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 1pqp_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMDR MSQENDFENL NPVFFTTSQA XXXXXXXXXX DATA SEQUENCE XXXXLKSAFD IEELKKLDII VTCQGGDYTN EVYPKLKATG WDGYWVDAAS DATA SEQUENCE ALRMKDDAII VLDPVNQHVI SEGLKKGIKT FVGGNSTVSL MLMAIGGLFE DATA SEQUENCE KDLVEWISVA TYQAASGAGA KNMRELLSQM GLLEQAVSSE LKDPASSILD DATA SEQUENCE IERKVTAKMR ADNFPTDNFG AALGGSLIPW IDKLLPETGQ TKEEWKGYAE DATA SEQUENCE TNKILGLSDN PIPVDGLCVR IGALRCHSQA FTIKLKKDLP LEEIEQIIAS DATA SEQUENCE HNEWVKVIPN DKEITLRELT PAKVTGTLSV PVGRLRKLAM GPEYLAAFTV DATA SEQUENCE GDQLLWGAAE PVRRILKQLV A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.317 176.300 0.029 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2 K N 1.760 122.172 120.400 0.020 0.000 2.382 2 K HA 0.252 4.574 4.320 0.003 0.000 0.275 2 K C -0.854 175.771 176.600 0.041 0.000 1.009 2 K CA 0.180 56.482 56.287 0.025 0.000 0.970 2 K CB 0.011 32.509 32.500 -0.004 0.000 0.934 2 K HN 0.464 nan 8.250 nan 0.000 0.479 3 N N 1.093 119.827 118.700 0.057 0.000 2.420 3 N HA 0.165 4.907 4.740 0.003 0.000 0.249 3 N C -1.080 174.459 175.510 0.049 0.000 1.033 3 N CA -0.276 52.815 53.050 0.069 0.000 0.944 3 N CB 1.009 39.550 38.487 0.089 0.000 1.113 3 N HN 0.099 nan 8.380 nan 0.000 0.502 4 V N 1.030 120.952 119.914 0.013 0.000 2.409 4 V HA 0.678 4.799 4.120 0.003 0.000 0.291 4 V C 0.798 176.743 176.094 -0.247 0.000 1.020 4 V CA -1.008 61.201 62.300 -0.152 0.000 0.848 4 V CB 1.497 33.189 31.823 -0.218 0.000 0.990 4 V HN 0.656 nan 8.190 nan 0.000 0.430 5 G N 3.339 111.957 108.800 -0.302 0.000 2.367 5 G HA2 0.671 4.632 3.960 0.003 0.000 0.314 5 G HA3 0.671 4.632 3.960 0.003 0.000 0.314 5 G C -1.225 173.345 174.900 -0.550 0.000 1.130 5 G CA -0.258 44.757 45.100 -0.141 0.000 0.864 5 G HN 0.411 nan 8.290 nan 0.000 0.486 6 F N 0.887 120.775 119.950 -0.104 0.000 2.467 6 F HA 0.565 5.093 4.527 0.001 0.000 0.336 6 F C 0.285 176.183 175.800 0.163 0.000 1.123 6 F CA -0.717 57.226 58.000 -0.094 0.000 0.964 6 F CB 2.114 40.951 39.000 -0.272 0.000 1.136 6 F HN 0.168 nan 8.300 nan 0.000 0.447 7 I N 1.444 122.124 120.570 0.184 0.000 2.569 7 I HA 0.583 4.755 4.170 0.003 0.000 0.296 7 I C 0.703 176.846 176.117 0.043 0.000 1.028 7 I CA -1.019 60.325 61.300 0.074 0.000 1.082 7 I CB 1.957 39.758 38.000 -0.331 0.000 1.264 7 I HN 0.785 nan 8.210 nan 0.000 0.429 8 G N 4.209 112.963 108.800 -0.077 0.000 2.179 8 G HA2 -0.219 3.743 3.960 0.003 0.000 0.257 8 G HA3 -0.219 3.743 3.960 0.003 0.000 0.257 8 G C 0.550 175.413 174.900 -0.062 0.000 1.010 8 G CA 0.598 45.605 45.100 -0.156 0.000 0.736 8 G HN 0.936 nan 8.290 nan 0.000 0.513 9 W N -0.679 120.664 121.300 0.072 0.000 2.699 9 W HA 0.173 4.836 4.660 0.006 0.000 0.249 9 W C 1.405 177.962 176.519 0.064 0.000 1.280 9 W CA 0.616 58.031 57.345 0.117 0.000 1.345 9 W CB -0.531 29.076 29.460 0.245 0.000 1.128 9 W HN 0.370 nan 8.180 nan 0.000 0.642 10 R N 0.622 120.759 120.500 -0.605 0.000 2.280 10 R HA 0.152 4.494 4.340 0.003 0.000 0.195 10 R C 1.730 177.880 176.300 -0.249 0.000 0.935 10 R CA 0.421 56.203 56.100 -0.529 0.000 1.033 10 R CB 0.008 29.810 30.300 -0.830 0.000 0.964 10 R HN 0.054 nan 8.270 nan 0.000 0.489 11 G N 0.372 109.062 108.800 -0.184 0.000 2.570 11 G HA2 -0.048 3.913 3.960 0.003 0.000 0.276 11 G HA3 -0.048 3.913 3.960 0.003 0.000 0.276 11 G C 0.641 175.508 174.900 -0.054 0.000 1.346 11 G CA -0.481 44.555 45.100 -0.106 0.000 1.034 11 G HN 0.059 nan 8.290 nan 0.000 0.512 12 M N -0.804 118.775 119.600 -0.035 0.000 2.077 12 M HA -0.101 4.381 4.480 0.003 0.000 0.261 12 M C 2.468 178.766 176.300 -0.004 0.000 1.070 12 M CA 1.587 56.876 55.300 -0.017 0.000 1.125 12 M CB -0.305 32.288 32.600 -0.013 0.000 1.339 12 M HN 0.236 nan 8.290 nan 0.000 0.409 13 V N 0.446 120.361 119.914 0.000 0.000 2.295 13 V HA -0.195 3.926 4.120 0.003 0.000 0.246 13 V C 2.601 178.713 176.094 0.030 0.000 1.049 13 V CA 2.084 64.389 62.300 0.009 0.000 1.024 13 V CB -1.796 30.035 31.823 0.014 0.000 0.648 13 V HN 0.756 nan 8.190 nan 0.000 0.447 14 G N -0.617 108.208 108.800 0.042 0.000 2.442 14 G HA2 -0.251 3.711 3.960 0.003 0.000 0.219 14 G HA3 -0.251 3.711 3.960 0.003 0.000 0.219 14 G C 1.840 176.816 174.900 0.126 0.000 1.141 14 G CA 1.253 46.415 45.100 0.104 0.000 0.763 14 G HN 0.515 nan 8.290 nan 0.000 0.554 15 S N -0.183 115.561 115.700 0.072 0.000 2.368 15 S HA -0.097 4.375 4.470 0.003 0.000 0.225 15 S C 2.510 177.145 174.600 0.058 0.000 1.030 15 S CA 1.115 59.359 58.200 0.073 0.000 0.999 15 S CB -0.213 63.003 63.200 0.027 0.000 0.844 15 S HN 0.194 nan 8.310 nan 0.000 0.459 16 V N 1.883 121.815 119.914 0.029 0.000 2.343 16 V HA -0.128 3.994 4.120 0.003 0.000 0.247 16 V C 2.243 178.341 176.094 0.006 0.000 1.051 16 V CA 1.486 63.788 62.300 0.004 0.000 1.036 16 V CB -0.651 31.159 31.823 -0.022 0.000 0.654 16 V HN 0.372 nan 8.190 nan 0.000 0.451 17 L N -0.489 120.750 121.223 0.027 0.000 2.012 17 L HA -0.179 4.162 4.340 0.003 0.000 0.210 17 L C 2.350 179.255 176.870 0.058 0.000 1.073 17 L CA 2.157 57.014 54.840 0.029 0.000 0.748 17 L CB -0.580 41.522 42.059 0.072 0.000 0.891 17 L HN 0.166 nan 8.230 nan 0.000 0.431 18 M N -0.641 119.036 119.600 0.127 0.000 2.108 18 M HA -0.195 4.287 4.480 0.003 0.000 0.261 18 M C 1.987 178.376 176.300 0.149 0.000 1.066 18 M CA 1.555 56.969 55.300 0.191 0.000 1.107 18 M CB -1.427 31.306 32.600 0.221 0.000 1.356 18 M HN 0.318 nan 8.290 nan 0.000 0.406 19 D N -0.255 120.195 120.400 0.082 0.000 2.097 19 D HA -0.118 4.524 4.640 0.003 0.000 0.195 19 D C 2.209 178.527 176.300 0.029 0.000 0.989 19 D CA 0.932 54.962 54.000 0.050 0.000 0.827 19 D CB -0.234 40.580 40.800 0.023 0.000 0.966 19 D HN 0.207 nan 8.370 nan 0.000 0.456 20 R N 0.216 120.712 120.500 -0.006 0.000 2.081 20 R HA 0.018 4.360 4.340 0.003 0.000 0.235 20 R C 2.389 178.659 176.300 -0.049 0.000 1.131 20 R CA 0.567 56.639 56.100 -0.047 0.000 0.960 20 R CB -0.581 29.658 30.300 -0.101 0.000 0.856 20 R HN 0.336 nan 8.270 nan 0.000 0.436 21 M N 0.005 119.573 119.600 -0.055 0.000 2.175 21 M HA -0.124 4.358 4.480 0.003 0.000 0.264 21 M C 2.231 178.518 176.300 -0.022 0.000 1.063 21 M CA 1.493 56.699 55.300 -0.157 0.000 1.119 21 M CB -0.142 32.203 32.600 -0.424 0.000 1.377 21 M HN 0.022 nan 8.290 nan 0.000 0.415 22 S N 0.207 116.002 115.700 0.159 0.000 2.345 22 S HA -0.167 4.305 4.470 0.003 0.000 0.220 22 S C 1.785 176.434 174.600 0.082 0.000 1.031 22 S CA 1.163 59.480 58.200 0.195 0.000 0.996 22 S CB -0.361 62.927 63.200 0.148 0.000 0.882 22 S HN 0.490 nan 8.310 nan 0.000 0.445 23 Q N 0.466 120.291 119.800 0.042 0.000 2.152 23 Q HA -0.134 4.207 4.340 0.003 0.000 0.206 23 Q C 1.313 177.321 176.000 0.013 0.000 0.985 23 Q CA 1.069 56.884 55.803 0.020 0.000 0.863 23 Q CB -0.094 28.647 28.738 0.006 0.000 0.904 23 Q HN 0.389 nan 8.270 nan 0.000 0.422 24 E N -0.090 120.109 120.200 -0.002 0.000 2.479 24 E HA 0.048 4.400 4.350 0.003 0.000 0.193 24 E C -0.392 176.203 176.600 -0.009 0.000 1.049 24 E CA -0.047 56.347 56.400 -0.011 0.000 0.870 24 E CB -0.086 29.593 29.700 -0.036 0.000 0.944 24 E HN 0.388 nan 8.360 nan 0.000 0.492 25 N N 1.577 120.287 118.700 0.017 0.000 2.735 25 N HA -0.180 4.562 4.740 0.003 0.000 0.248 25 N C -0.116 175.394 175.510 -0.001 0.000 1.083 25 N CA 0.333 53.407 53.050 0.040 0.000 0.703 25 N CB -0.452 38.054 38.487 0.031 0.000 1.005 25 N HN 0.084 nan 8.380 nan 0.000 0.550 26 D N -0.327 120.014 120.400 -0.099 0.000 2.264 26 D HA -0.063 4.579 4.640 0.003 0.000 0.208 26 D C 1.291 177.447 176.300 -0.240 0.000 0.966 26 D CA 0.945 54.817 54.000 -0.213 0.000 0.864 26 D CB -0.109 40.481 40.800 -0.350 0.000 0.933 26 D HN 0.473 nan 8.370 nan 0.000 0.499 27 F N 1.200 121.138 119.950 -0.019 0.000 2.604 27 F HA 0.025 4.553 4.527 0.001 0.000 0.298 27 F C 2.084 177.882 175.800 -0.004 0.000 1.131 27 F CA 0.488 58.478 58.000 -0.016 0.000 1.457 27 F CB -0.102 38.874 39.000 -0.040 0.000 1.095 27 F HN -0.037 nan 8.300 nan 0.000 0.574 28 E N 0.117 120.396 120.200 0.130 0.000 2.274 28 E HA -0.143 4.208 4.350 0.003 0.000 0.194 28 E C 0.809 177.440 176.600 0.051 0.000 0.996 28 E CA 1.043 57.491 56.400 0.081 0.000 0.840 28 E CB -0.341 29.389 29.700 0.051 0.000 0.772 28 E HN 0.538 nan 8.360 nan 0.000 0.491 29 N N 0.327 119.045 118.700 0.031 0.000 2.268 29 N HA 0.134 4.876 4.740 0.003 0.000 0.204 29 N C -0.621 174.901 175.510 0.019 0.000 1.124 29 N CA 0.043 53.100 53.050 0.012 0.000 0.838 29 N CB 0.373 38.851 38.487 -0.014 0.000 0.994 29 N HN 0.008 nan 8.380 nan 0.000 0.489 30 L N -3.975 117.280 121.223 0.054 0.000 2.600 30 L HA 0.473 4.815 4.340 0.003 0.000 0.257 30 L C -1.125 175.814 176.870 0.115 0.000 1.048 30 L CA -1.122 53.760 54.840 0.070 0.000 0.869 30 L CB 1.423 43.522 42.059 0.066 0.000 1.482 30 L HN -0.133 nan 8.230 nan 0.000 0.408 31 N N 1.664 120.429 118.700 0.108 0.000 2.546 31 N HA 0.424 5.166 4.740 0.003 0.000 0.238 31 N C -2.642 172.956 175.510 0.146 0.000 0.984 31 N CA -1.558 51.559 53.050 0.112 0.000 0.935 31 N CB 1.490 40.023 38.487 0.076 0.000 1.122 31 N HN 0.612 nan 8.380 nan 0.000 0.510 32 P HA 0.136 nan 4.420 nan 0.000 0.280 32 P C -0.849 176.468 177.300 0.027 0.000 1.244 32 P CA -0.279 62.934 63.100 0.188 0.000 0.784 32 P CB 1.822 33.620 31.700 0.164 0.000 0.913 33 V N 4.696 124.578 119.914 -0.053 0.000 2.483 33 V HA 0.352 4.474 4.120 0.003 0.000 0.297 33 V C -0.242 175.716 176.094 -0.226 0.000 1.027 33 V CA -0.425 61.828 62.300 -0.078 0.000 0.855 33 V CB 1.030 32.858 31.823 0.009 0.000 0.995 33 V HN 0.349 nan 8.190 nan 0.000 0.424 34 F N 4.560 124.407 119.950 -0.171 0.000 2.421 34 F HA 0.727 5.254 4.527 0.001 0.000 0.337 34 F C -0.128 175.577 175.800 -0.159 0.000 1.105 34 F CA -0.512 57.392 58.000 -0.159 0.000 1.049 34 F CB 1.175 39.844 39.000 -0.552 0.000 1.139 34 F HN 0.277 nan 8.300 nan 0.000 0.479 35 F N 0.329 120.469 119.950 0.318 0.000 2.575 35 F HA 0.708 5.237 4.527 0.003 0.000 0.330 35 F C 0.327 176.308 175.800 0.302 0.000 1.056 35 F CA -0.816 57.320 58.000 0.226 0.000 0.964 35 F CB 2.178 41.218 39.000 0.065 0.000 1.258 35 F HN 0.331 nan 8.300 nan 0.000 0.484 36 T N -1.448 113.280 114.554 0.289 0.000 2.868 36 T HA 0.388 4.740 4.350 0.003 0.000 0.306 36 T C 0.304 175.004 174.700 -0.000 0.000 1.224 36 T CA -0.066 62.107 62.100 0.122 0.000 1.012 36 T CB 1.403 70.349 68.868 0.130 0.000 1.221 36 T HN 0.766 nan 8.240 nan 0.000 0.499 37 T N -0.578 113.949 114.554 -0.045 0.000 3.040 37 T HA 0.296 4.648 4.350 0.003 0.000 0.250 37 T C 1.057 175.849 174.700 0.153 0.000 1.058 37 T CA 0.097 62.209 62.100 0.020 0.000 0.988 37 T CB 0.081 68.994 68.868 0.074 0.000 0.993 37 T HN 0.464 nan 8.240 nan 0.000 0.519 38 S N 0.747 116.496 115.700 0.081 0.000 2.585 38 S HA 0.199 4.671 4.470 0.003 0.000 0.273 38 S C 0.752 175.409 174.600 0.095 0.000 1.339 38 S CA -0.437 57.810 58.200 0.078 0.000 1.028 38 S CB 0.965 64.187 63.200 0.037 0.000 0.906 38 S HN 0.504 nan 8.310 nan 0.000 0.528 39 Q N 1.334 121.184 119.800 0.084 0.000 2.219 39 Q HA 0.326 4.668 4.340 0.003 0.000 0.209 39 Q C 0.384 176.416 176.000 0.052 0.000 0.854 39 Q CA -0.299 55.551 55.803 0.077 0.000 0.960 39 Q CB 0.807 29.590 28.738 0.076 0.000 1.116 39 Q HN 0.761 nan 8.270 nan 0.000 0.500 56 K N 1.087 121.319 120.400 -0.281 0.000 2.109 56 K HA 0.485 4.807 4.320 0.003 0.000 0.243 56 K C 0.081 176.684 176.600 0.005 0.000 1.006 56 K CA -0.612 55.519 56.287 -0.259 0.000 0.917 56 K CB 1.896 34.003 32.500 -0.655 0.000 1.081 56 K HN 0.468 nan 8.250 nan 0.000 0.468 57 S N 0.346 116.137 115.700 0.151 0.000 2.505 57 S HA 0.221 4.693 4.470 0.003 0.000 0.276 57 S C 1.022 175.814 174.600 0.321 0.000 1.274 57 S CA -0.206 58.122 58.200 0.215 0.000 1.053 57 S CB 0.511 63.837 63.200 0.210 0.000 0.919 57 S HN 0.544 nan 8.310 nan 0.000 0.490 58 A N 4.602 127.475 122.820 0.087 0.000 2.216 58 A HA 0.144 4.465 4.320 0.003 0.000 0.214 58 A C 0.826 178.305 177.584 -0.175 0.000 1.160 58 A CA 0.806 52.779 52.037 -0.107 0.000 0.725 58 A CB -0.557 18.177 19.000 -0.442 0.000 0.784 58 A HN 0.883 nan 8.150 nan 0.000 0.472 59 F N -0.754 119.348 119.950 0.254 0.000 2.668 59 F HA 0.205 4.734 4.527 0.003 0.000 0.301 59 F C 0.417 176.284 175.800 0.111 0.000 1.106 59 F CA -0.668 57.430 58.000 0.162 0.000 1.289 59 F CB 0.643 39.724 39.000 0.136 0.000 1.006 59 F HN 0.054 nan 8.300 nan 0.000 0.535 60 D N 1.882 122.429 120.400 0.245 0.000 2.500 60 D HA 0.126 4.768 4.640 0.003 0.000 0.219 60 D C 1.499 177.871 176.300 0.119 0.000 1.137 60 D CA 0.064 54.175 54.000 0.185 0.000 0.946 60 D CB 0.457 41.377 40.800 0.199 0.000 1.022 60 D HN 0.039 nan 8.370 nan 0.000 0.518 61 I N 2.135 122.748 120.570 0.073 0.000 2.236 61 I HA -0.247 3.925 4.170 0.003 0.000 0.249 61 I C 1.964 178.080 176.117 -0.002 0.000 1.102 61 I CA 1.123 62.424 61.300 0.002 0.000 1.365 61 I CB -0.485 37.511 38.000 -0.008 0.000 1.051 61 I HN 0.429 nan 8.210 nan 0.000 0.420 62 E N 0.421 120.645 120.200 0.040 0.000 2.150 62 E HA -0.177 4.175 4.350 0.003 0.000 0.193 62 E C 2.062 178.704 176.600 0.071 0.000 0.985 62 E CA 0.711 57.141 56.400 0.049 0.000 0.814 62 E CB -0.125 29.609 29.700 0.056 0.000 0.752 62 E HN 0.463 nan 8.360 nan 0.000 0.466 63 E N 0.502 120.767 120.200 0.109 0.000 2.107 63 E HA -0.046 4.305 4.350 0.003 0.000 0.191 63 E C 2.299 179.010 176.600 0.187 0.000 0.982 63 E CA 0.360 56.867 56.400 0.177 0.000 0.809 63 E CB -0.065 29.800 29.700 0.274 0.000 0.756 63 E HN 0.289 nan 8.360 nan 0.000 0.459 64 L N 0.439 121.691 121.223 0.049 0.000 2.156 64 L HA -0.060 4.281 4.340 0.003 0.000 0.208 64 L C 2.552 179.265 176.870 -0.262 0.000 1.095 64 L CA 0.776 55.510 54.840 -0.177 0.000 0.770 64 L CB -0.269 41.582 42.059 -0.347 0.000 0.914 64 L HN 0.013 nan 8.230 nan 0.000 0.439 65 K N 1.521 121.821 120.400 -0.165 0.000 2.209 65 K HA -0.170 4.152 4.320 0.003 0.000 0.204 65 K C 1.850 178.573 176.600 0.206 0.000 1.048 65 K CA 1.131 57.386 56.287 -0.054 0.000 0.940 65 K CB 0.140 32.671 32.500 0.051 0.000 0.729 65 K HN 0.362 nan 8.250 nan 0.000 0.451 66 K N 0.205 120.696 120.400 0.152 0.000 2.444 66 K HA 0.079 4.401 4.320 0.003 0.000 0.193 66 K C 0.193 176.921 176.600 0.213 0.000 1.024 66 K CA 0.033 56.429 56.287 0.181 0.000 1.077 66 K CB 0.067 32.646 32.500 0.131 0.000 0.833 66 K HN 0.044 nan 8.250 nan 0.000 0.517 67 L N 1.656 123.033 121.223 0.257 0.000 2.379 67 L HA 0.149 4.490 4.340 0.003 0.000 0.269 67 L C 0.735 177.851 176.870 0.411 0.000 1.084 67 L CA -0.662 54.337 54.840 0.264 0.000 0.802 67 L CB 1.136 43.299 42.059 0.173 0.000 1.175 67 L HN 0.046 nan 8.230 nan 0.000 0.448 68 D N 1.554 122.114 120.400 0.267 0.000 2.240 68 D HA 0.205 4.846 4.640 0.003 0.000 0.206 68 D C 0.269 176.755 176.300 0.309 0.000 0.963 68 D CA 1.321 55.464 54.000 0.238 0.000 0.863 68 D CB 0.780 41.662 40.800 0.138 0.000 0.973 68 D HN 0.271 nan 8.370 nan 0.000 0.501 69 I N 0.660 121.378 120.570 0.248 0.000 2.722 69 I HA 0.317 4.488 4.170 0.003 0.000 0.295 69 I C -0.878 175.259 176.117 0.034 0.000 1.161 69 I CA -0.666 60.758 61.300 0.207 0.000 1.032 69 I CB 3.129 41.137 38.000 0.013 0.000 1.244 69 I HN -0.325 nan 8.210 nan 0.000 0.421 70 I N 5.547 126.121 120.570 0.007 0.000 2.436 70 I HA 0.429 4.601 4.170 0.003 0.000 0.289 70 I C -0.861 174.952 176.117 -0.507 0.000 1.010 70 I CA -0.918 60.172 61.300 -0.350 0.000 1.098 70 I CB 2.106 39.807 38.000 -0.500 0.000 1.266 70 I HN 0.145 nan 8.210 nan 0.000 0.434 71 V N 4.786 124.349 119.914 -0.585 0.000 2.334 71 V HA 0.381 4.502 4.120 0.003 0.000 0.281 71 V C 0.035 175.913 176.094 -0.360 0.000 1.016 71 V CA -0.383 61.645 62.300 -0.453 0.000 0.832 71 V CB 1.586 33.142 31.823 -0.446 0.000 0.999 71 V HN 0.772 nan 8.190 nan 0.000 0.439 72 T N 3.845 118.190 114.554 -0.349 0.000 2.824 72 T HA 0.353 4.704 4.350 0.003 0.000 0.282 72 T C 0.061 174.720 174.700 -0.067 0.000 0.993 72 T CA -0.234 61.735 62.100 -0.218 0.000 0.967 72 T CB 0.997 69.720 68.868 -0.241 0.000 0.960 72 T HN 0.703 nan 8.240 nan 0.000 0.441 73 C N 4.127 123.411 119.300 -0.027 0.000 3.240 73 C HA 0.285 4.747 4.460 0.003 0.000 0.271 73 C C 1.867 176.846 174.990 -0.017 0.000 1.534 73 C CA -0.482 58.542 59.018 0.010 0.000 1.796 73 C CB -0.635 27.128 27.740 0.039 0.000 2.892 73 C HN 0.969 nan 8.230 nan 0.000 0.566 74 Q N 1.897 121.658 119.800 -0.066 0.000 2.123 74 Q HA 0.324 4.666 4.340 0.003 0.000 0.199 74 Q C 1.066 177.083 176.000 0.028 0.000 0.966 74 Q CA 1.908 57.642 55.803 -0.116 0.000 0.845 74 Q CB 0.036 28.512 28.738 -0.436 0.000 0.907 74 Q HN 0.686 nan 8.270 nan 0.000 0.439 75 G N -3.266 105.605 108.800 0.118 0.000 2.354 75 G HA2 0.135 4.096 3.960 0.003 0.000 0.582 75 G HA3 0.135 4.096 3.960 0.003 0.000 0.582 75 G C 0.408 175.429 174.900 0.203 0.000 1.316 75 G CA -0.279 44.907 45.100 0.142 0.000 0.995 75 G HN 0.291 nan 8.290 nan 0.000 0.573 76 G N -0.664 108.226 108.800 0.149 0.000 2.404 76 G HA2 0.004 3.966 3.960 0.003 0.000 0.215 76 G HA3 0.004 3.966 3.960 0.003 0.000 0.215 76 G C 1.212 176.194 174.900 0.136 0.000 1.174 76 G CA 2.010 47.189 45.100 0.132 0.000 0.780 76 G HN 0.670 nan 8.290 nan 0.000 0.537 77 D N -0.434 120.049 120.400 0.139 0.000 2.123 77 D HA -0.145 4.497 4.640 0.003 0.000 0.196 77 D C 1.916 178.326 176.300 0.183 0.000 0.992 77 D CA 0.932 55.011 54.000 0.131 0.000 0.833 77 D CB -0.393 40.481 40.800 0.124 0.000 0.954 77 D HN 0.390 nan 8.370 nan 0.000 0.455 78 Y N 1.729 122.116 120.300 0.146 0.000 2.114 78 Y HA -0.250 4.302 4.550 0.002 0.000 0.284 78 Y C 2.398 178.431 175.900 0.222 0.000 1.143 78 Y CA 2.051 60.276 58.100 0.208 0.000 1.135 78 Y CB -0.689 37.877 38.460 0.178 0.000 0.980 78 Y HN -0.117 nan 8.280 nan 0.000 0.499 79 T N 1.287 115.984 114.554 0.238 0.000 2.607 79 T HA -0.241 4.110 4.350 0.003 0.000 0.267 79 T C 1.623 176.312 174.700 -0.018 0.000 1.049 79 T CA 1.786 63.986 62.100 0.167 0.000 1.162 79 T CB -0.506 68.499 68.868 0.229 0.000 0.863 79 T HN 0.422 nan 8.240 nan 0.000 0.424 80 N N 0.778 119.483 118.700 0.009 0.000 2.348 80 N HA -0.116 4.626 4.740 0.003 0.000 0.185 80 N C 1.844 177.337 175.510 -0.028 0.000 1.019 80 N CA 0.951 53.996 53.050 -0.008 0.000 0.880 80 N CB -0.190 38.303 38.487 0.009 0.000 0.965 80 N HN 0.658 nan 8.380 nan 0.000 0.437 81 E N 0.459 120.629 120.200 -0.050 0.000 2.024 81 E HA -0.029 4.323 4.350 0.003 0.000 0.190 81 E C 1.757 178.292 176.600 -0.110 0.000 0.974 81 E CA 0.539 56.900 56.400 -0.065 0.000 0.810 81 E CB 0.167 29.848 29.700 -0.032 0.000 0.775 81 E HN -0.057 nan 8.360 nan 0.000 0.453 82 V N 0.828 120.614 119.914 -0.214 0.000 2.453 82 V HA -0.197 3.924 4.120 0.003 0.000 0.247 82 V C 2.159 178.134 176.094 -0.198 0.000 1.048 82 V CA 1.735 63.913 62.300 -0.204 0.000 1.049 82 V CB -0.728 30.872 31.823 -0.371 0.000 0.672 82 V HN 0.390 nan 8.190 nan 0.000 0.457 83 Y N 2.100 122.125 120.300 -0.458 0.000 2.030 83 Y HA -0.215 4.336 4.550 0.002 0.000 0.274 83 Y C 0.099 175.755 175.900 -0.408 0.000 1.153 83 Y CA 2.461 60.121 58.100 -0.733 0.000 1.115 83 Y CB -1.793 36.101 38.460 -0.943 0.000 0.969 83 Y HN 0.289 nan 8.280 nan 0.000 0.488 84 P HA -0.218 nan 4.420 nan 0.000 0.215 84 P C 1.302 178.452 177.300 -0.250 0.000 1.157 84 P CA 2.739 65.671 63.100 -0.281 0.000 0.874 84 P CB -0.095 31.532 31.700 -0.121 0.000 0.790 85 K N -1.029 119.264 120.400 -0.179 0.000 2.044 85 K HA -0.183 4.139 4.320 0.003 0.000 0.210 85 K C 2.024 178.539 176.600 -0.141 0.000 1.049 85 K CA 1.306 57.516 56.287 -0.129 0.000 0.927 85 K CB -1.015 31.432 32.500 -0.088 0.000 0.713 85 K HN 0.060 nan 8.250 nan 0.000 0.443 86 L N 1.964 123.069 121.223 -0.198 0.000 2.017 86 L HA -0.174 4.168 4.340 0.003 0.000 0.208 86 L C 1.685 178.508 176.870 -0.080 0.000 1.073 86 L CA 1.865 56.593 54.840 -0.187 0.000 0.745 86 L CB -0.234 41.634 42.059 -0.318 0.000 0.894 86 L HN 0.008 nan 8.230 nan 0.000 0.432 87 K N -0.550 119.736 120.400 -0.191 0.000 2.365 87 K HA 0.055 4.376 4.320 0.003 0.000 0.199 87 K C 1.794 178.340 176.600 -0.090 0.000 1.045 87 K CA 0.784 57.005 56.287 -0.109 0.000 0.962 87 K CB -0.185 32.100 32.500 -0.358 0.000 0.759 87 K HN 0.448 nan 8.250 nan 0.000 0.469 88 A N 1.414 124.167 122.820 -0.112 0.000 2.206 88 A HA -0.066 4.256 4.320 0.003 0.000 0.211 88 A C 1.942 179.508 177.584 -0.031 0.000 1.158 88 A CA 1.346 53.338 52.037 -0.075 0.000 0.761 88 A CB -0.457 18.493 19.000 -0.083 0.000 0.801 88 A HN 0.367 nan 8.150 nan 0.000 0.473 89 T N -5.794 108.759 114.554 -0.002 0.000 3.069 89 T HA 0.438 4.789 4.350 0.003 0.000 0.252 89 T C 1.340 176.074 174.700 0.056 0.000 1.053 89 T CA 1.056 63.172 62.100 0.027 0.000 0.964 89 T CB 0.371 69.262 68.868 0.038 0.000 1.005 89 T HN 1.482 nan 8.240 nan 0.000 0.532 90 G N 0.769 109.602 108.800 0.055 0.000 2.254 90 G HA2 -0.254 3.708 3.960 0.003 0.000 0.225 90 G HA3 -0.254 3.708 3.960 0.003 0.000 0.225 90 G C -0.012 174.937 174.900 0.082 0.000 1.003 90 G CA -0.279 44.847 45.100 0.044 0.000 0.622 90 G HN 0.670 nan 8.290 nan 0.000 0.507 91 W N 2.723 123.996 121.300 -0.045 0.000 2.580 91 W HA 0.312 4.973 4.660 0.001 0.000 0.337 91 W C 0.474 176.969 176.519 -0.040 0.000 1.088 91 W CA 1.008 58.337 57.345 -0.027 0.000 1.189 91 W CB 0.431 29.883 29.460 -0.014 0.000 1.131 91 W HN 0.148 nan 8.180 nan 0.000 0.563 92 D N 4.563 124.601 120.400 -0.602 0.000 2.559 92 D HA 0.220 4.862 4.640 0.003 0.000 0.234 92 D C 0.787 176.502 176.300 -0.975 0.000 1.226 92 D CA 0.172 53.785 54.000 -0.645 0.000 0.830 92 D CB -0.422 40.173 40.800 -0.341 0.000 1.028 92 D HN 0.354 nan 8.370 nan 0.000 0.492 93 G N -0.577 107.076 108.800 -1.911 0.000 2.543 93 G HA2 0.336 4.298 3.960 0.003 0.000 0.290 93 G HA3 0.336 4.298 3.960 0.003 0.000 0.290 93 G C -0.727 173.579 174.900 -0.990 0.000 1.310 93 G CA -0.461 43.862 45.100 -1.296 0.000 1.025 93 G HN 0.099 nan 8.290 nan 0.000 0.502 94 Y N -1.057 119.147 120.300 -0.161 0.000 2.320 94 Y HA 0.399 4.950 4.550 0.002 0.000 0.324 94 Y C -0.100 176.112 175.900 0.520 0.000 1.190 94 Y CA -0.589 57.611 58.100 0.167 0.000 1.215 94 Y CB 1.549 40.087 38.460 0.130 0.000 1.221 94 Y HN 0.455 nan 8.280 nan 0.000 0.486 95 W N 4.966 126.575 121.300 0.516 0.000 2.424 95 W HA 0.613 5.275 4.660 0.003 0.000 0.318 95 W C -2.019 174.688 176.519 0.313 0.000 1.016 95 W CA -0.964 56.650 57.345 0.448 0.000 1.268 95 W CB 1.393 31.158 29.460 0.509 0.000 1.297 95 W HN 0.223 nan 8.180 nan 0.000 0.428 96 V N 6.504 126.440 119.914 0.036 0.000 2.370 96 V HA 0.257 4.378 4.120 0.003 0.000 0.283 96 V C -0.296 175.727 176.094 -0.119 0.000 1.023 96 V CA -0.208 62.122 62.300 0.049 0.000 0.857 96 V CB 1.435 33.242 31.823 -0.026 0.000 0.985 96 V HN 0.415 nan 8.190 nan 0.000 0.443 97 D N 2.909 123.349 120.400 0.065 0.000 2.738 97 D HA 0.669 5.310 4.640 0.003 0.000 0.237 97 D C 0.419 176.775 176.300 0.093 0.000 1.123 97 D CA -0.213 53.831 54.000 0.074 0.000 0.856 97 D CB 2.760 43.737 40.800 0.294 0.000 1.552 97 D HN 0.461 nan 8.370 nan 0.000 0.480 98 A N 2.175 125.038 122.820 0.072 0.000 2.044 98 A HA 0.474 4.796 4.320 0.003 0.000 0.213 98 A C 1.098 178.734 177.584 0.087 0.000 1.169 98 A CA 0.800 52.880 52.037 0.071 0.000 0.724 98 A CB -0.186 18.845 19.000 0.051 0.000 0.840 98 A HN 0.583 nan 8.150 nan 0.000 0.463 99 A N 0.372 123.255 122.820 0.105 0.000 2.425 99 A HA 0.396 4.717 4.320 0.003 0.000 0.242 99 A C 1.525 179.170 177.584 0.102 0.000 1.077 99 A CA 0.444 52.546 52.037 0.108 0.000 0.781 99 A CB 0.097 19.177 19.000 0.132 0.000 1.020 99 A HN 0.978 nan 8.150 nan 0.000 0.494 100 S N 1.140 116.896 115.700 0.093 0.000 2.522 100 S HA 0.115 4.587 4.470 0.003 0.000 0.227 100 S C 1.843 176.487 174.600 0.073 0.000 0.986 100 S CA 0.924 59.178 58.200 0.091 0.000 0.929 100 S CB -0.642 62.619 63.200 0.102 0.000 0.769 100 S HN 1.468 nan 8.310 nan 0.000 0.529 101 A N 2.710 125.567 122.820 0.062 0.000 1.923 101 A HA -0.146 4.176 4.320 0.003 0.000 0.222 101 A C 2.082 179.662 177.584 -0.006 0.000 1.258 101 A CA 2.161 54.215 52.037 0.028 0.000 0.670 101 A CB -0.986 18.029 19.000 0.024 0.000 0.834 101 A HN 0.642 nan 8.150 nan 0.000 0.470 102 L N -2.199 119.003 121.223 -0.034 0.000 2.640 102 L HA 0.149 4.491 4.340 0.003 0.000 0.230 102 L C 2.235 179.093 176.870 -0.019 0.000 1.123 102 L CA -0.089 54.705 54.840 -0.075 0.000 0.900 102 L CB -0.197 41.721 42.059 -0.234 0.000 1.146 102 L HN 0.298 nan 8.230 nan 0.000 0.484 103 R N 0.560 121.076 120.500 0.027 0.000 2.119 103 R HA -0.152 4.190 4.340 0.003 0.000 0.246 103 R C 1.299 177.623 176.300 0.040 0.000 1.146 103 R CA 1.370 57.495 56.100 0.042 0.000 0.962 103 R CB -0.194 30.149 30.300 0.072 0.000 0.863 103 R HN 0.254 nan 8.270 nan 0.000 0.442 104 M N 1.017 120.658 119.600 0.068 0.000 2.571 104 M HA 0.116 4.597 4.480 0.003 0.000 0.235 104 M C -0.362 175.968 176.300 0.049 0.000 1.216 104 M CA 0.142 55.491 55.300 0.081 0.000 0.979 104 M CB -0.074 32.625 32.600 0.166 0.000 1.616 104 M HN -0.186 nan 8.290 nan 0.000 0.469 105 K N 0.973 121.383 120.400 0.017 0.000 2.118 105 K HA 0.160 4.482 4.320 0.003 0.000 0.264 105 K C 0.682 177.279 176.600 -0.004 0.000 1.000 105 K CA -0.279 56.012 56.287 0.006 0.000 0.929 105 K CB 1.083 33.578 32.500 -0.008 0.000 1.021 105 K HN 0.039 nan 8.250 nan 0.000 0.463 106 D N 1.089 121.488 120.400 -0.002 0.000 2.219 106 D HA -0.141 4.501 4.640 0.003 0.000 0.205 106 D C 0.630 176.912 176.300 -0.029 0.000 0.970 106 D CA 1.242 55.236 54.000 -0.010 0.000 0.851 106 D CB 0.238 41.036 40.800 -0.004 0.000 0.943 106 D HN 0.566 nan 8.370 nan 0.000 0.488 107 D N -0.044 120.338 120.400 -0.029 0.000 2.336 107 D HA 0.217 4.859 4.640 0.003 0.000 0.228 107 D C 0.034 176.280 176.300 -0.090 0.000 1.120 107 D CA -0.246 53.725 54.000 -0.048 0.000 0.839 107 D CB 0.047 40.833 40.800 -0.023 0.000 0.932 107 D HN -0.027 nan 8.370 nan 0.000 0.509 108 A N 0.064 122.823 122.820 -0.102 0.000 2.413 108 A HA 0.730 5.052 4.320 0.003 0.000 0.307 108 A C -0.841 176.633 177.584 -0.184 0.000 1.087 108 A CA -0.812 51.128 52.037 -0.162 0.000 0.750 108 A CB 1.457 20.401 19.000 -0.093 0.000 1.296 108 A HN 0.193 nan 8.150 nan 0.000 0.423 109 I N 1.467 121.865 120.570 -0.287 0.000 2.569 109 I HA 0.361 4.532 4.170 0.003 0.000 0.296 109 I C -0.792 175.303 176.117 -0.038 0.000 1.028 109 I CA -0.529 60.666 61.300 -0.175 0.000 1.082 109 I CB 2.008 39.869 38.000 -0.232 0.000 1.264 109 I HN 0.512 nan 8.210 nan 0.000 0.429 110 I N 6.223 126.803 120.570 0.017 0.000 2.325 110 I HA 0.195 4.367 4.170 0.003 0.000 0.291 110 I C 0.088 176.262 176.117 0.096 0.000 1.019 110 I CA -0.717 60.618 61.300 0.057 0.000 1.302 110 I CB 1.240 39.256 38.000 0.027 0.000 1.401 110 I HN 0.271 nan 8.210 nan 0.000 0.485 111 V N 5.851 125.850 119.914 0.142 0.000 2.567 111 V HA 0.616 4.737 4.120 0.003 0.000 0.289 111 V C -0.398 175.759 176.094 0.104 0.000 1.049 111 V CA -0.520 61.870 62.300 0.150 0.000 0.969 111 V CB 1.666 33.603 31.823 0.189 0.000 0.995 111 V HN 0.658 nan 8.190 nan 0.000 0.471 112 L N 3.975 125.252 121.223 0.091 0.000 2.318 112 L HA 0.319 4.661 4.340 0.003 0.000 0.263 112 L C 0.706 177.614 176.870 0.062 0.000 1.461 112 L CA 0.714 55.597 54.840 0.072 0.000 0.749 112 L CB 0.417 42.489 42.059 0.021 0.000 0.917 112 L HN 0.964 nan 8.230 nan 0.000 0.531 113 D N -0.112 120.341 120.400 0.087 0.000 2.191 113 D HA -0.204 4.438 4.640 0.003 0.000 0.195 113 D C -1.134 175.215 176.300 0.082 0.000 1.003 113 D CA 1.657 55.707 54.000 0.083 0.000 0.867 113 D CB -0.559 40.290 40.800 0.081 0.000 0.926 113 D HN 0.430 nan 8.370 nan 0.000 0.450 114 P HA -0.041 nan 4.420 nan 0.000 0.226 114 P C 1.142 178.512 177.300 0.117 0.000 1.153 114 P CA 0.662 63.820 63.100 0.096 0.000 0.777 114 P CB 0.253 31.975 31.700 0.037 0.000 0.794 115 V N -0.220 119.761 119.914 0.111 0.000 2.806 115 V HA 0.055 4.177 4.120 0.003 0.000 0.239 115 V C 1.179 177.337 176.094 0.106 0.000 1.113 115 V CA 1.355 63.755 62.300 0.166 0.000 1.137 115 V CB -0.510 31.332 31.823 0.032 0.000 0.865 115 V HN 0.214 nan 8.190 nan 0.000 0.482 116 N N 0.192 118.934 118.700 0.071 0.000 2.535 116 N HA 0.083 4.825 4.740 0.003 0.000 0.294 116 N C 0.973 176.543 175.510 0.099 0.000 1.408 116 N CA -0.173 52.923 53.050 0.077 0.000 0.927 116 N CB 0.731 39.248 38.487 0.050 0.000 1.276 116 N HN 0.276 nan 8.380 nan 0.000 0.505 117 Q N 0.579 120.436 119.800 0.095 0.000 2.061 117 Q HA -0.218 4.123 4.340 0.003 0.000 0.204 117 Q C 1.677 177.733 176.000 0.093 0.000 0.984 117 Q CA 1.753 57.606 55.803 0.083 0.000 0.846 117 Q CB -0.618 28.159 28.738 0.065 0.000 0.902 117 Q HN 0.605 nan 8.270 nan 0.000 0.421 118 H N -0.708 118.384 119.070 0.036 0.000 2.422 118 H HA -0.066 4.492 4.556 0.003 0.000 0.298 118 H C 1.717 177.072 175.328 0.045 0.000 1.098 118 H CA 1.639 57.708 56.048 0.035 0.000 1.315 118 H CB 0.233 30.010 29.762 0.025 0.000 1.382 118 H HN 0.219 nan 8.280 nan 0.000 0.523 119 V N 0.832 120.870 119.914 0.207 0.000 2.453 119 V HA -0.198 3.923 4.120 0.003 0.000 0.247 119 V C 2.772 178.946 176.094 0.133 0.000 1.048 119 V CA 1.369 63.764 62.300 0.159 0.000 1.049 119 V CB -0.346 31.543 31.823 0.109 0.000 0.672 119 V HN 0.313 nan 8.190 nan 0.000 0.457 120 I N -0.156 120.498 120.570 0.140 0.000 2.202 120 I HA -0.184 3.987 4.170 0.003 0.000 0.242 120 I C 2.577 178.788 176.117 0.157 0.000 1.091 120 I CA 1.428 62.852 61.300 0.206 0.000 1.368 120 I CB -0.434 37.660 38.000 0.156 0.000 1.058 120 I HN 0.235 nan 8.210 nan 0.000 0.410 121 S N 0.374 116.096 115.700 0.037 0.000 2.359 121 S HA -0.174 4.298 4.470 0.003 0.000 0.224 121 S C 1.922 176.517 174.600 -0.008 0.000 1.035 121 S CA 1.210 59.396 58.200 -0.023 0.000 1.018 121 S CB -0.253 62.868 63.200 -0.131 0.000 0.876 121 S HN 0.399 nan 8.310 nan 0.000 0.448 122 E N 0.868 121.051 120.200 -0.029 0.000 2.110 122 E HA -0.080 4.272 4.350 0.003 0.000 0.193 122 E C 2.314 178.951 176.600 0.062 0.000 0.988 122 E CA 1.065 57.470 56.400 0.008 0.000 0.804 122 E CB -0.733 28.993 29.700 0.043 0.000 0.745 122 E HN 0.565 nan 8.360 nan 0.000 0.458 123 G N 1.057 109.921 108.800 0.107 0.000 2.408 123 G HA2 -0.196 3.766 3.960 0.003 0.000 0.217 123 G HA3 -0.196 3.766 3.960 0.003 0.000 0.217 123 G C 1.696 176.715 174.900 0.199 0.000 1.150 123 G CA 0.275 45.450 45.100 0.125 0.000 0.776 123 G HN 0.185 nan 8.290 nan 0.000 0.542 124 L N -0.343 121.038 121.223 0.263 0.000 2.265 124 L HA -0.019 4.323 4.340 0.003 0.000 0.215 124 L C 2.792 179.753 176.870 0.151 0.000 1.117 124 L CA 0.998 55.999 54.840 0.269 0.000 0.782 124 L CB -0.130 42.031 42.059 0.171 0.000 0.914 124 L HN 0.233 nan 8.230 nan 0.000 0.441 125 K N -0.445 120.010 120.400 0.093 0.000 2.128 125 K HA -0.061 4.261 4.320 0.003 0.000 0.202 125 K C 2.041 178.666 176.600 0.041 0.000 1.050 125 K CA 0.202 56.521 56.287 0.053 0.000 0.966 125 K CB -0.047 32.470 32.500 0.029 0.000 0.759 125 K HN -0.064 nan 8.250 nan 0.000 0.454 126 K N 0.901 121.326 120.400 0.042 0.000 2.442 126 K HA -0.128 4.194 4.320 0.003 0.000 0.198 126 K C 0.717 177.324 176.600 0.011 0.000 1.044 126 K CA 1.332 57.633 56.287 0.022 0.000 0.948 126 K CB -0.039 32.472 32.500 0.018 0.000 0.762 126 K HN 0.437 nan 8.250 nan 0.000 0.472 127 G N 0.983 109.800 108.800 0.028 0.000 2.144 127 G HA2 -0.163 3.798 3.960 0.003 0.000 0.218 127 G HA3 -0.163 3.798 3.960 0.003 0.000 0.218 127 G C 0.060 174.950 174.900 -0.017 0.000 0.988 127 G CA -0.038 45.061 45.100 -0.002 0.000 0.659 127 G HN 0.191 nan 8.290 nan 0.000 0.522 128 I N 0.644 121.228 120.570 0.024 0.000 2.741 128 I HA 0.127 4.298 4.170 0.003 0.000 0.288 128 I C 1.150 177.299 176.117 0.053 0.000 1.192 128 I CA 0.668 61.943 61.300 -0.041 0.000 1.426 128 I CB 0.955 38.862 38.000 -0.155 0.000 1.367 128 I HN 0.001 nan 8.210 nan 0.000 0.563 129 K N 3.643 124.014 120.400 -0.048 0.000 2.402 129 K HA 0.177 4.499 4.320 0.003 0.000 0.204 129 K C 0.046 176.801 176.600 0.258 0.000 1.056 129 K CA 0.244 56.507 56.287 -0.040 0.000 1.069 129 K CB 0.669 32.986 32.500 -0.306 0.000 0.888 129 K HN 0.512 nan 8.250 nan 0.000 0.546 130 T N 1.414 116.011 114.554 0.070 0.000 2.786 130 T HA 0.549 4.900 4.350 0.003 0.000 0.283 130 T C -0.934 173.669 174.700 -0.163 0.000 0.992 130 T CA -0.364 61.839 62.100 0.171 0.000 0.954 130 T CB 0.572 69.507 68.868 0.112 0.000 0.934 130 T HN -0.180 nan 8.240 nan 0.000 0.440 131 F N 2.099 122.181 119.950 0.221 0.000 2.518 131 F HA 0.634 5.163 4.527 0.003 0.000 0.323 131 F C -0.275 175.603 175.800 0.131 0.000 1.129 131 F CA -1.035 57.053 58.000 0.147 0.000 0.920 131 F CB 1.734 40.809 39.000 0.125 0.000 1.160 131 F HN 0.195 nan 8.300 nan 0.000 0.440 132 V N 1.988 122.028 119.914 0.211 0.000 2.604 132 V HA 0.719 4.841 4.120 0.003 0.000 0.305 132 V C 0.415 176.587 176.094 0.130 0.000 1.043 132 V CA -1.145 61.250 62.300 0.158 0.000 0.888 132 V CB 1.614 33.503 31.823 0.109 0.000 0.995 132 V HN 0.915 nan 8.190 nan 0.000 0.429 133 G N 2.255 111.123 108.800 0.113 0.000 2.554 133 G HA2 0.477 4.438 3.960 0.003 0.000 0.238 133 G HA3 0.477 4.438 3.960 0.003 0.000 0.238 133 G C 0.383 175.334 174.900 0.085 0.000 1.259 133 G CA 0.392 45.548 45.100 0.094 0.000 0.843 133 G HN 1.101 nan 8.290 nan 0.000 0.582 134 G N -0.205 108.641 108.800 0.076 0.000 2.511 134 G HA2 0.362 4.324 3.960 0.003 0.000 0.316 134 G HA3 0.362 4.324 3.960 0.003 0.000 0.316 134 G C 0.308 175.251 174.900 0.073 0.000 1.210 134 G CA -0.809 44.329 45.100 0.064 0.000 0.969 134 G HN 0.815 nan 8.290 nan 0.000 0.492 135 N N -0.059 118.683 118.700 0.071 0.000 2.357 135 N HA -0.092 4.650 4.740 0.003 0.000 0.257 135 N C 1.426 176.995 175.510 0.100 0.000 1.250 135 N CA 0.331 53.434 53.050 0.090 0.000 0.862 135 N CB 0.655 39.191 38.487 0.082 0.000 1.066 135 N HN 0.249 nan 8.380 nan 0.000 0.468 136 S N 2.838 118.618 115.700 0.132 0.000 2.353 136 S HA -0.149 4.323 4.470 0.003 0.000 0.222 136 S C 1.759 176.476 174.600 0.195 0.000 1.035 136 S CA 1.870 60.164 58.200 0.157 0.000 1.025 136 S CB -0.344 62.964 63.200 0.179 0.000 0.902 136 S HN 0.748 nan 8.310 nan 0.000 0.440 137 T N 2.175 116.863 114.554 0.223 0.000 2.684 137 T HA -0.088 4.264 4.350 0.003 0.000 0.267 137 T C 1.951 176.726 174.700 0.125 0.000 1.036 137 T CA 1.436 63.644 62.100 0.181 0.000 1.148 137 T CB -0.529 68.401 68.868 0.103 0.000 0.863 137 T HN 0.179 nan 8.240 nan 0.000 0.436 138 V N 1.426 121.386 119.914 0.077 0.000 2.343 138 V HA -0.175 3.947 4.120 0.003 0.000 0.247 138 V C 2.717 178.805 176.094 -0.011 0.000 1.051 138 V CA 1.882 64.190 62.300 0.013 0.000 1.036 138 V CB -0.808 30.997 31.823 -0.029 0.000 0.654 138 V HN 0.445 nan 8.190 nan 0.000 0.451 139 S N 0.085 115.798 115.700 0.021 0.000 2.370 139 S HA -0.127 4.345 4.470 0.003 0.000 0.226 139 S C 1.887 176.492 174.600 0.008 0.000 1.033 139 S CA 1.512 59.719 58.200 0.011 0.000 1.011 139 S CB -0.368 62.873 63.200 0.068 0.000 0.852 139 S HN 0.472 nan 8.310 nan 0.000 0.457 140 L N 0.839 122.103 121.223 0.068 0.000 2.201 140 L HA -0.040 4.301 4.340 0.003 0.000 0.212 140 L C 2.509 179.423 176.870 0.075 0.000 1.105 140 L CA 0.928 55.813 54.840 0.077 0.000 0.775 140 L CB -0.432 41.703 42.059 0.127 0.000 0.913 140 L HN 0.399 nan 8.230 nan 0.000 0.440 141 M N -0.026 119.636 119.600 0.103 0.000 2.077 141 M HA -0.202 4.280 4.480 0.003 0.000 0.261 141 M C 2.242 178.524 176.300 -0.030 0.000 1.070 141 M CA 1.836 57.225 55.300 0.150 0.000 1.125 141 M CB -0.026 32.645 32.600 0.118 0.000 1.339 141 M HN 0.151 nan 8.290 nan 0.000 0.409 142 L N 0.143 121.282 121.223 -0.140 0.000 2.083 142 L HA -0.230 4.112 4.340 0.003 0.000 0.209 142 L C 2.579 179.306 176.870 -0.238 0.000 1.083 142 L CA 0.887 55.576 54.840 -0.251 0.000 0.752 142 L CB -0.666 41.215 42.059 -0.297 0.000 0.899 142 L HN 0.445 nan 8.230 nan 0.000 0.433 143 M N -0.828 118.657 119.600 -0.192 0.000 2.374 143 M HA -0.099 4.383 4.480 0.003 0.000 0.264 143 M C 2.332 178.554 176.300 -0.130 0.000 1.067 143 M CA 1.506 56.666 55.300 -0.233 0.000 1.103 143 M CB -1.102 31.271 32.600 -0.378 0.000 1.402 143 M HN 0.286 nan 8.290 nan 0.000 0.444 144 A N 0.588 123.371 122.820 -0.060 0.000 1.871 144 A HA 0.060 4.382 4.320 0.003 0.000 0.211 144 A C 1.700 179.281 177.584 -0.004 0.000 1.207 144 A CA 0.706 52.754 52.037 0.017 0.000 0.620 144 A CB -0.288 18.783 19.000 0.119 0.000 0.860 144 A HN 0.549 nan 8.150 nan 0.000 0.450 145 I N -3.169 117.385 120.570 -0.027 0.000 3.816 145 I HA 0.415 4.586 4.170 0.003 0.000 0.334 145 I C 1.333 177.416 176.117 -0.056 0.000 1.551 145 I CA 0.352 61.634 61.300 -0.029 0.000 1.153 145 I CB -0.185 37.800 38.000 -0.025 0.000 1.197 145 I HN 0.103 nan 8.210 nan 0.000 0.439 146 G N 2.000 110.612 108.800 -0.315 0.000 2.469 146 G HA2 -0.242 3.720 3.960 0.003 0.000 0.220 146 G HA3 -0.242 3.720 3.960 0.003 0.000 0.220 146 G C 1.459 176.151 174.900 -0.347 0.000 1.136 146 G CA 1.067 45.789 45.100 -0.631 0.000 0.759 146 G HN 0.552 nan 8.290 nan 0.000 0.562 147 G N 1.125 109.808 108.800 -0.195 0.000 2.476 147 G HA2 -0.237 3.724 3.960 0.003 0.000 0.218 147 G HA3 -0.237 3.724 3.960 0.003 0.000 0.218 147 G C 1.799 176.718 174.900 0.032 0.000 1.164 147 G CA 0.944 46.095 45.100 0.086 0.000 0.768 147 G HN 0.449 nan 8.290 nan 0.000 0.560 148 L N -0.950 120.248 121.223 -0.042 0.000 2.079 148 L HA -0.057 4.285 4.340 0.003 0.000 0.210 148 L C 2.723 179.472 176.870 -0.201 0.000 1.081 148 L CA 0.963 55.709 54.840 -0.156 0.000 0.752 148 L CB -0.491 41.404 42.059 -0.275 0.000 0.896 148 L HN 0.149 nan 8.230 nan 0.000 0.433 149 F N -0.012 119.864 119.950 -0.123 0.000 2.293 149 F HA -0.125 4.404 4.527 0.003 0.000 0.297 149 F C 2.565 178.329 175.800 -0.060 0.000 1.089 149 F CA 0.999 58.935 58.000 -0.107 0.000 1.377 149 F CB -0.239 38.683 39.000 -0.129 0.000 1.051 149 F HN 0.103 nan 8.300 nan 0.000 0.511 150 E N 0.806 121.102 120.200 0.159 0.000 2.463 150 E HA -0.159 4.192 4.350 0.003 0.000 0.201 150 E C 0.778 177.409 176.600 0.052 0.000 1.045 150 E CA 0.855 57.332 56.400 0.128 0.000 0.872 150 E CB -0.017 29.808 29.700 0.209 0.000 0.797 150 E HN 0.371 nan 8.360 nan 0.000 0.538 151 K N 0.339 120.745 120.400 0.011 0.000 2.536 151 K HA 0.049 4.370 4.320 0.003 0.000 0.203 151 K C -0.404 176.163 176.600 -0.055 0.000 1.063 151 K CA 0.315 56.587 56.287 -0.024 0.000 1.063 151 K CB 0.596 33.076 32.500 -0.034 0.000 0.843 151 K HN -0.013 nan 8.250 nan 0.000 0.521 152 D N 1.060 121.427 120.400 -0.054 0.000 2.702 152 D HA -0.191 4.451 4.640 0.003 0.000 0.233 152 D C 0.140 176.361 176.300 -0.131 0.000 1.164 152 D CA 0.300 54.253 54.000 -0.080 0.000 0.638 152 D CB -0.543 40.226 40.800 -0.051 0.000 1.041 152 D HN 0.147 nan 8.370 nan 0.000 0.422 153 L N -0.272 120.841 121.223 -0.184 0.000 2.607 153 L HA 0.304 4.645 4.340 0.003 0.000 0.228 153 L C 0.066 176.754 176.870 -0.304 0.000 1.123 153 L CA 0.360 55.074 54.840 -0.210 0.000 0.890 153 L CB 0.753 42.702 42.059 -0.184 0.000 1.103 153 L HN 0.117 nan 8.230 nan 0.000 0.468 154 V N -0.077 119.596 119.914 -0.401 0.000 2.370 154 V HA 0.190 4.311 4.120 0.003 0.000 0.279 154 V C 1.153 177.044 176.094 -0.339 0.000 1.029 154 V CA -0.379 61.619 62.300 -0.502 0.000 0.870 154 V CB 1.508 32.784 31.823 -0.912 0.000 0.984 154 V HN 0.258 nan 8.190 nan 0.000 0.451 155 E N 5.441 125.446 120.200 -0.326 0.000 2.140 155 E HA 0.065 4.417 4.350 0.003 0.000 0.191 155 E C 0.083 176.701 176.600 0.032 0.000 0.973 155 E CA 0.573 56.877 56.400 -0.160 0.000 0.829 155 E CB 0.582 30.162 29.700 -0.200 0.000 0.781 155 E HN 0.772 nan 8.360 nan 0.000 0.466 156 W N -0.935 120.294 121.300 -0.119 0.000 2.986 156 W HA 0.482 5.143 4.660 0.003 0.000 0.345 156 W C -1.899 174.582 176.519 -0.064 0.000 1.191 156 W CA -0.859 56.453 57.345 -0.054 0.000 1.170 156 W CB 0.342 29.802 29.460 0.000 0.000 1.438 156 W HN -0.283 nan 8.180 nan 0.000 0.567 157 I N 2.353 123.229 120.570 0.511 0.000 2.571 157 I HA 0.216 4.388 4.170 0.003 0.000 0.289 157 I C -0.402 176.005 176.117 0.482 0.000 1.115 157 I CA -0.560 60.952 61.300 0.354 0.000 1.045 157 I CB 2.313 40.343 38.000 0.050 0.000 1.238 157 I HN 0.388 nan 8.210 nan 0.000 0.424 158 S N 5.366 121.395 115.700 0.549 0.000 2.462 158 S HA 0.747 5.219 4.470 0.003 0.000 0.294 158 S C -0.723 174.092 174.600 0.359 0.000 1.144 158 S CA -0.389 58.047 58.200 0.393 0.000 1.088 158 S CB 0.945 64.393 63.200 0.414 0.000 1.009 158 S HN 0.332 nan 8.310 nan 0.000 0.484 159 V N 3.203 123.289 119.914 0.286 0.000 2.769 159 V HA 0.903 5.025 4.120 0.003 0.000 0.312 159 V C -0.070 176.127 176.094 0.171 0.000 1.061 159 V CA -0.836 61.654 62.300 0.316 0.000 0.931 159 V CB 1.665 33.698 31.823 0.349 0.000 1.010 159 V HN 1.052 nan 8.190 nan 0.000 0.433 160 A N 2.123 125.022 122.820 0.132 0.000 2.411 160 A HA 0.776 5.098 4.320 0.003 0.000 0.285 160 A C -0.112 177.473 177.584 0.000 0.000 1.129 160 A CA -0.320 51.739 52.037 0.037 0.000 0.736 160 A CB 1.329 20.373 19.000 0.073 0.000 1.186 160 A HN 0.981 nan 8.150 nan 0.000 0.445 161 T N -0.923 113.575 114.554 -0.094 0.000 2.943 161 T HA 0.692 5.043 4.350 0.003 0.000 0.284 161 T C -0.894 173.666 174.700 -0.233 0.000 1.015 161 T CA -0.358 61.702 62.100 -0.067 0.000 1.042 161 T CB 0.818 69.637 68.868 -0.082 0.000 1.055 161 T HN 0.411 nan 8.240 nan 0.000 0.500 162 Y N 0.797 121.055 120.300 -0.070 0.000 2.787 162 Y HA 0.381 4.932 4.550 0.003 0.000 0.352 162 Y C 0.459 176.338 175.900 -0.034 0.000 1.027 162 Y CA -1.013 57.080 58.100 -0.011 0.000 1.219 162 Y CB 0.669 39.168 38.460 0.065 0.000 1.110 162 Y HN 0.627 nan 8.280 nan 0.000 0.614 163 Q N 1.665 121.449 119.800 -0.027 0.000 2.259 163 Q HA 0.730 5.072 4.340 0.003 0.000 0.249 163 Q C -0.051 176.038 176.000 0.149 0.000 0.914 163 Q CA -0.751 54.962 55.803 -0.150 0.000 0.904 163 Q CB 1.834 30.282 28.738 -0.482 0.000 1.213 163 Q HN 0.704 nan 8.270 nan 0.000 0.428 164 A N 1.308 124.402 122.820 0.456 0.000 2.304 164 A HA 0.504 4.825 4.320 0.003 0.000 0.271 164 A C 0.909 178.684 177.584 0.319 0.000 1.091 164 A CA 0.236 52.470 52.037 0.328 0.000 0.812 164 A CB 0.466 19.616 19.000 0.251 0.000 1.056 164 A HN 0.926 nan 8.150 nan 0.000 0.489 165 A N 0.626 123.603 122.820 0.261 0.000 2.019 165 A HA -0.058 4.264 4.320 0.003 0.000 0.219 165 A C 2.334 180.062 177.584 0.240 0.000 1.164 165 A CA 2.248 54.494 52.037 0.347 0.000 0.644 165 A CB -1.142 18.091 19.000 0.389 0.000 0.805 165 A HN 1.674 nan 8.150 nan 0.000 0.449 166 S N -0.279 115.517 115.700 0.161 0.000 2.400 166 S HA -0.069 4.402 4.470 0.003 0.000 0.232 166 S C 1.959 176.614 174.600 0.092 0.000 1.025 166 S CA 1.391 59.644 58.200 0.088 0.000 0.993 166 S CB -1.176 62.041 63.200 0.029 0.000 0.808 166 S HN 0.699 nan 8.310 nan 0.000 0.478 167 G N 1.003 109.899 108.800 0.161 0.000 2.448 167 G HA2 0.155 4.116 3.960 0.003 0.000 0.219 167 G HA3 0.155 4.116 3.960 0.003 0.000 0.219 167 G C 1.512 176.503 174.900 0.151 0.000 1.127 167 G CA 0.679 45.892 45.100 0.188 0.000 0.766 167 G HN 0.794 nan 8.290 nan 0.000 0.552 168 A N -0.617 122.292 122.820 0.149 0.000 1.935 168 A HA 0.570 4.891 4.320 0.003 0.000 0.214 168 A C 1.332 178.920 177.584 0.006 0.000 1.178 168 A CA 1.596 53.679 52.037 0.077 0.000 0.640 168 A CB -0.153 18.883 19.000 0.060 0.000 0.825 168 A HN 1.642 nan 8.150 nan 0.000 0.447 169 G N -3.676 105.130 108.800 0.011 0.000 2.347 169 G HA2 0.461 4.423 3.960 0.003 0.000 0.321 169 G HA3 0.461 4.423 3.960 0.003 0.000 0.321 169 G C 0.542 175.430 174.900 -0.020 0.000 1.412 169 G CA -0.046 45.045 45.100 -0.014 0.000 0.990 169 G HN 1.012 nan 8.290 nan 0.000 0.637 170 A N 0.066 122.873 122.820 -0.022 0.000 1.883 170 A HA 0.014 4.336 4.320 0.003 0.000 0.217 170 A C 2.199 179.764 177.584 -0.031 0.000 1.186 170 A CA 2.329 54.355 52.037 -0.018 0.000 0.624 170 A CB -0.474 18.512 19.000 -0.023 0.000 0.822 170 A HN 0.675 nan 8.150 nan 0.000 0.444 171 K N -0.496 119.870 120.400 -0.057 0.000 2.147 171 K HA -0.151 4.171 4.320 0.003 0.000 0.205 171 K C 1.695 178.232 176.600 -0.105 0.000 1.049 171 K CA 1.583 57.826 56.287 -0.073 0.000 0.936 171 K CB -0.289 32.159 32.500 -0.086 0.000 0.722 171 K HN 0.511 nan 8.250 nan 0.000 0.446 172 N N 0.764 119.363 118.700 -0.168 0.000 2.188 172 N HA -0.074 4.668 4.740 0.003 0.000 0.184 172 N C 1.694 177.240 175.510 0.060 0.000 1.018 172 N CA 1.211 54.082 53.050 -0.298 0.000 0.858 172 N CB -0.041 38.143 38.487 -0.506 0.000 0.989 172 N HN 0.115 nan 8.380 nan 0.000 0.426 173 M N 0.116 119.760 119.600 0.074 0.000 2.117 173 M HA -0.093 4.388 4.480 0.003 0.000 0.262 173 M C 1.920 178.274 176.300 0.091 0.000 1.065 173 M CA 1.443 56.813 55.300 0.117 0.000 1.114 173 M CB -0.141 32.502 32.600 0.071 0.000 1.361 173 M HN 0.086 nan 8.290 nan 0.000 0.408 174 R N -0.043 120.483 120.500 0.044 0.000 2.075 174 R HA -0.163 4.179 4.340 0.003 0.000 0.232 174 R C 2.132 178.451 176.300 0.031 0.000 1.126 174 R CA 1.569 57.684 56.100 0.025 0.000 0.963 174 R CB -0.405 29.893 30.300 -0.002 0.000 0.858 174 R HN 0.469 nan 8.270 nan 0.000 0.435 175 E N 0.954 121.180 120.200 0.045 0.000 2.077 175 E HA -0.210 4.141 4.350 0.003 0.000 0.193 175 E C 1.908 178.570 176.600 0.104 0.000 0.989 175 E CA 0.931 57.364 56.400 0.055 0.000 0.800 175 E CB -0.004 29.738 29.700 0.071 0.000 0.746 175 E HN 0.147 nan 8.360 nan 0.000 0.452 176 L N 0.918 122.269 121.223 0.214 0.000 2.012 176 L HA -0.167 4.175 4.340 0.003 0.000 0.210 176 L C 2.096 179.009 176.870 0.071 0.000 1.073 176 L CA 1.688 56.619 54.840 0.151 0.000 0.748 176 L CB -0.576 41.586 42.059 0.170 0.000 0.891 176 L HN 0.251 nan 8.230 nan 0.000 0.431 177 L N -0.970 120.292 121.223 0.064 0.000 2.046 177 L HA -0.205 4.137 4.340 0.003 0.000 0.208 177 L C 2.504 179.384 176.870 0.018 0.000 1.077 177 L CA 1.452 56.317 54.840 0.041 0.000 0.747 177 L CB -0.723 41.357 42.059 0.036 0.000 0.896 177 L HN 0.272 nan 8.230 nan 0.000 0.432 178 S N -0.762 114.933 115.700 -0.008 0.000 2.368 178 S HA -0.214 4.258 4.470 0.003 0.000 0.225 178 S C 1.928 176.479 174.600 -0.081 0.000 1.030 178 S CA 1.148 59.320 58.200 -0.045 0.000 0.999 178 S CB -0.172 62.982 63.200 -0.076 0.000 0.844 178 S HN 0.443 nan 8.310 nan 0.000 0.459 179 Q N 0.528 120.252 119.800 -0.126 0.000 2.084 179 Q HA -0.068 4.274 4.340 0.003 0.000 0.202 179 Q C 2.268 178.340 176.000 0.121 0.000 0.978 179 Q CA 1.337 57.045 55.803 -0.157 0.000 0.844 179 Q CB -0.313 28.358 28.738 -0.112 0.000 0.898 179 Q HN 0.545 nan 8.270 nan 0.000 0.426 180 M N -0.203 119.451 119.600 0.090 0.000 2.080 180 M HA -0.149 4.333 4.480 0.003 0.000 0.260 180 M C 2.280 178.634 176.300 0.090 0.000 1.068 180 M CA 1.665 57.024 55.300 0.098 0.000 1.109 180 M CB -0.729 31.911 32.600 0.066 0.000 1.342 180 M HN 0.365 nan 8.290 nan 0.000 0.405 181 G N 0.715 109.553 108.800 0.063 0.000 2.459 181 G HA2 -0.196 3.765 3.960 0.003 0.000 0.217 181 G HA3 -0.196 3.765 3.960 0.003 0.000 0.217 181 G C 1.501 176.447 174.900 0.077 0.000 1.183 181 G CA 0.754 45.887 45.100 0.055 0.000 0.776 181 G HN 0.347 nan 8.290 nan 0.000 0.552 182 L N 0.039 121.324 121.223 0.102 0.000 2.042 182 L HA -0.078 4.264 4.340 0.003 0.000 0.210 182 L C 2.960 179.936 176.870 0.177 0.000 1.076 182 L CA 0.617 55.550 54.840 0.154 0.000 0.749 182 L CB -0.441 41.752 42.059 0.224 0.000 0.893 182 L HN 0.205 nan 8.230 nan 0.000 0.432 183 L N -0.631 120.717 121.223 0.207 0.000 2.017 183 L HA -0.218 4.123 4.340 0.003 0.000 0.208 183 L C 2.805 179.718 176.870 0.072 0.000 1.073 183 L CA 1.373 56.289 54.840 0.127 0.000 0.745 183 L CB -0.677 41.454 42.059 0.120 0.000 0.894 183 L HN 0.351 nan 8.230 nan 0.000 0.432 184 E N 0.506 120.747 120.200 0.068 0.000 2.072 184 E HA -0.239 4.112 4.350 0.003 0.000 0.191 184 E C 2.084 178.709 176.600 0.042 0.000 0.985 184 E CA 1.369 57.797 56.400 0.046 0.000 0.801 184 E CB -0.030 29.695 29.700 0.042 0.000 0.750 184 E HN 0.534 nan 8.360 nan 0.000 0.452 185 Q N -0.182 119.648 119.800 0.050 0.000 2.181 185 Q HA -0.131 4.211 4.340 0.003 0.000 0.205 185 Q C 2.050 178.073 176.000 0.039 0.000 0.980 185 Q CA 1.435 57.264 55.803 0.043 0.000 0.862 185 Q CB -0.199 28.568 28.738 0.049 0.000 0.905 185 Q HN 0.310 nan 8.270 nan 0.000 0.429 186 A N 0.436 123.283 122.820 0.044 0.000 2.121 186 A HA -0.055 4.267 4.320 0.003 0.000 0.218 186 A C 1.605 179.201 177.584 0.019 0.000 1.154 186 A CA 1.398 53.454 52.037 0.032 0.000 0.679 186 A CB 0.093 19.110 19.000 0.028 0.000 0.795 186 A HN 0.304 nan 8.150 nan 0.000 0.458 187 V N -4.535 115.391 119.914 0.020 0.000 3.047 187 V HA 0.313 4.434 4.120 0.003 0.000 0.374 187 V C 1.132 177.235 176.094 0.015 0.000 1.399 187 V CA 0.480 62.788 62.300 0.014 0.000 1.251 187 V CB -0.711 31.117 31.823 0.009 0.000 1.228 187 V HN 0.227 nan 8.190 nan 0.000 0.589 188 S N 2.748 118.458 115.700 0.018 0.000 2.365 188 S HA -0.228 4.243 4.470 0.003 0.000 0.225 188 S C 2.252 176.860 174.600 0.013 0.000 1.039 188 S CA 2.959 61.169 58.200 0.017 0.000 1.033 188 S CB -0.206 63.005 63.200 0.018 0.000 0.887 188 S HN 1.177 nan 8.310 nan 0.000 0.447 189 S N 0.770 116.477 115.700 0.012 0.000 2.371 189 S HA -0.050 4.422 4.470 0.003 0.000 0.224 189 S C 1.665 176.270 174.600 0.008 0.000 1.029 189 S CA 1.241 59.446 58.200 0.009 0.000 0.978 189 S CB -0.789 62.416 63.200 0.009 0.000 0.833 189 S HN 0.584 nan 8.310 nan 0.000 0.466 190 E N 1.876 122.081 120.200 0.008 0.000 2.118 190 E HA 0.011 4.362 4.350 0.003 0.000 0.195 190 E C 2.000 178.604 176.600 0.006 0.000 0.992 190 E CA 1.137 57.541 56.400 0.006 0.000 0.804 190 E CB -0.584 29.119 29.700 0.005 0.000 0.741 190 E HN 0.507 nan 8.360 nan 0.000 0.458 191 L N 0.484 121.712 121.223 0.008 0.000 2.141 191 L HA -0.167 4.174 4.340 0.003 0.000 0.209 191 L C 1.995 178.870 176.870 0.008 0.000 1.094 191 L CA 1.183 56.028 54.840 0.008 0.000 0.763 191 L CB -0.265 41.800 42.059 0.011 0.000 0.908 191 L HN 0.095 nan 8.230 nan 0.000 0.437 192 K N -0.639 119.766 120.400 0.008 0.000 2.217 192 K HA -0.097 4.224 4.320 0.003 0.000 0.202 192 K C 0.502 177.105 176.600 0.006 0.000 1.051 192 K CA 0.395 56.686 56.287 0.007 0.000 0.952 192 K CB -0.119 32.386 32.500 0.008 0.000 0.736 192 K HN 0.087 nan 8.250 nan 0.000 0.453 193 D N 1.972 122.375 120.400 0.005 0.000 2.422 193 D HA 0.031 4.672 4.640 0.003 0.000 0.227 193 D C -1.596 174.706 176.300 0.004 0.000 1.190 193 D CA -2.483 51.520 54.000 0.004 0.000 0.905 193 D CB 1.093 41.896 40.800 0.004 0.000 1.034 193 D HN -0.052 nan 8.370 nan 0.000 0.507 194 P HA -0.121 nan 4.420 nan 0.000 0.227 194 P C 0.475 177.776 177.300 0.003 0.000 1.145 194 P CA 0.587 63.689 63.100 0.003 0.000 0.769 194 P CB 0.279 31.981 31.700 0.003 0.000 0.769 195 A N -0.514 122.307 122.820 0.003 0.000 2.431 195 A HA 0.251 4.573 4.320 0.003 0.000 0.239 195 A C 1.048 178.634 177.584 0.002 0.000 1.230 195 A CA -0.019 52.019 52.037 0.002 0.000 0.928 195 A CB -0.336 18.666 19.000 0.002 0.000 1.006 195 A HN 0.296 nan 8.150 nan 0.000 0.520 196 S N 0.038 115.739 115.700 0.002 0.000 2.585 196 S HA 0.358 4.830 4.470 0.003 0.000 0.273 196 S C 0.473 175.074 174.600 0.001 0.000 1.339 196 S CA 0.224 58.425 58.200 0.002 0.000 1.028 196 S CB 0.915 64.116 63.200 0.002 0.000 0.906 196 S HN 0.507 nan 8.310 nan 0.000 0.528 197 S N 0.870 116.570 115.700 0.000 0.000 2.533 197 S HA 0.128 4.599 4.470 0.003 0.000 0.282 197 S C 0.875 175.474 174.600 -0.001 0.000 1.304 197 S CA -0.748 57.452 58.200 -0.001 0.000 1.063 197 S CB -0.161 63.038 63.200 -0.001 0.000 0.881 197 S HN 0.715 nan 8.310 nan 0.000 0.493 198 I N 6.161 126.730 120.570 -0.001 0.000 2.500 198 I HA 0.001 4.172 4.170 0.003 0.000 0.252 198 I C 1.536 177.651 176.117 -0.004 0.000 1.142 198 I CA 1.252 62.551 61.300 -0.002 0.000 1.451 198 I CB -0.255 37.744 38.000 -0.001 0.000 1.093 198 I HN 0.663 nan 8.210 nan 0.000 0.430 199 L N 0.233 121.453 121.223 -0.004 0.000 2.201 199 L HA -0.156 4.186 4.340 0.003 0.000 0.212 199 L C 2.140 179.006 176.870 -0.007 0.000 1.105 199 L CA 1.792 56.629 54.840 -0.006 0.000 0.775 199 L CB -1.829 40.227 42.059 -0.006 0.000 0.913 199 L HN 0.360 nan 8.230 nan 0.000 0.440 200 D N 0.167 120.564 120.400 -0.005 0.000 2.097 200 D HA -0.176 4.465 4.640 0.003 0.000 0.197 200 D C 2.308 178.604 176.300 -0.007 0.000 0.984 200 D CA 1.034 55.031 54.000 -0.006 0.000 0.826 200 D CB 0.129 40.926 40.800 -0.003 0.000 0.973 200 D HN 0.251 nan 8.370 nan 0.000 0.460 201 I N 0.274 120.841 120.570 -0.005 0.000 2.163 201 I HA -0.262 3.909 4.170 0.003 0.000 0.243 201 I C 2.404 178.515 176.117 -0.009 0.000 1.085 201 I CA 1.507 62.805 61.300 -0.004 0.000 1.347 201 I CB -0.501 37.498 38.000 -0.001 0.000 1.044 201 I HN 0.169 nan 8.210 nan 0.000 0.408 202 E N 1.899 122.093 120.200 -0.011 0.000 2.049 202 E HA -0.264 4.087 4.350 0.003 0.000 0.198 202 E C 2.174 178.760 176.600 -0.023 0.000 1.007 202 E CA 1.784 58.174 56.400 -0.016 0.000 0.809 202 E CB -0.344 29.348 29.700 -0.014 0.000 0.749 202 E HN 0.314 nan 8.360 nan 0.000 0.450 203 R N 0.309 120.797 120.500 -0.020 0.000 2.103 203 R HA -0.118 4.223 4.340 0.003 0.000 0.242 203 R C 2.610 178.893 176.300 -0.030 0.000 1.142 203 R CA 1.939 58.025 56.100 -0.024 0.000 0.960 203 R CB -0.364 29.925 30.300 -0.017 0.000 0.858 203 R HN 0.222 nan 8.270 nan 0.000 0.439 204 K N 0.286 120.672 120.400 -0.024 0.000 2.057 204 K HA -0.085 4.237 4.320 0.003 0.000 0.206 204 K C 2.174 178.752 176.600 -0.037 0.000 1.050 204 K CA 1.256 57.529 56.287 -0.024 0.000 0.935 204 K CB -0.308 32.186 32.500 -0.011 0.000 0.715 204 K HN 0.048 nan 8.250 nan 0.000 0.439 205 V N 1.171 121.062 119.914 -0.038 0.000 2.427 205 V HA -0.221 3.900 4.120 0.003 0.000 0.248 205 V C 1.732 177.761 176.094 -0.109 0.000 1.051 205 V CA 2.204 64.471 62.300 -0.055 0.000 1.048 205 V CB -0.368 31.435 31.823 -0.034 0.000 0.666 205 V HN 0.317 nan 8.190 nan 0.000 0.456 206 T N 0.696 115.195 114.554 -0.092 0.000 2.821 206 T HA -0.028 4.323 4.350 0.003 0.000 0.267 206 T C 2.029 176.650 174.700 -0.132 0.000 1.046 206 T CA 1.557 63.589 62.100 -0.114 0.000 1.139 206 T CB -0.503 68.321 68.868 -0.074 0.000 0.871 206 T HN 0.706 nan 8.240 nan 0.000 0.454 207 A N 1.609 124.372 122.820 -0.095 0.000 1.902 207 A HA -0.091 4.231 4.320 0.003 0.000 0.217 207 A C 2.196 179.713 177.584 -0.111 0.000 1.181 207 A CA 1.886 53.874 52.037 -0.082 0.000 0.623 207 A CB -0.455 18.516 19.000 -0.047 0.000 0.818 207 A HN 0.339 nan 8.150 nan 0.000 0.443 208 K N -0.217 120.107 120.400 -0.127 0.000 2.057 208 K HA -0.039 4.282 4.320 0.003 0.000 0.206 208 K C 1.999 178.350 176.600 -0.415 0.000 1.050 208 K CA 1.888 58.092 56.287 -0.138 0.000 0.935 208 K CB -0.482 31.981 32.500 -0.062 0.000 0.715 208 K HN 0.461 nan 8.250 nan 0.000 0.439 209 M N -0.033 119.189 119.600 -0.630 0.000 2.202 209 M HA -0.186 4.295 4.480 0.003 0.000 0.262 209 M C 1.384 177.284 176.300 -0.668 0.000 1.063 209 M CA 1.703 56.321 55.300 -1.137 0.000 1.097 209 M CB 0.066 32.292 32.600 -0.624 0.000 1.382 209 M HN 0.053 nan 8.290 nan 0.000 0.413 210 R N -0.045 120.268 120.500 -0.313 0.000 2.317 210 R HA 0.284 4.625 4.340 0.003 0.000 0.208 210 R C 0.481 176.748 176.300 -0.055 0.000 0.914 210 R CA 0.029 56.046 56.100 -0.138 0.000 1.060 210 R CB 0.021 30.265 30.300 -0.094 0.000 1.015 210 R HN 0.304 nan 8.270 nan 0.000 0.498 211 A N 1.170 123.962 122.820 -0.047 0.000 2.445 211 A HA -0.002 4.319 4.320 0.003 0.000 0.242 211 A C 0.260 177.900 177.584 0.094 0.000 1.075 211 A CA -0.257 51.800 52.037 0.033 0.000 0.777 211 A CB 0.323 19.355 19.000 0.054 0.000 1.013 211 A HN 0.055 nan 8.150 nan 0.000 0.493 212 D N 0.690 121.132 120.400 0.071 0.000 2.264 212 D HA -0.137 4.505 4.640 0.003 0.000 0.208 212 D C 1.434 177.790 176.300 0.093 0.000 0.966 212 D CA 1.617 55.661 54.000 0.074 0.000 0.864 212 D CB 0.016 40.843 40.800 0.045 0.000 0.933 212 D HN 0.745 nan 8.370 nan 0.000 0.499 213 N N 0.129 118.892 118.700 0.104 0.000 2.398 213 N HA -0.128 4.614 4.740 0.003 0.000 0.188 213 N C 0.043 175.637 175.510 0.140 0.000 1.122 213 N CA -0.279 52.829 53.050 0.096 0.000 0.866 213 N CB -0.566 37.966 38.487 0.075 0.000 0.970 213 N HN 0.003 nan 8.380 nan 0.000 0.462 214 F N 4.305 124.267 119.950 0.019 0.000 2.506 214 F HA 0.285 4.814 4.527 0.003 0.000 0.371 214 F C -1.847 173.973 175.800 0.033 0.000 1.078 214 F CA -2.707 55.308 58.000 0.025 0.000 1.195 214 F CB 0.515 39.529 39.000 0.023 0.000 1.099 214 F HN -0.025 nan 8.300 nan 0.000 0.548 215 P HA 0.046 nan 4.420 nan 0.000 0.268 215 P C -0.185 177.016 177.300 -0.164 0.000 1.282 215 P CA 0.087 63.068 63.100 -0.199 0.000 0.880 215 P CB 0.186 31.759 31.700 -0.211 0.000 0.971 216 T N -1.722 112.829 114.554 -0.006 0.000 3.337 216 T HA 0.124 4.476 4.350 0.003 0.000 0.299 216 T C 0.729 175.475 174.700 0.077 0.000 0.998 216 T CA -0.309 61.843 62.100 0.086 0.000 0.948 216 T CB -0.315 68.652 68.868 0.165 0.000 1.170 216 T HN 0.049 nan 8.240 nan 0.000 0.508 217 D N 2.260 122.674 120.400 0.023 0.000 2.144 217 D HA -0.106 4.536 4.640 0.003 0.000 0.199 217 D C 1.702 177.988 176.300 -0.023 0.000 0.984 217 D CA 0.975 54.977 54.000 0.002 0.000 0.834 217 D CB 0.091 40.881 40.800 -0.017 0.000 0.955 217 D HN 0.447 nan 8.370 nan 0.000 0.465 218 N N -0.178 118.480 118.700 -0.070 0.000 2.250 218 N HA -0.053 4.688 4.740 0.003 0.000 0.181 218 N C 1.638 176.991 175.510 -0.262 0.000 1.017 218 N CA 0.574 53.501 53.050 -0.204 0.000 0.866 218 N CB -0.159 38.125 38.487 -0.338 0.000 0.985 218 N HN 0.235 nan 8.380 nan 0.000 0.429 219 F N -0.081 119.883 119.950 0.023 0.000 2.656 219 F HA 0.242 4.771 4.527 0.003 0.000 0.291 219 F C 1.805 177.624 175.800 0.032 0.000 1.122 219 F CA 0.298 58.321 58.000 0.038 0.000 1.427 219 F CB 0.284 39.314 39.000 0.049 0.000 1.125 219 F HN 0.055 nan 8.300 nan 0.000 0.583 220 G N 0.847 109.756 108.800 0.182 0.000 2.159 220 G HA2 -0.014 3.948 3.960 0.003 0.000 0.256 220 G HA3 -0.014 3.948 3.960 0.003 0.000 0.256 220 G C 0.028 174.997 174.900 0.114 0.000 0.977 220 G CA 0.040 45.204 45.100 0.107 0.000 0.652 220 G HN 0.880 nan 8.290 nan 0.000 0.531 221 A N -1.682 121.241 122.820 0.172 0.000 2.567 221 A HA 0.964 5.286 4.320 0.003 0.000 0.291 221 A C 0.034 177.719 177.584 0.168 0.000 1.048 221 A CA 0.260 52.380 52.037 0.137 0.000 0.661 221 A CB 0.031 19.083 19.000 0.087 0.000 1.288 221 A HN 2.124 nan 8.150 nan 0.000 0.424 222 A N -0.207 122.715 122.820 0.169 0.000 2.462 222 A HA 0.523 4.845 4.320 0.003 0.000 0.243 222 A C 0.637 178.255 177.584 0.058 0.000 1.076 222 A CA 0.665 52.843 52.037 0.235 0.000 0.773 222 A CB 0.268 19.415 19.000 0.245 0.000 1.010 222 A HN 1.985 nan 8.150 nan 0.000 0.493 223 L N 2.657 123.874 121.223 -0.010 0.000 2.586 223 L HA 0.389 4.731 4.340 0.003 0.000 0.204 223 L C 1.496 178.332 176.870 -0.057 0.000 1.053 223 L CA 1.377 56.098 54.840 -0.198 0.000 0.856 223 L CB -0.568 41.111 42.059 -0.634 0.000 1.192 223 L HN 0.762 nan 8.230 nan 0.000 0.484 224 G N -0.499 108.321 108.800 0.034 0.000 2.340 224 G HA2 0.361 4.323 3.960 0.003 0.000 0.245 224 G HA3 0.361 4.323 3.960 0.003 0.000 0.245 224 G C 0.958 175.916 174.900 0.096 0.000 1.294 224 G CA 0.264 45.413 45.100 0.083 0.000 0.896 224 G HN 1.048 nan 8.290 nan 0.000 0.522 225 G N 0.369 109.201 108.800 0.053 0.000 2.162 225 G HA2 -0.155 3.807 3.960 0.003 0.000 0.260 225 G HA3 -0.155 3.807 3.960 0.003 0.000 0.260 225 G C 0.578 175.483 174.900 0.009 0.000 0.976 225 G CA 1.140 46.257 45.100 0.029 0.000 0.655 225 G HN 1.522 nan 8.290 nan 0.000 0.533 226 S N -1.802 113.902 115.700 0.007 0.000 3.287 226 S HA 0.913 5.384 4.470 0.003 0.000 0.324 226 S C -1.473 173.117 174.600 -0.017 0.000 1.205 226 S CA 0.429 58.626 58.200 -0.005 0.000 1.020 226 S CB 0.962 64.158 63.200 -0.006 0.000 1.398 226 S HN 1.786 nan 8.310 nan 0.000 0.679 227 L N -0.472 120.736 121.223 -0.026 0.000 2.775 227 L HA 0.731 5.073 4.340 0.003 0.000 0.263 227 L C -1.757 175.097 176.870 -0.026 0.000 1.017 227 L CA -0.643 54.174 54.840 -0.038 0.000 0.891 227 L CB 1.005 43.049 42.059 -0.025 0.000 1.482 227 L HN 0.594 nan 8.230 nan 0.000 0.410 228 I N 1.694 122.251 120.570 -0.021 0.000 2.476 228 I HA 0.400 4.572 4.170 0.003 0.000 0.281 228 I C -2.187 173.975 176.117 0.074 0.000 1.040 228 I CA -1.167 60.156 61.300 0.038 0.000 1.094 228 I CB 2.555 40.588 38.000 0.054 0.000 1.219 228 I HN 0.537 nan 8.210 nan 0.000 0.450 229 P HA 0.029 nan 4.420 nan 0.000 0.228 229 P C -0.923 176.513 177.300 0.228 0.000 1.748 229 P CA 0.229 63.389 63.100 0.100 0.000 0.909 229 P CB -0.221 31.526 31.700 0.079 0.000 1.882 230 W N 2.177 123.478 121.300 0.002 0.000 3.889 230 W HA 0.349 5.010 4.660 0.003 0.000 0.310 230 W C -2.370 174.174 176.519 0.040 0.000 1.167 230 W CA -0.549 56.809 57.345 0.021 0.000 1.299 230 W CB 0.996 30.472 29.460 0.026 0.000 1.214 230 W HN -0.191 nan 8.180 nan 0.000 0.451 231 I N 6.931 127.521 120.570 0.033 0.000 2.478 231 I HA 0.236 4.407 4.170 0.003 0.000 0.287 231 I C 0.304 176.461 176.117 0.066 0.000 1.042 231 I CA -0.211 61.160 61.300 0.119 0.000 1.067 231 I CB 1.816 39.847 38.000 0.053 0.000 1.233 231 I HN 0.382 nan 8.210 nan 0.000 0.431 232 D N 4.083 124.600 120.400 0.195 0.000 5.019 232 D HA -0.157 4.484 4.640 0.003 0.000 0.304 232 D C -0.509 175.941 176.300 0.250 0.000 2.360 232 D CA 0.527 54.626 54.000 0.164 0.000 1.276 232 D CB 0.331 41.181 40.800 0.084 0.000 1.079 232 D HN 0.465 nan 8.370 nan 0.000 1.254 233 K N 0.212 120.714 120.400 0.170 0.000 2.237 233 K HA 0.336 4.658 4.320 0.003 0.000 0.270 233 K C 0.215 176.906 176.600 0.151 0.000 1.015 233 K CA -0.715 55.695 56.287 0.204 0.000 0.949 233 K CB 0.654 33.213 32.500 0.098 0.000 0.976 233 K HN 0.327 nan 8.250 nan 0.000 0.472 234 L N 4.345 125.735 121.223 0.277 0.000 2.380 234 L HA 0.153 4.495 4.340 0.003 0.000 0.273 234 L C -0.830 176.070 176.870 0.050 0.000 1.138 234 L CA 0.054 55.009 54.840 0.191 0.000 0.832 234 L CB 0.249 42.564 42.059 0.427 0.000 1.124 234 L HN 0.589 nan 8.230 nan 0.000 0.454 235 L N 8.412 129.622 121.223 -0.023 0.000 2.321 235 L HA 0.280 4.621 4.340 0.003 0.000 0.272 235 L C -1.189 175.666 176.870 -0.025 0.000 1.050 235 L CA -1.551 53.248 54.840 -0.069 0.000 0.893 235 L CB 1.065 43.032 42.059 -0.152 0.000 1.272 235 L HN 0.490 nan 8.230 nan 0.000 0.435 236 P HA -0.290 nan 4.420 nan 0.000 0.218 236 P C 1.207 178.507 177.300 0.001 0.000 1.152 236 P CA 1.440 64.547 63.100 0.011 0.000 0.857 236 P CB 0.377 32.083 31.700 0.010 0.000 0.787 237 E N 0.205 120.396 120.200 -0.015 0.000 2.130 237 E HA -0.196 4.156 4.350 0.003 0.000 0.196 237 E C 1.434 178.035 176.600 0.002 0.000 0.998 237 E CA 2.429 58.824 56.400 -0.008 0.000 0.806 237 E CB -0.170 29.521 29.700 -0.014 0.000 0.738 237 E HN 0.382 nan 8.360 nan 0.000 0.459 238 T N -5.321 109.237 114.554 0.007 0.000 2.986 238 T HA 0.382 4.734 4.350 0.003 0.000 0.264 238 T C 1.314 176.014 174.700 -0.000 0.000 0.964 238 T CA 0.565 62.670 62.100 0.009 0.000 0.895 238 T CB 0.989 69.880 68.868 0.038 0.000 1.163 238 T HN 0.351 nan 8.240 nan 0.000 0.517 239 G N 1.469 110.268 108.800 -0.001 0.000 2.199 239 G HA2 -0.258 3.704 3.960 0.003 0.000 0.254 239 G HA3 -0.258 3.704 3.960 0.003 0.000 0.254 239 G C -0.057 174.807 174.900 -0.061 0.000 0.982 239 G CA 0.240 45.336 45.100 -0.007 0.000 0.632 239 G HN 0.724 nan 8.290 nan 0.000 0.529 240 Q N 0.879 120.648 119.800 -0.052 0.000 2.317 240 Q HA 0.553 4.894 4.340 0.003 0.000 0.229 240 Q C 0.926 176.828 176.000 -0.163 0.000 0.984 240 Q CA 0.237 55.985 55.803 -0.092 0.000 0.911 240 Q CB 0.757 29.510 28.738 0.024 0.000 1.217 240 Q HN 0.503 nan 8.270 nan 0.000 0.501 241 T N -2.637 111.754 114.554 -0.272 0.000 2.874 241 T HA 0.184 4.536 4.350 0.003 0.000 0.281 241 T C 0.845 175.499 174.700 -0.077 0.000 0.994 241 T CA -0.837 61.073 62.100 -0.318 0.000 1.015 241 T CB 1.139 69.667 68.868 -0.566 0.000 1.028 241 T HN 0.667 nan 8.240 nan 0.000 0.523 242 K N -0.013 120.367 120.400 -0.034 0.000 2.147 242 K HA -0.176 4.145 4.320 0.003 0.000 0.205 242 K C 2.093 178.796 176.600 0.173 0.000 1.049 242 K CA 1.559 57.882 56.287 0.061 0.000 0.936 242 K CB -0.159 32.344 32.500 0.005 0.000 0.722 242 K HN 0.752 nan 8.250 nan 0.000 0.446 243 E N 1.213 121.458 120.200 0.074 0.000 2.051 243 E HA -0.194 4.158 4.350 0.003 0.000 0.192 243 E C 1.452 178.100 176.600 0.080 0.000 0.991 243 E CA 1.825 58.271 56.400 0.076 0.000 0.799 243 E CB 0.055 29.765 29.700 0.018 0.000 0.748 243 E HN 0.374 nan 8.360 nan 0.000 0.449 244 E N -0.960 119.263 120.200 0.038 0.000 2.150 244 E HA -0.143 4.209 4.350 0.003 0.000 0.193 244 E C 1.579 178.245 176.600 0.110 0.000 0.985 244 E CA 0.918 57.342 56.400 0.039 0.000 0.814 244 E CB -0.358 29.326 29.700 -0.027 0.000 0.752 244 E HN 0.435 nan 8.360 nan 0.000 0.466 245 W N 2.198 123.481 121.300 -0.030 0.000 2.363 245 W HA -0.164 4.497 4.660 0.003 0.000 0.296 245 W C 1.474 178.022 176.519 0.047 0.000 1.212 245 W CA 1.358 58.704 57.345 0.001 0.000 1.260 245 W CB 0.160 29.612 29.460 -0.013 0.000 1.131 245 W HN -0.156 nan 8.180 nan 0.000 0.530 246 K N -0.194 120.297 120.400 0.152 0.000 2.360 246 K HA -0.065 4.257 4.320 0.003 0.000 0.201 246 K C 2.290 178.814 176.600 -0.126 0.000 1.046 246 K CA 0.990 57.255 56.287 -0.038 0.000 0.945 246 K CB -0.708 31.874 32.500 0.136 0.000 0.750 246 K HN 0.345 nan 8.250 nan 0.000 0.464 247 G N 0.697 109.463 108.800 -0.057 0.000 2.459 247 G HA2 -0.304 3.657 3.960 0.003 0.000 0.217 247 G HA3 -0.304 3.657 3.960 0.003 0.000 0.217 247 G C 1.374 176.230 174.900 -0.073 0.000 1.183 247 G CA 0.811 45.892 45.100 -0.033 0.000 0.776 247 G HN 0.315 nan 8.290 nan 0.000 0.552 248 Y N 1.705 121.864 120.300 -0.235 0.000 2.206 248 Y HA 0.235 4.786 4.550 0.003 0.000 0.292 248 Y C 2.953 178.655 175.900 -0.330 0.000 1.123 248 Y CA 1.186 59.143 58.100 -0.238 0.000 1.142 248 Y CB -0.325 37.995 38.460 -0.234 0.000 1.006 248 Y HN 0.254 nan 8.280 nan 0.000 0.518 249 A N 0.422 123.017 122.820 -0.374 0.000 1.851 249 A HA -0.216 4.105 4.320 0.003 0.000 0.216 249 A C 2.090 179.476 177.584 -0.329 0.000 1.195 249 A CA 2.153 53.882 52.037 -0.513 0.000 0.622 249 A CB -0.771 17.470 19.000 -1.266 0.000 0.831 249 A HN 0.607 nan 8.150 nan 0.000 0.444 250 E N -1.147 118.888 120.200 -0.274 0.000 2.158 250 E HA -0.084 4.268 4.350 0.003 0.000 0.191 250 E C 2.085 178.578 176.600 -0.178 0.000 0.982 250 E CA 1.250 57.553 56.400 -0.163 0.000 0.823 250 E CB -0.256 29.391 29.700 -0.088 0.000 0.766 250 E HN 0.593 nan 8.360 nan 0.000 0.468 251 T N 1.591 116.011 114.554 -0.222 0.000 2.720 251 T HA -0.120 4.232 4.350 0.003 0.000 0.268 251 T C 1.601 176.131 174.700 -0.283 0.000 1.037 251 T CA 1.088 63.020 62.100 -0.279 0.000 1.144 251 T CB -0.146 68.542 68.868 -0.300 0.000 0.864 251 T HN 0.121 nan 8.240 nan 0.000 0.444 252 N N 0.620 119.147 118.700 -0.289 0.000 2.300 252 N HA -0.008 4.734 4.740 0.003 0.000 0.179 252 N C 1.861 177.272 175.510 -0.164 0.000 1.016 252 N CA 0.730 53.631 53.050 -0.248 0.000 0.876 252 N CB -0.097 38.186 38.487 -0.339 0.000 0.979 252 N HN 0.423 nan 8.380 nan 0.000 0.432 253 K N 1.193 121.506 120.400 -0.146 0.000 2.103 253 K HA 0.079 4.401 4.320 0.003 0.000 0.204 253 K C 2.016 178.573 176.600 -0.071 0.000 1.052 253 K CA 0.506 56.740 56.287 -0.088 0.000 0.945 253 K CB 0.047 32.507 32.500 -0.067 0.000 0.722 253 K HN 0.018 nan 8.250 nan 0.000 0.443 254 I N 1.064 121.579 120.570 -0.091 0.000 2.226 254 I HA -0.267 3.904 4.170 0.003 0.000 0.245 254 I C 1.796 177.872 176.117 -0.068 0.000 1.100 254 I CA 1.164 62.422 61.300 -0.071 0.000 1.374 254 I CB -0.037 37.902 38.000 -0.101 0.000 1.057 254 I HN 0.190 nan 8.210 nan 0.000 0.413 255 L N 0.315 121.473 121.223 -0.108 0.000 2.558 255 L HA 0.169 4.511 4.340 0.003 0.000 0.225 255 L C 1.366 178.209 176.870 -0.045 0.000 1.128 255 L CA 0.360 55.150 54.840 -0.082 0.000 0.868 255 L CB -0.427 41.558 42.059 -0.123 0.000 1.006 255 L HN 0.466 nan 8.230 nan 0.000 0.454 256 G N 1.149 109.921 108.800 -0.047 0.000 2.273 256 G HA2 -0.286 3.675 3.960 0.003 0.000 0.280 256 G HA3 -0.286 3.675 3.960 0.003 0.000 0.280 256 G C 0.338 175.219 174.900 -0.033 0.000 1.047 256 G CA 0.089 45.172 45.100 -0.028 0.000 0.869 256 G HN 0.363 nan 8.290 nan 0.000 0.502 257 L N 0.324 121.514 121.223 -0.055 0.000 3.073 257 L HA 0.233 4.575 4.340 0.003 0.000 0.242 257 L C 1.726 178.560 176.870 -0.059 0.000 1.317 257 L CA 0.006 54.816 54.840 -0.050 0.000 1.081 257 L CB 0.538 42.567 42.059 -0.050 0.000 1.456 257 L HN 0.181 nan 8.230 nan 0.000 0.525 258 S N -0.136 115.536 115.700 -0.047 0.000 2.595 258 S HA -0.088 4.383 4.470 0.003 0.000 0.235 258 S C 0.829 175.425 174.600 -0.007 0.000 0.974 258 S CA 0.900 59.081 58.200 -0.032 0.000 0.942 258 S CB -0.084 63.106 63.200 -0.017 0.000 0.766 258 S HN 0.536 nan 8.310 nan 0.000 0.536 259 D N 1.003 121.398 120.400 -0.008 0.000 2.380 259 D HA 0.125 4.767 4.640 0.003 0.000 0.212 259 D C 0.291 176.594 176.300 0.006 0.000 1.021 259 D CA 0.332 54.334 54.000 0.003 0.000 0.884 259 D CB 0.252 41.053 40.800 0.001 0.000 1.001 259 D HN 0.149 nan 8.370 nan 0.000 0.506 260 N N 1.059 119.756 118.700 -0.005 0.000 2.672 260 N HA 0.199 4.941 4.740 0.003 0.000 0.295 260 N C -2.759 172.742 175.510 -0.016 0.000 1.924 260 N CA -0.806 52.244 53.050 0.000 0.000 0.851 260 N CB 1.540 40.026 38.487 -0.002 0.000 1.281 260 N HN 0.001 nan 8.380 nan 0.000 0.494 261 P HA 0.055 nan 4.420 nan 0.000 0.265 261 P C -0.108 177.139 177.300 -0.089 0.000 1.187 261 P CA 0.197 63.220 63.100 -0.130 0.000 0.766 261 P CB 0.807 32.445 31.700 -0.103 0.000 0.820 262 I N 4.841 125.315 120.570 -0.160 0.000 2.339 262 I HA 0.263 4.434 4.170 0.003 0.000 0.290 262 I C -2.204 173.905 176.117 -0.015 0.000 0.994 262 I CA -3.320 57.972 61.300 -0.012 0.000 1.191 262 I CB 0.910 38.963 38.000 0.088 0.000 1.343 262 I HN 0.101 nan 8.210 nan 0.000 0.458 263 P HA 0.095 nan 4.420 nan 0.000 0.263 263 P C -0.670 176.814 177.300 0.306 0.000 1.195 263 P CA 0.203 63.538 63.100 0.391 0.000 0.762 263 P CB 0.594 32.470 31.700 0.293 0.000 0.799 264 V N 4.314 124.426 119.914 0.330 0.000 2.532 264 V HA 0.455 4.577 4.120 0.003 0.000 0.294 264 V C -0.511 175.690 176.094 0.178 0.000 1.036 264 V CA -0.225 62.200 62.300 0.209 0.000 0.876 264 V CB 1.984 33.871 31.823 0.107 0.000 1.012 264 V HN 0.469 nan 8.190 nan 0.000 0.432 265 D N 1.989 122.472 120.400 0.139 0.000 2.599 265 D HA 0.859 5.501 4.640 0.003 0.000 0.252 265 D C -0.016 176.333 176.300 0.082 0.000 1.232 265 D CA 0.673 54.718 54.000 0.077 0.000 0.819 265 D CB 2.816 43.626 40.800 0.017 0.000 1.401 265 D HN 0.835 nan 8.370 nan 0.000 0.429 266 G N -0.129 108.700 108.800 0.048 0.000 2.336 266 G HA2 0.346 4.308 3.960 0.003 0.000 0.286 266 G HA3 0.346 4.308 3.960 0.003 0.000 0.286 266 G C -1.897 173.005 174.900 0.004 0.000 1.269 266 G CA -0.711 44.418 45.100 0.048 0.000 0.873 266 G HN 0.428 nan 8.290 nan 0.000 0.494 267 L N 0.040 121.260 121.223 -0.005 0.000 2.333 267 L HA 0.529 4.871 4.340 0.003 0.000 0.280 267 L C -0.517 176.313 176.870 -0.066 0.000 1.004 267 L CA -0.794 54.017 54.840 -0.049 0.000 0.820 267 L CB 2.029 44.059 42.059 -0.048 0.000 1.247 267 L HN 0.544 nan 8.230 nan 0.000 0.416 268 C N 3.725 122.973 119.300 -0.087 0.000 2.255 268 C HA 0.604 5.066 4.460 0.003 0.000 0.326 268 C C 0.351 175.284 174.990 -0.096 0.000 1.258 268 C CA -0.711 58.252 59.018 -0.092 0.000 1.676 268 C CB 0.575 28.268 27.740 -0.079 0.000 2.314 268 C HN 0.455 nan 8.230 nan 0.000 0.509 269 V N 4.080 123.918 119.914 -0.126 0.000 2.555 269 V HA 0.528 4.649 4.120 0.003 0.000 0.302 269 V C -0.000 176.040 176.094 -0.090 0.000 1.038 269 V CA -0.708 61.527 62.300 -0.107 0.000 0.887 269 V CB 1.876 33.595 31.823 -0.173 0.000 0.991 269 V HN 0.771 nan 8.190 nan 0.000 0.434 270 R N 3.929 124.408 120.500 -0.034 0.000 2.308 270 R HA 0.717 5.058 4.340 0.003 0.000 0.305 270 R C -0.565 175.707 176.300 -0.047 0.000 1.053 270 R CA -0.111 55.976 56.100 -0.021 0.000 0.957 270 R CB 0.718 31.022 30.300 0.006 0.000 1.022 270 R HN 0.787 nan 8.270 nan 0.000 0.461 271 I N -0.540 120.023 120.570 -0.010 0.000 3.206 271 I HA 0.669 4.840 4.170 0.003 0.000 0.313 271 I C 0.334 176.448 176.117 -0.005 0.000 1.103 271 I CA -1.369 59.935 61.300 0.007 0.000 0.985 271 I CB 2.310 40.370 38.000 0.100 0.000 1.240 271 I HN 0.603 nan 8.210 nan 0.000 0.464 272 G N 1.751 110.554 108.800 0.006 0.000 3.213 272 G HA2 0.591 4.553 3.960 0.003 0.000 0.263 272 G HA3 0.591 4.553 3.960 0.003 0.000 0.263 272 G C -0.190 174.744 174.900 0.057 0.000 0.829 272 G CA 0.052 45.157 45.100 0.009 0.000 1.983 272 G HN 0.902 nan 8.290 nan 0.000 0.616 273 A N 1.067 123.937 122.820 0.083 0.000 2.374 273 A HA 0.716 5.037 4.320 0.003 0.000 0.317 273 A C 0.940 178.590 177.584 0.111 0.000 1.094 273 A CA -0.708 51.390 52.037 0.101 0.000 0.765 273 A CB 1.288 20.366 19.000 0.129 0.000 1.268 273 A HN 0.302 nan 8.150 nan 0.000 0.438 274 L N 0.594 121.873 121.223 0.093 0.000 2.007 274 L HA -0.011 4.331 4.340 0.003 0.000 0.205 274 L C 2.241 179.161 176.870 0.083 0.000 1.073 274 L CA 1.823 56.717 54.840 0.089 0.000 0.744 274 L CB -0.131 41.967 42.059 0.065 0.000 0.898 274 L HN 0.955 nan 8.230 nan 0.000 0.435 275 R N -2.548 117.987 120.500 0.059 0.000 2.549 275 R HA 0.280 4.622 4.340 0.003 0.000 0.399 275 R C -0.481 175.806 176.300 -0.023 0.000 0.964 275 R CA -0.375 55.733 56.100 0.013 0.000 1.173 275 R CB -0.401 29.898 30.300 -0.002 0.000 1.535 275 R HN 0.062 nan 8.270 nan 0.000 0.551 276 C N 2.541 121.866 119.300 0.041 0.000 2.322 276 C HA 0.522 4.984 4.460 0.003 0.000 0.324 276 C C -0.512 174.578 174.990 0.168 0.000 1.284 276 C CA -0.579 58.472 59.018 0.054 0.000 1.606 276 C CB 0.426 28.212 27.740 0.077 0.000 2.251 276 C HN 0.403 nan 8.230 nan 0.000 0.502 277 H N 1.305 120.412 119.070 0.061 0.000 2.502 277 H HA 0.549 5.106 4.556 0.003 0.000 0.327 277 H C 0.018 175.347 175.328 0.002 0.000 1.099 277 H CA 0.133 56.215 56.048 0.055 0.000 1.323 277 H CB 1.427 31.222 29.762 0.056 0.000 1.450 277 H HN 0.601 nan 8.280 nan 0.000 0.502 278 S N 2.221 117.981 115.700 0.099 0.000 2.600 278 S HA 0.583 5.055 4.470 0.003 0.000 0.300 278 S C -0.671 173.781 174.600 -0.247 0.000 1.087 278 S CA -0.927 57.166 58.200 -0.179 0.000 0.965 278 S CB 2.123 65.222 63.200 -0.168 0.000 1.089 278 S HN 0.527 nan 8.310 nan 0.000 0.496 279 Q N 0.478 119.839 119.800 -0.731 0.000 2.284 279 Q HA 0.631 4.973 4.340 0.003 0.000 0.269 279 Q C -1.468 173.933 176.000 -0.999 0.000 1.026 279 Q CA -0.740 54.671 55.803 -0.653 0.000 0.831 279 Q CB 2.251 30.571 28.738 -0.698 0.000 1.322 279 Q HN 0.737 nan 8.270 nan 0.000 0.419 280 A N 2.958 125.569 122.820 -0.348 0.000 2.276 280 A HA 0.793 5.115 4.320 0.003 0.000 0.316 280 A C -1.158 176.372 177.584 -0.090 0.000 1.229 280 A CA -0.266 51.734 52.037 -0.062 0.000 0.851 280 A CB 0.212 19.423 19.000 0.352 0.000 1.165 280 A HN 0.630 nan 8.150 nan 0.000 0.513 281 F N 0.660 120.698 119.950 0.146 0.000 2.492 281 F HA 0.535 5.063 4.527 0.003 0.000 0.327 281 F C 0.665 176.543 175.800 0.129 0.000 1.079 281 F CA -0.625 57.448 58.000 0.122 0.000 0.967 281 F CB 2.849 41.895 39.000 0.077 0.000 1.169 281 F HN 0.391 nan 8.300 nan 0.000 0.472 282 T N 3.899 118.673 114.554 0.367 0.000 2.934 282 T HA 0.466 4.818 4.350 0.003 0.000 0.328 282 T C -0.479 174.291 174.700 0.118 0.000 1.068 282 T CA -0.337 61.918 62.100 0.259 0.000 1.018 282 T CB 0.163 69.235 68.868 0.341 0.000 1.009 282 T HN 0.285 nan 8.240 nan 0.000 0.471 283 I N 3.329 123.875 120.570 -0.040 0.000 2.307 283 I HA 0.369 4.541 4.170 0.003 0.000 0.289 283 I C 0.235 176.035 176.117 -0.529 0.000 1.021 283 I CA -0.962 60.167 61.300 -0.284 0.000 1.224 283 I CB 1.190 39.051 38.000 -0.231 0.000 1.376 283 I HN 0.199 nan 8.210 nan 0.000 0.470 284 K N 8.020 127.795 120.400 -1.042 0.000 2.292 284 K HA 0.392 4.714 4.320 0.003 0.000 0.290 284 K C -0.872 175.233 176.600 -0.824 0.000 1.083 284 K CA -0.036 55.504 56.287 -1.245 0.000 0.918 284 K CB 0.176 31.359 32.500 -2.195 0.000 1.089 284 K HN 0.527 nan 8.250 nan 0.000 0.473 285 L N 4.951 125.820 121.223 -0.591 0.000 2.395 285 L HA 0.232 4.574 4.340 0.003 0.000 0.269 285 L C 1.309 177.966 176.870 -0.356 0.000 1.133 285 L CA -0.397 54.196 54.840 -0.412 0.000 0.812 285 L CB 0.946 42.827 42.059 -0.297 0.000 1.125 285 L HN 0.699 nan 8.230 nan 0.000 0.452 286 K N 1.327 121.564 120.400 -0.272 0.000 2.283 286 K HA -0.087 4.235 4.320 0.003 0.000 0.202 286 K C 0.030 176.537 176.600 -0.154 0.000 1.048 286 K CA 1.074 57.244 56.287 -0.196 0.000 0.948 286 K CB 0.080 32.487 32.500 -0.154 0.000 0.742 286 K HN 0.527 nan 8.250 nan 0.000 0.458 287 K N -0.104 120.205 120.400 -0.153 0.000 2.508 287 K HA 0.189 4.511 4.320 0.003 0.000 0.260 287 K C -1.531 175.003 176.600 -0.109 0.000 0.949 287 K CA -0.977 55.242 56.287 -0.112 0.000 0.834 287 K CB 1.573 34.021 32.500 -0.086 0.000 1.365 287 K HN -0.307 nan 8.250 nan 0.000 0.437 288 D N 2.817 123.169 120.400 -0.080 0.000 2.358 288 D HA 0.222 4.864 4.640 0.003 0.000 0.258 288 D C -0.794 175.474 176.300 -0.054 0.000 1.223 288 D CA 0.109 54.071 54.000 -0.063 0.000 0.886 288 D CB 0.339 41.115 40.800 -0.040 0.000 1.120 288 D HN 0.491 nan 8.370 nan 0.000 0.482 289 L N 4.307 125.496 121.223 -0.056 0.000 2.371 289 L HA 0.428 4.770 4.340 0.003 0.000 0.262 289 L C -2.307 174.542 176.870 -0.034 0.000 1.006 289 L CA -2.242 52.570 54.840 -0.046 0.000 0.818 289 L CB 2.401 44.426 42.059 -0.056 0.000 1.354 289 L HN 0.187 nan 8.230 nan 0.000 0.415 290 P HA 0.054 nan 4.420 nan 0.000 0.271 290 P C 0.490 177.780 177.300 -0.016 0.000 1.220 290 P CA -0.344 62.746 63.100 -0.017 0.000 0.768 290 P CB 0.812 32.504 31.700 -0.014 0.000 0.848 291 L N 4.529 125.746 121.223 -0.010 0.000 2.021 291 L HA -0.254 4.088 4.340 0.003 0.000 0.215 291 L C 2.083 178.951 176.870 -0.004 0.000 1.074 291 L CA 2.031 56.868 54.840 -0.006 0.000 0.760 291 L CB -0.962 41.099 42.059 0.002 0.000 0.889 291 L HN 0.488 nan 8.230 nan 0.000 0.433 292 E N -0.841 119.357 120.200 -0.003 0.000 2.118 292 E HA -0.317 4.035 4.350 0.003 0.000 0.195 292 E C 2.107 178.704 176.600 -0.005 0.000 0.992 292 E CA 1.570 57.968 56.400 -0.002 0.000 0.804 292 E CB -0.164 29.535 29.700 -0.002 0.000 0.741 292 E HN 0.745 nan 8.360 nan 0.000 0.458 293 E N 0.184 120.378 120.200 -0.010 0.000 2.107 293 E HA -0.139 4.213 4.350 0.003 0.000 0.191 293 E C 2.157 178.747 176.600 -0.016 0.000 0.982 293 E CA 0.741 57.132 56.400 -0.014 0.000 0.809 293 E CB -0.025 29.663 29.700 -0.019 0.000 0.756 293 E HN 0.354 nan 8.360 nan 0.000 0.459 294 I N 1.135 121.693 120.570 -0.019 0.000 2.179 294 I HA -0.246 3.925 4.170 0.003 0.000 0.242 294 I C 2.254 178.366 176.117 -0.009 0.000 1.088 294 I CA 1.303 62.589 61.300 -0.024 0.000 1.357 294 I CB -0.338 37.645 38.000 -0.029 0.000 1.051 294 I HN 0.155 nan 8.210 nan 0.000 0.409 295 E N 0.571 120.771 120.200 -0.001 0.000 2.118 295 E HA -0.276 4.075 4.350 0.003 0.000 0.195 295 E C 2.235 178.841 176.600 0.010 0.000 0.992 295 E CA 1.217 57.623 56.400 0.010 0.000 0.804 295 E CB -0.109 29.598 29.700 0.012 0.000 0.741 295 E HN 0.574 nan 8.360 nan 0.000 0.458 296 Q N 0.297 120.100 119.800 0.004 0.000 2.079 296 Q HA -0.117 4.225 4.340 0.003 0.000 0.200 296 Q C 2.307 178.313 176.000 0.009 0.000 0.974 296 Q CA 1.000 56.805 55.803 0.005 0.000 0.840 296 Q CB -0.064 28.674 28.738 -0.001 0.000 0.898 296 Q HN 0.333 nan 8.270 nan 0.000 0.430 297 I N 0.585 121.159 120.570 0.006 0.000 2.226 297 I HA -0.297 3.875 4.170 0.003 0.000 0.245 297 I C 2.186 178.323 176.117 0.034 0.000 1.100 297 I CA 1.176 62.484 61.300 0.013 0.000 1.374 297 I CB -0.275 37.723 38.000 -0.004 0.000 1.057 297 I HN 0.219 nan 8.210 nan 0.000 0.413 298 I N 0.843 121.428 120.570 0.024 0.000 2.179 298 I HA -0.262 3.910 4.170 0.003 0.000 0.242 298 I C 2.699 178.850 176.117 0.057 0.000 1.088 298 I CA 1.411 62.733 61.300 0.036 0.000 1.357 298 I CB -0.505 37.511 38.000 0.026 0.000 1.051 298 I HN 0.166 nan 8.210 nan 0.000 0.409 299 A N -0.303 122.542 122.820 0.041 0.000 2.172 299 A HA -0.102 4.220 4.320 0.003 0.000 0.216 299 A C 2.311 179.914 177.584 0.033 0.000 1.154 299 A CA 1.558 53.617 52.037 0.037 0.000 0.701 299 A CB -0.390 18.624 19.000 0.023 0.000 0.789 299 A HN 0.393 nan 8.150 nan 0.000 0.465 300 S N -1.599 114.125 115.700 0.039 0.000 2.503 300 S HA -0.004 4.468 4.470 0.003 0.000 0.217 300 S C 1.717 176.336 174.600 0.031 0.000 0.999 300 S CA 0.182 58.394 58.200 0.020 0.000 0.914 300 S CB -0.410 62.795 63.200 0.009 0.000 0.782 300 S HN 0.785 nan 8.310 nan 0.000 0.520 301 H N 3.176 122.241 119.070 -0.009 0.000 2.319 301 H HA -0.065 4.492 4.556 0.003 0.000 0.299 301 H C 0.424 175.751 175.328 -0.001 0.000 1.092 301 H CA 1.991 58.038 56.048 -0.001 0.000 1.302 301 H CB 0.084 29.851 29.762 0.008 0.000 1.373 301 H HN 0.588 nan 8.280 nan 0.000 0.497 302 N N -1.311 117.442 118.700 0.089 0.000 2.732 302 N HA -0.004 4.738 4.740 0.003 0.000 0.259 302 N C 0.170 175.638 175.510 -0.070 0.000 1.402 302 N CA -0.277 52.790 53.050 0.027 0.000 0.829 302 N CB 0.610 39.251 38.487 0.257 0.000 1.495 302 N HN 0.172 nan 8.380 nan 0.000 0.511 303 E N -0.861 119.141 120.200 -0.331 0.000 2.482 303 E HA -0.042 4.309 4.350 0.003 0.000 0.196 303 E C -0.158 176.148 176.600 -0.491 0.000 1.047 303 E CA 0.283 56.378 56.400 -0.508 0.000 0.869 303 E CB -0.112 29.116 29.700 -0.787 0.000 0.836 303 E HN 0.668 nan 8.360 nan 0.000 0.520 304 W N 1.368 122.691 121.300 0.039 0.000 2.683 304 W HA 0.243 4.904 4.660 0.002 0.000 0.267 304 W C 1.129 177.668 176.519 0.033 0.000 1.243 304 W CA -0.448 56.939 57.345 0.070 0.000 1.380 304 W CB 0.019 29.538 29.460 0.098 0.000 1.063 304 W HN -0.105 nan 8.180 nan 0.000 0.599 305 V N 3.130 123.156 119.914 0.186 0.000 2.763 305 V HA 0.020 4.142 4.120 0.003 0.000 0.306 305 V C 0.056 176.203 176.094 0.089 0.000 1.059 305 V CA 0.634 63.004 62.300 0.116 0.000 1.138 305 V CB 0.855 32.730 31.823 0.087 0.000 0.940 305 V HN 0.037 nan 8.190 nan 0.000 0.489 306 K N 5.532 125.983 120.400 0.085 0.000 2.613 306 K HA 0.470 4.791 4.320 0.003 0.000 0.248 306 K C -1.483 175.155 176.600 0.064 0.000 0.959 306 K CA -0.711 55.617 56.287 0.068 0.000 0.855 306 K CB 1.839 34.386 32.500 0.078 0.000 1.143 306 K HN 0.570 nan 8.250 nan 0.000 0.437 307 V N 6.064 126.008 119.914 0.051 0.000 2.415 307 V HA 0.133 4.255 4.120 0.003 0.000 0.267 307 V C 0.388 176.509 176.094 0.046 0.000 1.042 307 V CA -0.359 61.971 62.300 0.050 0.000 1.000 307 V CB 0.382 32.228 31.823 0.039 0.000 1.015 307 V HN 0.620 nan 8.190 nan 0.000 0.478 308 I N 7.811 128.414 120.570 0.054 0.000 2.325 308 I HA 0.338 4.509 4.170 0.003 0.000 0.291 308 I C -2.009 174.131 176.117 0.039 0.000 1.019 308 I CA -2.794 58.535 61.300 0.048 0.000 1.302 308 I CB 0.931 38.965 38.000 0.057 0.000 1.401 308 I HN 0.385 nan 8.210 nan 0.000 0.485 309 P HA -0.032 nan 4.420 nan 0.000 0.265 309 P C 0.261 177.573 177.300 0.019 0.000 1.187 309 P CA 0.058 63.170 63.100 0.021 0.000 0.766 309 P CB 0.356 32.065 31.700 0.016 0.000 0.820 310 N N 2.079 120.789 118.700 0.017 0.000 3.167 310 N HA -0.030 4.712 4.740 0.003 0.000 0.318 310 N C -0.778 174.733 175.510 0.003 0.000 1.268 310 N CA 0.153 53.210 53.050 0.011 0.000 1.197 310 N CB -0.859 37.636 38.487 0.014 0.000 1.464 310 N HN 0.333 nan 8.380 nan 0.000 0.555 311 D N -0.754 119.647 120.400 0.001 0.000 2.362 311 D HA 0.194 4.835 4.640 0.003 0.000 0.247 311 D C 0.988 177.283 176.300 -0.009 0.000 1.050 311 D CA -0.742 53.257 54.000 -0.003 0.000 0.839 311 D CB 1.355 42.156 40.800 0.001 0.000 1.283 311 D HN 0.049 nan 8.370 nan 0.000 0.477 312 K N 2.534 122.925 120.400 -0.014 0.000 2.001 312 K HA -0.254 4.068 4.320 0.003 0.000 0.214 312 K C 1.535 178.125 176.600 -0.016 0.000 1.050 312 K CA 1.738 58.013 56.287 -0.020 0.000 0.934 312 K CB -0.004 32.484 32.500 -0.020 0.000 0.718 312 K HN 0.639 nan 8.250 nan 0.000 0.443 313 E N 0.354 120.548 120.200 -0.009 0.000 2.070 313 E HA -0.215 4.137 4.350 0.003 0.000 0.197 313 E C 2.009 178.608 176.600 -0.002 0.000 1.004 313 E CA 1.825 58.221 56.400 -0.005 0.000 0.805 313 E CB -0.107 29.591 29.700 -0.002 0.000 0.744 313 E HN 0.447 nan 8.360 nan 0.000 0.451 314 I N 0.370 120.941 120.570 0.001 0.000 2.353 314 I HA -0.192 3.979 4.170 0.003 0.000 0.248 314 I C 2.388 178.510 176.117 0.008 0.000 1.119 314 I CA 1.084 62.388 61.300 0.007 0.000 1.417 314 I CB -0.334 37.673 38.000 0.011 0.000 1.078 314 I HN 0.145 nan 8.210 nan 0.000 0.421 315 T N 1.385 115.938 114.554 -0.001 0.000 2.708 315 T HA -0.136 4.216 4.350 0.003 0.000 0.266 315 T C 1.831 176.523 174.700 -0.013 0.000 1.037 315 T CA 1.265 63.360 62.100 -0.007 0.000 1.146 315 T CB -0.234 68.615 68.868 -0.032 0.000 0.865 315 T HN 0.088 nan 8.240 nan 0.000 0.435 316 L N 0.698 121.910 121.223 -0.019 0.000 2.265 316 L HA 0.085 4.427 4.340 0.003 0.000 0.215 316 L C 2.392 179.262 176.870 -0.000 0.000 1.117 316 L CA 1.422 56.252 54.840 -0.018 0.000 0.782 316 L CB -0.534 41.514 42.059 -0.019 0.000 0.914 316 L HN 0.138 nan 8.230 nan 0.000 0.441 317 R N -1.216 119.289 120.500 0.008 0.000 2.206 317 R HA 0.014 4.356 4.340 0.003 0.000 0.198 317 R C 1.463 177.780 176.300 0.027 0.000 0.986 317 R CA 0.538 56.648 56.100 0.016 0.000 1.029 317 R CB 0.408 30.718 30.300 0.016 0.000 0.966 317 R HN 0.266 nan 8.270 nan 0.000 0.487 318 E N -0.036 120.183 120.200 0.032 0.000 2.332 318 E HA -0.002 4.349 4.350 0.003 0.000 0.202 318 E C 0.117 176.755 176.600 0.063 0.000 0.877 318 E CA 0.060 56.488 56.400 0.047 0.000 0.979 318 E CB 0.285 30.012 29.700 0.047 0.000 0.969 318 E HN 0.073 nan 8.360 nan 0.000 0.495 319 L N 2.801 124.063 121.223 0.063 0.000 2.796 319 L HA 0.185 4.526 4.340 0.003 0.000 0.235 319 L C -0.345 176.595 176.870 0.116 0.000 1.344 319 L CA 0.269 55.173 54.840 0.106 0.000 1.245 319 L CB -0.593 41.533 42.059 0.113 0.000 1.556 319 L HN 0.019 nan 8.230 nan 0.000 0.423 320 T N -3.005 111.608 114.554 0.097 0.000 2.853 320 T HA 0.455 4.807 4.350 0.003 0.000 0.311 320 T C -2.392 172.358 174.700 0.084 0.000 1.307 320 T CA -1.417 60.736 62.100 0.089 0.000 1.019 320 T CB 1.747 70.643 68.868 0.047 0.000 1.264 320 T HN -0.168 nan 8.240 nan 0.000 0.497 321 P HA -0.049 nan 4.420 nan 0.000 0.216 321 P C 1.769 179.106 177.300 0.063 0.000 1.150 321 P CA 1.886 65.034 63.100 0.079 0.000 0.843 321 P CB -0.239 31.512 31.700 0.085 0.000 0.787 322 A N -0.241 122.612 122.820 0.055 0.000 1.917 322 A HA -0.278 4.043 4.320 0.003 0.000 0.219 322 A C 2.271 179.882 177.584 0.045 0.000 1.182 322 A CA 2.472 54.536 52.037 0.045 0.000 0.633 322 A CB -1.112 17.910 19.000 0.037 0.000 0.819 322 A HN 0.107 nan 8.150 nan 0.000 0.448 323 K N -0.526 119.904 120.400 0.050 0.000 2.076 323 K HA 0.026 4.348 4.320 0.003 0.000 0.204 323 K C 1.587 178.223 176.600 0.060 0.000 1.051 323 K CA 1.757 58.075 56.287 0.051 0.000 0.949 323 K CB -0.484 32.048 32.500 0.053 0.000 0.726 323 K HN 0.179 nan 8.250 nan 0.000 0.443 324 V N 1.042 120.997 119.914 0.068 0.000 2.591 324 V HA -0.051 4.070 4.120 0.003 0.000 0.249 324 V C 0.438 176.571 176.094 0.065 0.000 1.053 324 V CA 1.159 63.505 62.300 0.077 0.000 1.068 324 V CB -0.656 31.220 31.823 0.087 0.000 0.689 324 V HN 0.301 nan 8.190 nan 0.000 0.462 325 T N 1.676 116.263 114.554 0.054 0.000 2.718 325 T HA 0.240 4.592 4.350 0.003 0.000 0.265 325 T C 1.279 175.998 174.700 0.032 0.000 1.014 325 T CA 1.312 63.436 62.100 0.041 0.000 1.172 325 T CB -0.085 68.806 68.868 0.039 0.000 1.007 325 T HN 0.909 nan 8.240 nan 0.000 0.500 326 G N 2.873 111.684 108.800 0.019 0.000 2.162 326 G HA2 -0.255 3.706 3.960 0.003 0.000 0.260 326 G HA3 -0.255 3.706 3.960 0.003 0.000 0.260 326 G C 0.317 175.224 174.900 0.012 0.000 0.976 326 G CA 0.470 45.575 45.100 0.007 0.000 0.655 326 G HN 1.244 nan 8.290 nan 0.000 0.533 327 T N -2.520 112.054 114.554 0.033 0.000 2.930 327 T HA 0.722 5.074 4.350 0.003 0.000 0.290 327 T C 1.119 175.864 174.700 0.076 0.000 1.052 327 T CA -0.550 61.584 62.100 0.058 0.000 1.017 327 T CB 1.841 70.762 68.868 0.088 0.000 1.137 327 T HN 0.288 nan 8.240 nan 0.000 0.511 328 L N 0.982 122.279 121.223 0.123 0.000 2.591 328 L HA 0.251 4.593 4.340 0.003 0.000 0.228 328 L C 1.520 178.682 176.870 0.487 0.000 1.133 328 L CA -0.165 54.795 54.840 0.200 0.000 0.880 328 L CB -0.003 42.151 42.059 0.159 0.000 1.033 328 L HN 0.704 nan 8.230 nan 0.000 0.450 329 S N 0.246 116.152 115.700 0.344 0.000 2.549 329 S HA 0.266 4.738 4.470 0.003 0.000 0.279 329 S C -0.027 174.732 174.600 0.265 0.000 1.321 329 S CA -0.377 58.013 58.200 0.317 0.000 1.054 329 S CB 0.905 64.228 63.200 0.204 0.000 0.899 329 S HN -0.014 nan 8.310 nan 0.000 0.497 330 V N 8.365 128.420 119.914 0.234 0.000 2.266 330 V HA 0.355 4.476 4.120 0.003 0.000 0.266 330 V C -2.125 174.039 176.094 0.117 0.000 1.036 330 V CA -1.573 60.820 62.300 0.155 0.000 0.828 330 V CB 0.857 32.738 31.823 0.098 0.000 1.081 330 V HN 0.743 nan 8.190 nan 0.000 0.449 331 P HA 0.248 nan 4.420 nan 0.000 0.275 331 P C -0.708 176.645 177.300 0.087 0.000 1.227 331 P CA 0.106 63.263 63.100 0.095 0.000 0.781 331 P CB 2.564 34.322 31.700 0.096 0.000 0.906 332 V N 2.471 122.439 119.914 0.091 0.000 2.623 332 V HA 0.810 4.931 4.120 0.003 0.000 0.304 332 V C -0.246 175.912 176.094 0.108 0.000 1.054 332 V CA -0.070 62.291 62.300 0.101 0.000 0.882 332 V CB 1.579 33.466 31.823 0.106 0.000 1.002 332 V HN 0.871 nan 8.190 nan 0.000 0.424 333 G N 4.279 113.161 108.800 0.136 0.000 2.947 333 G HA2 0.598 4.560 3.960 0.003 0.000 0.293 333 G HA3 0.598 4.560 3.960 0.003 0.000 0.293 333 G C -0.410 174.564 174.900 0.123 0.000 1.243 333 G CA -0.561 44.607 45.100 0.112 0.000 0.802 333 G HN 0.821 nan 8.290 nan 0.000 0.560 334 R N -1.489 119.058 120.500 0.078 0.000 3.758 334 R HA -0.134 4.207 4.340 0.003 0.000 0.299 334 R C 0.051 176.395 176.300 0.073 0.000 1.182 334 R CA 0.316 56.452 56.100 0.059 0.000 0.809 334 R CB -2.621 27.715 30.300 0.060 0.000 1.249 334 R HN 0.452 nan 8.270 nan 0.000 0.497 335 L N 1.698 122.963 121.223 0.069 0.000 2.410 335 L HA 0.292 4.634 4.340 0.003 0.000 0.273 335 L C 1.231 178.127 176.870 0.044 0.000 1.144 335 L CA 0.361 55.239 54.840 0.063 0.000 0.863 335 L CB 0.470 42.561 42.059 0.054 0.000 1.140 335 L HN 0.283 nan 8.230 nan 0.000 0.463 336 R N 1.818 122.345 120.500 0.045 0.000 2.780 336 R HA 0.461 4.803 4.340 0.003 0.000 0.280 336 R C -1.651 174.673 176.300 0.040 0.000 1.016 336 R CA -1.222 54.899 56.100 0.034 0.000 0.854 336 R CB 0.894 31.213 30.300 0.031 0.000 1.293 336 R HN 0.073 nan 8.270 nan 0.000 0.483 337 K N 1.241 121.662 120.400 0.035 0.000 2.174 337 K HA 0.413 4.735 4.320 0.003 0.000 0.275 337 K C -0.087 176.547 176.600 0.056 0.000 1.015 337 K CA -0.520 55.795 56.287 0.047 0.000 0.933 337 K CB 0.918 33.441 32.500 0.039 0.000 1.025 337 K HN 0.461 nan 8.250 nan 0.000 0.463 338 L N 0.924 122.197 121.223 0.083 0.000 2.416 338 L HA 0.225 4.567 4.340 0.003 0.000 0.262 338 L C 1.473 178.354 176.870 0.018 0.000 1.093 338 L CA -0.311 54.562 54.840 0.055 0.000 0.801 338 L CB 0.971 43.071 42.059 0.067 0.000 1.191 338 L HN 0.729 nan 8.230 nan 0.000 0.459 339 A N 1.126 123.934 122.820 -0.020 0.000 2.172 339 A HA -0.089 4.232 4.320 0.003 0.000 0.216 339 A C 1.760 179.289 177.584 -0.091 0.000 1.154 339 A CA 1.103 53.118 52.037 -0.037 0.000 0.701 339 A CB -0.424 18.558 19.000 -0.031 0.000 0.789 339 A HN 0.759 nan 8.150 nan 0.000 0.465 340 M N -0.987 118.481 119.600 -0.221 0.000 2.562 340 M HA 0.257 4.738 4.480 0.003 0.000 0.257 340 M C 0.920 177.092 176.300 -0.212 0.000 1.099 340 M CA 1.075 56.109 55.300 -0.444 0.000 1.099 340 M CB -0.041 31.862 32.600 -1.161 0.000 1.427 340 M HN 0.465 nan 8.290 nan 0.000 0.489 341 G N -0.902 107.937 108.800 0.064 0.000 2.337 341 G HA2 0.140 4.102 3.960 0.003 0.000 0.310 341 G HA3 0.140 4.102 3.960 0.003 0.000 0.310 341 G C -2.742 172.308 174.900 0.250 0.000 1.534 341 G CA -0.984 44.265 45.100 0.249 0.000 0.982 341 G HN -0.129 nan 8.290 nan 0.000 0.672 342 P HA 0.011 nan 4.420 nan 0.000 0.236 342 P C 0.591 177.898 177.300 0.012 0.000 1.172 342 P CA 1.044 64.180 63.100 0.059 0.000 0.759 342 P CB 0.309 32.026 31.700 0.029 0.000 0.843 343 E N -1.616 118.578 120.200 -0.010 0.000 2.501 343 E HA 0.100 4.452 4.350 0.003 0.000 0.200 343 E C -0.562 175.811 176.600 -0.379 0.000 1.016 343 E CA -0.207 56.072 56.400 -0.202 0.000 0.921 343 E CB 0.078 29.615 29.700 -0.272 0.000 1.034 343 E HN 0.317 nan 8.360 nan 0.000 0.468 344 Y N 0.808 121.044 120.300 -0.107 0.000 2.334 344 Y HA 0.333 4.885 4.550 0.003 0.000 0.336 344 Y C -0.401 175.448 175.900 -0.085 0.000 0.960 344 Y CA -1.076 56.950 58.100 -0.124 0.000 1.164 344 Y CB 1.102 39.528 38.460 -0.056 0.000 1.155 344 Y HN -0.010 nan 8.280 nan 0.000 0.478 345 L N 3.581 124.805 121.223 0.002 0.000 2.317 345 L HA 0.913 5.255 4.340 0.003 0.000 0.281 345 L C -0.512 176.399 176.870 0.069 0.000 1.024 345 L CA -0.565 54.283 54.840 0.014 0.000 0.810 345 L CB 1.220 43.249 42.059 -0.049 0.000 1.240 345 L HN 0.631 nan 8.230 nan 0.000 0.427 346 A N 4.176 127.052 122.820 0.092 0.000 2.312 346 A HA 0.961 5.282 4.320 0.003 0.000 0.326 346 A C -0.687 176.988 177.584 0.152 0.000 1.172 346 A CA 0.105 52.221 52.037 0.132 0.000 0.821 346 A CB 0.968 20.034 19.000 0.109 0.000 1.166 346 A HN 1.331 nan 8.150 nan 0.000 0.493 347 A N 1.111 124.062 122.820 0.218 0.000 2.566 347 A HA 0.671 4.993 4.320 0.003 0.000 0.297 347 A C -1.591 176.121 177.584 0.212 0.000 1.059 347 A CA -0.329 51.852 52.037 0.241 0.000 0.691 347 A CB 0.833 20.017 19.000 0.307 0.000 1.282 347 A HN 1.456 nan 8.150 nan 0.000 0.401 348 F N 1.181 121.130 119.950 -0.001 0.000 2.529 348 F HA 0.770 5.299 4.527 0.003 0.000 0.320 348 F C 0.034 175.781 175.800 -0.089 0.000 1.118 348 F CA 0.115 58.038 58.000 -0.128 0.000 0.915 348 F CB 2.348 41.277 39.000 -0.119 0.000 1.161 348 F HN 0.686 nan 8.300 nan 0.000 0.445 349 T N 4.792 118.943 114.554 -0.671 0.000 2.903 349 T HA 0.773 5.124 4.350 0.003 0.000 0.299 349 T C -1.924 172.528 174.700 -0.412 0.000 1.093 349 T CA -0.486 61.427 62.100 -0.312 0.000 1.002 349 T CB 1.433 70.247 68.868 -0.090 0.000 1.127 349 T HN 0.400 nan 8.240 nan 0.000 0.488 350 V N 2.262 122.105 119.914 -0.118 0.000 2.656 350 V HA 0.915 5.036 4.120 0.003 0.000 0.307 350 V C 0.437 176.553 176.094 0.036 0.000 1.051 350 V CA -0.491 61.785 62.300 -0.040 0.000 0.893 350 V CB 1.756 33.614 31.823 0.058 0.000 0.999 350 V HN 1.163 nan 8.190 nan 0.000 0.426 351 G N 1.448 110.284 108.800 0.060 0.000 2.733 351 G HA2 0.440 4.402 3.960 0.003 0.000 0.297 351 G HA3 0.440 4.402 3.960 0.003 0.000 0.297 351 G C -1.644 173.303 174.900 0.079 0.000 1.422 351 G CA -0.489 44.670 45.100 0.099 0.000 0.942 351 G HN 0.595 nan 8.290 nan 0.000 0.510 352 D N 0.933 121.382 120.400 0.081 0.000 2.371 352 D HA 0.009 4.650 4.640 0.003 0.000 0.256 352 D C 1.087 177.370 176.300 -0.029 0.000 1.193 352 D CA -0.187 53.824 54.000 0.018 0.000 0.881 352 D CB 1.434 42.244 40.800 0.016 0.000 1.143 352 D HN 0.417 nan 8.370 nan 0.000 0.473 353 Q N 3.934 123.648 119.800 -0.144 0.000 2.167 353 Q HA -0.119 4.222 4.340 0.003 0.000 0.202 353 Q C 1.753 177.681 176.000 -0.119 0.000 0.970 353 Q CA 0.961 56.616 55.803 -0.246 0.000 0.855 353 Q CB 0.169 28.546 28.738 -0.601 0.000 0.911 353 Q HN 0.683 nan 8.270 nan 0.000 0.438 354 L N -0.014 121.155 121.223 -0.090 0.000 2.418 354 L HA -0.040 4.302 4.340 0.003 0.000 0.218 354 L C 1.980 178.799 176.870 -0.084 0.000 1.125 354 L CA 0.134 54.935 54.840 -0.066 0.000 0.835 354 L CB -0.037 41.991 42.059 -0.051 0.000 0.953 354 L HN 0.157 nan 8.230 nan 0.000 0.454 355 L N -1.925 119.232 121.223 -0.109 0.000 2.562 355 L HA 0.014 4.356 4.340 0.003 0.000 0.188 355 L C 2.014 178.739 176.870 -0.241 0.000 1.342 355 L CA 0.718 55.421 54.840 -0.228 0.000 1.104 355 L CB -0.626 41.256 42.059 -0.294 0.000 1.257 355 L HN 0.114 nan 8.230 nan 0.000 0.632 356 W N 0.291 121.526 121.300 -0.108 0.000 2.421 356 W HA -0.065 4.597 4.660 0.003 0.000 0.270 356 W C 2.068 178.543 176.519 -0.073 0.000 1.233 356 W CA 0.671 57.943 57.345 -0.122 0.000 1.226 356 W CB -0.260 29.124 29.460 -0.128 0.000 1.121 356 W HN 0.296 nan 8.180 nan 0.000 0.579 357 G N -1.021 107.859 108.800 0.134 0.000 2.985 357 G HA2 0.293 4.255 3.960 0.003 0.000 0.209 357 G HA3 0.293 4.255 3.960 0.003 0.000 0.209 357 G C 0.824 175.753 174.900 0.049 0.000 1.165 357 G CA 0.785 45.935 45.100 0.084 0.000 0.776 357 G HN 0.254 nan 8.290 nan 0.000 0.541 358 A N -0.569 122.262 122.820 0.018 0.000 1.868 358 A HA 0.655 4.977 4.320 0.003 0.000 0.132 358 A C 2.067 179.640 177.584 -0.018 0.000 1.440 358 A CA 1.218 53.260 52.037 0.008 0.000 2.235 358 A CB -1.005 17.994 19.000 -0.000 0.000 2.253 358 A HN 0.655 nan 8.150 nan 0.000 1.206 359 A N -0.108 122.677 122.820 -0.058 0.000 1.898 359 A HA -0.007 4.315 4.320 0.003 0.000 0.216 359 A C 1.784 179.284 177.584 -0.140 0.000 1.181 359 A CA 2.376 54.367 52.037 -0.078 0.000 0.620 359 A CB -0.528 18.424 19.000 -0.082 0.000 0.819 359 A HN 0.546 nan 8.150 nan 0.000 0.442 360 E N 0.111 120.156 120.200 -0.260 0.000 2.038 360 E HA -0.115 4.237 4.350 0.003 0.000 0.195 360 E C -0.641 175.813 176.600 -0.243 0.000 1.000 360 E CA 2.008 58.152 56.400 -0.428 0.000 0.803 360 E CB -1.022 28.071 29.700 -1.011 0.000 0.750 360 E HN 0.417 nan 8.360 nan 0.000 0.448 361 P HA -0.141 nan 4.420 nan 0.000 0.218 361 P C 1.277 178.583 177.300 0.010 0.000 1.148 361 P CA 0.989 64.122 63.100 0.055 0.000 0.822 361 P CB 0.101 31.874 31.700 0.121 0.000 0.784 362 V N -0.220 119.686 119.914 -0.014 0.000 2.307 362 V HA -0.199 3.923 4.120 0.003 0.000 0.245 362 V C 2.648 178.715 176.094 -0.045 0.000 1.045 362 V CA 1.686 63.979 62.300 -0.012 0.000 1.024 362 V CB -0.906 30.916 31.823 -0.002 0.000 0.651 362 V HN 0.062 nan 8.190 nan 0.000 0.449 363 R N 0.091 120.545 120.500 -0.075 0.000 2.081 363 R HA -0.145 4.197 4.340 0.003 0.000 0.235 363 R C 2.488 178.729 176.300 -0.100 0.000 1.131 363 R CA 1.565 57.607 56.100 -0.097 0.000 0.960 363 R CB -0.128 30.091 30.300 -0.136 0.000 0.856 363 R HN 0.431 nan 8.270 nan 0.000 0.436 364 R N -0.143 120.302 120.500 -0.091 0.000 2.115 364 R HA -0.085 4.257 4.340 0.003 0.000 0.226 364 R C 2.199 178.458 176.300 -0.068 0.000 1.100 364 R CA 1.039 57.103 56.100 -0.059 0.000 0.980 364 R CB -0.284 30.009 30.300 -0.011 0.000 0.875 364 R HN 0.224 nan 8.270 nan 0.000 0.445 365 I N 0.682 121.205 120.570 -0.078 0.000 2.406 365 I HA -0.143 4.029 4.170 0.003 0.000 0.249 365 I C 1.800 177.796 176.117 -0.201 0.000 1.122 365 I CA 0.895 62.108 61.300 -0.144 0.000 1.431 365 I CB -0.126 37.795 38.000 -0.132 0.000 1.087 365 I HN 0.044 nan 8.210 nan 0.000 0.424 366 L N 1.032 122.162 121.223 -0.154 0.000 2.017 366 L HA -0.219 4.123 4.340 0.003 0.000 0.208 366 L C 2.481 179.253 176.870 -0.163 0.000 1.073 366 L CA 2.179 56.919 54.840 -0.166 0.000 0.745 366 L CB -1.134 40.856 42.059 -0.116 0.000 0.894 366 L HN 0.298 nan 8.230 nan 0.000 0.432 367 K N -0.927 119.395 120.400 -0.131 0.000 2.044 367 K HA -0.270 4.051 4.320 0.003 0.000 0.210 367 K C 2.149 178.675 176.600 -0.123 0.000 1.049 367 K CA 2.189 58.409 56.287 -0.112 0.000 0.927 367 K CB -0.207 32.243 32.500 -0.083 0.000 0.713 367 K HN 0.553 nan 8.250 nan 0.000 0.443 368 Q N 0.217 119.932 119.800 -0.143 0.000 2.050 368 Q HA -0.146 4.195 4.340 0.003 0.000 0.202 368 Q C 2.232 178.101 176.000 -0.218 0.000 0.980 368 Q CA 1.704 57.410 55.803 -0.161 0.000 0.840 368 Q CB -0.108 28.525 28.738 -0.175 0.000 0.898 368 Q HN 0.367 nan 8.270 nan 0.000 0.424 369 L N 0.352 121.390 121.223 -0.307 0.000 2.191 369 L HA -0.126 4.216 4.340 0.003 0.000 0.212 369 L C 2.171 178.875 176.870 -0.278 0.000 1.103 369 L CA 0.686 55.279 54.840 -0.411 0.000 0.769 369 L CB -0.376 41.342 42.059 -0.568 0.000 0.908 369 L HN 0.214 nan 8.230 nan 0.000 0.438 370 V N -3.925 115.876 119.914 -0.188 0.000 3.647 370 V HA 0.386 4.508 4.120 0.003 0.000 0.279 370 V C 1.284 177.326 176.094 -0.087 0.000 1.314 370 V CA 0.004 62.232 62.300 -0.119 0.000 1.125 370 V CB -0.810 30.960 31.823 -0.089 0.000 0.907 370 V HN 0.165 nan 8.190 nan 0.000 0.434 371 A N 0.000 122.763 122.820 -0.095 0.000 2.254 371 A HA 0.000 4.322 4.320 0.003 0.000 0.244 371 A CA 0.000 51.997 52.037 -0.066 0.000 0.836 371 A CB 0.000 18.960 19.000 -0.067 0.000 0.831 371 A HN 0.000 nan 8.150 nan 0.000 0.486