.000 0.000 0.209 77 L C 1.713 178.572 176.870 -0.018 0.000 1.083 77 L CA 1.952 56.821 54.840 0.048 0.000 0.752 77 L CB -0.465 41.585 42.059 -0.016 0.000 0.899 77 L HN 0.588 nan 8.230 nan 0.000 0.433 78 D N -0.917 119.445 120.400 -0.062 0.000 2.149 78 D HA -0.240 4.400 4.640 -0.000 0.000 0.198 78 D C 2.305 178.528 176.300 -0.128 0.000 0.990 78 D CA 1.150 55.090 54.000 -0.099 0.000 0.839 78 D CB -0.112 40.639 40.800 -0.081 0.000 0.948 78 D HN 0.311 nan 8.370 nan 0.000 0.460 79 R N -0.953 119.434 120.500 -0.189 0.000 2.115 79 R HA -0.114 4.226 4.340 -0.000 0.000 0.226 79 R C 1.393 177.441 176.300 -0.419 0.000 1.100 79 R CA 1.071 56.941 56.100 -0.382 0.000 0.980 79 R CB 0.036 29.942 30.300 -0.656 0.000 0.875 79 R HN 0.234 nan 8.270 nan 0.000 0.445 80 Y N 0.388 120.671 120.300 -0.027 0.000 2.498 80 Y HA 0.148 4.697 4.550 -0.000 0.000 0.259 80 Y C 0.169 176.068 175.900 -0.001 0.000 1.086 80 Y CA -0.238 57.851 58.100 -0.018 0.000 1.287 80 Y CB 0.209 38.656 38.460 -0.023 0.000 1.146 80 Y HN -0.064 nan 8.280 nan 0.000 0.523 81 K N 1.251 121.725 120.400 0.125 0.000 2.436 81 K HA 0.316 4.636 4.320 -0.000 0.000 0.275 81 K C 0.597 177.246 176.600 0.080 0.000 0.999 81 K CA 0.110 56.488 56.287 0.152 0.000 0.980 81 K CB 0.596 33.129 32.500 0.055 0.000 0.919 81 K HN 0.134 nan 8.250 nan 0.000 0.484 82 G N 2.432 111.308 108.800 0.126 0.000 2.527 82 G HA2 0.232 4.192 3.960 -0.000 0.000 0.248 82 G HA3 0.232 4.192 3.960 -0.000 0.000 0.248 82 G C -0.798 174.078 174.900 -0.041 0.000 1.231 82 G CA -0.904 44.145 45.100 -0.084 0.000 0.838 82 G HN 0.645 nan 8.290 nan 0.000 0.570 83 R N 0.354 120.751 120.500 -0.171 0.000 2.483 83 R HA 0.278 4.617 4.340 -0.000 0.000 0.303 83 R C -1.043 175.283 176.300 0.043 0.000 0.987 83 R CA -0.629 55.410 56.100 -0.103 0.000 0.881 83 R CB 1.759 31.831 30.300 -0.380 0.000 1.177 83 R HN 0.522 nan 8.270 nan 0.000 0.451 84 C N 5.251 124.609 119.300 0.098 0.000 2.442 84 C HA 0.234 4.694 4.460 -0.000 0.000 0.362 84 C C 0.937 176.053 174.990 0.209 0.000 1.242 84 C CA -0.429 58.677 59.018 0.146 0.000 1.741 84 C CB -1.161 26.675 27.740 0.161 0.000 2.378 84 C HN 0.988 nan 8.230 nan 0.000 0.549 85 Y N 1.992 122.389 120.300 0.163 0.000 2.481 85 Y HA 0.549 5.098 4.550 -0.000 0.000 0.247 85 Y C 0.099 176.085 175.900 0.142 0.000 1.151 85 Y CA -0.533 57.637 58.100 0.117 0.000 1.238 85 Y CB 0.026 38.603 38.460 0.195 0.000 1.179 85 Y HN 0.520 nan 8.280 nan 0.000 0.524 86 D N 0.654 121.004 120.400 -0.083 0.000 2.787 86 D HA 0.412 5.052 4.640 -0.000 0.000 0.215 86 D C -1.703 174.706 176.300 0.180 0.000 1.246 86 D CA -0.323 53.691 54.000 0.022 0.000 0.798 86 D CB 1.701 42.387 40.800 -0.191 0.000 1.649 86 D HN 0.197 nan 8.370 nan 0.000 0.507 87 I N 2.162 122.857 120.570 0.208 0.000 2.447 87 I HA 0.339 4.508 4.170 -0.000 0.000 0.287 87 I C -0.207 176.040 176.117 0.217 0.000 1.023 87 I CA -0.667 60.747 61.300 0.191 0.000 1.083 87 I CB 2.105 40.138 38.000 0.054 0.000 1.245 87 I HN 0.191 nan 8.210 nan 0.000 0.434 88 E N 7.896 128.260 120.200 0.273 0.000 2.166 88 E HA 0.433 4.783 4.350 -0.000 0.000 0.275 88 E C -2.434 174.308 176.600 0.237 0.000 0.941 88 E CA -2.101 54.445 56.400 0.243 0.000 0.784 88 E CB 1.836 31.718 29.700 0.303 0.000 1.115 88 E HN 0.230 nan 8.360 nan 0.000 0.399 89 P HA 0.037 nan 4.420 nan 0.000 0.275 89 P C -0.600 176.692 177.300 -0.015 0.000 1.228 89 P CA -0.294 62.846 63.100 0.066 0.000 0.786 89 P CB 0.976 32.712 31.700 0.060 0.000 0.927 90 V N 5.285 125.127 119.914 -0.121 0.000 2.385 90 V HA 0.202 4.321 4.120 -0.000 0.000 0.269 90 V C -1.718 174.334 176.094 -0.069 0.000 1.043 90 V CA -1.727 60.530 62.300 -0.072 0.000 0.906 90 V CB 0.640 32.417 31.823 -0.076 0.000 0.995 90 V HN 0.574 nan 8.190 nan 0.000 0.467 91 P HA 0.237 nan 4.420 nan 0.000 0.271 91 P C 0.804 178.087 177.300 -0.028 0.000 1.226 91 P CA 0.826 63.909 63.100 -0.028 0.000 0.765 91 P CB 1.021 32.711 31.700 -0.017 0.000 0.835 92 G N 1.688 110.470 108.800 -0.030 0.000 2.179 92 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.220 92 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.220 92 G C -0.205 174.676 174.900 -0.032 0.000 0.990 92 G CA -0.359 44.728 45.100 -0.023 0.000 0.646 92 G HN 0.559 nan 8.290 nan 0.000 0.517 93 E N 0.346 120.512 120.200 -0.057 0.000 2.272 93 E HA 0.363 4.713 4.350 -0.000 0.000 0.269 93 E C -0.105 176.429 176.600 -0.109 0.000 0.877 93 E CA -0.716 55.638 56.400 -0.077 0.000 0.755 93 E CB 1.535 31.178 29.700 -0.096 0.000 1.192 93 E HN 0.142 nan 8.360 nan 0.000 0.422 94 D N 0.861 121.212 120.400 -0.083 0.000 2.194 94 D HA -0.087 4.553 4.640 -0.000 0.000 0.204 94 D C 0.707 176.939 176.300 -0.113 0.000 0.964 94 D CA 0.900 54.855 54.000 -0.074 0.000 0.846 94 D CB 0.421 41.203 40.800 -0.031 0.000 0.962 94 D HN 0.235 nan 8.370 nan 0.000 0.490 95 N N -0.050 118.572 118.700 -0.130 0.000 2.377 95 N HA 0.040 4.780 4.740 -0.000 0.000 0.259 95 N C -1.054 174.354 175.510 -0.170 0.000 1.332 95 N CA -0.035 52.956 53.050 -0.099 0.000 0.877 95 N CB 0.660 39.155 38.487 0.014 0.000 1.299 95 N HN -0.048 nan 8.380 nan 0.000 0.501 96 Q N 0.279 119.852 119.800 -0.377 0.000 2.337 96 Q HA 0.406 4.746 4.340 -0.000 0.000 0.266 96 Q C -1.422 174.217 176.000 -0.600 0.000 1.023 96 Q CA -0.667 54.955 55.803 -0.301 0.000 0.829 96 Q CB 1.798 30.454 28.738 -0.136 0.000 1.306 96 Q HN 0.232 nan 8.270 nan 0.000 0.449 97 Y N 1.168 121.467 120.300 -0.001 0.000 2.512 97 Y HA 0.412 4.962 4.550 -0.000 0.000 0.348 97 Y C -0.292 175.602 175.900 -0.011 0.000 0.990 97 Y CA -1.140 56.960 58.100 -0.000 0.000 1.033 97 Y CB 1.391 39.841 38.460 -0.016 0.000 1.259 97 Y HN 0.412 nan 8.280 nan 0.000 0.461 98 I N 2.875 123.530 120.570 0.142 0.000 2.301 98 I HA 0.411 4.580 4.170 -0.000 0.000 0.292 98 I C 0.200 176.308 176.117 -0.015 0.000 1.046 98 I CA -0.546 60.758 61.300 0.005 0.000 1.282 98 I CB 0.244 38.233 38.000 -0.019 0.000 1.409 98 I HN 0.691 nan 8.210 nan 0.000 0.484 99 A N 7.486 130.270 122.820 -0.060 0.000 2.290 99 A HA 0.614 4.934 4.320 -0.000 0.000 0.310 99 A C -1.153 176.358 177.584 -0.122 0.000 1.202 99 A CA -0.353 51.669 52.037 -0.025 0.000 0.837 99 A CB 0.315 19.305 19.000 -0.017 0.000 1.139 99 A HN 0.544 nan 8.150 nan 0.000 0.509 100 Y N 1.664 121.915 120.300 -0.081 0.000 2.335 100 Y HA 0.479 5.029 4.550 -0.000 0.000 0.339 100 Y C 0.106 175.872 175.900 -0.224 0.000 0.987 100 Y CA -0.339 57.648 58.100 -0.187 0.000 1.140 100 Y CB 1.837 39.941 38.460 -0.594 0.000 1.173 100 Y HN 0.406 nan 8.280 nan 0.000 0.486 101 V N 2.991 123.027 119.914 0.202 0.000 2.555 101 V HA 0.826 4.946 4.120 -0.000 0.000 0.302 101 V C -0.361 175.849 176.094 0.194 0.000 1.038 101 V CA -1.055 61.324 62.300 0.133 0.000 0.887 101 V CB 1.688 33.515 31.823 0.007 0.000 0.991 101 V HN 0.830 nan 8.190 nan 0.000 0.434 102 A N 3.926 126.805 122.820 0.098 0.000 2.303 102 A HA 0.886 5.206 4.320 -0.000 0.000 0.320 102 A C -1.343 176.123 177.584 -0.196 0.000 1.192 102 A CA -0.366 51.700 52.037 0.049 0.000 0.821 102 A CB 0.647 19.717 19.000 0.116 0.000 1.188 102 A HN 0.719 nan 8.150 nan 0.000 0.492 106 D N 1.661 122.147 120.400 0.144 0.000 2.309 106 D HA -0.027 4.612 4.640 -0.000 0.000 0.212 106 D C 2.003 178.344 176.300 0.068 0.000 0.968 106 D CA 1.172 55.257 54.000 0.142 0.000 0.882 106 D CB 0.041 40.972 40.800 0.218 0.000 0.918 106 D HN 0.432 nan 8.370 nan 0.000 0.503 107 L N -0.878 120.297 121.223 -0.081 0.000 2.395 107 L HA 0.020 4.359 4.340 -0.000 0.000 0.218 107 L C 0.109 176.607 176.870 -0.619 0.000 1.130 107 L CA 0.357 54.934 54.840 -0.439 0.000 0.826 107 L CB -0.096 41.515 42.059 -0.747 0.000 0.941 107 L HN -0.100 nan 8.230 nan 0.000 0.451 108 F N -0.378 119.534 119.950 -0.064 0.000 2.469 108 F HA 0.290 4.817 4.527 -0.001 0.000 0.332 108 F C 0.629 176.463 175.800 0.057 0.000 1.103 108 F CA -1.171 56.787 58.000 -0.071 0.000 0.979 108 F CB 1.096 39.871 39.000 -0.375 0.000 1.137 108 F HN -0.183 nan 8.300 nan 0.000 0.463 109 E N 2.238 122.594 120.200 0.261 0.000 2.351 109 E HA 0.067 4.417 4.350 -0.000 0.000 0.266 109 E C -0.645 176.101 176.600 0.242 0.000 1.031 109 E CA -0.443 56.071 56.400 0.189 0.000 0.911 109 E CB 0.484 30.251 29.700 0.112 0.000 0.986 109 E HN 0.506 nan 8.360 nan 0.000 0.446 110 E N 2.672 122.956 120.200 0.140 0.000 2.529 110 E HA 0.116 4.465 4.350 -0.000 0.000 0.259 110 E C 0.988 177.379 176.600 -0.350 0.000 0.966 110 E CA 1.398 57.774 56.400 -0.041 0.000 0.937 110 E CB 0.450 30.122 29.700 -0.046 0.000 0.923 110 E HN 0.814 nan 8.360 nan 0.000 0.468 111 G N 2.494 110.694 108.800 -1.001 0.000 2.184 111 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 111 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 111 G C 0.398 174.855 174.900 -0.738 0.000 0.975 111 G CA 0.450 44.783 45.100 -1.278 0.000 0.642 111 G HN 0.584 nan 8.290 nan 0.000 0.536 112 S N -0.214 115.287 115.700 -0.331 0.000 2.532 112 S HA 0.545 5.015 4.470 -0.000 0.000 0.318 112 S C 1.539 176.306 174.600 0.277 0.000 1.083 112 S CA 0.129 58.368 58.200 0.064 0.000 1.131 112 S CB 1.232 64.479 63.200 0.078 0.000 0.973 112 S HN 0.572 nan 8.310 nan 0.000 0.468 113 V N 4.943 125.024 119.914 0.279 0.000 2.407 113 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 113 V C 2.584 178.614 176.094 -0.106 0.000 1.055 113 V CA 2.432 64.729 62.300 -0.006 0.000 1.049 113 V CB -1.069 30.475 31.823 -0.465 0.000 0.662 113 V HN 0.842 nan 8.190 nan 0.000 0.455 114 T N 0.107 114.640 114.554 -0.034 0.000 2.665 114 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 114 T C 1.914 176.706 174.700 0.154 0.000 1.035 114 T CA 2.083 64.224 62.100 0.068 0.000 1.151 114 T CB -0.532 68.407 68.868 0.119 0.000 0.862 114 T HN 0.593 nan 8.240 nan 0.000 0.438 115 N N 0.411 119.218 118.700 0.177 0.000 2.120 115 N HA -0.095 4.645 4.740 -0.000 0.000 0.188 115 N C 2.116 177.798 175.510 0.287 0.000 1.024 115 N CA 1.211 54.384 53.050 0.205 0.000 0.852 115 N CB -0.216 38.394 38.487 0.206 0.000 1.003 115 N HN 0.403 nan 8.380 nan 0.000 0.424 116 M N -0.274 119.549 119.600 0.371 0.000 2.086 116 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 116 M C 1.549 178.009 176.300 0.267 0.000 1.067 116 M CA 1.520 57.047 55.300 0.379 0.000 1.116 116 M CB -0.176 32.584 32.600 0.267 0.000 1.348 116 M HN 0.042 nan 8.290 nan 0.000 0.407 117 F N 0.478 120.440 119.950 0.021 0.000 2.171 117 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 117 F C 2.509 178.346 175.800 0.061 0.000 1.090 117 F CA 1.852 59.863 58.000 0.018 0.000 1.293 117 F CB -1.198 37.799 39.000 -0.005 0.000 1.013 117 F HN 0.185 nan 8.300 nan 0.000 0.486 118 T N -1.290 113.413 114.554 0.249 0.000 2.788 118 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 118 T C 2.324 177.088 174.700 0.106 0.000 1.044 118 T CA 1.639 63.836 62.100 0.162 0.000 1.139 118 T CB -0.380 68.566 68.868 0.131 0.000 0.867 118 T HN 0.150 nan 8.240 nan 0.000 0.454 119 S N 0.856 116.602 115.700 0.077 0.000 2.335 119 S HA 0.099 4.568 4.470 -0.000 0.000 0.217 119 S C 2.059 176.664 174.600 0.010 0.000 1.032 119 S CA 0.797 58.998 58.200 0.001 0.000 0.985 119 S CB -0.305 62.828 63.200 -0.113 0.000 0.896 119 S HN 0.394 nan 8.310 nan 0.000 0.445 120 I N 1.465 122.021 120.570 -0.022 0.000 2.439 120 I HA -0.063 4.107 4.170 -0.000 0.000 0.251 120 I C 1.556 177.800 176.117 0.211 0.000 1.139 120 I CA 0.968 62.268 61.300 -0.001 0.000 1.438 120 I CB -0.056 37.839 38.000 -0.176 0.000 1.085 120 I HN 0.249 nan 8.210 nan 0.000 0.427 121 V N -2.967 117.033 119.914 0.144 0.000 3.159 121 V HA 0.475 4.595 4.120 -0.000 0.000 0.333 121 V C 1.556 177.778 176.094 0.213 0.000 1.424 121 V CA 0.227 62.693 62.300 0.276 0.000 1.125 121 V CB -0.387 31.434 31.823 -0.003 0.000 1.075 121 V HN 0.220 nan 8.190 nan 0.000 0.482 122 G N 1.930 110.838 108.800 0.180 0.000 2.484 122 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 122 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 122 G C 1.199 176.205 174.900 0.177 0.000 1.219 122 G CA 1.458 46.650 45.100 0.152 0.000 0.791 122 G HN 0.551 nan 8.290 nan 0.000 0.550 123 N N -0.469 118.351 118.700 0.201 0.000 2.382 123 N HA 0.004 4.743 4.740 -0.000 0.000 0.200 123 N C 2.277 177.977 175.510 0.317 0.000 1.122 123 N CA 0.899 54.091 53.050 0.237 0.000 0.870 123 N CB 0.320 38.947 38.487 0.233 0.000 1.176 123 N HN 0.285 nan 8.380 nan 0.000 0.474 124 V N -1.052 118.986 119.914 0.207 0.000 2.594 124 V HA -0.068 4.051 4.120 -0.000 0.000 0.253 124 V C 1.674 177.783 176.094 0.025 0.000 1.069 124 V CA 1.299 63.581 62.300 -0.030 0.000 1.082 124 V CB -1.198 30.399 31.823 -0.376 0.000 0.680 124 V HN -0.067 nan 8.190 nan 0.000 0.469 125 F N 2.426 122.424 119.950 0.080 0.000 2.502 125 F HA 0.288 4.815 4.527 -0.000 0.000 0.298 125 F C 2.342 178.265 175.800 0.205 0.000 1.111 125 F CA 1.142 59.218 58.000 0.128 0.000 1.445 125 F CB -0.668 38.396 39.000 0.107 0.000 1.081 125 F HN 0.336 nan 8.300 nan 0.000 0.558 126 G N -1.612 107.398 108.800 0.350 0.000 3.126 126 G HA2 0.030 3.990 3.960 -0.000 0.000 0.224 126 G HA3 0.030 3.990 3.960 -0.000 0.000 0.224 126 G C 0.105 175.101 174.900 0.159 0.000 1.142 126 G CA -0.223 45.010 45.100 0.222 0.000 0.759 126 G HN 0.023 nan 8.290 nan 0.000 0.550 127 F N 1.526 121.484 119.950 0.014 0.000 2.578 127 F HA 0.204 4.730 4.527 -0.001 0.000 0.381 127 F C 1.766 177.557 175.800 -0.015 0.000 1.069 127 F CA 0.050 58.037 58.000 -0.021 0.000 1.231 127 F CB 1.100 40.056 39.000 -0.073 0.000 1.086 127 F HN -0.037 nan 8.300 nan 0.000 0.564 128 K N 2.770 123.170 120.400 0.000 0.000 2.160 128 K HA -0.216 4.103 4.320 -0.000 0.000 0.206 128 K C 1.958 178.596 176.600 0.063 0.000 1.047 128 K CA 1.425 57.717 56.287 0.008 0.000 0.930 128 K CB -0.165 32.304 32.500 -0.052 0.000 0.720 128 K HN 0.720 nan 8.250 nan 0.000 0.450 129 A N 1.017 123.916 122.820 0.130 0.000 2.168 129 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 129 A C 0.719 178.342 177.584 0.065 0.000 1.152 129 A CA 0.542 52.645 52.037 0.109 0.000 0.716 129 A CB -0.453 18.643 19.000 0.160 0.000 0.794 129 A HN 0.238 nan 8.150 nan 0.000 0.465 130 L N -5.849 115.417 121.223 0.072 0.000 2.341 130 L HA 0.679 5.019 4.340 -0.000 0.000 0.267 130 L C 0.595 177.498 176.870 0.056 0.000 1.009 130 L CA -0.803 54.060 54.840 0.038 0.000 0.819 130 L CB 1.337 43.388 42.059 -0.013 0.000 1.323 130 L HN -0.041 nan 8.230 nan 0.000 0.425 131 R N 1.111 121.642 120.500 0.053 0.000 2.156 131 R HA 0.659 4.998 4.340 -0.000 0.000 0.207 131 R C -0.007 176.339 176.300 0.076 0.000 1.040 131 R CA 0.695 56.825 56.100 0.050 0.000 1.013 131 R CB 0.455 30.780 30.300 0.042 0.000 0.931 131 R HN 0.851 nan 8.270 nan 0.000 0.465 132 A N 0.782 123.677 122.820 0.124 0.000 2.604 132 A HA 0.615 4.934 4.320 -0.000 0.000 0.295 132 A C -2.034 175.668 177.584 0.196 0.000 1.067 132 A CA -0.605 51.593 52.037 0.268 0.000 0.683 132 A CB 1.784 20.910 19.000 0.210 0.000 1.281 132 A HN 0.047 nan 8.150 nan 0.000 0.407 133 L N 0.638 121.998 121.223 0.229 0.000 2.493 133 L HA 0.760 5.100 4.340 -0.000 0.000 0.265 133 L C -0.630 176.202 176.870 -0.063 0.000 0.954 133 L CA -0.112 54.658 54.840 -0.117 0.000 0.844 133 L CB 1.960 43.679 42.059 -0.567 0.000 1.302 133 L HN 0.825 nan 8.230 nan 0.000 0.405 134 R N 3.891 124.420 120.500 0.048 0.000 2.561 134 R HA 0.571 4.911 4.340 -0.000 0.000 0.297 134 R C -1.659 174.723 176.300 0.136 0.000 0.969 134 R CA -0.941 55.252 56.100 0.155 0.000 0.879 134 R CB 1.694 32.059 30.300 0.107 0.000 1.178 134 R HN 0.663 nan 8.270 nan 0.000 0.445 135 L N 4.609 125.945 121.223 0.190 0.000 2.325 135 L HA 0.187 4.527 4.340 -0.000 0.000 0.284 135 L C 0.775 177.553 176.870 -0.152 0.000 1.089 135 L CA 0.595 55.362 54.840 -0.122 0.000 0.836 135 L CB 0.974 42.959 42.059 -0.123 0.000 1.184 135 L HN 0.707 nan 8.230 nan 0.000 0.444 136 E N 2.244 122.246 120.200 -0.329 0.000 2.140 136 E HA 0.074 4.424 4.350 -0.000 0.000 0.191 136 E C -0.173 176.204 176.600 -0.371 0.000 0.973 136 E CA 0.557 56.716 56.400 -0.401 0.000 0.829 136 E CB 0.359 29.549 29.700 -0.850 0.000 0.781 136 E HN 0.687 nan 8.360 nan 0.000 0.466 137 D N -1.203 118.984 120.400 -0.355 0.000 2.648 137 D HA 0.380 5.020 4.640 -0.000 0.000 0.244 137 D C -1.512 174.819 176.300 0.053 0.000 1.244 137 D CA -0.454 53.489 54.000 -0.095 0.000 0.772 137 D CB 1.348 42.120 40.800 -0.047 0.000 1.379 137 D HN -0.151 nan 8.370 nan 0.000 0.428 138 L N 1.328 122.607 121.223 0.094 0.000 2.408 138 L HA 0.514 4.854 4.340 -0.000 0.000 0.268 138 L C -0.279 176.520 176.870 -0.118 0.000 0.986 138 L CA -0.904 53.902 54.840 -0.057 0.000 0.820 138 L CB 2.261 44.227 42.059 -0.155 0.000 1.303 138 L HN 0.188 nan 8.230 nan 0.000 0.411 139 R N 4.292 124.503 120.500 -0.482 0.000 2.204 139 R HA 0.387 4.727 4.340 -0.000 0.000 0.341 139 R C -1.010 175.078 176.300 -0.355 0.000 1.035 139 R CA -0.644 55.179 56.100 -0.462 0.000 0.887 139 R CB 0.528 30.381 30.300 -0.746 0.000 1.114 139 R HN 0.422 nan 8.270 nan 0.000 0.473 140 I N 7.652 128.020 120.570 -0.335 0.000 2.297 140 I HA 0.287 4.457 4.170 -0.000 0.000 0.291 140 I C -1.965 174.003 176.117 -0.248 0.000 1.033 140 I CA -2.903 58.232 61.300 -0.276 0.000 1.253 140 I CB 0.906 38.714 38.000 -0.320 0.000 1.396 140 I HN 0.259 nan 8.210 nan 0.000 0.476 141 P HA 0.230 nan 4.420 nan 0.000 0.274 141 P C -2.228 175.052 177.300 -0.034 0.000 1.231 141 P CA -1.445 61.601 63.100 -0.090 0.000 0.790 141 P CB 0.433 32.106 31.700 -0.045 0.000 0.951 142 P HA -0.227 nan 4.420 nan 0.000 0.217 142 P C 1.478 178.818 177.300 0.067 0.000 1.151 142 P CA 2.364 65.478 63.100 0.023 0.000 0.849 142 P CB -0.492 31.229 31.700 0.034 0.000 0.787 143 A N -2.354 120.511 122.820 0.076 0.000 2.015 143 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 143 A C 2.167 179.863 177.584 0.188 0.000 1.163 143 A CA 1.301 53.402 52.037 0.106 0.000 0.646 143 A CB -1.537 17.515 19.000 0.087 0.000 0.806 143 A HN 0.161 nan 8.150 nan 0.000 0.448 144 Y N -0.258 120.067 120.300 0.041 0.000 2.347 144 Y HA 0.023 4.573 4.550 -0.000 0.000 0.294 144 Y C 2.342 178.381 175.900 0.233 0.000 1.117 144 Y CA 0.846 59.006 58.100 0.100 0.000 1.184 144 Y CB -0.225 38.254 38.460 0.031 0.000 1.047 144 Y HN 0.042 nan 8.280 nan 0.000 0.546 145 V N 0.839 120.835 119.914 0.137 0.000 2.324 145 V HA -0.340 3.780 4.120 -0.000 0.000 0.250 145 V C 2.302 178.509 176.094 0.188 0.000 1.060 145 V CA 2.117 64.486 62.300 0.115 0.000 1.042 145 V CB -0.525 31.343 31.823 0.075 0.000 0.650 145 V HN 0.246 nan 8.190 nan 0.000 0.450 146 K N 0.518 120.994 120.400 0.126 0.000 2.360 146 K HA -0.118 4.201 4.320 -0.000 0.000 0.201 146 K C 2.118 178.747 176.600 0.048 0.000 1.046 146 K CA 1.673 58.015 56.287 0.091 0.000 0.945 146 K CB -0.856 31.686 32.500 0.071 0.000 0.750 146 K HN 0.773 nan 8.250 nan 0.000 0.464 147 T N -1.992 112.559 114.554 -0.005 0.000 3.118 147 T HA 0.046 4.395 4.350 -0.000 0.000 0.260 147 T C 0.557 175.049 174.700 -0.347 0.000 1.139 147 T CA -0.035 61.953 62.100 -0.187 0.000 1.085 147 T CB -0.251 68.430 68.868 -0.313 0.000 0.934 147 T HN -0.153 nan 8.240 nan 0.000 0.518 148 F N 0.541 120.404 119.950 -0.145 0.000 2.421 148 F HA 0.523 5.050 4.527 -0.001 0.000 0.337 148 F C 1.375 177.132 175.800 -0.071 0.000 1.105 148 F CA -1.330 56.597 58.000 -0.121 0.000 1.049 148 F CB 1.527 40.444 39.000 -0.138 0.000 1.139 148 F HN -0.260 nan 8.300 nan 0.000 0.479 149 V N 2.447 122.410 119.914 0.082 0.000 2.287 149 V HA -0.038 4.082 4.120 -0.000 0.000 0.248 149 V C 1.397 177.517 176.094 0.043 0.000 1.053 149 V CA 1.710 64.031 62.300 0.036 0.000 1.027 149 V CB -1.333 30.491 31.823 0.000 0.000 0.646 149 V HN 1.164 nan 8.190 nan 0.000 0.447 153 H N -0.732 118.314 119.070 -0.039 0.000 1.955 153 H HA 0.482 5.038 4.556 -0.001 0.000 0.196 153 H C 1.033 176.349 175.328 -0.019 0.000 0.891 153 H CA 1.139 57.174 56.048 -0.022 0.000 1.001 153 H CB 0.410 30.163 29.762 -0.015 0.000 1.195 153 H HN 0.283 nan 8.280 nan 0.000 0.384 154 G N 1.260 110.113 108.800 0.089 0.000 2.746 154 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.685 154 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.685 154 G C 0.822 175.766 174.900 0.073 0.000 1.350 154 G CA -0.030 45.094 45.100 0.040 0.000 0.837 154 G HN 0.212 nan 8.290 nan 0.000 0.564 155 I N 0.273 120.874 120.570 0.051 0.000 2.151 155 I HA -0.293 3.876 4.170 -0.000 0.000 0.243 155 I C 2.945 179.112 176.117 0.083 0.000 1.080 155 I CA 2.562 63.902 61.300 0.067 0.000 1.339 155 I CB -0.184 37.843 38.000 0.044 0.000 1.039 155 I HN 0.771 nan 8.210 nan 0.000 0.409 156 Q N 0.880 120.728 119.800 0.080 0.000 2.046 156 Q HA -0.176 4.163 4.340 -0.000 0.000 0.200 156 Q C 2.345 178.409 176.000 0.107 0.000 0.975 156 Q CA 2.076 57.939 55.803 0.099 0.000 0.836 156 Q CB -0.025 28.762 28.738 0.082 0.000 0.896 156 Q HN 0.389 nan 8.270 nan 0.000 0.428 157 V N 1.533 121.505 119.914 0.096 0.000 2.427 157 V HA -0.240 3.879 4.120 -0.000 0.000 0.248 157 V C 2.358 178.488 176.094 0.059 0.000 1.051 157 V CA 2.175 64.530 62.300 0.092 0.000 1.048 157 V CB -0.739 31.161 31.823 0.129 0.000 0.666 157 V HN 0.503 nan 8.190 nan 0.000 0.456 158 E N 0.439 120.680 120.200 0.069 0.000 2.031 158 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 158 E C 2.482 179.104 176.600 0.037 0.000 0.994 158 E CA 1.371 57.801 56.400 0.051 0.000 0.800 158 E CB -0.117 29.652 29.700 0.116 0.000 0.752 158 E HN 0.481 nan 8.360 nan 0.000 0.447 159 R N 0.379 120.901 120.500 0.037 0.000 2.091 159 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 159 R C 2.008 178.222 176.300 -0.144 0.000 1.136 159 R CA 1.644 57.700 56.100 -0.073 0.000 0.959 159 R CB -0.267 30.044 30.300 0.019 0.000 0.856 159 R HN 0.328 nan 8.270 nan 0.000 0.437 160 D N 0.350 120.786 120.400 0.059 0.000 2.117 160 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 160 D C 1.827 178.154 176.300 0.045 0.000 0.982 160 D CA 1.086 55.165 54.000 0.133 0.000 0.828 160 D CB -0.010 40.881 40.800 0.152 0.000 0.967 160 D HN 0.136 nan 8.370 nan 0.000 0.464 161 K N 0.329 120.732 120.400 0.005 0.000 2.097 161 K HA 0.001 4.320 4.320 -0.000 0.000 0.205 161 K C 2.232 178.820 176.600 -0.021 0.000 1.050 161 K CA 0.428 56.706 56.287 -0.015 0.000 0.938 161 K CB -0.102 32.361 32.500 -0.061 0.000 0.718 161 K HN 0.238 nan 8.250 nan 0.000 0.442 162 L N 0.434 121.630 121.223 -0.045 0.000 2.418 162 L HA 0.018 4.357 4.340 -0.000 0.000 0.218 162 L C 0.682 177.472 176.870 -0.133 0.000 1.125 162 L CA 0.088 54.891 54.840 -0.061 0.000 0.835 162 L CB -0.492 41.546 42.059 -0.034 0.000 0.953 162 L HN 0.394 nan 8.230 nan 0.000 0.454 163 N N 1.260 119.838 118.700 -0.203 0.000 2.758 163 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 163 N C -0.507 174.736 175.510 -0.445 0.000 1.076 163 N CA 0.430 53.328 53.050 -0.253 0.000 0.696 163 N CB -0.383 38.081 38.487 -0.038 0.000 0.979 163 N HN 0.365 nan 8.380 nan 0.000 0.550 164 K N 1.467 121.431 120.400 -0.726 0.000 2.450 164 K HA 0.384 4.704 4.320 -0.000 0.000 0.257 164 K C -1.479 174.736 176.600 -0.641 0.000 0.953 164 K CA -0.347 55.638 56.287 -0.504 0.000 0.844 164 K CB 1.050 33.389 32.500 -0.269 0.000 1.103 164 K HN 0.099 nan 8.250 nan 0.000 0.429 165 Y N -0.444 119.861 120.300 0.009 0.000 2.534 165 Y HA 0.440 4.990 4.550 -0.000 0.000 0.345 165 Y C 0.968 176.874 175.900 0.010 0.000 1.031 165 Y CA -0.803 57.306 58.100 0.014 0.000 1.022 165 Y CB 2.579 41.047 38.460 0.014 0.000 1.292 165 Y HN 0.765 nan 8.280 nan 0.000 0.459 166 G N 1.678 110.586 108.800 0.181 0.000 2.159 166 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.227 166 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.227 166 G C -0.226 174.716 174.900 0.069 0.000 0.986 166 G CA 0.073 45.238 45.100 0.109 0.000 0.651 166 G HN 0.890 nan 8.290 nan 0.000 0.523 167 R N -1.226 119.311 120.500 0.061 0.000 2.712 167 R HA 0.649 4.989 4.340 -0.000 0.000 0.272 167 R C 0.398 176.720 176.300 0.037 0.000 1.032 167 R CA -0.502 55.623 56.100 0.043 0.000 0.874 167 R CB 0.167 30.484 30.300 0.028 0.000 1.256 167 R HN 0.965 nan 8.270 nan 0.000 0.468 168 G N 1.305 110.128 108.800 0.039 0.000 2.554 168 G HA2 0.329 4.289 3.960 -0.000 0.000 0.238 168 G HA3 0.329 4.289 3.960 -0.000 0.000 0.238 168 G C -0.111 174.799 174.900 0.018 0.000 1.259 168 G CA -0.810 44.308 45.100 0.029 0.000 0.843 168 G HN 0.382 nan 8.290 nan 0.000 0.582 169 L N 0.289 121.522 121.223 0.017 0.000 2.418 169 L HA 0.406 4.745 4.340 -0.000 0.000 0.265 169 L C 0.263 177.165 176.870 0.054 0.000 1.143 169 L CA -0.458 54.398 54.840 0.027 0.000 0.809 169 L CB 0.952 43.081 42.059 0.117 0.000 1.124 169 L HN 0.216 nan 8.230 nan 0.000 0.456 170 L N 1.443 122.691 121.223 0.042 0.000 2.341 170 L HA 0.730 5.070 4.340 -0.000 0.000 0.278 170 L C 0.229 177.162 176.870 0.106 0.000 1.005 170 L CA -0.260 54.638 54.840 0.097 0.000 0.818 170 L CB 1.827 43.928 42.059 0.069 0.000 1.259 170 L HN 0.745 nan 8.230 nan 0.000 0.418 171 G N 0.799 109.681 108.800 0.137 0.000 2.949 171 G HA2 0.661 4.621 3.960 -0.000 0.000 0.285 171 G HA3 0.661 4.621 3.960 -0.000 0.000 0.285 171 G C -1.660 173.275 174.900 0.059 0.000 1.395 171 G CA -0.453 44.697 45.100 0.082 0.000 0.901 171 G HN 0.434 nan 8.290 nan 0.000 0.519 172 S N -1.370 114.313 115.700 -0.029 0.000 2.563 172 S HA 0.561 5.030 4.470 -0.000 0.000 0.279 172 S C -0.897 173.666 174.600 -0.061 0.000 1.155 172 S CA -0.507 57.691 58.200 -0.003 0.000 0.928 172 S CB 1.302 64.519 63.200 0.029 0.000 1.107 172 S HN 0.743 nan 8.310 nan 0.000 0.462 173 T N 5.545 120.087 114.554 -0.019 0.000 2.780 173 T HA 0.388 4.738 4.350 -0.000 0.000 0.294 173 T C 0.443 175.140 174.700 -0.004 0.000 0.949 173 T CA -0.519 61.578 62.100 -0.005 0.000 1.074 173 T CB 0.120 69.016 68.868 0.047 0.000 0.910 173 T HN 0.539 nan 8.240 nan 0.000 0.501 174 I N 4.081 124.632 120.570 -0.032 0.000 2.710 174 I HA 0.151 4.320 4.170 -0.000 0.000 0.286 174 I C 0.688 176.774 176.117 -0.050 0.000 1.181 174 I CA 0.245 61.463 61.300 -0.137 0.000 1.430 174 I CB -0.213 37.469 38.000 -0.530 0.000 1.367 174 I HN 0.433 nan 8.210 nan 0.000 0.577 175 K N 6.907 127.281 120.400 -0.044 0.000 2.385 175 K HA 0.569 4.889 4.320 -0.000 0.000 0.248 175 K C -2.380 174.218 176.600 -0.003 0.000 0.955 175 K CA -1.699 54.593 56.287 0.009 0.000 0.816 175 K CB 1.592 34.110 32.500 0.031 0.000 1.250 175 K HN 0.285 nan 8.250 nan 0.000 0.434 176 P HA 0.143 nan 4.420 nan 0.000 0.270 176 P C 0.292 177.618 177.300 0.044 0.000 1.223 176 P CA -0.157 62.953 63.100 0.017 0.000 0.785 176 P CB 0.888 32.581 31.700 -0.012 0.000 0.923 177 K N 0.237 120.663 120.400 0.044 0.000 2.020 177 K HA -0.084 4.236 4.320 -0.000 0.000 0.212 177 K C 0.735 177.395 176.600 0.100 0.000 1.050 177 K CA 1.304 57.638 56.287 0.079 0.000 0.929 177 K CB -0.285 32.245 32.500 0.050 0.000 0.714 177 K HN 0.400 nan 8.250 nan 0.000 0.443 178 L N -2.026 119.184 121.223 -0.022 0.000 2.354 178 L HA 0.427 4.766 4.340 -0.000 0.000 0.264 178 L C 0.680 177.215 176.870 -0.559 0.000 1.008 178 L CA -0.355 54.346 54.840 -0.231 0.000 0.819 178 L CB 2.281 44.249 42.059 -0.151 0.000 1.339 178 L HN 0.458 nan 8.230 nan 0.000 0.420 179 G N 1.320 109.327 108.800 -1.320 0.000 2.231 179 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.206 179 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.206 179 G C -0.180 174.519 174.900 -0.335 0.000 0.996 179 G CA -0.618 43.950 45.100 -0.887 0.000 0.645 179 G HN 0.319 nan 8.290 nan 0.000 0.498 180 L N 2.583 123.755 121.223 -0.085 0.000 2.371 180 L HA 0.543 4.883 4.340 -0.000 0.000 0.272 180 L C 1.512 178.560 176.870 0.297 0.000 1.124 180 L CA -0.012 54.916 54.840 0.147 0.000 0.816 180 L CB 1.420 43.630 42.059 0.252 0.000 1.129 180 L HN 0.467 nan 8.230 nan 0.000 0.448 181 S N 1.880 117.703 115.700 0.205 0.000 2.600 181 S HA 0.258 4.728 4.470 -0.000 0.000 0.265 181 S C 1.126 175.824 174.600 0.164 0.000 1.325 181 S CA -0.135 58.172 58.200 0.179 0.000 1.002 181 S CB 1.534 64.781 63.200 0.078 0.000 0.921 181 S HN 0.711 nan 8.310 nan 0.000 0.554 182 A N 1.684 124.577 122.820 0.122 0.000 1.917 182 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 182 A C 2.127 179.671 177.584 -0.067 0.000 1.182 182 A CA 2.215 54.342 52.037 0.149 0.000 0.633 182 A CB -1.122 18.060 19.000 0.304 0.000 0.819 182 A HN 0.947 nan 8.150 nan 0.000 0.448 183 K N 0.106 120.222 120.400 -0.475 0.000 2.026 183 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 183 K C 1.689 178.102 176.600 -0.312 0.000 1.048 183 K CA 1.857 57.622 56.287 -0.870 0.000 0.929 183 K CB -0.290 31.746 32.500 -0.774 0.000 0.713 183 K HN 0.426 nan 8.250 nan 0.000 0.439 184 N N -0.443 118.186 118.700 -0.118 0.000 2.244 184 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 184 N C 1.531 177.063 175.510 0.037 0.000 1.016 184 N CA 1.002 54.039 53.050 -0.021 0.000 0.866 184 N CB -0.342 38.153 38.487 0.014 0.000 0.980 184 N HN 0.255 nan 8.380 nan 0.000 0.430 185 Y N 1.265 121.555 120.300 -0.016 0.000 2.114 185 Y HA -0.137 4.413 4.550 -0.000 0.000 0.284 185 Y C 2.468 178.373 175.900 0.008 0.000 1.143 185 Y CA 1.942 60.059 58.100 0.028 0.000 1.135 185 Y CB -0.659 37.846 38.460 0.075 0.000 0.980 185 Y HN 0.074 nan 8.280 nan 0.000 0.499 186 G N -0.618 108.276 108.800 0.156 0.000 2.422 186 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.218 186 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.218 186 G C 1.726 176.677 174.900 0.086 0.000 1.146 186 G CA 0.844 46.011 45.100 0.113 0.000 0.769 186 G HN 0.352 nan 8.290 nan 0.000 0.547 187 R N 0.626 121.151 120.500 0.042 0.000 2.080 187 R HA -0.058 4.282 4.340 -0.000 0.000 0.236 187 R C 2.825 179.171 176.300 0.077 0.000 1.137 187 R CA 1.820 57.966 56.100 0.077 0.000 0.943 187 R CB -0.521 29.791 30.300 0.020 0.000 0.846 187 R HN 0.254 nan 8.270 nan 0.000 0.431 188 A N 0.284 123.102 122.820 -0.003 0.000 1.908 188 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 188 A C 2.327 179.885 177.584 -0.044 0.000 1.181 188 A CA 1.770 53.777 52.037 -0.050 0.000 0.627 188 A CB -0.627 18.291 19.000 -0.136 0.000 0.818 188 A HN 0.264 nan 8.150 nan 0.000 0.445 189 V N -1.194 118.702 119.914 -0.030 0.000 2.261 189 V HA -0.289 3.830 4.120 -0.000 0.000 0.246 189 V C 2.393 178.520 176.094 0.056 0.000 1.047 189 V CA 2.174 64.484 62.300 0.015 0.000 1.015 189 V CB -1.102 30.720 31.823 -0.002 0.000 0.642 189 V HN 0.746 nan 8.190 nan 0.000 0.446 190 Y N 1.525 121.819 120.300 -0.010 0.000 2.114 190 Y HA -0.240 4.310 4.550 0.000 0.000 0.282 190 Y C 2.538 178.437 175.900 -0.002 0.000 1.165 190 Y CA 2.039 60.140 58.100 0.001 0.000 1.148 190 Y CB -0.314 38.154 38.460 0.013 0.000 0.972 190 Y HN 0.296 nan 8.280 nan 0.000 0.504 191 E N -0.484 119.517 120.200 -0.332 0.000 2.106 191 E HA -0.181 4.168 4.350 -0.000 0.000 0.192 191 E C 2.481 178.931 176.600 -0.250 0.000 0.984 191 E CA 1.279 57.441 56.400 -0.396 0.000 0.806 191 E CB -0.844 28.754 29.700 -0.170 0.000 0.750 191 E HN 0.553 nan 8.360 nan 0.000 0.458 192 C N 0.966 120.181 119.300 -0.142 0.000 2.442 192 C HA -0.100 4.360 4.460 -0.000 0.000 0.279 192 C C 2.896 177.824 174.990 -0.104 0.000 1.237 192 C CA 0.443 59.405 59.018 -0.094 0.000 1.722 192 C CB -1.233 26.480 27.740 -0.045 0.000 2.056 192 C HN 0.363 nan 8.230 nan 0.000 0.469 193 L N 1.286 122.457 121.223 -0.088 0.000 2.042 193 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 193 L C 2.904 179.715 176.870 -0.099 0.000 1.076 193 L CA 2.121 56.920 54.840 -0.069 0.000 0.749 193 L CB -0.814 41.238 42.059 -0.012 0.000 0.893 193 L HN 0.501 nan 8.230 nan 0.000 0.432 194 R N 0.482 120.875 120.500 -0.179 0.000 2.193 194 R HA -0.080 4.260 4.340 -0.000 0.000 0.229 194 R C 1.879 178.097 176.300 -0.136 0.000 1.110 194 R CA 1.338 57.332 56.100 -0.177 0.000 0.988 194 R CB -0.652 29.426 30.300 -0.371 0.000 0.871 194 R HN 0.288 nan 8.270 nan 0.000 0.458 195 G N -0.820 107.897 108.800 -0.139 0.000 2.939 195 G HA2 0.272 4.232 3.960 -0.000 0.000 0.210 195 G HA3 0.272 4.232 3.960 -0.000 0.000 0.210 195 G C 0.872 175.723 174.900 -0.082 0.000 1.160 195 G CA 0.247 45.282 45.100 -0.109 0.000 0.770 195 G HN 0.571 nan 8.290 nan 0.000 0.543 196 G N -0.719 108.035 108.800 -0.077 0.000 2.370 196 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.174 196 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.174 196 G C 0.242 175.100 174.900 -0.070 0.000 1.002 196 G CA -0.432 44.629 45.100 -0.064 0.000 0.730 196 G HN 0.287 nan 8.290 nan 0.000 0.497 197 L N 1.395 122.575 121.223 -0.073 0.000 2.417 197 L HA 0.362 4.702 4.340 -0.000 0.000 0.268 197 L C 0.979 177.773 176.870 -0.127 0.000 1.158 197 L CA -0.657 54.141 54.840 -0.070 0.000 0.819 197 L CB 0.668 42.704 42.059 -0.039 0.000 1.112 197 L HN 0.002 nan 8.230 nan 0.000 0.458 198 D N 1.367 121.643 120.400 -0.208 0.000 2.183 198 D HA 0.043 4.682 4.640 -0.000 0.000 0.205 198 D C -0.151 175.815 176.300 -0.556 0.000 0.962 198 D CA 1.512 55.232 54.000 -0.466 0.000 0.849 198 D CB 0.333 40.710 40.800 -0.705 0.000 0.978 198 D HN 0.135 nan 8.370 nan 0.000 0.488 199 F N -0.160 119.745 119.950 -0.075 0.000 2.599 199 F HA 0.310 4.837 4.527 -0.001 0.000 0.311 199 F C 0.570 176.204 175.800 -0.276 0.000 1.076 199 F CA -1.051 56.832 58.000 -0.195 0.000 0.937 199 F CB 1.799 40.627 39.000 -0.286 0.000 1.282 199 F HN -0.337 nan 8.300 nan 0.000 0.460 203 D N 1.289 121.817 120.400 0.214 0.000 2.400 203 D HA -0.034 4.606 4.640 -0.000 0.000 0.238 203 D C 1.587 177.874 176.300 -0.023 0.000 1.157 203 D CA 0.097 54.150 54.000 0.088 0.000 0.889 203 D CB 1.048 41.917 40.800 0.114 0.000 1.199 203 D HN 0.424 nan 8.370 nan 0.000 0.436 204 E N 2.664 122.726 120.200 -0.231 0.000 2.187 204 E HA -0.286 4.063 4.350 -0.000 0.000 0.199 204 E C 0.714 177.204 176.600 -0.183 0.000 1.004 204 E CA 1.417 57.564 56.400 -0.422 0.000 0.813 204 E CB -0.363 28.735 29.700 -1.003 0.000 0.736 204 E HN 0.526 nan 8.360 nan 0.000 0.468 205 N N 0.843 119.492 118.700 -0.085 0.000 2.280 205 N HA 0.009 4.749 4.740 -0.000 0.000 0.192 205 N C 0.096 175.637 175.510 0.053 0.000 1.109 205 N CA -0.062 52.977 53.050 -0.018 0.000 0.855 205 N CB 0.096 38.583 38.487 0.000 0.000 0.974 205 N HN -0.043 nan 8.380 nan 0.000 0.482 206 V N 2.077 122.040 119.914 0.081 0.000 2.397 206 V HA 0.136 4.256 4.120 -0.000 0.000 0.262 206 V C 0.301 176.432 176.094 0.063 0.000 1.047 206 V CA 0.024 62.390 62.300 0.110 0.000 1.003 206 V CB -0.616 31.284 31.823 0.128 0.000 1.037 206 V HN 0.328 nan 8.190 nan 0.000 0.480 207 N N 2.655 121.375 118.700 0.032 0.000 3.153 207 N HA 0.237 4.976 4.740 -0.000 0.000 0.177 207 N C -0.205 175.323 175.510 0.030 0.000 1.389 207 N CA -0.345 52.720 53.050 0.025 0.000 1.117 207 N CB 0.590 39.068 38.487 -0.014 0.000 1.201 207 N HN 0.500 nan 8.380 nan 0.000 0.503 208 S N 0.263 115.953 115.700 -0.018 0.000 2.736 208 S HA 0.451 4.921 4.470 -0.000 0.000 0.285 208 S C -1.829 172.683 174.600 -0.147 0.000 1.163 208 S CA -0.395 57.794 58.200 -0.018 0.000 1.025 208 S CB 1.171 64.472 63.200 0.167 0.000 1.030 208 S HN 0.243 nan 8.310 nan 0.000 0.486 209 Q N 3.385 122.978 119.800 -0.344 0.000 2.456 209 Q HA 0.477 4.817 4.340 -0.000 0.000 0.283 209 Q C -2.076 173.648 176.000 -0.459 0.000 1.084 209 Q CA -1.841 53.679 55.803 -0.470 0.000 0.801 209 Q CB 1.788 30.023 28.738 -0.838 0.000 1.434 209 Q HN 0.254 nan 8.270 nan 0.000 0.419 210 P HA -0.216 nan 4.420 nan 0.000 0.217 210 P C 0.573 177.824 177.300 -0.081 0.000 1.151 210 P CA 1.503 64.540 63.100 -0.106 0.000 0.849 210 P CB 0.033 31.739 31.700 0.011 0.000 0.787 211 F N -2.727 117.234 119.950 0.018 0.000 2.558 211 F HA 0.283 4.809 4.527 -0.000 0.000 0.298 211 F C 0.943 176.756 175.800 0.022 0.000 1.119 211 F CA 0.122 58.135 58.000 0.022 0.000 1.451 211 F CB -0.528 38.490 39.000 0.030 0.000 1.091 211 F HN -0.176 nan 8.300 nan 0.000 0.563 212 M N 1.395 120.762 119.600 -0.387 0.000 2.355 212 M HA 0.323 4.803 4.480 -0.000 0.000 0.232 212 M C -1.464 174.681 176.300 -0.257 0.000 0.988 212 M CA -0.521 54.664 55.300 -0.191 0.000 0.931 212 M CB 0.985 33.571 32.600 -0.023 0.000 2.294 212 M HN -0.197 nan 8.290 nan 0.000 0.459 213 R N 3.837 124.243 120.500 -0.156 0.000 2.490 213 R HA 0.246 4.586 4.340 -0.000 0.000 0.278 213 R C 1.090 177.296 176.300 -0.156 0.000 1.069 213 R CA -0.194 55.806 56.100 -0.165 0.000 1.080 213 R CB 0.529 30.706 30.300 -0.205 0.000 1.030 213 R HN 0.945 nan 8.270 nan 0.000 0.491 214 W N 4.068 125.255 121.300 -0.188 0.000 2.342 214 W HA -0.156 4.503 4.660 -0.000 0.000 0.297 214 W C 1.080 177.409 176.519 -0.316 0.000 1.213 214 W CA 0.733 57.936 57.345 -0.237 0.000 1.251 214 W CB -0.438 28.798 29.460 -0.374 0.000 1.136 214 W HN 0.548 nan 8.180 nan 0.000 0.526 215 R N 0.938 120.697 120.500 -1.235 0.000 2.115 215 R HA -0.111 4.229 4.340 -0.000 0.000 0.226 215 R C 1.816 177.854 176.300 -0.438 0.000 1.100 215 R CA 1.722 57.117 56.100 -1.176 0.000 0.980 215 R CB -0.292 29.091 30.300 -1.529 0.000 0.875 215 R HN -0.045 nan 8.270 nan 0.000 0.445 216 D N 0.168 120.381 120.400 -0.312 0.000 2.104 216 D HA -0.209 4.431 4.640 -0.000 0.000 0.194 216 D C 1.836 178.203 176.300 0.111 0.000 0.994 216 D CA 1.134 55.078 54.000 -0.094 0.000 0.830 216 D CB -0.219 40.590 40.800 0.015 0.000 0.959 216 D HN 0.211 nan 8.370 nan 0.000 0.452 217 R N -0.264 120.331 120.500 0.158 0.000 2.080 217 R HA -0.174 4.166 4.340 -0.000 0.000 0.236 217 R C 2.321 178.821 176.300 0.334 0.000 1.137 217 R CA 1.267 57.524 56.100 0.262 0.000 0.943 217 R CB -0.423 29.989 30.300 0.187 0.000 0.846 217 R HN 0.038 nan 8.270 nan 0.000 0.431 218 F N 0.723 120.709 119.950 0.060 0.000 2.091 218 F HA -0.213 4.314 4.527 -0.001 0.000 0.299 218 F C 2.177 177.990 175.800 0.020 0.000 1.103 218 F CA 1.109 59.158 58.000 0.082 0.000 1.228 218 F CB -0.850 38.248 39.000 0.164 0.000 0.984 218 F HN 0.073 nan 8.300 nan 0.000 0.477 219 L N -1.519 119.782 121.223 0.131 0.000 2.027 219 L HA -0.192 4.148 4.340 -0.000 0.000 0.206 219 L C 2.314 179.142 176.870 -0.070 0.000 1.074 219 L CA 1.547 56.359 54.840 -0.047 0.000 0.745 219 L CB -0.940 40.972 42.059 -0.246 0.000 0.898 219 L HN -0.046 nan 8.230 nan 0.000 0.433 220 F N -1.507 118.477 119.950 0.057 0.000 2.146 220 F HA -0.175 4.353 4.527 0.000 0.000 0.298 220 F C 2.405 178.218 175.800 0.021 0.000 1.096 220 F CA 1.098 59.123 58.000 0.042 0.000 1.275 220 F CB -1.025 38.007 39.000 0.053 0.000 1.008 220 F HN -0.190 nan 8.300 nan 0.000 0.480 221 V N -0.168 119.851 119.914 0.174 0.000 2.343 221 V HA -0.302 3.817 4.120 -0.000 0.000 0.247 221 V C 2.569 178.638 176.094 -0.042 0.000 1.051 221 V CA 1.710 64.007 62.300 -0.005 0.000 1.036 221 V CB -1.303 30.405 31.823 -0.192 0.000 0.654 221 V HN 0.351 nan 8.190 nan 0.000 0.451 222 A N -0.582 122.226 122.820 -0.021 0.000 1.902 222 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 222 A C 2.287 179.855 177.584 -0.026 0.000 1.181 222 A CA 2.012 53.994 52.037 -0.091 0.000 0.623 222 A CB -0.542 18.485 19.000 0.045 0.000 0.818 222 A HN 0.611 nan 8.150 nan 0.000 0.443 223 E N -0.167 120.088 120.200 0.093 0.000 2.058 223 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 223 E C 2.173 178.827 176.600 0.090 0.000 0.997 223 E CA 1.198 57.678 56.400 0.133 0.000 0.801 223 E CB -0.250 29.526 29.700 0.126 0.000 0.746 223 E HN 0.552 nan 8.360 nan 0.000 0.450 224 A N 0.949 123.812 122.820 0.073 0.000 1.902 224 A HA -0.152 4.167 4.320 -0.000 0.000 0.217 224 A C 2.162 179.804 177.584 0.097 0.000 1.181 224 A CA 1.239 53.337 52.037 0.102 0.000 0.623 224 A CB -0.596 18.483 19.000 0.131 0.000 0.818 224 A HN 0.312 nan 8.150 nan 0.000 0.443 225 I N -1.696 118.856 120.570 -0.030 0.000 2.163 225 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 225 I C 2.366 178.452 176.117 -0.052 0.000 1.085 225 I CA 1.567 62.803 61.300 -0.107 0.000 1.347 225 I CB -0.430 37.378 38.000 -0.320 0.000 1.044 225 I HN 0.393 nan 8.210 nan 0.000 0.408 226 Y N 0.642 120.986 120.300 0.073 0.000 2.263 226 Y HA -0.180 4.370 4.550 0.000 0.000 0.292 226 Y C 2.528 178.460 175.900 0.053 0.000 1.130 226 Y CA 1.018 59.151 58.100 0.054 0.000 1.179 226 Y CB -0.686 37.796 38.460 0.037 0.000 0.998 226 Y HN 0.087 nan 8.280 nan 0.000 0.532 227 K N 0.296 120.805 120.400 0.182 0.000 2.002 227 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 227 K C 2.326 179.055 176.600 0.214 0.000 1.048 227 K CA 1.296 57.649 56.287 0.110 0.000 0.930 227 K CB -0.305 32.133 32.500 -0.103 0.000 0.714 227 K HN 0.215 nan 8.250 nan 0.000 0.438 228 A N 1.044 124.039 122.820 0.292 0.000 1.933 228 A HA -0.244 4.075 4.320 -0.000 0.000 0.218 228 A C 2.097 179.760 177.584 0.131 0.000 1.175 228 A CA 1.764 53.944 52.037 0.238 0.000 0.628 228 A CB -0.644 18.457 19.000 0.167 0.000 0.814 228 A HN 0.588 nan 8.150 nan 0.000 0.444 229 Q N -0.586 119.288 119.800 0.124 0.000 2.050 229 Q HA -0.110 4.229 4.340 -0.000 0.000 0.202 229 Q C 2.174 178.233 176.000 0.099 0.000 0.980 229 Q CA 1.634 57.498 55.803 0.102 0.000 0.840 229 Q CB -0.350 28.471 28.738 0.138 0.000 0.898 229 Q HN 0.599 nan 8.270 nan 0.000 0.424 230 A N 0.610 123.500 122.820 0.116 0.000 1.930 230 A HA -0.228 4.091 4.320 -0.000 0.000 0.217 230 A C 1.877 179.507 177.584 0.077 0.000 1.175 230 A CA 1.618 53.706 52.037 0.086 0.000 0.627 230 A CB -0.611 18.437 19.000 0.079 0.000 0.815 230 A HN 0.620 nan 8.150 nan 0.000 0.443 231 E N -0.439 119.821 120.200 0.100 0.000 2.072 231 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 231 E C 2.034 178.671 176.600 0.061 0.000 0.982 231 E CA 1.750 58.206 56.400 0.093 0.000 0.803 231 E CB -0.064 29.727 29.700 0.151 0.000 0.755 231 E HN 0.729 nan 8.360 nan 0.000 0.453 232 T N -3.840 110.745 114.554 0.052 0.000 3.044 232 T HA 0.215 4.565 4.350 -0.000 0.000 0.255 232 T C 1.587 176.301 174.700 0.023 0.000 1.073 232 T CA 0.705 62.821 62.100 0.027 0.000 1.125 232 T CB 0.389 69.262 68.868 0.008 0.000 0.908 232 T HN 0.330 nan 8.240 nan 0.000 0.480 233 G N 1.208 110.027 108.800 0.031 0.000 2.162 233 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 233 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 233 G C -0.231 174.679 174.900 0.016 0.000 0.976 233 G CA 0.299 45.415 45.100 0.026 0.000 0.655 233 G HN 0.681 nan 8.290 nan 0.000 0.533 234 E N -0.459 119.744 120.200 0.006 0.000 2.207 234 E HA 0.533 4.883 4.350 -0.000 0.000 0.270 234 E C 0.261 176.850 176.600 -0.017 0.000 0.927 234 E CA -1.046 55.345 56.400 -0.016 0.000 0.799 234 E CB 2.447 32.123 29.700 -0.041 0.000 1.172 234 E HN 0.064 nan 8.360 nan 0.000 0.404 235 V N 3.652 123.547 119.914 -0.031 0.000 2.599 235 V HA 0.003 4.122 4.120 -0.000 0.000 0.300 235 V C 0.267 176.319 176.094 -0.070 0.000 1.034 235 V CA 0.436 62.722 62.300 -0.023 0.000 1.115 235 V CB 0.105 31.915 31.823 -0.022 0.000 0.934 235 V HN 0.518 nan 8.190 nan 0.000 0.485 236 K N 2.958 123.342 120.400 -0.027 0.000 2.340 236 K HA 0.847 5.166 4.320 -0.000 0.000 0.244 236 K C 0.021 176.644 176.600 0.039 0.000 0.973 236 K CA -0.412 55.848 56.287 -0.046 0.000 0.828 236 K CB 2.435 34.926 32.500 -0.015 0.000 1.226 236 K HN 0.855 nan 8.250 nan 0.000 0.437 237 G N 0.031 108.913 108.800 0.138 0.000 2.649 237 G HA2 0.390 4.350 3.960 -0.000 0.000 0.290 237 G HA3 0.390 4.350 3.960 -0.000 0.000 0.290 237 G C -1.950 173.133 174.900 0.304 0.000 1.426 237 G CA -0.284 44.981 45.100 0.275 0.000 0.794 237 G HN 0.553 nan 8.290 nan 0.000 0.483 238 H N -0.005 119.121 119.070 0.093 0.000 3.017 238 H HA 0.320 4.876 4.556 -0.000 0.000 0.340 238 H C -1.235 174.094 175.328 0.002 0.000 1.014 238 H CA -0.584 55.449 56.048 -0.025 0.000 1.341 238 H CB 1.359 31.103 29.762 -0.029 0.000 1.739 238 H HN 0.366 nan 8.280 nan 0.000 0.506 239 Y N 5.583 125.616 120.300 -0.445 0.000 2.680 239 Y HA 0.115 4.664 4.550 -0.001 0.000 0.356 239 Y C 0.692 176.485 175.900 -0.178 0.000 1.122 239 Y CA -0.550 57.361 58.100 -0.315 0.000 1.509 239 Y CB -0.604 37.616 38.460 -0.400 0.000 1.245 239 Y HN 0.321 nan 8.280 nan 0.000 0.513 240 L N 3.727 124.977 121.223 0.045 0.000 2.313 240 L HA 0.165 4.504 4.340 -0.000 0.000 0.282 240 L C 0.661 177.532 176.870 0.002 0.000 1.092 240 L CA 0.001 54.766 54.840 -0.124 0.000 0.831 240 L CB 0.338 41.931 42.059 -0.775 0.000 1.159 240 L HN 0.596 nan 8.230 nan 0.000 0.442 241 N N 1.946 120.732 118.700 0.144 0.000 2.431 241 N HA 0.164 4.904 4.740 -0.000 0.000 0.265 241 N C 0.637 176.284 175.510 0.228 0.000 1.184 241 N CA -0.066 53.088 53.050 0.174 0.000 0.943 241 N CB 1.037 39.609 38.487 0.143 0.000 1.080 241 N HN 0.777 nan 8.380 nan 0.000 0.477 242 A N 2.677 125.592 122.820 0.158 0.000 2.238 242 A HA 0.064 4.384 4.320 -0.000 0.000 0.210 242 A C 0.710 178.317 177.584 0.038 0.000 1.179 242 A CA 0.008 52.085 52.037 0.066 0.000 0.827 242 A CB 0.024 19.037 19.000 0.021 0.000 0.856 242 A HN 0.594 nan 8.150 nan 0.000 0.488 243 T N 1.826 116.456 114.554 0.128 0.000 2.891 243 T HA 0.404 4.754 4.350 -0.000 0.000 0.296 243 T C 0.222 174.913 174.700 -0.015 0.000 1.025 243 T CA 0.957 63.119 62.100 0.102 0.000 1.149 243 T CB 0.450 69.309 68.868 -0.015 0.000 1.007 243 T HN 0.748 nan 8.240 nan 0.000 0.528 244 A N 2.508 125.314 122.820 -0.024 0.000 2.588 244 A HA 0.809 5.128 4.320 -0.000 0.000 0.290 244 A C 1.320 178.871 177.584 -0.054 0.000 1.136 244 A CA -0.304 51.684 52.037 -0.081 0.000 0.681 244 A CB 0.658 19.565 19.000 -0.155 0.000 1.282 244 A HN 0.758 nan 8.150 nan 0.000 0.421 245 G N -0.718 108.045 108.800 -0.062 0.000 2.448 245 G HA2 0.330 4.289 3.960 -0.000 0.000 0.218 245 G HA3 0.330 4.289 3.960 -0.000 0.000 0.218 245 G C 0.678 175.553 174.900 -0.042 0.000 1.135 245 G CA 1.823 46.896 45.100 -0.046 0.000 0.784 245 G HN 1.640 nan 8.290 nan 0.000 0.543 246 T N -4.289 110.232 114.554 -0.055 0.000 2.896 246 T HA 0.299 4.648 4.350 -0.000 0.000 0.297 246 T C 0.884 175.544 174.700 -0.067 0.000 1.108 246 T CA -0.247 61.823 62.100 -0.051 0.000 1.004 246 T CB 1.382 70.220 68.868 -0.049 0.000 1.159 246 T HN -0.066 nan 8.240 nan 0.000 0.499 247 C N 0.737 120.001 119.300 -0.060 0.000 2.422 247 C HA -0.017 4.443 4.460 -0.000 0.000 0.279 247 C C 2.578 177.505 174.990 -0.106 0.000 1.305 247 C CA 0.835 59.805 59.018 -0.079 0.000 1.757 247 C CB -1.362 26.343 27.740 -0.060 0.000 1.962 247 C HN 1.007 nan 8.230 nan 0.000 0.499 248 E N 0.930 121.076 120.200 -0.089 0.000 2.072 248 E HA -0.137 4.212 4.350 -0.000 0.000 0.191 248 E C 2.251 178.771 176.600 -0.132 0.000 0.985 248 E CA 0.919 57.262 56.400 -0.095 0.000 0.801 248 E CB -0.280 29.383 29.700 -0.062 0.000 0.750 248 E HN 0.524 nan 8.360 nan 0.000 0.452 249 E N 0.256 120.371 120.200 -0.141 0.000 2.051 249 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 249 E C 2.046 178.457 176.600 -0.314 0.000 0.991 249 E CA 0.829 57.102 56.400 -0.212 0.000 0.799 249 E CB -0.307 29.283 29.700 -0.184 0.000 0.748 249 E HN 0.310 nan 8.360 nan 0.000 0.449 250 M N -0.128 119.326 119.600 -0.243 0.000 2.082 250 M HA -0.229 4.251 4.480 -0.000 0.000 0.258 250 M C 1.996 178.116 176.300 -0.299 0.000 1.069 250 M CA 1.524 56.674 55.300 -0.249 0.000 1.102 250 M CB -0.029 32.465 32.600 -0.177 0.000 1.336 250 M HN 0.042 nan 8.290 nan 0.000 0.404 251 M N -0.045 119.384 119.600 -0.285 0.000 2.159 251 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 251 M C 1.993 178.089 176.300 -0.340 0.000 1.063 251 M CA 1.703 56.788 55.300 -0.358 0.000 1.110 251 M CB -1.252 31.176 32.600 -0.287 0.000 1.374 251 M HN 0.273 nan 8.290 nan 0.000 0.411 252 K N -0.212 120.021 120.400 -0.278 0.000 2.103 252 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 252 K C 2.121 178.531 176.600 -0.316 0.000 1.048 252 K CA 1.257 57.414 56.287 -0.217 0.000 0.930 252 K CB 0.091 32.490 32.500 -0.169 0.000 0.716 252 K HN 0.292 nan 8.250 nan 0.000 0.444 253 R N -0.492 119.647 120.500 -0.602 0.000 2.073 253 R HA 0.001 4.341 4.340 -0.000 0.000 0.229 253 R C 2.347 178.614 176.300 -0.055 0.000 1.120 253 R CA 0.997 56.688 56.100 -0.683 0.000 0.967 253 R CB -0.251 29.538 30.300 -0.852 0.000 0.862 253 R HN 0.137 nan 8.270 nan 0.000 0.436 254 A N 1.374 124.108 122.820 -0.145 0.000 1.908 254 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 254 A C 1.456 179.058 177.584 0.031 0.000 1.181 254 A CA 0.957 52.946 52.037 -0.081 0.000 0.627 254 A CB -0.516 18.253 19.000 -0.385 0.000 0.818 254 A HN 0.049 nan 8.150 nan 0.000 0.445 258 K N 0.733 121.273 120.400 0.233 0.000 2.044 258 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 258 K C 1.470 178.170 176.600 0.166 0.000 1.049 258 K CA 2.092 58.501 56.287 0.202 0.000 0.927 258 K CB -0.171 32.481 32.500 0.254 0.000 0.713 258 K HN 0.629 nan 8.250 nan 0.000 0.443 259 E N 0.212 120.517 120.200 0.174 0.000 2.274 259 E HA -0.082 4.267 4.350 -0.000 0.000 0.194 259 E C 1.833 178.517 176.600 0.141 0.000 0.996 259 E CA 0.528 57.012 56.400 0.140 0.000 0.840 259 E CB 0.098 29.877 29.700 0.130 0.000 0.772 259 E HN 0.331 nan 8.360 nan 0.000 0.491 260 L N -0.639 120.690 121.223 0.176 0.000 2.492 260 L HA 0.117 4.456 4.340 -0.000 0.000 0.223 260 L C 1.479 178.493 176.870 0.241 0.000 1.132 260 L CA 0.421 55.381 54.840 0.199 0.000 0.850 260 L CB 0.029 42.213 42.059 0.208 0.000 0.966 260 L HN 0.262 nan 8.230 nan 0.000 0.454 261 G N 0.687 109.604 108.800 0.195 0.000 2.148 261 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.254 261 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.254 261 G C 0.400 175.435 174.900 0.224 0.000 0.981 261 G CA 0.294 45.514 45.100 0.199 0.000 0.670 261 G HN 0.271 nan 8.290 nan 0.000 0.528 262 V N -2.038 117.977 119.914 0.168 0.000 2.881 262 V HA 0.678 4.798 4.120 -0.000 0.000 0.303 262 V C 0.083 176.226 176.094 0.081 0.000 1.070 262 V CA -0.858 61.490 62.300 0.080 0.000 1.074 262 V CB 1.195 33.016 31.823 -0.003 0.000 1.012 262 V HN 0.057 nan 8.190 nan 0.000 0.482 263 P HA 0.196 nan 4.420 nan 0.000 0.222 263 P C 0.168 177.498 177.300 0.050 0.000 1.153 263 P CA 0.920 64.067 63.100 0.077 0.000 0.798 263 P CB 0.502 32.277 31.700 0.124 0.000 0.796 264 I N -0.336 120.264 120.570 0.051 0.000 2.722 264 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 264 I C -1.026 175.093 176.117 0.005 0.000 1.267 264 I CA -1.523 59.777 61.300 -0.001 0.000 1.036 264 I CB 2.258 40.229 38.000 -0.048 0.000 1.281 264 I HN -0.249 nan 8.210 nan 0.000 0.423 265 I N 4.663 125.222 120.570 -0.019 0.000 3.133 265 I HA 0.697 4.867 4.170 -0.000 0.000 0.311 265 I C -0.819 175.288 176.117 -0.016 0.000 1.072 265 I CA -0.939 60.361 61.300 0.001 0.000 1.015 265 I CB 2.122 40.146 38.000 0.039 0.000 1.233 265 I HN 0.707 nan 8.210 nan 0.000 0.473 266 M N 1.735 121.368 119.600 0.054 0.000 2.644 266 M HA 0.629 5.108 4.480 -0.000 0.000 0.304 266 M C -1.569 174.833 176.300 0.170 0.000 1.215 266 M CA -0.520 54.843 55.300 0.105 0.000 0.871 266 M CB 2.215 34.929 32.600 0.190 0.000 1.740 266 M HN 0.805 nan 8.290 nan 0.000 0.464 267 H N -0.181 118.913 119.070 0.040 0.000 2.894 267 H HA 0.459 5.015 4.556 -0.000 0.000 0.367 267 H C -1.950 173.417 175.328 0.066 0.000 1.144 267 H CA -0.482 55.583 56.048 0.028 0.000 1.180 267 H CB 1.789 31.552 29.762 0.002 0.000 1.758 267 H HN 0.768 nan 8.280 nan 0.000 0.541 268 D N 4.791 124.910 120.400 -0.468 0.000 2.393 268 D HA 0.006 4.646 4.640 -0.000 0.000 0.232 268 D C 0.642 176.621 176.300 -0.536 0.000 1.192 268 D CA -0.151 53.652 54.000 -0.328 0.000 0.882 268 D CB 0.034 40.681 40.800 -0.254 0.000 1.038 268 D HN 0.629 nan 8.370 nan 0.000 0.499 269 Y N 1.116 121.166 120.300 -0.416 0.000 2.395 269 Y HA 0.056 4.606 4.550 -0.001 0.000 0.293 269 Y C 1.352 176.979 175.900 -0.456 0.000 1.123 269 Y CA 0.603 58.486 58.100 -0.362 0.000 1.227 269 Y CB -0.372 37.965 38.460 -0.206 0.000 1.012 269 Y HN 0.226 nan 8.280 nan 0.000 0.552 270 L N 0.478 121.164 121.223 -0.895 0.000 2.127 270 L HA -0.050 4.290 4.340 -0.000 0.000 0.203 270 L C 2.629 179.232 176.870 -0.445 0.000 1.080 270 L CA 1.532 55.884 54.840 -0.813 0.000 0.768 270 L CB -0.754 40.863 42.059 -0.736 0.000 0.924 270 L HN 0.413 nan 8.230 nan 0.000 0.444 271 T N -3.430 110.923 114.554 -0.335 0.000 2.942 271 T HA -0.018 4.331 4.350 -0.000 0.000 0.265 271 T C 1.872 176.454 174.700 -0.197 0.000 1.062 271 T CA 0.867 62.832 62.100 -0.224 0.000 1.139 271 T CB -0.494 68.271 68.868 -0.171 0.000 0.883 271 T HN 0.320 nan 8.240 nan 0.000 0.468 272 G N 1.293 109.943 108.800 -0.249 0.000 2.396 272 G HA2 0.440 4.400 3.960 -0.000 0.000 0.214 272 G HA3 0.440 4.400 3.960 -0.000 0.000 0.214 272 G C 0.858 175.728 174.900 -0.049 0.000 1.166 272 G CA 0.213 45.248 45.100 -0.109 0.000 0.793 272 G HN 1.241 nan 8.290 nan 0.000 0.533 273 G N -1.923 106.790 108.800 -0.146 0.000 2.539 273 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.686 273 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.686 273 G C 0.109 174.946 174.900 -0.105 0.000 1.258 273 G CA -0.193 44.801 45.100 -0.176 0.000 0.846 273 G HN 0.067 nan 8.290 nan 0.000 0.647 274 F N 0.641 120.588 119.950 -0.006 0.000 2.186 274 F HA -0.003 4.523 4.527 -0.001 0.000 0.299 274 F C 3.117 178.938 175.800 0.034 0.000 1.090 274 F CA 2.307 60.318 58.000 0.018 0.000 1.307 274 F CB -0.645 38.315 39.000 -0.066 0.000 1.019 274 F HN 0.561 nan 8.300 nan 0.000 0.489 275 T N -0.088 114.585 114.554 0.197 0.000 2.674 275 T HA -0.215 4.134 4.350 -0.000 0.000 0.265 275 T C 2.325 177.067 174.700 0.069 0.000 1.039 275 T CA 1.550 63.720 62.100 0.116 0.000 1.150 275 T CB -0.779 68.137 68.868 0.081 0.000 0.864 275 T HN 0.279 nan 8.240 nan 0.000 0.427 276 A N 1.925 124.776 122.820 0.051 0.000 1.933 276 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 276 A C 2.259 179.795 177.584 -0.080 0.000 1.175 276 A CA 1.643 53.672 52.037 -0.013 0.000 0.628 276 A CB -0.779 18.226 19.000 0.010 0.000 0.814 276 A HN 0.551 nan 8.150 nan 0.000 0.444 277 N N -0.558 118.164 118.700 0.037 0.000 2.142 277 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 277 N C 1.566 177.084 175.510 0.012 0.000 1.023 277 N CA 1.933 54.993 53.050 0.017 0.000 0.852 277 N CB -0.116 38.517 38.487 0.244 0.000 0.998 277 N HN 0.439 nan 8.380 nan 0.000 0.424 278 T N 0.010 114.610 114.554 0.076 0.000 2.777 278 T HA -0.043 4.306 4.350 -0.000 0.000 0.266 278 T C 2.121 176.834 174.700 0.021 0.000 1.040 278 T CA 1.112 63.253 62.100 0.068 0.000 1.141 278 T CB -0.307 68.624 68.868 0.105 0.000 0.868 278 T HN 0.179 nan 8.240 nan 0.000 0.444 279 S N 1.324 117.026 115.700 0.003 0.000 2.359 279 S HA -0.090 4.379 4.470 -0.000 0.000 0.223 279 S C 1.944 176.537 174.600 -0.012 0.000 1.039 279 S CA 0.944 59.139 58.200 -0.009 0.000 1.042 279 S CB -0.561 62.620 63.200 -0.031 0.000 0.915 279 S HN 0.232 nan 8.310 nan 0.000 0.439 280 L N 1.690 122.864 121.223 -0.081 0.000 2.046 280 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 280 L C 2.389 179.261 176.870 0.004 0.000 1.077 280 L CA 1.931 56.720 54.840 -0.084 0.000 0.747 280 L CB -1.117 40.785 42.059 -0.263 0.000 0.896 280 L HN 0.268 nan 8.230 nan 0.000 0.432 281 A N -0.562 122.244 122.820 -0.024 0.000 1.933 281 A HA -0.191 4.128 4.320 -0.000 0.000 0.218 281 A C 2.268 179.838 177.584 -0.023 0.000 1.175 281 A CA 2.069 54.091 52.037 -0.026 0.000 0.628 281 A CB -0.837 18.144 19.000 -0.032 0.000 0.814 281 A HN 0.500 nan 8.150 nan 0.000 0.444 282 I N -2.235 118.336 120.570 0.001 0.000 2.315 282 I HA -0.233 3.936 4.170 -0.000 0.000 0.248 282 I C 2.406 178.526 176.117 0.007 0.000 1.117 282 I CA 1.485 62.782 61.300 -0.006 0.000 1.404 282 I CB -0.351 37.653 38.000 0.006 0.000 1.071 282 I HN 0.529 nan 8.210 nan 0.000 0.419 283 Y N 1.064 121.335 120.300 -0.048 0.000 2.145 283 Y HA -0.340 4.209 4.550 -0.001 0.000 0.286 283 Y C 2.749 178.637 175.900 -0.020 0.000 1.145 283 Y CA 1.724 59.804 58.100 -0.033 0.000 1.148 283 Y CB -0.437 38.001 38.460 -0.037 0.000 0.981 283 Y HN 0.192 nan 8.280 nan 0.000 0.507 284 C N 0.260 119.605 119.300 0.074 0.000 2.413 284 C HA -0.191 4.268 4.460 -0.000 0.000 0.276 284 C C 2.719 177.667 174.990 -0.069 0.000 1.248 284 C CA 1.494 60.527 59.018 0.025 0.000 1.742 284 C CB -1.341 26.436 27.740 0.063 0.000 2.017 284 C HN 0.580 nan 8.230 nan 0.000 0.481 285 R N 1.779 122.187 120.500 -0.153 0.000 2.091 285 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 285 R C 1.456 177.678 176.300 -0.131 0.000 1.136 285 R CA 2.040 58.014 56.100 -0.211 0.000 0.959 285 R CB -0.860 29.332 30.300 -0.180 0.000 0.856 285 R HN 0.464 nan 8.270 nan 0.000 0.437 286 D N -0.620 119.683 120.400 -0.162 0.000 2.347 286 D HA 0.008 4.648 4.640 -0.000 0.000 0.213 286 D C 0.384 176.559 176.300 -0.208 0.000 0.985 286 D CA 0.626 54.526 54.000 -0.167 0.000 0.879 286 D CB 0.110 40.804 40.800 -0.177 0.000 0.919 286 D HN 0.352 nan 8.370 nan 0.000 0.526 287 N N -0.698 117.848 118.700 -0.257 0.000 2.159 287 N HA 0.093 4.833 4.740 -0.000 0.000 0.217 287 N C 0.938 176.416 175.510 -0.054 0.000 1.223 287 N CA 0.379 53.292 53.050 -0.227 0.000 0.896 287 N CB 2.035 40.224 38.487 -0.497 0.000 1.064 287 N HN 0.062 nan 8.380 nan 0.000 0.518 288 G N 1.746 110.571 108.800 0.040 0.000 2.176 288 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.252 288 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.252 288 G C -0.156 174.797 174.900 0.089 0.000 1.024 288 G CA 0.061 45.237 45.100 0.127 0.000 0.755 288 G HN 0.216 nan 8.290 nan 0.000 0.507 289 L N 0.031 121.346 121.223 0.153 0.000 2.312 289 L HA 0.551 4.891 4.340 -0.000 0.000 0.281 289 L C 1.229 178.196 176.870 0.163 0.000 1.070 289 L CA -1.012 53.897 54.840 0.114 0.000 0.805 289 L CB 1.133 43.267 42.059 0.126 0.000 1.174 289 L HN 0.069 nan 8.230 nan 0.000 0.434 290 L N 3.547 124.772 121.223 0.004 0.000 2.439 290 L HA 0.203 4.542 4.340 -0.000 0.000 0.269 290 L C -0.380 176.440 176.870 -0.084 0.000 1.179 290 L CA -0.273 54.550 54.840 -0.028 0.000 0.828 290 L CB 0.881 42.845 42.059 -0.158 0.000 1.106 290 L HN 0.381 nan 8.230 nan 0.000 0.467 291 L N 3.023 124.168 121.223 -0.130 0.000 2.345 291 L HA 0.327 4.667 4.340 -0.000 0.000 0.274 291 L C -0.486 176.200 176.870 -0.307 0.000 0.999 291 L CA -0.247 54.495 54.840 -0.163 0.000 0.849 291 L CB 0.905 42.916 42.059 -0.080 0.000 1.220 291 L HN 0.445 nan 8.230 nan 0.000 0.422 292 H N 5.338 124.104 119.070 -0.506 0.000 2.620 292 H HA 0.512 5.068 4.556 -0.000 0.000 0.313 292 H C -0.739 174.463 175.328 -0.211 0.000 1.075 292 H CA -0.387 55.329 56.048 -0.553 0.000 1.397 292 H CB 0.651 29.780 29.762 -1.055 0.000 1.446 292 H HN 0.500 nan 8.280 nan 0.000 0.493 293 I N 5.798 126.037 120.570 -0.551 0.000 2.354 293 I HA 0.117 4.287 4.170 -0.000 0.000 0.292 293 I C 0.175 176.141 176.117 -0.251 0.000 0.989 293 I CA -0.414 60.713 61.300 -0.287 0.000 1.188 293 I CB 0.979 38.791 38.000 -0.313 0.000 1.342 293 I HN 0.723 nan 8.210 nan 0.000 0.457 294 H N 7.374 126.367 119.070 -0.128 0.000 2.458 294 H HA 0.322 4.878 4.556 -0.000 0.000 0.330 294 H C 0.336 175.625 175.328 -0.065 0.000 1.111 294 H CA -0.459 55.465 56.048 -0.207 0.000 1.245 294 H CB 1.497 31.160 29.762 -0.164 0.000 1.456 294 H HN 0.591 nan 8.280 nan 0.000 0.488 295 R N 3.089 123.377 120.500 -0.353 0.000 2.480 295 R HA 0.400 4.739 4.340 -0.000 0.000 0.277 295 R C 0.249 176.540 176.300 -0.015 0.000 1.008 295 R CA -0.376 55.698 56.100 -0.043 0.000 1.090 295 R CB 0.006 30.242 30.300 -0.107 0.000 1.234 295 R HN 0.383 nan 8.270 nan 0.000 0.549 296 A N 1.565 124.475 122.820 0.150 0.000 2.608 296 A HA -0.029 4.291 4.320 -0.000 0.000 0.239 296 A C 1.005 178.584 177.584 -0.007 0.000 1.018 296 A CA 1.144 53.269 52.037 0.146 0.000 0.766 296 A CB -0.224 18.846 19.000 0.116 0.000 0.928 296 A HN 0.852 nan 8.150 nan 0.000 0.512 297 M N 0.028 119.613 119.600 -0.024 0.000 2.983 297 M HA -0.319 4.161 4.480 -0.000 0.000 0.203 297 M C 1.160 177.397 176.300 -0.105 0.000 0.601 297 M CA 1.958 57.205 55.300 -0.089 0.000 0.778 297 M CB -1.966 30.563 32.600 -0.118 0.000 2.782 297 M HN 1.302 nan 8.290 nan 0.000 0.290 298 H N -0.706 118.289 119.070 -0.126 0.000 2.390 298 H HA 0.100 4.656 4.556 -0.000 0.000 0.298 298 H C 1.686 176.971 175.328 -0.071 0.000 1.106 298 H CA 2.207 58.205 56.048 -0.084 0.000 1.297 298 H CB -0.554 29.177 29.762 -0.052 0.000 1.375 298 H HN 0.512 nan 8.280 nan 0.000 0.509 299 A N 1.057 123.352 122.820 -0.874 0.000 2.119 299 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 299 A C 2.524 179.951 177.584 -0.262 0.000 1.153 299 A CA 0.956 52.625 52.037 -0.614 0.000 0.692 299 A CB -0.645 17.972 19.000 -0.638 0.000 0.799 299 A HN 0.359 nan 8.150 nan 0.000 0.458 300 V N -0.034 119.761 119.914 -0.199 0.000 2.392 300 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 300 V C 2.268 178.326 176.094 -0.061 0.000 1.059 300 V CA 2.240 64.477 62.300 -0.105 0.000 1.051 300 V CB -0.536 31.235 31.823 -0.088 0.000 0.658 300 V HN 0.620 nan 8.190 nan 0.000 0.455 301 I N 0.601 121.134 120.570 -0.061 0.000 2.731 301 I HA -0.036 4.134 4.170 -0.000 0.000 0.260 301 I C 1.738 177.856 176.117 0.002 0.000 1.138 301 I CA 1.251 62.541 61.300 -0.018 0.000 1.461 301 I CB -0.143 37.858 38.000 0.002 0.000 1.128 301 I HN 0.465 nan 8.210 nan 0.000 0.438 302 D N -0.350 120.039 120.400 -0.018 0.000 2.433 302 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 302 D C 1.811 178.095 176.300 -0.027 0.000 1.114 302 D CA -0.048 53.953 54.000 0.002 0.000 0.837 302 D CB 0.062 40.902 40.800 0.067 0.000 0.984 302 D HN -0.031 nan 8.370 nan 0.000 0.505 303 R N 0.226 120.701 120.500 -0.041 0.000 2.062 303 R HA 0.069 4.409 4.340 -0.000 0.000 0.226 303 R C 0.482 176.797 176.300 0.024 0.000 1.125 303 R CA 0.995 57.075 56.100 -0.033 0.000 0.966 303 R CB -0.106 30.153 30.300 -0.068 0.000 0.861 303 R HN 0.025 nan 8.270 nan 0.000 0.433 304 Q N 0.709 120.538 119.800 0.047 0.000 2.314 304 Q HA 0.048 4.387 4.340 -0.000 0.000 0.258 304 Q C 0.342 176.409 176.000 0.111 0.000 0.954 304 Q CA 0.147 55.996 55.803 0.078 0.000 0.890 304 Q CB 1.268 30.059 28.738 0.089 0.000 1.210 304 Q HN 0.260 nan 8.270 nan 0.000 0.410 305 R N 2.325 122.891 120.500 0.109 0.000 2.115 305 R HA -0.136 4.203 4.340 -0.000 0.000 0.230 305 R C 1.337 177.711 176.300 0.123 0.000 1.111 305 R CA 1.567 57.741 56.100 0.123 0.000 0.976 305 R CB 0.275 30.637 30.300 0.103 0.000 0.870 305 R HN 0.663 nan 8.270 nan 0.000 0.445 306 N N -1.045 117.731 118.700 0.128 0.000 2.415 306 N HA -0.114 4.626 4.740 -0.000 0.000 0.176 306 N C -0.340 175.299 175.510 0.216 0.000 1.042 306 N CA 0.766 53.901 53.050 0.141 0.000 0.902 306 N CB 0.095 38.653 38.487 0.117 0.000 0.986 306 N HN 0.266 nan 8.380 nan 0.000 0.447 307 H N -1.398 117.743 119.070 0.117 0.000 3.026 307 H HA 0.567 5.123 4.556 -0.000 0.000 0.352 307 H C 0.038 175.468 175.328 0.169 0.000 1.090 307 H CA 0.337 56.485 56.048 0.167 0.000 1.268 307 H CB 1.375 31.222 29.762 0.142 0.000 1.816 307 H HN 0.335 nan 8.280 nan 0.000 0.518 308 G N 2.747 111.488 108.800 -0.098 0.000 2.225 308 G HA2 0.014 3.974 3.960 -0.000 0.000 0.203 308 G HA3 0.014 3.974 3.960 -0.000 0.000 0.203 308 G C -1.573 173.332 174.900 0.008 0.000 1.335 308 G CA -0.287 44.774 45.100 -0.064 0.000 1.183 308 G HN 0.632 nan 8.290 nan 0.000 0.488 309 I N 1.008 121.583 120.570 0.008 0.000 2.534 309 I HA 0.331 4.501 4.170 -0.000 0.000 0.288 309 I C 0.074 176.253 176.117 0.102 0.000 1.077 309 I CA -0.867 60.461 61.300 0.046 0.000 1.051 309 I CB 2.024 40.029 38.000 0.008 0.000 1.234 309 I HN 0.664 nan 8.210 nan 0.000 0.425 310 H N 4.920 124.017 119.070 0.046 0.000 2.897 310 H HA -0.010 4.546 4.556 -0.000 0.000 0.347 310 H C 0.527 175.926 175.328 0.119 0.000 1.068 310 H CA 0.672 56.780 56.048 0.099 0.000 1.426 310 H CB 1.013 30.825 29.762 0.082 0.000 1.410 310 H HN 0.656 nan 8.280 nan 0.000 0.597 311 F N 5.427 125.166 119.950 -0.351 0.000 2.192 311 F HA -0.250 4.277 4.527 -0.001 0.000 0.301 311 F C 2.575 178.317 175.800 -0.096 0.000 1.079 311 F CA 1.875 59.738 58.000 -0.230 0.000 1.303 311 F CB -0.107 38.623 39.000 -0.451 0.000 1.024 311 F HN 0.686 nan 8.300 nan 0.000 0.494 312 R N -0.434 120.139 120.500 0.121 0.000 2.127 312 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 312 R C 1.774 178.041 176.300 -0.055 0.000 1.134 312 R CA 1.884 58.004 56.100 0.033 0.000 0.975 312 R CB -1.394 29.110 30.300 0.339 0.000 0.865 312 R HN 0.305 nan 8.270 nan 0.000 0.447 313 V N 1.820 121.739 119.914 0.009 0.000 2.488 313 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 313 V C 2.409 178.545 176.094 0.070 0.000 1.046 313 V CA 1.336 63.650 62.300 0.023 0.000 1.053 313 V CB -0.353 31.469 31.823 -0.002 0.000 0.679 313 V HN 0.263 nan 8.190 nan 0.000 0.458 314 L N 0.240 121.471 121.223 0.013 0.000 2.201 314 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 314 L C 2.628 179.427 176.870 -0.118 0.000 1.105 314 L CA 1.350 56.253 54.840 0.105 0.000 0.775 314 L CB -0.730 41.404 42.059 0.124 0.000 0.913 314 L HN 0.357 nan 8.230 nan 0.000 0.440 315 A N 0.043 122.522 122.820 -0.568 0.000 1.930 315 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 315 A C 2.344 179.818 177.584 -0.182 0.000 1.176 315 A CA 1.069 52.781 52.037 -0.541 0.000 0.632 315 A CB -0.176 18.361 19.000 -0.771 0.000 0.819 315 A HN 0.254 nan 8.150 nan 0.000 0.445 316 K N -0.108 120.277 120.400 -0.025 0.000 2.057 316 K HA -0.062 4.258 4.320 -0.000 0.000 0.207 316 K C 2.305 178.966 176.600 0.101 0.000 1.049 316 K CA 1.106 57.505 56.287 0.187 0.000 0.931 316 K CB -0.316 32.319 32.500 0.224 0.000 0.714 316 K HN 0.420 nan 8.250 nan 0.000 0.440 317 A N 1.871 124.737 122.820 0.076 0.000 1.908 317 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 317 A C 2.045 179.630 177.584 0.001 0.000 1.181 317 A CA 1.103 53.145 52.037 0.007 0.000 0.627 317 A CB -0.567 18.463 19.000 0.050 0.000 0.818 317 A HN 0.251 nan 8.150 nan 0.000 0.445 318 L N -0.456 120.779 121.223 0.020 0.000 2.093 318 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 318 L C 2.440 179.189 176.870 -0.203 0.000 1.085 318 L CA 2.200 56.937 54.840 -0.171 0.000 0.755 318 L CB -0.797 40.918 42.059 -0.573 0.000 0.904 318 L HN 0.534 nan 8.230 nan 0.000 0.435 319 R N -0.658 119.707 120.500 -0.224 0.000 2.115 319 R HA -0.155 4.184 4.340 -0.000 0.000 0.230 319 R C 2.284 178.441 176.300 -0.237 0.000 1.111 319 R CA 1.494 57.410 56.100 -0.307 0.000 0.976 319 R CB -0.042 29.913 30.300 -0.574 0.000 0.870 319 R HN 0.358 nan 8.270 nan 0.000 0.445 320 M N -1.020 118.451 119.600 -0.215 0.000 2.123 320 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 320 M C 2.466 178.669 176.300 -0.161 0.000 1.069 320 M CA 1.557 56.636 55.300 -0.369 0.000 1.133 320 M CB -0.207 31.869 32.600 -0.874 0.000 1.356 320 M HN 0.100 nan 8.290 nan 0.000 0.415 321 S N -0.273 115.379 115.700 -0.080 0.000 2.370 321 S HA 0.040 4.510 4.470 -0.000 0.000 0.226 321 S C 0.845 175.470 174.600 0.043 0.000 1.033 321 S CA 1.356 59.605 58.200 0.081 0.000 1.011 321 S CB -0.393 62.935 63.200 0.212 0.000 0.852 321 S HN 0.676 nan 8.310 nan 0.000 0.457 322 G N -1.567 107.208 108.800 -0.043 0.000 3.239 322 G HA2 0.425 4.384 3.960 -0.000 0.000 0.666 322 G HA3 0.425 4.384 3.960 -0.000 0.000 0.666 322 G C -0.328 174.502 174.900 -0.117 0.000 1.313 322 G CA -0.460 44.595 45.100 -0.075 0.000 1.001 322 G HN 1.048 nan 8.290 nan 0.000 0.573 323 G N 0.693 109.404 108.800 -0.148 0.000 2.691 323 G HA2 0.596 4.556 3.960 -0.000 0.000 0.298 323 G HA3 0.596 4.556 3.960 -0.000 0.000 0.298 323 G C -0.083 174.731 174.900 -0.143 0.000 1.471 323 G CA 0.254 45.254 45.100 -0.166 0.000 0.912 323 G HN 0.359 nan 8.290 nan 0.000 0.553 324 D N -0.140 120.181 120.400 -0.133 0.000 2.213 324 D HA 0.057 4.696 4.640 -0.000 0.000 0.205 324 D C 0.364 176.701 176.300 0.062 0.000 0.961 324 D CA 1.123 55.086 54.000 -0.062 0.000 0.853 324 D CB 0.317 41.071 40.800 -0.076 0.000 0.967 324 D HN 0.591 nan 8.370 nan 0.000 0.496 325 H N -0.695 118.245 119.070 -0.217 0.000 2.622 325 H HA 0.537 5.093 4.556 -0.000 0.000 0.363 325 H C -1.080 174.039 175.328 -0.350 0.000 1.151 325 H CA -1.067 54.822 56.048 -0.266 0.000 1.184 325 H CB 2.660 32.238 29.762 -0.307 0.000 1.643 325 H HN -0.119 nan 8.280 nan 0.000 0.531 326 L N 2.158 123.295 121.223 -0.143 0.000 2.436 326 L HA 0.230 4.570 4.340 -0.000 0.000 0.268 326 L C -0.684 176.138 176.870 -0.080 0.000 0.974 326 L CA -0.444 54.305 54.840 -0.151 0.000 0.826 326 L CB 1.508 43.489 42.059 -0.130 0.000 1.291 326 L HN 0.709 nan 8.230 nan 0.000 0.406 327 H N 2.825 121.763 119.070 -0.221 0.000 3.070 327 H HA 0.104 4.659 4.556 -0.001 0.000 0.313 327 H C 0.373 175.608 175.328 -0.154 0.000 0.997 327 H CA 0.948 56.871 56.048 -0.209 0.000 1.438 327 H CB 0.911 30.473 29.762 -0.333 0.000 1.455 327 H HN 0.784 nan 8.280 nan 0.000 0.575 328 S N 1.969 117.658 115.700 -0.020 0.000 2.578 328 S HA 0.283 4.753 4.470 -0.000 0.000 0.228 328 S C 1.013 175.733 174.600 0.199 0.000 1.022 328 S CA 0.082 58.408 58.200 0.209 0.000 0.967 328 S CB 1.067 64.479 63.200 0.353 0.000 0.914 328 S HN 1.063 nan 8.310 nan 0.000 0.515 329 G N 1.205 110.008 108.800 0.004 0.000 2.746 329 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.685 329 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.685 329 G C 0.278 175.240 174.900 0.103 0.000 1.350 329 G CA 0.105 45.226 45.100 0.036 0.000 0.837 329 G HN 0.966 nan 8.290 nan 0.000 0.564 330 T N -3.050 111.537 114.554 0.055 0.000 2.971 330 T HA 0.443 4.793 4.350 -0.000 0.000 0.252 330 T C 1.860 176.625 174.700 0.107 0.000 1.022 330 T CA 1.358 63.501 62.100 0.071 0.000 0.980 330 T CB 0.401 69.198 68.868 -0.119 0.000 1.044 330 T HN 2.295 nan 8.240 nan 0.000 0.501 331 V N 0.826 120.775 119.914 0.059 0.000 0.481 331 V HA -0.335 3.785 4.120 -0.000 0.000 0.092 331 V C 2.081 178.183 176.094 0.014 0.000 2.400 331 V CA 1.931 64.248 62.300 0.029 0.000 3.646 331 V CB -2.019 29.804 31.823 0.000 0.000 0.927 331 V HN 0.710 nan 8.190 nan 0.000 0.973 332 V N -0.839 119.057 119.914 -0.030 0.000 3.608 332 V HA 0.662 4.782 4.120 -0.000 0.000 0.269 332 V C 1.232 177.230 176.094 -0.161 0.000 1.245 332 V CA 1.380 63.644 62.300 -0.059 0.000 1.138 332 V CB -0.114 31.674 31.823 -0.057 0.000 0.841 332 V HN 0.957 nan 8.190 nan 0.000 0.451 333 G N 1.275 109.935 108.800 -0.233 0.000 2.574 333 G HA2 0.306 4.266 3.960 -0.000 0.000 0.248 333 G HA3 0.306 4.266 3.960 -0.000 0.000 0.248 333 G C 0.695 175.291 174.900 -0.507 0.000 1.422 333 G CA -0.013 44.863 45.100 -0.373 0.000 1.051 333 G HN 0.473 nan 8.290 nan 0.000 0.560 334 K N -1.209 118.663 120.400 -0.880 0.000 2.432 334 K HA 0.167 4.487 4.320 -0.000 0.000 0.196 334 K C 0.184 176.573 176.600 -0.351 0.000 1.038 334 K CA 0.361 56.091 56.287 -0.929 0.000 0.986 334 K CB -0.215 31.726 32.500 -0.931 0.000 0.782 334 K HN 0.183 nan 8.250 nan 0.000 0.485 335 L N 1.789 122.864 121.223 -0.247 0.000 2.334 335 L HA 0.316 4.656 4.340 -0.000 0.000 0.273 335 L C -0.075 176.754 176.870 -0.069 0.000 1.013 335 L CA -0.989 53.770 54.840 -0.135 0.000 0.816 335 L CB 1.818 43.814 42.059 -0.105 0.000 1.278 335 L HN 0.090 nan 8.230 nan 0.000 0.431 336 E N 0.906 121.082 120.200 -0.039 0.000 2.392 336 E HA 0.456 4.805 4.350 -0.000 0.000 0.264 336 E C -0.292 176.333 176.600 0.043 0.000 1.024 336 E CA 0.004 56.410 56.400 0.010 0.000 0.903 336 E CB 0.779 30.483 29.700 0.007 0.000 0.963 336 E HN 0.756 nan 8.360 nan 0.000 0.432 337 G N 4.154 112.997 108.800 0.070 0.000 1.985 337 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.303 337 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.303 337 G C -1.049 173.901 174.900 0.084 0.000 1.730 337 G CA -0.728 44.437 45.100 0.108 0.000 1.057 337 G HN 0.463 nan 8.290 nan 0.000 0.515 338 E N 2.234 122.492 120.200 0.097 0.000 2.384 338 E HA 0.097 4.447 4.350 -0.000 0.000 0.266 338 E C 1.530 178.133 176.600 0.006 0.000 1.012 338 E CA -0.474 55.963 56.400 0.061 0.000 0.901 338 E CB 0.954 30.703 29.700 0.082 0.000 0.967 338 E HN 0.595 nan 8.360 nan 0.000 0.435 339 R N 3.420 123.906 120.500 -0.022 0.000 2.112 339 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 339 R C 1.426 177.658 176.300 -0.114 0.000 1.137 339 R CA 1.943 57.995 56.100 -0.080 0.000 0.944 339 R CB 0.086 30.349 30.300 -0.061 0.000 0.857 339 R HN 0.503 nan 8.270 nan 0.000 0.435 340 E N -0.048 120.111 120.200 -0.069 0.000 2.072 340 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 340 E C 2.154 178.702 176.600 -0.085 0.000 0.982 340 E CA 0.964 57.319 56.400 -0.074 0.000 0.803 340 E CB -0.327 29.349 29.700 -0.040 0.000 0.755 340 E HN 0.209 nan 8.360 nan 0.000 0.453 341 V N 1.521 121.414 119.914 -0.034 0.000 2.324 341 V HA -0.277 3.843 4.120 -0.000 0.000 0.250 341 V C 2.311 178.248 176.094 -0.261 0.000 1.060 341 V CA 2.296 64.607 62.300 0.019 0.000 1.042 341 V CB -0.814 31.135 31.823 0.211 0.000 0.650 341 V HN 0.299 nan 8.190 nan 0.000 0.450 342 T N -0.038 114.264 114.554 -0.420 0.000 2.812 342 T HA -0.025 4.325 4.350 -0.000 0.000 0.264 342 T C 1.870 176.103 174.700 -0.779 0.000 1.042 342 T CA 1.195 62.737 62.100 -0.931 0.000 1.140 342 T CB -0.223 68.392 68.868 -0.423 0.000 0.870 342 T HN 0.297 nan 8.240 nan 0.000 0.445 343 L N 0.850 121.818 121.223 -0.425 0.000 2.083 343 L HA -0.018 4.321 4.340 -0.000 0.000 0.209 343 L C 2.956 179.703 176.870 -0.205 0.000 1.083 343 L CA 1.261 55.927 54.840 -0.290 0.000 0.752 343 L CB -1.093 40.844 42.059 -0.203 0.000 0.899 343 L HN 0.349 nan 8.230 nan 0.000 0.433 344 G N 1.329 110.017 108.800 -0.188 0.000 2.545 344 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.217 344 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.217 344 G C 1.266 176.189 174.900 0.038 0.000 1.218 344 G CA 1.224 46.290 45.100 -0.057 0.000 0.787 344 G HN 0.488 nan 8.290 nan 0.000 0.571 345 F N 0.519 120.547 119.950 0.131 0.000 2.558 345 F HA 0.289 4.816 4.527 -0.000 0.000 0.298 345 F C 2.130 178.006 175.800 0.127 0.000 1.119 345 F CA -0.079 58.009 58.000 0.147 0.000 1.451 345 F CB -0.817 38.306 39.000 0.206 0.000 1.091 345 F HN 0.009 nan 8.300 nan 0.000 0.563 346 V N 1.187 121.183 119.914 0.136 0.000 2.358 346 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 346 V C 2.121 178.289 176.094 0.123 0.000 1.047 346 V CA 2.227 64.630 62.300 0.172 0.000 1.035 346 V CB -0.640 31.221 31.823 0.064 0.000 0.658 346 V HN 0.207 nan 8.190 nan 0.000 0.452 347 D N 0.178 120.626 120.400 0.080 0.000 2.117 347 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 347 D C 2.125 178.507 176.300 0.137 0.000 0.987 347 D CA 1.184 55.237 54.000 0.089 0.000 0.829 347 D CB -0.295 40.547 40.800 0.070 0.000 0.961 347 D HN 0.321 nan 8.370 nan 0.000 0.460 348 L N -0.170 121.170 121.223 0.194 0.000 2.127 348 L HA -0.155 4.184 4.340 -0.000 0.000 0.211 348 L C 2.480 179.430 176.870 0.133 0.000 1.089 348 L CA 0.846 55.861 54.840 0.292 0.000 0.757 348 L CB -0.272 41.983 42.059 0.325 0.000 0.899 348 L HN 0.063 nan 8.230 nan 0.000 0.434 349 M N -1.376 118.258 119.600 0.057 0.000 2.236 349 M HA -0.113 4.367 4.480 -0.000 0.000 0.266 349 M C 2.255 178.448 176.300 -0.178 0.000 1.070 349 M CA 1.613 56.856 55.300 -0.095 0.000 1.137 349 M CB -0.045 32.571 32.600 0.027 0.000 1.378 349 M HN 0.119 nan 8.290 nan 0.000 0.426 350 R N -0.706 119.752 120.500 -0.070 0.000 2.167 350 R HA 0.109 4.448 4.340 -0.000 0.000 0.201 350 R C -0.100 176.171 176.300 -0.048 0.000 1.024 350 R CA 0.203 56.269 56.100 -0.057 0.000 1.053 350 R CB 0.243 30.552 30.300 0.014 0.000 0.987 350 R HN 0.237 nan 8.270 nan 0.000 0.493 351 D N 0.472 120.877 120.400 0.008 0.000 2.312 351 D HA 0.002 4.642 4.640 -0.000 0.000 0.248 351 D C 0.297 176.686 176.300 0.147 0.000 1.086 351 D CA -0.041 54.011 54.000 0.087 0.000 0.948 351 D CB 1.231 42.114 40.800 0.138 0.000 1.162 351 D HN -0.102 nan 8.370 nan 0.000 0.446 352 D N -0.718 119.802 120.400 0.200 0.000 2.194 352 D HA -0.103 4.537 4.640 -0.000 0.000 0.204 352 D C -0.608 175.953 176.300 0.435 0.000 0.964 352 D CA 0.763 54.941 54.000 0.296 0.000 0.846 352 D CB 0.231 41.159 40.800 0.213 0.000 0.962 352 D HN 0.340 nan 8.370 nan 0.000 0.490 353 Y N -0.332 120.092 120.300 0.207 0.000 2.362 353 Y HA 0.422 4.972 4.550 -0.001 0.000 0.326 353 Y C -1.709 174.270 175.900 0.132 0.000 1.083 353 Y CA -0.953 57.236 58.100 0.148 0.000 1.073 353 Y CB 1.547 40.061 38.460 0.090 0.000 1.211 353 Y HN -0.333 nan 8.280 nan 0.000 0.433 354 V N 6.087 125.914 119.914 -0.145 0.000 2.409 354 V HA 0.321 4.440 4.120 -0.000 0.000 0.290 354 V C -0.433 175.552 176.094 -0.183 0.000 1.017 354 V CA -0.975 61.297 62.300 -0.047 0.000 0.841 354 V CB 1.410 33.269 31.823 0.060 0.000 1.003 354 V HN 0.714 nan 8.190 nan 0.000 0.426 355 E N 2.913 123.078 120.200 -0.059 0.000 2.383 355 E HA 0.165 4.515 4.350 -0.000 0.000 0.264 355 E C 0.030 176.617 176.600 -0.021 0.000 1.050 355 E CA -0.554 55.825 56.400 -0.036 0.000 0.896 355 E CB 1.317 31.061 29.700 0.074 0.000 0.982 355 E HN 0.519 nan 8.360 nan 0.000 0.424 356 K N 2.065 122.455 120.400 -0.018 0.000 2.530 356 K HA -0.146 4.173 4.320 -0.000 0.000 0.280 356 K C -0.697 175.881 176.600 -0.036 0.000 1.004 356 K CA 0.791 57.065 56.287 -0.022 0.000 1.071 356 K CB 0.271 32.763 32.500 -0.014 0.000 0.876 356 K HN 0.373 nan 8.250 nan 0.000 0.487 357 D N 3.823 124.185 120.400 -0.064 0.000 2.362 357 D HA 0.138 4.778 4.640 -0.000 0.000 0.232 357 D C 0.221 176.449 176.300 -0.121 0.000 1.329 357 D CA -0.460 53.498 54.000 -0.071 0.000 0.944 357 D CB 0.571 41.347 40.800 -0.038 0.000 1.471 357 D HN 0.473 nan 8.370 nan 0.000 0.533 358 R N 0.705 121.102 120.500 -0.171 0.000 2.189 358 R HA -0.041 4.298 4.340 -0.000 0.000 0.223 358 R C 1.729 177.925 176.300 -0.173 0.000 1.092 358 R CA 0.980 56.924 56.100 -0.259 0.000 0.989 358 R CB -0.444 29.680 30.300 -0.295 0.000 0.876 358 R HN 0.469 nan 8.270 nan 0.000 0.457 359 S N 0.034 115.668 115.700 -0.109 0.000 2.555 359 S HA 0.004 4.474 4.470 -0.000 0.000 0.230 359 S C 1.419 175.982 174.600 -0.060 0.000 0.978 359 S CA 0.460 58.616 58.200 -0.074 0.000 0.934 359 S CB 0.052 63.219 63.200 -0.054 0.000 0.766 359 S HN 0.243 nan 8.310 nan 0.000 0.533 360 R N -0.096 120.365 120.500 -0.066 0.000 2.565 360 R HA 0.312 4.652 4.340 -0.000 0.000 0.347 360 R C 1.105 177.388 176.300 -0.029 0.000 1.010 360 R CA 0.285 56.358 56.100 -0.045 0.000 1.126 360 R CB 0.533 30.807 30.300 -0.043 0.000 1.331 360 R HN 0.482 nan 8.270 nan 0.000 0.552 361 G N 1.802 110.566 108.800 -0.061 0.000 2.155 361 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 361 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 361 G C 0.136 175.068 174.900 0.054 0.000 0.983 361 G CA -0.014 45.071 45.100 -0.025 0.000 0.676 361 G HN 0.271 nan 8.290 nan 0.000 0.528 362 I N 0.779 121.338 120.570 -0.017 0.000 2.291 362 I HA 0.326 4.496 4.170 -0.000 0.000 0.292 362 I C 1.239 177.328 176.117 -0.047 0.000 1.064 362 I CA -0.882 60.442 61.300 0.040 0.000 1.269 362 I CB 0.470 38.486 38.000 0.027 0.000 1.418 362 I HN 0.065 nan 8.210 nan 0.000 0.485 363 Y N 5.274 125.445 120.300 -0.215 0.000 2.475 363 Y HA 0.178 4.727 4.550 -0.000 0.000 0.289 363 Y C 0.199 175.738 175.900 -0.601 0.000 1.121 363 Y CA 0.372 58.203 58.100 -0.449 0.000 1.257 363 Y CB -0.029 38.014 38.460 -0.695 0.000 1.026 363 Y HN 0.298 nan 8.280 nan 0.000 0.555 364 F N -1.590 118.452 119.950 0.153 0.000 2.578 364 F HA 0.365 4.892 4.527 -0.000 0.000 0.311 364 F C 0.213 175.993 175.800 -0.034 0.000 1.094 364 F CA -1.833 56.205 58.000 0.064 0.000 0.923 364 F CB 1.003 40.031 39.000 0.047 0.000 1.230 364 F HN -0.479 nan 8.300 nan 0.000 0.450 365 T N 2.016 116.641 114.554 0.118 0.000 2.902 365 T HA 0.211 4.561 4.350 -0.000 0.000 0.301 365 T C -0.353 174.239 174.700 -0.179 0.000 1.012 365 T CA 0.085 62.134 62.100 -0.085 0.000 1.151 365 T CB 0.483 69.290 68.868 -0.102 0.000 0.946 365 T HN 0.435 nan 8.240 nan 0.000 0.542 366 Q N 2.606 122.206 119.800 -0.333 0.000 2.325 366 Q HA 0.359 4.699 4.340 -0.000 0.000 0.270 366 Q C -1.520 174.157 176.000 -0.538 0.000 1.020 366 Q CA -0.675 54.876 55.803 -0.420 0.000 0.785 366 Q CB 1.322 29.838 28.738 -0.370 0.000 1.259 366 Q HN 0.504 nan 8.270 nan 0.000 0.452 367 D N 3.832 123.967 120.400 -0.443 0.000 2.381 367 D HA 0.285 4.925 4.640 -0.000 0.000 0.235 367 D C -1.151 175.037 176.300 -0.186 0.000 1.068 367 D CA -0.229 53.678 54.000 -0.155 0.000 0.832 367 D CB 0.458 41.297 40.800 0.065 0.000 1.101 367 D HN 0.467 nan 8.370 nan 0.000 0.515 371 M N 3.862 123.541 119.600 0.131 0.000 2.252 371 M HA 0.212 4.692 4.480 -0.000 0.000 0.348 371 M C -2.668 173.616 176.300 -0.026 0.000 1.334 371 M CA -0.915 54.426 55.300 0.070 0.000 1.071 371 M CB 0.280 32.959 32.600 0.132 0.000 1.763 371 M HN -0.156 nan 8.290 nan 0.000 0.452 372 P HA 0.106 nan 4.420 nan 0.000 0.267 372 P C -0.485 176.720 177.300 -0.159 0.000 1.200 372 P CA -0.041 63.017 63.100 -0.071 0.000 0.772 372 P CB 0.410 32.081 31.700 -0.049 0.000 0.855 373 G N 1.058 109.779 108.800 -0.131 0.000 2.507 373 G HA2 0.437 4.397 3.960 -0.000 0.000 0.271 373 G HA3 0.437 4.397 3.960 -0.000 0.000 0.271 373 G C -0.836 173.984 174.900 -0.133 0.000 1.189 373 G CA -0.397 44.597 45.100 -0.177 0.000 0.859 373 G HN 0.359 nan 8.290 nan 0.000 0.542 374 V N 2.430 122.249 119.914 -0.157 0.000 2.398 374 V HA 0.286 4.406 4.120 -0.000 0.000 0.286 374 V C 0.398 176.458 176.094 -0.056 0.000 1.026 374 V CA -0.706 61.528 62.300 -0.110 0.000 0.868 374 V CB 1.457 33.181 31.823 -0.165 0.000 0.982 374 V HN 0.830 nan 8.190 nan 0.000 0.443 375 M N 9.737 129.325 119.600 -0.019 0.000 2.307 375 M HA 0.287 4.767 4.480 -0.000 0.000 0.346 375 M C -2.308 173.929 176.300 -0.105 0.000 1.552 375 M CA -0.992 54.273 55.300 -0.059 0.000 1.116 375 M CB 0.613 33.150 32.600 -0.104 0.000 1.889 375 M HN 0.354 nan 8.290 nan 0.000 0.460 376 P HA 0.126 nan 4.420 nan 0.000 0.276 376 P C -1.282 175.867 177.300 -0.252 0.000 1.230 376 P CA -0.245 62.812 63.100 -0.072 0.000 0.776 376 P CB 0.690 32.446 31.700 0.093 0.000 0.888 377 V N 3.059 122.788 119.914 -0.307 0.000 2.378 377 V HA 0.490 4.609 4.120 -0.000 0.000 0.288 377 V C 0.502 176.287 176.094 -0.515 0.000 1.016 377 V CA -0.844 61.187 62.300 -0.448 0.000 0.840 377 V CB 1.130 32.653 31.823 -0.501 0.000 0.994 377 V HN 0.678 nan 8.190 nan 0.000 0.431 378 A N 3.979 126.432 122.820 -0.611 0.000 2.276 378 A HA 0.798 5.118 4.320 -0.000 0.000 0.300 378 A C 0.136 177.451 177.584 -0.449 0.000 1.235 378 A CA -0.151 51.550 52.037 -0.560 0.000 0.867 378 A CB 0.851 19.362 19.000 -0.816 0.000 1.137 378 A HN 0.934 nan 8.150 nan 0.000 0.527 379 S N 1.808 117.314 115.700 -0.324 0.000 2.543 379 S HA 0.708 5.178 4.470 -0.000 0.000 0.273 379 S C -0.537 173.959 174.600 -0.173 0.000 1.152 379 S CA 0.458 58.503 58.200 -0.258 0.000 0.910 379 S CB 1.120 64.240 63.200 -0.134 0.000 1.105 379 S HN 2.629 nan 8.310 nan 0.000 0.465 380 G N 1.779 110.461 108.800 -0.196 0.000 2.949 380 G HA2 0.453 4.412 3.960 -0.000 0.000 0.658 380 G HA3 0.453 4.412 3.960 -0.000 0.000 0.658 380 G C 0.878 175.617 174.900 -0.267 0.000 1.194 380 G CA 0.373 45.369 45.100 -0.173 0.000 1.204 380 G HN 2.239 nan 8.290 nan 0.000 0.524 381 G N 0.184 108.850 108.800 -0.223 0.000 2.160 381 G HA2 0.006 3.966 3.960 -0.000 0.000 0.244 381 G HA3 0.006 3.966 3.960 -0.000 0.000 0.244 381 G C 0.553 175.425 174.900 -0.047 0.000 1.022 381 G CA 0.844 45.801 45.100 -0.239 0.000 0.741 381 G HN 2.291 nan 8.290 nan 0.000 0.508 382 I N -1.943 118.584 120.570 -0.071 0.000 2.607 382 I HA 0.966 5.136 4.170 -0.000 0.000 0.305 382 I C 0.176 176.526 176.117 0.388 0.000 0.995 382 I CA -1.350 59.984 61.300 0.057 0.000 1.148 382 I CB 1.665 39.531 38.000 -0.224 0.000 1.323 382 I HN 0.342 nan 8.210 nan 0.000 0.461 383 H N 1.616 121.070 119.070 0.640 0.000 2.947 383 H HA 0.472 5.028 4.556 -0.001 0.000 0.290 383 H C 0.634 176.107 175.328 0.242 0.000 1.430 383 H CA -0.404 55.806 56.048 0.270 0.000 1.189 383 H CB 0.530 30.203 29.762 -0.148 0.000 1.875 383 H HN 0.338 nan 8.280 nan 0.000 0.568 384 V N -2.870 117.200 119.914 0.260 0.000 2.380 384 V HA -0.237 3.883 4.120 -0.000 0.000 0.251 384 V C 1.358 177.452 176.094 0.001 0.000 1.063 384 V CA 1.830 64.130 62.300 -0.000 0.000 1.055 384 V CB -1.249 30.491 31.823 -0.138 0.000 0.657 384 V HN 0.775 nan 8.190 nan 0.000 0.455 385 W N -0.239 121.193 121.300 0.220 0.000 2.465 385 W HA 0.044 4.704 4.660 -0.000 0.000 0.268 385 W C 2.613 179.082 176.519 -0.083 0.000 1.242 385 W CA 1.071 58.449 57.345 0.056 0.000 1.248 385 W CB -0.474 29.055 29.460 0.114 0.000 1.118 385 W HN 0.349 nan 8.180 nan 0.000 0.587 386 H N -0.799 118.374 119.070 0.172 0.000 2.529 386 H HA -0.012 4.544 4.556 -0.000 0.000 0.277 386 H C 1.898 177.317 175.328 0.151 0.000 0.999 386 H CA 1.076 57.190 56.048 0.111 0.000 1.256 386 H CB -0.409 29.366 29.762 0.022 0.000 1.402 386 H HN 0.184 nan 8.280 nan 0.000 0.566 387 M N 1.462 121.211 119.600 0.248 0.000 2.082 387 M HA -0.079 4.400 4.480 -0.000 0.000 0.258 387 M C -0.943 175.453 176.300 0.160 0.000 1.069 387 M CA 1.635 57.055 55.300 0.200 0.000 1.102 387 M CB -0.846 31.815 32.600 0.101 0.000 1.336 387 M HN 0.056 nan 8.290 nan 0.000 0.404 388 P HA -0.096 nan 4.420 nan 0.000 0.215 388 P C 1.131 178.505 177.300 0.124 0.000 1.153 388 P CA 2.221 65.390 63.100 0.114 0.000 0.853 388 P CB -0.349 31.418 31.700 0.112 0.000 0.788 389 A N -0.755 122.155 122.820 0.151 0.000 1.902 389 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 389 A C 2.220 179.891 177.584 0.146 0.000 1.181 389 A CA 1.462 53.580 52.037 0.135 0.000 0.623 389 A CB -1.662 17.435 19.000 0.161 0.000 0.818 389 A HN 0.106 nan 8.150 nan 0.000 0.443 390 L N -0.629 120.718 121.223 0.208 0.000 2.017 390 L HA -0.153 4.186 4.340 -0.000 0.000 0.208 390 L C 2.505 179.558 176.870 0.305 0.000 1.073 390 L CA 1.138 56.161 54.840 0.305 0.000 0.745 390 L CB -0.632 41.577 42.059 0.249 0.000 0.894 390 L HN 0.231 nan 8.230 nan 0.000 0.432 391 V N -0.348 119.683 119.914 0.196 0.000 2.407 391 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 391 V C 2.576 178.738 176.094 0.114 0.000 1.055 391 V CA 1.770 64.160 62.300 0.151 0.000 1.049 391 V CB -0.523 31.364 31.823 0.106 0.000 0.662 391 V HN 0.488 nan 8.190 nan 0.000 0.455 392 E N 0.262 120.513 120.200 0.085 0.000 2.072 392 E HA -0.158 4.191 4.350 -0.000 0.000 0.190 392 E C 2.165 178.753 176.600 -0.020 0.000 0.982 392 E CA 1.364 57.785 56.400 0.035 0.000 0.803 392 E CB -0.055 29.664 29.700 0.031 0.000 0.755 392 E HN 0.613 nan 8.360 nan 0.000 0.453 393 I N -0.346 120.183 120.570 -0.068 0.000 2.233 393 I HA -0.224 3.945 4.170 -0.000 0.000 0.243 393 I C 1.938 177.821 176.117 -0.389 0.000 1.093 393 I CA 1.065 62.182 61.300 -0.306 0.000 1.380 393 I CB -0.178 37.497 38.000 -0.541 0.000 1.067 393 I HN 0.027 nan 8.210 nan 0.000 0.413 394 F N 0.169 120.116 119.950 -0.006 0.000 2.505 394 F HA 0.346 4.873 4.527 -0.000 0.000 0.289 394 F C 1.640 177.441 175.800 0.002 0.000 1.101 394 F CA 0.622 58.617 58.000 -0.008 0.000 1.446 394 F CB -0.646 38.346 39.000 -0.014 0.000 1.123 394 F HN 0.137 nan 8.300 nan 0.000 0.564 395 G N 0.787 109.689 108.800 0.171 0.000 2.642 395 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.231 395 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.231 395 G C 0.184 175.154 174.900 0.117 0.000 1.338 395 G CA 0.099 45.266 45.100 0.111 0.000 0.883 395 G HN 0.147 nan 8.290 nan 0.000 0.570 396 D N 0.516 120.967 120.400 0.085 0.000 2.144 396 D HA 0.033 4.673 4.640 -0.000 0.000 0.200 396 D C 1.034 177.373 176.300 0.065 0.000 0.978 396 D CA 1.339 55.383 54.000 0.073 0.000 0.833 396 D CB -0.173 40.668 40.800 0.068 0.000 0.961 396 D HN 0.392 nan 8.370 nan 0.000 0.470 397 D N 0.892 121.334 120.400 0.071 0.000 2.688 397 D HA 0.418 5.058 4.640 -0.000 0.000 0.228 397 D C -0.263 176.058 176.300 0.035 0.000 1.116 397 D CA 0.152 54.183 54.000 0.052 0.000 1.023 397 D CB 0.008 40.843 40.800 0.057 0.000 1.100 397 D HN 0.035 nan 8.370 nan 0.000 0.487 398 A N 0.075 122.890 122.820 -0.008 0.000 2.609 398 A HA 0.550 4.869 4.320 -0.000 0.000 0.291 398 A C -1.067 176.433 177.584 -0.140 0.000 1.096 398 A CA -0.757 51.214 52.037 -0.110 0.000 0.684 398 A CB 1.674 20.576 19.000 -0.164 0.000 1.282 398 A HN 0.384 nan 8.150 nan 0.000 0.412 399 C N 1.686 120.848 119.300 -0.230 0.000 2.329 399 C HA 0.763 5.222 4.460 -0.000 0.000 0.329 399 C C -0.727 174.124 174.990 -0.231 0.000 1.275 399 C CA -0.578 58.344 59.018 -0.160 0.000 1.726 399 C CB -1.039 26.613 27.740 -0.148 0.000 2.291 399 C HN 0.636 nan 8.230 nan 0.000 0.514 400 L N 6.426 127.566 121.223 -0.139 0.000 2.280 400 L HA 0.500 4.839 4.340 -0.000 0.000 0.287 400 L C -0.103 176.622 176.870 -0.241 0.000 1.023 400 L CA -0.083 54.617 54.840 -0.233 0.000 0.819 400 L CB 1.063 43.091 42.059 -0.052 0.000 1.212 400 L HN 0.655 nan 8.230 nan 0.000 0.420 401 Q N 3.157 122.681 119.800 -0.460 0.000 2.293 401 Q HA 0.543 4.883 4.340 -0.000 0.000 0.261 401 Q C -1.468 174.179 176.000 -0.589 0.000 0.960 401 Q CA -0.403 55.200 55.803 -0.333 0.000 0.882 401 Q CB 2.279 30.914 28.738 -0.172 0.000 1.275 401 Q HN 0.416 nan 8.270 nan 0.000 0.445 402 F N 1.114 121.041 119.950 -0.039 0.000 2.532 402 F HA 0.350 4.876 4.527 -0.001 0.000 0.365 402 F C 0.876 176.656 175.800 -0.032 0.000 1.112 402 F CA -0.687 57.288 58.000 -0.041 0.000 1.082 402 F CB 1.214 40.194 39.000 -0.035 0.000 1.319 402 F HN 0.742 nan 8.300 nan 0.000 0.457 403 G N 1.575 110.420 108.800 0.075 0.000 2.654 403 G HA2 0.030 3.989 3.960 -0.000 0.000 0.215 403 G HA3 0.030 3.989 3.960 -0.000 0.000 0.215 403 G C 1.784 176.730 174.900 0.076 0.000 1.310 403 G CA 0.643 45.779 45.100 0.059 0.000 0.866 403 G HN 0.738 nan 8.290 nan 0.000 0.558 404 G N 0.727 109.562 108.800 0.058 0.000 2.469 404 G HA2 0.004 3.963 3.960 -0.000 0.000 0.220 404 G HA3 0.004 3.963 3.960 -0.000 0.000 0.220 404 G C 1.716 176.635 174.900 0.031 0.000 1.136 404 G CA 1.424 46.567 45.100 0.072 0.000 0.759 404 G HN 0.732 nan 8.290 nan 0.000 0.562 405 G N -0.829 107.936 108.800 -0.059 0.000 2.625 405 G HA2 0.108 4.068 3.960 -0.000 0.000 0.214 405 G HA3 0.108 4.068 3.960 -0.000 0.000 0.214 405 G C 1.481 176.428 174.900 0.078 0.000 1.132 405 G CA 1.627 46.600 45.100 -0.211 0.000 0.782 405 G HN 0.435 nan 8.290 nan 0.000 0.538 406 T N 0.094 114.746 114.554 0.163 0.000 3.114 406 T HA 0.108 4.458 4.350 -0.000 0.000 0.240 406 T C 1.942 176.761 174.700 0.199 0.000 0.983 406 T CA -0.087 62.112 62.100 0.166 0.000 1.151 406 T CB -0.002 68.924 68.868 0.097 0.000 0.974 406 T HN 0.063 nan 8.240 nan 0.000 0.442 407 L N 1.500 122.819 121.223 0.160 0.000 2.610 407 L HA 0.298 4.638 4.340 -0.000 0.000 0.232 407 L C 2.212 179.202 176.870 0.200 0.000 1.149 407 L CA 0.700 55.623 54.840 0.139 0.000 0.872 407 L CB -0.190 41.915 42.059 0.078 0.000 0.992 407 L HN 0.355 nan 8.230 nan 0.000 0.447 408 G N -3.024 105.967 108.800 0.318 0.000 3.088 408 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.217 408 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.217 408 G C 0.530 175.665 174.900 0.391 0.000 1.159 408 G CA -0.295 45.051 45.100 0.410 0.000 0.760 408 G HN 0.269 nan 8.290 nan 0.000 0.550 409 H N 2.039 121.277 119.070 0.280 0.000 2.964 409 H HA 0.067 4.623 4.556 -0.000 0.000 0.328 409 H C -1.012 174.292 175.328 -0.041 0.000 1.030 409 H CA -1.022 55.047 56.048 0.035 0.000 1.445 409 H CB 1.964 31.753 29.762 0.045 0.000 1.449 409 H HN 0.021 nan 8.280 nan 0.000 0.581 410 P HA -0.157 nan 4.420 nan 0.000 0.221 410 P C 0.693 178.206 177.300 0.356 0.000 1.145 410 P CA 1.189 64.264 63.100 -0.043 0.000 0.795 410 P CB 0.078 31.645 31.700 -0.222 0.000 0.775 411 W N 0.041 121.515 121.300 0.291 0.000 3.220 411 W HA 0.499 5.158 4.660 -0.001 0.000 0.328 411 W C 1.141 177.713 176.519 0.087 0.000 1.205 411 W CA 0.490 57.938 57.345 0.172 0.000 1.773 411 W CB -0.562 28.993 29.460 0.158 0.000 1.086 411 W HN 0.061 nan 8.180 nan 0.000 0.622 412 G N 0.871 109.854 108.800 0.306 0.000 2.483 412 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.521 412 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.521 412 G C 0.577 175.515 174.900 0.063 0.000 1.278 412 G CA -0.162 45.026 45.100 0.146 0.000 0.965 412 G HN -0.043 nan 8.290 nan 0.000 0.504 413 N N -0.035 118.675 118.700 0.017 0.000 2.135 413 N HA 0.080 4.819 4.740 -0.000 0.000 0.186 413 N C 2.726 178.187 175.510 -0.083 0.000 1.027 413 N CA 2.515 55.551 53.050 -0.023 0.000 0.849 413 N CB -0.646 37.819 38.487 -0.036 0.000 1.002 413 N HN 1.059 nan 8.380 nan 0.000 0.425 414 A N 1.414 124.173 122.820 -0.101 0.000 1.877 414 A HA -0.037 4.282 4.320 -0.000 0.000 0.216 414 A C -0.240 177.260 177.584 -0.141 0.000 1.186 414 A CA 1.347 53.307 52.037 -0.128 0.000 0.620 414 A CB -1.533 17.386 19.000 -0.135 0.000 0.822 414 A HN 0.223 nan 8.150 nan 0.000 0.443 415 P HA -0.069 nan 4.420 nan 0.000 0.217 415 P C 1.680 178.618 177.300 -0.603 0.000 1.150 415 P CA 1.629 64.567 63.100 -0.271 0.000 0.832 415 P CB -0.332 31.301 31.700 -0.111 0.000 0.787 416 G N 0.109 108.540 108.800 -0.615 0.000 2.422 416 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.218 416 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.218 416 G C 1.633 176.436 174.900 -0.161 0.000 1.146 416 G CA 0.897 45.783 45.100 -0.355 0.000 0.769 416 G HN 0.317 nan 8.290 nan 0.000 0.547 417 A N 1.179 123.915 122.820 -0.141 0.000 1.873 417 A HA 0.338 4.658 4.320 -0.000 0.000 0.215 417 A C 2.813 180.327 177.584 -0.117 0.000 1.186 417 A CA 2.107 54.080 52.037 -0.106 0.000 0.616 417 A CB -0.792 18.153 19.000 -0.092 0.000 0.823 417 A HN 0.750 nan 8.150 nan 0.000 0.442 418 A N -0.091 122.653 122.820 -0.127 0.000 1.933 418 A HA 0.160 4.480 4.320 -0.000 0.000 0.218 418 A C 2.473 180.001 177.584 -0.093 0.000 1.175 418 A CA 2.029 54.009 52.037 -0.095 0.000 0.628 418 A CB -0.950 18.000 19.000 -0.084 0.000 0.814 418 A HN 1.021 nan 8.150 nan 0.000 0.444 419 A N 0.429 123.169 122.820 -0.133 0.000 1.877 419 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 419 A C 1.898 179.403 177.584 -0.130 0.000 1.186 419 A CA 1.885 53.858 52.037 -0.106 0.000 0.620 419 A CB -0.838 18.127 19.000 -0.059 0.000 0.822 419 A HN 0.704 nan 8.150 nan 0.000 0.443 420 N N -1.344 117.242 118.700 -0.191 0.000 2.216 420 N HA -0.123 4.616 4.740 -0.000 0.000 0.183 420 N C 1.942 177.338 175.510 -0.191 0.000 1.017 420 N CA 1.169 54.025 53.050 -0.323 0.000 0.861 420 N CB -0.107 38.066 38.487 -0.522 0.000 0.986 420 N HN 0.429 nan 8.380 nan 0.000 0.428 421 R N 1.140 121.572 120.500 -0.114 0.000 2.075 421 R HA 0.009 4.349 4.340 -0.000 0.000 0.232 421 R C 1.747 178.031 176.300 -0.027 0.000 1.126 421 R CA 0.994 57.059 56.100 -0.058 0.000 0.963 421 R CB -0.746 29.527 30.300 -0.045 0.000 0.858 421 R HN -0.013 nan 8.270 nan 0.000 0.435 422 V N 1.047 120.956 119.914 -0.008 0.000 2.255 422 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 422 V C 2.378 178.474 176.094 0.003 0.000 1.051 422 V CA 2.106 64.434 62.300 0.047 0.000 1.018 422 V CB -1.081 30.813 31.823 0.118 0.000 0.641 422 V HN 0.563 nan 8.190 nan 0.000 0.445 423 A N -0.212 122.579 122.820 -0.047 0.000 1.892 423 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 423 A C 2.190 179.751 177.584 -0.038 0.000 1.188 423 A CA 2.384 54.379 52.037 -0.070 0.000 0.631 423 A CB -0.669 18.252 19.000 -0.130 0.000 0.822 423 A HN 0.487 nan 8.150 nan 0.000 0.447 424 L N -0.085 121.118 121.223 -0.032 0.000 2.056 424 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 424 L C 2.172 179.045 176.870 0.005 0.000 1.078 424 L CA 2.442 57.285 54.840 0.006 0.000 0.749 424 L CB -0.602 41.468 42.059 0.019 0.000 0.901 424 L HN 0.517 nan 8.230 nan 0.000 0.433 425 E N -0.340 119.857 120.200 -0.006 0.000 2.106 425 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 425 E C 2.169 178.754 176.600 -0.025 0.000 0.984 425 E CA 0.951 57.345 56.400 -0.011 0.000 0.806 425 E CB -0.265 29.428 29.700 -0.011 0.000 0.750 425 E HN 0.666 nan 8.360 nan 0.000 0.458 426 A N 0.990 123.791 122.820 -0.032 0.000 1.877 426 A HA -0.204 4.115 4.320 -0.000 0.000 0.216 426 A C 2.451 180.019 177.584 -0.028 0.000 1.186 426 A CA 1.278 53.286 52.037 -0.048 0.000 0.620 426 A CB -0.894 18.078 19.000 -0.047 0.000 0.822 426 A HN 0.350 nan 8.150 nan 0.000 0.443 427 C N -1.074 118.221 119.300 -0.008 0.000 2.425 427 C HA -0.063 4.396 4.460 -0.000 0.000 0.277 427 C C 3.049 178.047 174.990 0.014 0.000 1.280 427 C CA 1.493 60.518 59.018 0.011 0.000 1.744 427 C CB -1.499 26.260 27.740 0.032 0.000 1.989 427 C HN 0.660 nan 8.230 nan 0.000 0.491 428 T N 0.164 114.725 114.554 0.013 0.000 2.701 428 T HA -0.254 4.095 4.350 -0.000 0.000 0.263 428 T C 1.866 176.568 174.700 0.004 0.000 1.040 428 T CA 1.686 63.795 62.100 0.016 0.000 1.147 428 T CB -0.430 68.448 68.868 0.017 0.000 0.865 428 T HN 0.661 nan 8.240 nan 0.000 0.426 429 Q N 0.720 120.512 119.800 -0.012 0.000 2.061 429 Q HA -0.155 4.184 4.340 -0.000 0.000 0.204 429 Q C 2.480 178.468 176.000 -0.020 0.000 0.984 429 Q CA 1.669 57.458 55.803 -0.023 0.000 0.846 429 Q CB -0.319 28.390 28.738 -0.048 0.000 0.902 429 Q HN 0.539 nan 8.270 nan 0.000 0.421 430 A N 1.362 124.172 122.820 -0.017 0.000 1.877 430 A HA -0.216 4.103 4.320 -0.000 0.000 0.216 430 A C 2.159 179.743 177.584 -0.000 0.000 1.186 430 A CA 1.521 53.552 52.037 -0.011 0.000 0.620 430 A CB -0.758 18.238 19.000 -0.007 0.000 0.822 430 A HN 0.443 nan 8.150 nan 0.000 0.443 431 R N 0.197 120.701 120.500 0.008 0.000 2.083 431 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 431 R C 1.819 178.124 176.300 0.009 0.000 1.137 431 R CA 1.953 58.061 56.100 0.013 0.000 0.951 431 R CB -0.594 29.720 30.300 0.022 0.000 0.851 431 R HN 0.736 nan 8.270 nan 0.000 0.434 432 N N 0.066 118.770 118.700 0.006 0.000 2.289 432 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 432 N C 0.996 176.506 175.510 -0.001 0.000 1.016 432 N CA 1.047 54.100 53.050 0.004 0.000 0.872 432 N CB 0.005 38.493 38.487 0.002 0.000 0.973 432 N HN 0.440 nan 8.380 nan 0.000 0.433 433 E N -0.414 119.783 120.200 -0.005 0.000 2.489 433 E HA 0.050 4.400 4.350 -0.000 0.000 0.193 433 E C 0.941 177.539 176.600 -0.003 0.000 1.057 433 E CA 0.088 56.483 56.400 -0.007 0.000 0.866 433 E CB 0.380 30.072 29.700 -0.014 0.000 0.916 433 E HN 0.450 nan 8.360 nan 0.000 0.500 434 G N 1.776 110.576 108.800 0.001 0.000 2.179 434 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 434 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 434 G C 0.178 175.081 174.900 0.005 0.000 0.990 434 G CA -0.464 44.637 45.100 0.003 0.000 0.646 434 G HN 0.066 nan 8.290 nan 0.000 0.517 435 R N 0.687 121.191 120.500 0.005 0.000 2.543 435 R HA 0.325 4.664 4.340 -0.000 0.000 0.277 435 R C -0.752 175.556 176.300 0.013 0.000 1.074 435 R CA -0.352 55.753 56.100 0.009 0.000 1.076 435 R CB 0.678 30.983 30.300 0.008 0.000 0.993 435 R HN 0.210 nan 8.270 nan 0.000 0.459 436 D N 3.221 123.630 120.400 0.016 0.000 2.347 436 D HA 0.065 4.704 4.640 -0.000 0.000 0.235 436 D C 1.063 177.378 176.300 0.026 0.000 1.149 436 D CA -0.175 53.836 54.000 0.018 0.000 0.850 436 D CB 0.825 41.634 40.800 0.016 0.000 1.061 436 D HN 0.410 nan 8.370 nan 0.000 0.487 437 L N 3.108 124.348 121.223 0.030 0.000 2.201 437 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 437 L C 2.292 179.190 176.870 0.047 0.000 1.105 437 L CA 0.922 55.787 54.840 0.041 0.000 0.775 437 L CB -0.228 41.859 42.059 0.046 0.000 0.913 437 L HN 0.460 nan 8.230 nan 0.000 0.440 438 A N 0.043 122.885 122.820 0.036 0.000 2.015 438 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 438 A C 2.376 179.982 177.584 0.037 0.000 1.163 438 A CA 1.257 53.316 52.037 0.036 0.000 0.646 438 A CB -0.218 18.795 19.000 0.022 0.000 0.806 438 A HN 0.363 nan 8.150 nan 0.000 0.448 439 R N -1.192 119.329 120.500 0.034 0.000 2.221 439 R HA 0.125 4.465 4.340 -0.000 0.000 0.195 439 R C 0.732 177.056 176.300 0.039 0.000 0.956 439 R CA 0.768 56.888 56.100 0.032 0.000 1.064 439 R CB 0.168 30.482 30.300 0.024 0.000 1.049 439 R HN 0.542 nan 8.270 nan 0.000 0.534 440 E N 0.191 120.415 120.200 0.041 0.000 2.538 440 E HA 0.116 4.466 4.350 -0.000 0.000 0.207 440 E C 1.363 177.997 176.600 0.058 0.000 1.002 440 E CA -0.104 56.322 56.400 0.044 0.000 0.952 440 E CB 1.017 30.736 29.700 0.032 0.000 1.031 440 E HN 0.316 nan 8.360 nan 0.000 0.476 441 G N 1.472 110.314 108.800 0.070 0.000 2.446 441 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 441 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 441 G C 1.493 176.465 174.900 0.121 0.000 1.168 441 G CA 0.911 46.065 45.100 0.089 0.000 0.771 441 G HN 0.384 nan 8.290 nan 0.000 0.551 442 G N 0.634 109.525 108.800 0.151 0.000 2.440 442 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.218 442 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.218 442 G C 1.500 176.509 174.900 0.182 0.000 1.154 442 G CA 1.315 46.551 45.100 0.227 0.000 0.767 442 G HN 0.329 nan 8.290 nan 0.000 0.552 443 D N 0.148 120.616 120.400 0.113 0.000 2.117 443 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 443 D C 2.805 179.140 176.300 0.058 0.000 0.987 443 D CA 0.754 54.803 54.000 0.081 0.000 0.829 443 D CB -0.341 40.493 40.800 0.056 0.000 0.961 443 D HN 0.210 nan 8.370 nan 0.000 0.460 444 V N 1.533 121.474 119.914 0.046 0.000 2.295 444 V HA -0.217 3.902 4.120 -0.000 0.000 0.246 444 V C 2.492 178.582 176.094 -0.007 0.000 1.049 444 V CA 0.982 63.291 62.300 0.016 0.000 1.024 444 V CB -0.244 31.587 31.823 0.014 0.000 0.648 444 V HN 0.172 nan 8.190 nan 0.000 0.447 445 I N -0.019 120.541 120.570 -0.016 0.000 2.179 445 I HA -0.198 3.971 4.170 -0.000 0.000 0.242 445 I C 2.666 178.697 176.117 -0.144 0.000 1.088 445 I CA 1.671 62.885 61.300 -0.143 0.000 1.357 445 I CB -1.237 36.591 38.000 -0.288 0.000 1.051 445 I HN 0.314 nan 8.210 nan 0.000 0.409 446 R N 0.400 120.899 120.500 -0.003 0.000 2.081 446 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 446 R C 2.449 178.776 176.300 0.046 0.000 1.131 446 R CA 1.771 57.909 56.100 0.063 0.000 0.960 446 R CB -0.289 30.105 30.300 0.156 0.000 0.856 446 R HN 0.310 nan 8.270 nan 0.000 0.436 447 S N 0.584 116.309 115.700 0.041 0.000 2.399 447 S HA -0.141 4.329 4.470 -0.000 0.000 0.231 447 S C 1.983 176.627 174.600 0.075 0.000 1.022 447 S CA 1.251 59.480 58.200 0.048 0.000 0.983 447 S CB -0.071 63.142 63.200 0.021 0.000 0.803 447 S HN 0.474 nan 8.310 nan 0.000 0.480 448 A N 0.659 123.506 122.820 0.044 0.000 1.930 448 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 448 A C 2.331 179.980 177.584 0.108 0.000 1.176 448 A CA 1.100 53.197 52.037 0.100 0.000 0.632 448 A CB -1.093 17.924 19.000 0.028 0.000 0.819 448 A HN 0.642 nan 8.150 nan 0.000 0.445 449 c N -0.163 118.432 118.600 -0.007 0.000 2.422 449 c HA -0.040 4.529 4.570 -0.000 0.000 0.279 449 c C 2.508 176.612 174.090 0.024 0.000 1.305 449 c CA 1.078 57.386 56.329 -0.035 0.000 1.757 449 c CB -1.167 41.288 42.510 -0.093 0.000 1.962 449 c HN 0.574 nan 8.230 nan 0.000 0.499 450 K N -0.697 119.746 120.400 0.072 0.000 2.155 450 K HA -0.142 4.178 4.320 -0.000 0.000 0.203 450 K C 1.806 178.484 176.600 0.130 0.000 1.052 450 K CA 1.414 57.754 56.287 0.089 0.000 0.948 450 K CB -0.126 32.432 32.500 0.098 0.000 0.728 450 K HN 0.731 nan 8.250 nan 0.000 0.448 451 W N 0.919 122.210 121.300 -0.014 0.000 2.525 451 W HA 0.102 4.762 4.660 -0.001 0.000 0.288 451 W C 0.504 177.021 176.519 -0.003 0.000 1.200 451 W CA 0.408 57.748 57.345 -0.008 0.000 1.349 451 W CB 0.285 29.737 29.460 -0.013 0.000 1.102 451 W HN -0.257 nan 8.180 nan 0.000 0.558 452 S N 1.031 116.641 115.700 -0.150 0.000 2.438 452 S HA 0.309 4.779 4.470 -0.000 0.000 0.316 452 S C -1.588 172.905 174.600 -0.178 0.000 1.084 452 S CA -1.573 56.411 58.200 -0.359 0.000 1.107 452 S CB 1.378 64.488 63.200 -0.151 0.000 0.981 452 S HN -0.129 nan 8.310 nan 0.000 0.466 453 P HA -0.022 nan 4.420 nan 0.000 0.218 453 P C 0.840 178.086 177.300 -0.090 0.000 1.149 453 P CA 0.939 64.042 63.100 0.005 0.000 0.817 453 P CB 0.205 32.006 31.700 0.169 0.000 0.785 454 E N -0.525 119.630 120.200 -0.074 0.000 2.051 454 E HA -0.147 4.202 4.350 -0.000 0.000 0.192 454 E C 1.860 178.355 176.600 -0.175 0.000 0.991 454 E CA 0.773 57.056 56.400 -0.195 0.000 0.799 454 E CB -1.289 28.357 29.700 -0.090 0.000 0.748 454 E HN 0.088 nan 8.360 nan 0.000 0.449 455 L N 0.596 121.742 121.223 -0.128 0.000 2.017 455 L HA -0.073 4.266 4.340 -0.000 0.000 0.208 455 L C 2.059 178.828 176.870 -0.169 0.000 1.073 455 L CA 2.082 56.850 54.840 -0.119 0.000 0.745 455 L CB -1.007 41.002 42.059 -0.084 0.000 0.894 455 L HN 0.123 nan 8.230 nan 0.000 0.432 456 A N -0.410 122.313 122.820 -0.162 0.000 1.908 456 A HA -0.193 4.126 4.320 -0.000 0.000 0.218 456 A C 2.472 179.917 177.584 -0.231 0.000 1.181 456 A CA 2.133 54.081 52.037 -0.147 0.000 0.627 456 A CB -1.259 17.689 19.000 -0.087 0.000 0.818 456 A HN 0.589 nan 8.150 nan 0.000 0.445 457 A N -0.341 122.234 122.820 -0.408 0.000 1.940 457 A HA 0.116 4.436 4.320 -0.000 0.000 0.219 457 A C 2.489 179.660 177.584 -0.688 0.000 1.176 457 A CA 2.276 53.923 52.037 -0.649 0.000 0.631 457 A CB -0.943 17.275 19.000 -1.303 0.000 0.814 457 A HN 1.089 nan 8.150 nan 0.000 0.446 458 A N -1.042 121.451 122.820 -0.544 0.000 1.897 458 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 458 A C 2.293 179.778 177.584 -0.165 0.000 1.181 458 A CA 1.470 53.268 52.037 -0.398 0.000 0.620 458 A CB -1.269 17.757 19.000 0.043 0.000 0.821 458 A HN 0.605 nan 8.150 nan 0.000 0.443 459 c N -0.603 117.924 118.600 -0.121 0.000 2.398 459 c HA -0.136 4.434 4.570 -0.000 0.000 0.276 459 c C 2.659 176.911 174.090 0.270 0.000 1.222 459 c CA 1.279 57.659 56.329 0.086 0.000 1.746 459 c CB -1.165 41.300 42.510 -0.075 0.000 2.039 459 c HN 0.642 nan 8.230 nan 0.000 0.470 460 E N 0.470 120.661 120.200 -0.014 0.000 2.077 460 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 460 E C 2.213 178.706 176.600 -0.177 0.000 0.989 460 E CA 1.280 57.637 56.400 -0.071 0.000 0.800 460 E CB -0.072 29.547 29.700 -0.135 0.000 0.746 460 E HN 0.506 nan 8.360 nan 0.000 0.452 461 V N -0.117 119.554 119.914 -0.404 0.000 2.427 461 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 461 V C 1.474 177.237 176.094 -0.552 0.000 1.051 461 V CA 1.214 63.122 62.300 -0.653 0.000 1.048 461 V CB -0.284 30.799 31.823 -1.234 0.000 0.666 461 V HN 0.399 nan 8.190 nan 0.000 0.456 462 W N -0.662 120.570 121.300 -0.114 0.000 2.862 462 W HA 0.345 5.004 4.660 -0.001 0.000 0.376 462 W C 1.836 178.205 176.519 -0.250 0.000 1.028 462 W CA -0.977 56.207 57.345 -0.268 0.000 1.757 462 W CB -0.249 28.856 29.460 -0.591 0.000 1.128 462 W HN 0.237 nan 8.180 nan 0.000 0.566 463 K N 1.301 121.713 120.400 0.021 0.000 2.077 463 K HA -0.223 4.097 4.320 -0.000 0.000 0.213 463 K C 1.232 177.617 176.600 -0.359 0.000 1.051 463 K CA 1.838 57.932 56.287 -0.322 0.000 0.929 463 K CB 0.247 32.624 32.500 -0.206 0.000 0.715 463 K HN -0.087 nan 8.250 nan 0.000 0.451 464 E N 0.199 120.288 120.200 -0.186 0.000 2.479 464 E HA 0.025 4.375 4.350 -0.000 0.000 0.193 464 E C -0.104 176.426 176.600 -0.116 0.000 1.049 464 E CA 0.108 56.412 56.400 -0.159 0.000 0.870 464 E CB 0.403 30.031 29.700 -0.120 0.000 0.944 464 E HN 0.232 nan 8.360 nan 0.000 0.492 465 I N 2.053 122.583 120.570 -0.068 0.000 2.301 465 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 465 I C 0.353 176.474 176.117 0.008 0.000 1.046 465 I CA -0.103 61.170 61.300 -0.045 0.000 1.282 465 I CB 0.162 38.187 38.000 0.041 0.000 1.409 465 I HN -0.272 nan 8.210 nan 0.000 0.484 466 K N 5.478 125.755 120.400 -0.205 0.000 2.482 466 K HA 0.619 4.939 4.320 -0.000 0.000 0.257 466 K C -1.424 174.947 176.600 -0.382 0.000 0.969 466 K CA -0.592 55.626 56.287 -0.115 0.000 0.842 466 K CB 2.566 35.037 32.500 -0.049 0.000 1.359 466 K HN 0.153 nan 8.250 nan 0.000 0.441 467 F N 1.540 121.586 119.950 0.161 0.000 2.552 467 F HA 0.292 4.818 4.527 -0.000 0.000 0.369 467 F C -0.477 175.392 175.800 0.115 0.000 1.112 467 F CA -0.533 57.578 58.000 0.186 0.000 1.129 467 F CB 1.432 40.580 39.000 0.246 0.000 1.360 467 F HN 0.286 nan 8.300 nan 0.000 0.473 468 E N 3.522 123.698 120.200 -0.041 0.000 2.186 468 E HA 0.551 4.901 4.350 -0.000 0.000 0.255 468 E C -1.254 175.137 176.600 -0.347 0.000 0.881 468 E CA -0.440 55.910 56.400 -0.084 0.000 0.752 468 E CB 1.683 31.326 29.700 -0.094 0.000 1.176 468 E HN 0.308 nan 8.360 nan 0.000 0.421 469 F N 0.407 120.407 119.950 0.084 0.000 2.613 469 F HA 0.205 4.731 4.527 -0.000 0.000 0.314 469 F C 0.135 175.968 175.800 0.054 0.000 1.075 469 F CA -1.227 56.813 58.000 0.067 0.000 0.945 469 F CB 1.404 40.449 39.000 0.075 0.000 1.310 469 F HN 0.230 nan 8.300 nan 0.000 0.467 470 D N 1.042 121.595 120.400 0.256 0.000 2.487 470 D HA 0.099 4.739 4.640 -0.000 0.000 0.243 470 D C -0.415 175.970 176.300 0.142 0.000 1.154 470 D CA 0.524 54.617 54.000 0.154 0.000 0.876 470 D CB 0.733 41.607 40.800 0.123 0.000 1.161 470 D HN 0.414 nan 8.370 nan 0.000 0.478 471 T N 5.844 120.463 114.554 0.109 0.000 2.814 471 T HA 0.103 4.452 4.350 -0.000 0.000 0.297 471 T C 1.486 176.233 174.700 0.077 0.000 0.956 471 T CA -0.764 61.393 62.100 0.094 0.000 1.123 471 T CB 0.755 69.676 68.868 0.087 0.000 0.902 471 T HN 0.280 nan 8.240 nan 0.000 0.528 472 I N 1.774 122.384 120.570 0.067 0.000 2.270 472 I HA 0.012 4.182 4.170 -0.000 0.000 0.239 472 I C 1.426 177.588 176.117 0.075 0.000 1.080 472 I CA 0.873 62.208 61.300 0.059 0.000 1.383 472 I CB -0.806 37.215 38.000 0.036 0.000 1.097 472 I HN 0.579 nan 8.210 nan 0.000 0.420 473 D N 2.832 123.283 120.400 0.086 0.000 2.541 473 D HA 0.045 4.685 4.640 -0.000 0.000 0.231 473 D C 0.038 176.425 176.300 0.145 0.000 1.163 473 D CA 0.249 54.325 54.000 0.126 0.000 1.077 473 D CB -0.259 40.620 40.800 0.130 0.000 1.110 473 D HN 0.069 nan 8.370 nan 0.000 0.499 474 K N 1.970 122.442 120.400 0.120 0.000 2.098 474 K HA 0.359 4.679 4.320 -0.000 0.000 0.261 474 K C 0.538 177.205 176.600 0.111 0.000 0.987 474 K CA -0.859 55.490 56.287 0.103 0.000 0.916 474 K CB 1.388 33.933 32.500 0.075 0.000 1.039 474 K HN 0.292 nan 8.250 nan 0.000 0.455 475 L N 0.000 121.277 121.223 0.090 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.883 54.840 0.072 0.000 0.813 475 L CB 0.000 42.078 42.059 0.032 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502