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 2yxz_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRLKDLGERA LLARLAPLGY PPEAPLPPGD DAGGVWAEGR AWLLKTDGFL DATA SEQUENCE YREVALKGMG PFEVGFRGVA ATASDLLAKM GRPLGFTLGL FLPEDLEEGF DATA SEQUENCE VLELVRGAAE AAKRLGAFLL GGDTNRGVEV ALTVSGYALA EAPLPRKALP DATA SEQUENCE GDLLYLAGDR WGRTGAAIRA HYEGRSLEGF PKIREAAFYP LPRLELLALS DATA SEQUENCE GLLRGSLDSS DGLAETLWQL ADLGVGVEVE ALPLYPDVLA FAGSEEAALE DATA SEQUENCE LVLYGGEEFE AVLVVPQEGA AAVEARAKAK GLPLFRAGRV VAGEGVYLRG DATA SEQUENCE APLPR 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 0.000 176.297 176.300 -0.004 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 R N 1.807 122.304 120.500 -0.006 0.000 2.594 2 R HA 0.331 4.671 4.340 -0.000 0.000 0.272 2 R C 1.016 177.312 176.300 -0.006 0.000 1.074 2 R CA -0.309 55.788 56.100 -0.006 0.000 1.105 2 R CB 0.600 30.896 30.300 -0.007 0.000 1.008 2 R HN 0.661 nan 8.270 nan 0.000 0.472 3 L N 2.570 123.790 121.223 -0.005 0.000 2.043 3 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 3 L C 2.434 179.300 176.870 -0.006 0.000 1.075 3 L CA 1.747 56.585 54.840 -0.004 0.000 0.752 3 L CB -0.648 41.409 42.059 -0.003 0.000 0.891 3 L HN 0.705 nan 8.230 nan 0.000 0.432 4 K N -0.657 119.739 120.400 -0.006 0.000 2.211 4 K HA -0.191 4.129 4.320 -0.000 0.000 0.204 4 K C 0.944 177.538 176.600 -0.011 0.000 1.047 4 K CA 1.757 58.039 56.287 -0.008 0.000 0.935 4 K CB -0.260 32.236 32.500 -0.008 0.000 0.728 4 K HN 0.323 nan 8.250 nan 0.000 0.452 5 D N 0.770 121.163 120.400 -0.011 0.000 2.346 5 D HA 0.014 4.654 4.640 -0.000 0.000 0.206 5 D C 2.148 178.440 176.300 -0.013 0.000 1.001 5 D CA 0.945 54.938 54.000 -0.013 0.000 0.871 5 D CB 0.377 41.170 40.800 -0.011 0.000 0.943 5 D HN 0.293 nan 8.370 nan 0.000 0.518 6 L N 0.207 121.424 121.223 -0.011 0.000 2.202 6 L HA 0.491 4.831 4.340 -0.000 0.000 0.205 6 L C 1.424 178.287 176.870 -0.012 0.000 1.083 6 L CA 1.207 56.041 54.840 -0.011 0.000 0.790 6 L CB -1.375 40.680 42.059 -0.007 0.000 0.942 6 L HN 0.208 nan 8.230 nan 0.000 0.452 7 G N -1.211 107.582 108.800 -0.011 0.000 2.690 7 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 7 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 7 G C 0.208 175.104 174.900 -0.006 0.000 1.277 7 G CA 0.240 45.333 45.100 -0.012 0.000 0.799 7 G HN 0.762 nan 8.290 nan 0.000 0.613 8 E N 0.407 120.605 120.200 -0.004 0.000 2.158 8 E HA 0.001 4.350 4.350 -0.000 0.000 0.191 8 E C 2.989 179.590 176.600 0.003 0.000 0.982 8 E CA 1.775 58.176 56.400 0.003 0.000 0.823 8 E CB -0.155 29.550 29.700 0.008 0.000 0.766 8 E HN 0.952 nan 8.360 nan 0.000 0.468 9 R N 0.705 121.204 120.500 -0.002 0.000 2.081 9 R HA -0.002 4.338 4.340 -0.000 0.000 0.235 9 R C 2.284 178.583 176.300 -0.001 0.000 1.131 9 R CA 1.701 57.800 56.100 -0.001 0.000 0.960 9 R CB -1.493 28.803 30.300 -0.007 0.000 0.856 9 R HN 0.335 nan 8.270 nan 0.000 0.436 10 A N 0.466 123.284 122.820 -0.004 0.000 1.897 10 A HA 0.131 4.451 4.320 -0.000 0.000 0.215 10 A C 2.396 179.980 177.584 0.000 0.000 1.181 10 A CA 1.455 53.489 52.037 -0.003 0.000 0.620 10 A CB -0.420 18.576 19.000 -0.006 0.000 0.821 10 A HN 0.512 nan 8.150 nan 0.000 0.443 11 L N 0.173 121.397 121.223 0.001 0.000 1.970 11 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 11 L C 2.364 179.238 176.870 0.007 0.000 1.071 11 L CA 1.919 56.762 54.840 0.005 0.000 0.751 11 L CB -0.579 41.484 42.059 0.006 0.000 0.889 11 L HN 0.419 nan 8.230 nan 0.000 0.432 12 L N -0.502 120.725 121.223 0.007 0.000 2.043 12 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 12 L C 2.705 179.575 176.870 0.000 0.000 1.075 12 L CA 1.354 56.198 54.840 0.007 0.000 0.752 12 L CB -1.221 40.844 42.059 0.009 0.000 0.891 12 L HN 0.453 nan 8.230 nan 0.000 0.432 13 A N 0.301 123.121 122.820 -0.001 0.000 1.908 13 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 13 A C 2.374 179.957 177.584 -0.002 0.000 1.181 13 A CA 1.983 54.017 52.037 -0.005 0.000 0.627 13 A CB -0.513 18.487 19.000 -0.001 0.000 0.818 13 A HN 0.302 nan 8.150 nan 0.000 0.445 14 R N -0.015 120.487 120.500 0.003 0.000 2.096 14 R HA -0.001 4.339 4.340 -0.000 0.000 0.235 14 R C 1.765 178.071 176.300 0.011 0.000 1.127 14 R CA 1.717 57.821 56.100 0.007 0.000 0.968 14 R CB -0.637 29.667 30.300 0.007 0.000 0.861 14 R HN 0.537 nan 8.270 nan 0.000 0.440 15 L N -0.749 120.481 121.223 0.012 0.000 2.249 15 L HA 0.212 4.552 4.340 -0.000 0.000 0.207 15 L C 2.425 179.308 176.870 0.021 0.000 1.090 15 L CA 0.667 55.518 54.840 0.020 0.000 0.802 15 L CB -0.684 41.388 42.059 0.022 0.000 0.947 15 L HN 0.235 nan 8.230 nan 0.000 0.453 16 A N 1.657 124.477 122.820 0.001 0.000 1.909 16 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 16 A C 0.161 177.726 177.584 -0.031 0.000 1.223 16 A CA 2.546 54.564 52.037 -0.031 0.000 0.658 16 A CB -2.008 16.950 19.000 -0.070 0.000 0.831 16 A HN 0.360 nan 8.150 nan 0.000 0.462 17 P HA 0.082 nan 4.420 nan 0.000 0.227 17 P C 0.182 177.551 177.300 0.114 0.000 1.161 17 P CA 0.343 63.470 63.100 0.045 0.000 0.788 17 P CB -0.230 31.487 31.700 0.028 0.000 0.822 18 L N 0.757 122.030 121.223 0.084 0.000 2.700 18 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 18 L C 1.663 178.595 176.870 0.105 0.000 1.176 18 L CA 1.002 55.891 54.840 0.081 0.000 0.961 18 L CB -1.117 40.977 42.059 0.057 0.000 1.249 18 L HN 0.238 nan 8.230 nan 0.000 0.487 19 G N 2.606 111.461 108.800 0.092 0.000 2.189 19 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.267 19 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.267 19 G C 0.042 174.991 174.900 0.082 0.000 0.975 19 G CA -0.067 45.077 45.100 0.072 0.000 0.644 19 G HN 0.592 nan 8.290 nan 0.000 0.537 20 Y N 2.896 123.210 120.300 0.023 0.000 2.346 20 Y HA 0.470 5.019 4.550 -0.000 0.000 0.330 20 Y C -1.363 174.553 175.900 0.027 0.000 1.178 20 Y CA -1.484 56.630 58.100 0.022 0.000 1.331 20 Y CB 0.886 39.359 38.460 0.021 0.000 1.253 20 Y HN 0.109 nan 8.280 nan 0.000 0.529 21 P HA 0.074 nan 4.420 nan 0.000 0.265 21 P C -2.428 174.892 177.300 0.034 0.000 1.222 21 P CA -1.030 61.961 63.100 -0.181 0.000 0.767 21 P CB 1.126 32.656 31.700 -0.284 0.000 0.801 22 P HA -0.142 nan 4.420 nan 0.000 0.216 22 P C 0.589 177.975 177.300 0.144 0.000 1.150 22 P CA 1.934 65.108 63.100 0.124 0.000 0.843 22 P CB -0.007 31.746 31.700 0.088 0.000 0.787 23 E N -0.541 119.745 120.200 0.143 0.000 2.141 23 E HA 0.677 5.027 4.350 -0.000 0.000 0.259 23 E C -0.559 176.200 176.600 0.265 0.000 0.883 23 E CA -0.497 56.031 56.400 0.213 0.000 0.744 23 E CB 1.168 30.986 29.700 0.197 0.000 1.150 23 E HN 0.244 nan 8.360 nan 0.000 0.420 24 A N 2.773 125.745 122.820 0.254 0.000 2.594 24 A HA 0.893 5.213 4.320 -0.000 0.000 0.291 24 A C -2.219 175.279 177.584 -0.144 0.000 1.105 24 A CA -1.086 50.936 52.037 -0.024 0.000 0.694 24 A CB 1.759 20.708 19.000 -0.085 0.000 1.291 24 A HN 0.377 nan 8.150 nan 0.000 0.410 25 P HA 0.087 nan 4.420 nan 0.000 0.230 25 P C -0.244 176.922 177.300 -0.224 0.000 1.158 25 P CA 0.962 63.556 63.100 -0.843 0.000 0.769 25 P CB 0.060 30.925 31.700 -1.392 0.000 0.807 26 L N 0.244 121.417 121.223 -0.084 0.000 2.472 26 L HA 0.456 4.796 4.340 -0.000 0.000 0.260 26 L C -2.584 174.370 176.870 0.139 0.000 0.963 26 L CA -2.511 52.351 54.840 0.037 0.000 0.829 26 L CB 3.062 45.142 42.059 0.034 0.000 1.348 26 L HN -0.294 nan 8.230 nan 0.000 0.408 27 P HA 0.246 nan 4.420 nan 0.000 0.274 27 P C -2.774 174.352 177.300 -0.289 0.000 1.256 27 P CA -1.375 61.721 63.100 -0.007 0.000 0.795 27 P CB -0.019 31.672 31.700 -0.014 0.000 1.038 28 P HA 0.041 nan 4.420 nan 0.000 0.274 28 P C 0.737 177.786 177.300 -0.419 0.000 1.246 28 P CA 0.566 63.059 63.100 -1.013 0.000 0.795 28 P CB -0.075 31.134 31.700 -0.817 0.000 1.006 29 G N -0.119 108.489 108.800 -0.320 0.000 2.168 29 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.257 29 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.257 29 G C 0.213 175.064 174.900 -0.082 0.000 0.997 29 G CA 0.282 45.299 45.100 -0.139 0.000 0.708 29 G HN 0.672 nan 8.290 nan 0.000 0.520 30 D N -0.554 119.794 120.400 -0.087 0.000 2.478 30 D HA 0.236 4.876 4.640 -0.000 0.000 0.269 30 D C 1.197 177.505 176.300 0.014 0.000 1.232 30 D CA -0.435 53.551 54.000 -0.024 0.000 1.059 30 D CB 0.500 41.291 40.800 -0.016 0.000 1.104 30 D HN 0.015 nan 8.370 nan 0.000 0.566 31 D N -0.603 119.819 120.400 0.036 0.000 2.309 31 D HA 0.029 4.668 4.640 -0.000 0.000 0.212 31 D C 0.236 176.582 176.300 0.076 0.000 0.968 31 D CA 0.694 54.731 54.000 0.061 0.000 0.882 31 D CB 0.461 41.303 40.800 0.070 0.000 0.918 31 D HN 0.319 nan 8.370 nan 0.000 0.503 32 A N -0.594 122.267 122.820 0.069 0.000 2.581 32 A HA 0.641 4.961 4.320 -0.000 0.000 0.290 32 A C -0.390 177.260 177.584 0.110 0.000 1.119 32 A CA -0.221 51.869 52.037 0.089 0.000 0.670 32 A CB 1.384 20.433 19.000 0.081 0.000 1.280 32 A HN 0.089 nan 8.150 nan 0.000 0.425 33 G N -1.689 107.199 108.800 0.147 0.000 2.600 33 G HA2 0.841 4.800 3.960 -0.000 0.000 0.303 33 G HA3 0.841 4.800 3.960 -0.000 0.000 0.303 33 G C -0.206 174.752 174.900 0.097 0.000 1.253 33 G CA -0.323 44.921 45.100 0.239 0.000 0.974 33 G HN 1.892 nan 8.290 nan 0.000 0.483 34 G N -1.984 106.824 108.800 0.014 0.000 2.559 34 G HA2 0.746 4.706 3.960 -0.000 0.000 0.291 34 G HA3 0.746 4.706 3.960 -0.000 0.000 0.291 34 G C -1.215 173.548 174.900 -0.229 0.000 1.424 34 G CA 0.281 45.322 45.100 -0.099 0.000 0.786 34 G HN 1.781 nan 8.290 nan 0.000 0.485 35 V N -3.677 116.114 119.914 -0.205 0.000 3.159 35 V HA 0.855 4.975 4.120 -0.000 0.000 0.308 35 V C -1.424 174.571 176.094 -0.164 0.000 1.190 35 V CA -1.701 60.475 62.300 -0.206 0.000 1.037 35 V CB 1.800 33.584 31.823 -0.066 0.000 1.060 35 V HN 0.810 nan 8.190 nan 0.000 0.437 36 W N 1.172 122.515 121.300 0.071 0.000 2.338 36 W HA 0.815 5.475 4.660 -0.000 0.000 0.307 36 W C 0.203 176.787 176.519 0.108 0.000 1.167 36 W CA -0.031 57.372 57.345 0.098 0.000 1.208 36 W CB 1.681 31.176 29.460 0.059 0.000 1.228 36 W HN 0.993 nan 8.180 nan 0.000 0.499 37 A N 2.749 125.820 122.820 0.419 0.000 2.375 37 A HA 0.638 4.957 4.320 -0.000 0.000 0.295 37 A C 0.218 177.950 177.584 0.247 0.000 1.066 37 A CA -0.103 52.078 52.037 0.240 0.000 0.722 37 A CB 0.767 19.800 19.000 0.054 0.000 1.206 37 A HN 1.208 nan 8.150 nan 0.000 0.435 38 E N 1.168 121.452 120.200 0.140 0.000 2.183 38 E HA 0.219 4.569 4.350 -0.000 0.000 0.196 38 E C 1.878 178.572 176.600 0.156 0.000 1.364 38 E CA 1.477 57.946 56.400 0.116 0.000 0.700 38 E CB -2.196 27.555 29.700 0.085 0.000 1.106 38 E HN 2.915 nan 8.360 nan 0.000 0.347 39 G N -0.155 108.731 108.800 0.144 0.000 2.371 39 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.299 39 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.299 39 G C 0.169 175.185 174.900 0.193 0.000 1.014 39 G CA 0.802 45.974 45.100 0.120 0.000 1.097 39 G HN 1.162 nan 8.290 nan 0.000 0.512 40 R N -1.415 119.282 120.500 0.329 0.000 2.690 40 R HA 0.694 5.033 4.340 -0.000 0.000 0.269 40 R C -0.581 175.963 176.300 0.408 0.000 1.037 40 R CA -0.189 56.100 56.100 0.315 0.000 0.877 40 R CB 1.083 31.555 30.300 0.287 0.000 1.255 40 R HN 0.959 nan 8.270 nan 0.000 0.467 41 A N 1.503 124.392 122.820 0.115 0.000 2.253 41 A HA 0.606 4.926 4.320 -0.000 0.000 0.316 41 A C -1.386 176.026 177.584 -0.286 0.000 1.327 41 A CA -0.412 51.547 52.037 -0.130 0.000 0.917 41 A CB 0.152 18.960 19.000 -0.321 0.000 1.162 41 A HN 0.507 nan 8.150 nan 0.000 0.535 42 W N 3.526 124.748 121.300 -0.130 0.000 2.329 42 W HA 0.548 5.208 4.660 -0.000 0.000 0.312 42 W C -0.369 176.090 176.519 -0.099 0.000 1.054 42 W CA -0.292 56.990 57.345 -0.104 0.000 1.245 42 W CB 1.208 30.618 29.460 -0.083 0.000 1.255 42 W HN 0.463 nan 8.180 nan 0.000 0.436 43 L N 4.765 126.014 121.223 0.043 0.000 2.357 43 L HA 0.645 4.985 4.340 -0.000 0.000 0.273 43 L C -0.445 176.511 176.870 0.143 0.000 1.080 43 L CA -1.210 53.661 54.840 0.051 0.000 0.803 43 L CB 0.806 42.863 42.059 -0.004 0.000 1.174 43 L HN 0.212 nan 8.230 nan 0.000 0.443 44 L N 3.316 124.615 121.223 0.127 0.000 2.408 44 L HA 0.661 5.001 4.340 -0.000 0.000 0.268 44 L C -0.895 176.045 176.870 0.118 0.000 0.986 44 L CA -0.334 54.592 54.840 0.144 0.000 0.820 44 L CB 1.752 43.887 42.059 0.126 0.000 1.303 44 L HN 0.513 nan 8.230 nan 0.000 0.411 45 K N 1.879 122.350 120.400 0.119 0.000 2.525 45 K HA 0.783 5.103 4.320 -0.000 0.000 0.254 45 K C -1.649 175.014 176.600 0.105 0.000 0.934 45 K CA -0.262 56.094 56.287 0.114 0.000 0.802 45 K CB 2.175 34.749 32.500 0.124 0.000 1.295 45 K HN 0.587 nan 8.250 nan 0.000 0.433 46 T N 2.950 117.558 114.554 0.089 0.000 2.848 46 T HA 0.518 4.868 4.350 -0.000 0.000 0.285 46 T C -1.593 173.151 174.700 0.073 0.000 0.995 46 T CA -0.744 61.397 62.100 0.069 0.000 0.970 46 T CB 0.933 69.831 68.868 0.050 0.000 0.976 46 T HN 0.431 nan 8.240 nan 0.000 0.441 47 D N 1.616 122.052 120.400 0.060 0.000 2.757 47 D HA 0.551 5.191 4.640 -0.000 0.000 0.249 47 D C -0.098 176.222 176.300 0.032 0.000 1.168 47 D CA -0.261 53.796 54.000 0.095 0.000 0.870 47 D CB 2.263 43.145 40.800 0.137 0.000 1.411 47 D HN 0.688 nan 8.370 nan 0.000 0.525 48 G N 0.591 109.415 108.800 0.040 0.000 2.644 48 G HA2 0.825 4.785 3.960 -0.000 0.000 0.307 48 G HA3 0.825 4.785 3.960 -0.000 0.000 0.307 48 G C -1.153 173.763 174.900 0.027 0.000 1.250 48 G CA -0.769 44.257 45.100 -0.124 0.000 0.996 48 G HN 0.359 nan 8.290 nan 0.000 0.489 49 F N -2.101 117.880 119.950 0.052 0.000 2.765 49 F HA 0.469 4.996 4.527 -0.000 0.000 0.313 49 F C -1.527 174.310 175.800 0.062 0.000 1.136 49 F CA -1.609 56.416 58.000 0.042 0.000 0.952 49 F CB 0.713 39.724 39.000 0.018 0.000 1.268 49 F HN 0.439 nan 8.300 nan 0.000 0.441 50 L N 3.657 125.072 121.223 0.321 0.000 2.319 50 L HA 0.232 4.572 4.340 -0.000 0.000 0.280 50 L C 1.105 178.169 176.870 0.324 0.000 1.099 50 L CA -0.672 54.319 54.840 0.252 0.000 0.828 50 L CB 0.975 43.123 42.059 0.149 0.000 1.150 50 L HN 0.910 nan 8.230 nan 0.000 0.442 51 Y N 3.993 124.433 120.300 0.234 0.000 2.102 51 Y HA -0.416 4.133 4.550 -0.000 0.000 0.280 51 Y C 2.637 178.597 175.900 0.100 0.000 1.178 51 Y CA 2.691 60.916 58.100 0.209 0.000 1.146 51 Y CB 0.022 38.616 38.460 0.225 0.000 0.968 51 Y HN 0.701 nan 8.280 nan 0.000 0.504 52 R N 0.793 121.443 120.500 0.250 0.000 2.127 52 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 52 R C 1.896 178.189 176.300 -0.011 0.000 1.134 52 R CA 2.054 58.228 56.100 0.123 0.000 0.975 52 R CB -1.327 29.053 30.300 0.134 0.000 0.865 52 R HN 0.740 nan 8.270 nan 0.000 0.447 53 E N 0.228 120.423 120.200 -0.008 0.000 2.385 53 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 53 E C 1.998 178.499 176.600 -0.166 0.000 1.013 53 E CA 1.080 57.450 56.400 -0.050 0.000 0.866 53 E CB 0.413 30.123 29.700 0.016 0.000 0.832 53 E HN 0.560 nan 8.360 nan 0.000 0.500 54 V N -1.804 117.958 119.914 -0.253 0.000 3.263 54 V HA 0.340 4.460 4.120 -0.000 0.000 0.248 54 V C 1.122 176.914 176.094 -0.503 0.000 1.145 54 V CA 0.112 62.170 62.300 -0.403 0.000 1.107 54 V CB 0.072 31.551 31.823 -0.573 0.000 0.797 54 V HN 0.045 nan 8.190 nan 0.000 0.467 55 A N 1.985 124.467 122.820 -0.562 0.000 2.457 55 A HA 0.624 4.944 4.320 -0.000 0.000 0.298 55 A C -0.031 177.257 177.584 -0.494 0.000 1.288 55 A CA -0.134 51.545 52.037 -0.596 0.000 0.956 55 A CB -0.701 17.864 19.000 -0.726 0.000 1.135 55 A HN 0.591 nan 8.150 nan 0.000 0.535 56 L N 1.776 122.671 121.223 -0.547 0.000 2.416 56 L HA 0.501 4.841 4.340 -0.000 0.000 0.262 56 L C 1.269 178.026 176.870 -0.189 0.000 1.093 56 L CA -0.853 53.622 54.840 -0.608 0.000 0.801 56 L CB 0.609 42.366 42.059 -0.503 0.000 1.191 56 L HN 0.727 nan 8.230 nan 0.000 0.459 57 K N 0.837 121.381 120.400 0.239 0.000 2.511 57 K HA 0.310 4.630 4.320 -0.000 0.000 0.277 57 K C 1.063 177.762 176.600 0.165 0.000 1.025 57 K CA 0.699 57.112 56.287 0.210 0.000 1.112 57 K CB -0.997 31.625 32.500 0.203 0.000 0.859 57 K HN 0.985 nan 8.250 nan 0.000 0.485 58 G N 1.012 109.895 108.800 0.140 0.000 2.268 58 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.240 58 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.240 58 G C 0.499 175.493 174.900 0.158 0.000 1.010 58 G CA 0.356 45.597 45.100 0.235 0.000 0.618 58 G HN 0.759 nan 8.290 nan 0.000 0.516 59 M N 1.360 120.826 119.600 -0.223 0.000 2.235 59 M HA 0.526 5.006 4.480 -0.000 0.000 0.351 59 M C 1.080 177.277 176.300 -0.170 0.000 1.178 59 M CA 0.588 55.594 55.300 -0.489 0.000 1.143 59 M CB 1.262 33.339 32.600 -0.871 0.000 1.530 59 M HN 0.306 nan 8.290 nan 0.000 0.461 60 G N 1.795 110.547 108.800 -0.081 0.000 2.938 60 G HA2 0.515 4.475 3.960 -0.000 0.000 0.258 60 G HA3 0.515 4.475 3.960 -0.000 0.000 0.258 60 G C -2.532 172.387 174.900 0.032 0.000 1.356 60 G CA -1.071 44.053 45.100 0.039 0.000 1.052 60 G HN 0.370 nan 8.290 nan 0.000 0.550 61 P HA -0.067 nan 4.420 nan 0.000 0.217 61 P C 1.527 178.810 177.300 -0.027 0.000 1.150 61 P CA 0.641 63.623 63.100 -0.198 0.000 0.832 61 P CB 0.066 31.261 31.700 -0.841 0.000 0.787 62 F N 1.223 121.125 119.950 -0.081 0.000 2.095 62 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 62 F C 1.942 177.773 175.800 0.051 0.000 1.104 62 F CA 1.742 59.751 58.000 0.015 0.000 1.232 62 F CB -0.475 38.556 39.000 0.051 0.000 0.987 62 F HN -0.177 nan 8.300 nan 0.000 0.475 63 E N 0.022 120.289 120.200 0.113 0.000 2.077 63 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 63 E C 2.336 178.829 176.600 -0.179 0.000 0.989 63 E CA 1.528 57.853 56.400 -0.126 0.000 0.800 63 E CB -0.785 28.684 29.700 -0.384 0.000 0.746 63 E HN 0.302 nan 8.360 nan 0.000 0.452 64 V N 0.362 120.172 119.914 -0.172 0.000 2.343 64 V HA -0.190 3.929 4.120 -0.000 0.000 0.247 64 V C 2.228 178.307 176.094 -0.025 0.000 1.051 64 V CA 2.008 64.213 62.300 -0.160 0.000 1.036 64 V CB -1.082 30.690 31.823 -0.085 0.000 0.654 64 V HN 0.435 nan 8.190 nan 0.000 0.451 65 G N -1.107 107.679 108.800 -0.023 0.000 2.418 65 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 65 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 65 G C 1.578 176.399 174.900 -0.132 0.000 1.158 65 G CA 0.937 46.007 45.100 -0.051 0.000 0.771 65 G HN 0.467 nan 8.290 nan 0.000 0.545 66 F N 1.067 120.816 119.950 -0.335 0.000 2.075 66 F HA 0.012 4.539 4.527 -0.000 0.000 0.297 66 F C 2.814 178.462 175.800 -0.254 0.000 1.113 66 F CA 1.833 59.648 58.000 -0.309 0.000 1.218 66 F CB -0.098 38.753 39.000 -0.248 0.000 0.984 66 F HN 0.016 nan 8.300 nan 0.000 0.472 67 R N -0.016 120.463 120.500 -0.036 0.000 2.105 67 R HA -0.129 4.211 4.340 -0.000 0.000 0.239 67 R C 2.485 178.601 176.300 -0.308 0.000 1.135 67 R CA 1.260 57.242 56.100 -0.198 0.000 0.967 67 R CB -1.019 29.101 30.300 -0.299 0.000 0.861 67 R HN 0.498 nan 8.270 nan 0.000 0.442 68 G N -0.360 108.355 108.800 -0.141 0.000 2.446 68 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 68 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 68 G C 1.325 176.089 174.900 -0.226 0.000 1.168 68 G CA 0.935 46.092 45.100 0.095 0.000 0.771 68 G HN 0.227 nan 8.290 nan 0.000 0.551 69 V N 1.220 120.871 119.914 -0.438 0.000 2.488 69 V HA 0.017 4.137 4.120 -0.000 0.000 0.246 69 V C 3.246 178.897 176.094 -0.737 0.000 1.046 69 V CA 1.655 63.488 62.300 -0.778 0.000 1.053 69 V CB -0.448 30.841 31.823 -0.889 0.000 0.679 69 V HN 0.477 nan 8.190 nan 0.000 0.458 70 A N 0.268 122.715 122.820 -0.620 0.000 1.902 70 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 70 A C 2.432 179.710 177.584 -0.510 0.000 1.181 70 A CA 2.136 53.870 52.037 -0.505 0.000 0.623 70 A CB -0.768 17.988 19.000 -0.406 0.000 0.818 70 A HN 0.540 nan 8.150 nan 0.000 0.443 71 A N -0.967 121.418 122.820 -0.724 0.000 1.845 71 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 71 A C 2.328 179.591 177.584 -0.535 0.000 1.195 71 A CA 2.397 53.693 52.037 -1.235 0.000 0.616 71 A CB -1.463 16.672 19.000 -1.442 0.000 0.832 71 A HN 0.423 nan 8.150 nan 0.000 0.443 72 T N 0.418 114.787 114.554 -0.308 0.000 2.720 72 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 72 T C 2.168 176.896 174.700 0.047 0.000 1.037 72 T CA 1.718 63.781 62.100 -0.061 0.000 1.144 72 T CB -0.493 68.364 68.868 -0.018 0.000 0.864 72 T HN 0.614 nan 8.240 nan 0.000 0.444 73 A N 1.252 124.055 122.820 -0.028 0.000 1.902 73 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 73 A C 2.621 180.243 177.584 0.064 0.000 1.181 73 A CA 1.930 54.044 52.037 0.127 0.000 0.623 73 A CB -0.870 18.161 19.000 0.050 0.000 0.818 73 A HN 0.442 nan 8.150 nan 0.000 0.443 74 S N 0.177 115.873 115.700 -0.006 0.000 2.370 74 S HA -0.153 4.316 4.470 -0.000 0.000 0.226 74 S C 1.595 176.272 174.600 0.129 0.000 1.033 74 S CA 1.416 59.656 58.200 0.067 0.000 1.011 74 S CB -0.401 62.869 63.200 0.117 0.000 0.852 74 S HN 0.609 nan 8.310 nan 0.000 0.457 75 D N 1.341 121.831 120.400 0.150 0.000 2.117 75 D HA -0.006 4.634 4.640 -0.000 0.000 0.198 75 D C 1.931 178.295 176.300 0.107 0.000 0.982 75 D CA 0.741 54.832 54.000 0.152 0.000 0.828 75 D CB -0.274 40.627 40.800 0.168 0.000 0.967 75 D HN 0.324 nan 8.370 nan 0.000 0.464 76 L N 0.367 121.652 121.223 0.104 0.000 2.056 76 L HA -0.110 4.229 4.340 -0.000 0.000 0.207 76 L C 2.620 179.520 176.870 0.050 0.000 1.078 76 L CA 0.603 55.490 54.840 0.078 0.000 0.749 76 L CB -0.370 41.747 42.059 0.096 0.000 0.901 76 L HN 0.004 nan 8.230 nan 0.000 0.433 77 L N -0.224 121.034 121.223 0.058 0.000 2.046 77 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 77 L C 2.851 179.747 176.870 0.042 0.000 1.077 77 L CA 1.128 55.992 54.840 0.040 0.000 0.747 77 L CB -0.741 41.345 42.059 0.045 0.000 0.896 77 L HN 0.247 nan 8.230 nan 0.000 0.432 78 A N -0.508 122.349 122.820 0.062 0.000 2.024 78 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 78 A C 1.976 179.588 177.584 0.048 0.000 1.164 78 A CA 1.365 53.441 52.037 0.066 0.000 0.643 78 A CB -0.208 18.843 19.000 0.085 0.000 0.806 78 A HN 0.214 nan 8.150 nan 0.000 0.451 79 K N -1.024 119.397 120.400 0.036 0.000 2.417 79 K HA 0.219 4.539 4.320 -0.000 0.000 0.196 79 K C 0.041 176.639 176.600 -0.004 0.000 1.023 79 K CA -0.094 56.203 56.287 0.017 0.000 1.122 79 K CB 0.247 32.755 32.500 0.013 0.000 0.850 79 K HN 0.409 nan 8.250 nan 0.000 0.521 80 M N -0.634 118.965 119.600 -0.001 0.000 2.732 80 M HA -0.127 4.353 4.480 -0.000 0.000 0.207 80 M C 0.267 176.537 176.300 -0.050 0.000 0.513 80 M CA 0.739 56.028 55.300 -0.018 0.000 0.652 80 M CB -2.591 29.999 32.600 -0.015 0.000 2.410 80 M HN 0.176 nan 8.290 nan 0.000 0.660 81 G N 0.734 109.504 108.800 -0.050 0.000 2.356 81 G HA2 0.563 4.523 3.960 -0.000 0.000 0.322 81 G HA3 0.563 4.523 3.960 -0.000 0.000 0.322 81 G C 0.001 174.851 174.900 -0.083 0.000 1.125 81 G CA -0.679 44.365 45.100 -0.093 0.000 0.885 81 G HN 0.387 nan 8.290 nan 0.000 0.467 82 R N 3.426 123.847 120.500 -0.132 0.000 2.235 82 R HA 0.277 4.617 4.340 -0.000 0.000 0.338 82 R C -2.400 173.830 176.300 -0.117 0.000 1.087 82 R CA -1.484 54.551 56.100 -0.108 0.000 0.948 82 R CB 0.575 30.802 30.300 -0.123 0.000 1.099 82 R HN 0.202 nan 8.270 nan 0.000 0.483 83 P HA -0.081 nan 4.420 nan 0.000 0.261 83 P C -0.143 177.066 177.300 -0.152 0.000 1.183 83 P CA 0.457 63.484 63.100 -0.122 0.000 0.761 83 P CB 0.628 32.308 31.700 -0.034 0.000 0.785 84 L N 1.993 123.146 121.223 -0.118 0.000 2.537 84 L HA 0.416 4.756 4.340 -0.000 0.000 0.224 84 L C 1.151 178.090 176.870 0.114 0.000 1.065 84 L CA 0.314 55.156 54.840 0.002 0.000 0.860 84 L CB 0.122 42.169 42.059 -0.021 0.000 1.086 84 L HN 0.511 nan 8.230 nan 0.000 0.482 85 G N -0.790 108.001 108.800 -0.015 0.000 2.547 85 G HA2 0.533 4.493 3.960 -0.000 0.000 0.291 85 G HA3 0.533 4.493 3.960 -0.000 0.000 0.291 85 G C -1.971 172.530 174.900 -0.666 0.000 1.471 85 G CA -0.385 44.618 45.100 -0.163 0.000 0.798 85 G HN -0.198 nan 8.290 nan 0.000 0.504 86 F N 0.082 120.013 119.950 -0.032 0.000 2.588 86 F HA 0.761 5.288 4.527 -0.000 0.000 0.310 86 F C 0.411 176.147 175.800 -0.106 0.000 1.082 86 F CA -0.725 57.221 58.000 -0.091 0.000 0.929 86 F CB 2.936 41.896 39.000 -0.067 0.000 1.254 86 F HN 0.589 nan 8.300 nan 0.000 0.455 87 T N 0.466 115.065 114.554 0.075 0.000 2.876 87 T HA 0.835 5.185 4.350 -0.000 0.000 0.289 87 T C -1.133 173.562 174.700 -0.009 0.000 1.014 87 T CA -0.804 61.294 62.100 -0.003 0.000 0.986 87 T CB 1.689 70.516 68.868 -0.068 0.000 1.021 87 T HN 0.274 nan 8.240 nan 0.000 0.458 88 L N 1.786 122.987 121.223 -0.035 0.000 2.334 88 L HA 0.788 5.128 4.340 -0.000 0.000 0.276 88 L C 0.676 177.486 176.870 -0.099 0.000 1.014 88 L CA -0.463 54.336 54.840 -0.067 0.000 0.815 88 L CB 1.672 43.694 42.059 -0.062 0.000 1.268 88 L HN 1.073 nan 8.230 nan 0.000 0.428 89 G N 3.199 111.922 108.800 -0.128 0.000 2.487 89 G HA2 0.691 4.650 3.960 -0.000 0.000 0.314 89 G HA3 0.691 4.650 3.960 -0.000 0.000 0.314 89 G C -1.063 173.699 174.900 -0.230 0.000 1.267 89 G CA -0.359 44.628 45.100 -0.189 0.000 0.937 89 G HN 0.399 nan 8.290 nan 0.000 0.481 90 L N 1.675 122.711 121.223 -0.312 0.000 2.346 90 L HA 0.568 4.907 4.340 -0.000 0.000 0.276 90 L C -1.094 175.521 176.870 -0.426 0.000 1.006 90 L CA -0.826 53.868 54.840 -0.244 0.000 0.817 90 L CB 2.280 44.268 42.059 -0.118 0.000 1.272 90 L HN 0.378 nan 8.230 nan 0.000 0.421 91 F N 3.982 123.916 119.950 -0.027 0.000 2.445 91 F HA 0.561 5.088 4.527 -0.000 0.000 0.348 91 F C -0.336 175.448 175.800 -0.028 0.000 1.125 91 F CA -0.382 57.603 58.000 -0.026 0.000 0.983 91 F CB 1.309 40.293 39.000 -0.027 0.000 1.198 91 F HN 0.125 nan 8.300 nan 0.000 0.436 92 L N 4.769 126.049 121.223 0.095 0.000 2.362 92 L HA 0.660 5.000 4.340 -0.000 0.000 0.271 92 L C -2.684 174.183 176.870 -0.005 0.000 1.002 92 L CA -2.310 52.541 54.840 0.018 0.000 0.818 92 L CB 2.096 44.147 42.059 -0.014 0.000 1.298 92 L HN 0.270 nan 8.230 nan 0.000 0.420 93 P HA 0.219 nan 4.420 nan 0.000 0.275 93 P C 0.655 177.918 177.300 -0.061 0.000 1.227 93 P CA -0.122 62.943 63.100 -0.057 0.000 0.781 93 P CB 0.936 32.579 31.700 -0.095 0.000 0.906 94 E N 2.057 122.234 120.200 -0.038 0.000 2.130 94 E HA -0.250 4.099 4.350 -0.000 0.000 0.196 94 E C 1.249 177.823 176.600 -0.044 0.000 0.998 94 E CA 1.780 58.160 56.400 -0.033 0.000 0.806 94 E CB -1.340 28.348 29.700 -0.021 0.000 0.738 94 E HN 0.528 nan 8.360 nan 0.000 0.459 95 D N -0.647 119.720 120.400 -0.055 0.000 2.371 95 D HA 0.036 4.676 4.640 -0.000 0.000 0.221 95 D C 0.330 176.581 176.300 -0.081 0.000 0.986 95 D CA -0.010 53.955 54.000 -0.058 0.000 0.899 95 D CB -0.196 40.571 40.800 -0.056 0.000 0.902 95 D HN 0.279 nan 8.370 nan 0.000 0.530 96 L N 1.467 122.621 121.223 -0.114 0.000 2.483 96 L HA 0.122 4.462 4.340 -0.000 0.000 0.276 96 L C 0.844 177.671 176.870 -0.071 0.000 1.213 96 L CA 0.171 54.913 54.840 -0.163 0.000 0.843 96 L CB 0.258 42.176 42.059 -0.236 0.000 1.107 96 L HN 0.016 nan 8.230 nan 0.000 0.487 97 E N 2.254 122.433 120.200 -0.036 0.000 2.338 97 E HA 0.440 4.789 4.350 -0.000 0.000 0.272 97 E C 1.004 177.651 176.600 0.080 0.000 1.029 97 E CA 0.175 56.596 56.400 0.035 0.000 0.872 97 E CB 0.131 29.872 29.700 0.069 0.000 1.015 97 E HN 0.814 nan 8.360 nan 0.000 0.417 98 E N 1.263 121.500 120.200 0.061 0.000 2.160 98 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 98 E C 2.352 179.011 176.600 0.097 0.000 0.991 98 E CA 1.694 58.135 56.400 0.068 0.000 0.810 98 E CB -0.841 28.885 29.700 0.044 0.000 0.742 98 E HN 0.910 nan 8.360 nan 0.000 0.466 99 G N -0.909 107.951 108.800 0.100 0.000 2.448 99 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.219 99 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.219 99 G C 1.522 176.499 174.900 0.127 0.000 1.127 99 G CA 0.858 46.017 45.100 0.098 0.000 0.766 99 G HN 0.513 nan 8.290 nan 0.000 0.552 100 F N 1.016 120.974 119.950 0.013 0.000 2.134 100 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 100 F C 2.641 178.449 175.800 0.014 0.000 1.097 100 F CA 1.302 59.304 58.000 0.003 0.000 1.264 100 F CB 0.049 39.020 39.000 -0.048 0.000 1.001 100 F HN 0.013 nan 8.300 nan 0.000 0.479 101 V N 0.307 120.382 119.914 0.268 0.000 2.307 101 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 101 V C 2.431 178.571 176.094 0.076 0.000 1.045 101 V CA 1.197 63.597 62.300 0.166 0.000 1.024 101 V CB -0.723 31.172 31.823 0.121 0.000 0.651 101 V HN 0.288 nan 8.190 nan 0.000 0.449 102 L N -0.171 121.096 121.223 0.072 0.000 2.042 102 L HA -0.157 4.182 4.340 -0.000 0.000 0.210 102 L C 2.716 179.627 176.870 0.069 0.000 1.076 102 L CA 1.930 56.807 54.840 0.063 0.000 0.749 102 L CB -1.429 40.668 42.059 0.064 0.000 0.893 102 L HN 0.408 nan 8.230 nan 0.000 0.432 103 E N -0.061 120.169 120.200 0.051 0.000 2.058 103 E HA -0.200 4.149 4.350 -0.000 0.000 0.194 103 E C 2.420 179.053 176.600 0.054 0.000 0.997 103 E CA 0.875 57.329 56.400 0.091 0.000 0.801 103 E CB -0.277 29.422 29.700 -0.002 0.000 0.746 103 E HN 0.435 nan 8.360 nan 0.000 0.450 104 L N 0.353 121.546 121.223 -0.050 0.000 1.990 104 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 104 L C 2.602 179.449 176.870 -0.037 0.000 1.072 104 L CA 1.132 55.945 54.840 -0.044 0.000 0.755 104 L CB -0.578 41.483 42.059 0.003 0.000 0.889 104 L HN 0.020 nan 8.230 nan 0.000 0.432 105 V N -0.464 119.449 119.914 -0.002 0.000 2.343 105 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 105 V C 2.614 178.708 176.094 0.001 0.000 1.051 105 V CA 1.828 64.127 62.300 -0.002 0.000 1.036 105 V CB -0.726 31.110 31.823 0.021 0.000 0.654 105 V HN 0.447 nan 8.190 nan 0.000 0.451 106 R N 0.329 120.862 120.500 0.054 0.000 2.081 106 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 106 R C 2.376 178.667 176.300 -0.014 0.000 1.131 106 R CA 1.778 57.956 56.100 0.130 0.000 0.960 106 R CB -0.759 29.716 30.300 0.291 0.000 0.856 106 R HN 0.532 nan 8.270 nan 0.000 0.436 107 G N 0.061 108.645 108.800 -0.359 0.000 2.446 107 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 107 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 107 G C 1.525 176.191 174.900 -0.390 0.000 1.168 107 G CA 0.906 45.397 45.100 -1.015 0.000 0.771 107 G HN 0.496 nan 8.290 nan 0.000 0.551 108 A N 1.241 123.910 122.820 -0.251 0.000 1.883 108 A HA 0.197 4.516 4.320 -0.000 0.000 0.217 108 A C 2.847 180.323 177.584 -0.181 0.000 1.186 108 A CA 2.544 54.441 52.037 -0.234 0.000 0.624 108 A CB -0.938 17.967 19.000 -0.158 0.000 0.822 108 A HN 0.916 nan 8.150 nan 0.000 0.444 109 A N -0.503 122.273 122.820 -0.072 0.000 1.933 109 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 109 A C 1.949 179.538 177.584 0.008 0.000 1.175 109 A CA 2.197 54.238 52.037 0.005 0.000 0.628 109 A CB -0.463 18.573 19.000 0.060 0.000 0.814 109 A HN 0.599 nan 8.150 nan 0.000 0.444 110 E N 0.322 120.537 120.200 0.024 0.000 2.017 110 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 110 E C 2.099 178.726 176.600 0.045 0.000 0.997 110 E CA 1.766 58.247 56.400 0.135 0.000 0.804 110 E CB -0.559 29.336 29.700 0.325 0.000 0.757 110 E HN 0.437 nan 8.360 nan 0.000 0.448 111 A N 0.993 123.665 122.820 -0.247 0.000 1.892 111 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 111 A C 2.487 179.866 177.584 -0.341 0.000 1.188 111 A CA 2.614 54.213 52.037 -0.731 0.000 0.631 111 A CB -1.294 16.876 19.000 -1.382 0.000 0.822 111 A HN 0.427 nan 8.150 nan 0.000 0.447 112 A N -0.279 122.403 122.820 -0.230 0.000 1.883 112 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 112 A C 2.157 179.705 177.584 -0.060 0.000 1.186 112 A CA 2.203 54.221 52.037 -0.030 0.000 0.624 112 A CB -0.549 18.507 19.000 0.092 0.000 0.822 112 A HN 0.579 nan 8.150 nan 0.000 0.444 113 K N -0.538 119.822 120.400 -0.067 0.000 2.152 113 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 113 K C 2.330 178.893 176.600 -0.062 0.000 1.048 113 K CA 1.586 57.823 56.287 -0.083 0.000 0.933 113 K CB -0.316 32.181 32.500 -0.006 0.000 0.721 113 K HN 0.408 nan 8.250 nan 0.000 0.447 114 R N 0.875 121.359 120.500 -0.026 0.000 2.241 114 R HA -0.022 4.318 4.340 -0.000 0.000 0.224 114 R C 1.931 178.216 176.300 -0.024 0.000 1.101 114 R CA 1.568 57.668 56.100 -0.001 0.000 0.995 114 R CB -0.985 29.341 30.300 0.043 0.000 0.870 114 R HN 0.268 nan 8.270 nan 0.000 0.463 115 L N -1.014 120.182 121.223 -0.046 0.000 2.693 115 L HA 0.338 4.678 4.340 -0.000 0.000 0.235 115 L C 1.533 178.351 176.870 -0.087 0.000 1.127 115 L CA 0.422 55.240 54.840 -0.036 0.000 0.914 115 L CB 0.627 42.698 42.059 0.020 0.000 1.193 115 L HN 0.509 nan 8.230 nan 0.000 0.502 116 G N 0.687 109.398 108.800 -0.148 0.000 2.160 116 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.251 116 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.251 116 G C 0.296 174.928 174.900 -0.447 0.000 1.008 116 G CA 0.338 45.293 45.100 -0.241 0.000 0.724 116 G HN 0.508 nan 8.290 nan 0.000 0.514 117 A N -1.157 121.406 122.820 -0.428 0.000 2.284 117 A HA 1.013 5.333 4.320 -0.000 0.000 0.317 117 A C -0.354 176.806 177.584 -0.707 0.000 1.120 117 A CA -0.632 51.136 52.037 -0.449 0.000 0.900 117 A CB 1.086 20.007 19.000 -0.132 0.000 1.319 117 A HN 0.734 nan 8.150 nan 0.000 0.494 118 F N -1.822 118.176 119.950 0.079 0.000 2.650 118 F HA 0.560 5.087 4.527 -0.000 0.000 0.320 118 F C -0.393 175.477 175.800 0.116 0.000 1.091 118 F CA -0.596 57.458 58.000 0.090 0.000 0.962 118 F CB 1.607 40.642 39.000 0.058 0.000 1.363 118 F HN 0.290 nan 8.300 nan 0.000 0.482 119 L N 2.535 123.944 121.223 0.310 0.000 2.272 119 L HA 0.404 4.744 4.340 -0.000 0.000 0.289 119 L C -0.072 176.878 176.870 0.132 0.000 1.032 119 L CA -0.375 54.579 54.840 0.191 0.000 0.810 119 L CB 1.193 43.328 42.059 0.127 0.000 1.205 119 L HN 0.582 nan 8.230 nan 0.000 0.422 120 L N 3.814 125.078 121.223 0.068 0.000 2.783 120 L HA 0.359 4.699 4.340 -0.000 0.000 0.236 120 L C 1.067 177.930 176.870 -0.011 0.000 1.225 120 L CA -0.034 54.814 54.840 0.013 0.000 1.026 120 L CB -0.488 41.549 42.059 -0.037 0.000 1.314 120 L HN 0.994 nan 8.230 nan 0.000 0.489 121 G N -0.097 108.705 108.800 0.003 0.000 2.513 121 G HA2 0.155 4.115 3.960 -0.000 0.000 0.227 121 G HA3 0.155 4.115 3.960 -0.000 0.000 0.227 121 G C -0.012 174.872 174.900 -0.026 0.000 1.176 121 G CA -0.259 44.833 45.100 -0.013 0.000 0.967 121 G HN 0.754 nan 8.290 nan 0.000 0.587 122 G N -1.079 107.695 108.800 -0.044 0.000 2.334 122 G HA2 0.570 4.529 3.960 -0.000 0.000 0.249 122 G HA3 0.570 4.529 3.960 -0.000 0.000 0.249 122 G C -1.696 173.158 174.900 -0.076 0.000 1.327 122 G CA 0.955 46.018 45.100 -0.061 0.000 0.979 122 G HN 1.811 nan 8.290 nan 0.000 0.471 123 D N -0.897 119.439 120.400 -0.106 0.000 2.583 123 D HA 0.727 5.367 4.640 -0.000 0.000 0.248 123 D C -0.308 175.886 176.300 -0.177 0.000 1.209 123 D CA 0.564 54.487 54.000 -0.129 0.000 0.848 123 D CB 2.117 42.832 40.800 -0.142 0.000 1.431 123 D HN 0.938 nan 8.370 nan 0.000 0.436 124 T N -0.143 114.307 114.554 -0.173 0.000 2.912 124 T HA 0.744 5.094 4.350 -0.000 0.000 0.299 124 T C -0.866 173.712 174.700 -0.203 0.000 1.052 124 T CA -0.858 61.127 62.100 -0.192 0.000 0.996 124 T CB 1.379 70.184 68.868 -0.105 0.000 1.070 124 T HN 0.317 nan 8.240 nan 0.000 0.465 125 N N -0.034 118.516 118.700 -0.250 0.000 2.494 125 N HA 0.612 5.352 4.740 -0.000 0.000 0.270 125 N C -0.403 175.104 175.510 -0.005 0.000 1.285 125 N CA -0.821 52.144 53.050 -0.141 0.000 0.812 125 N CB 2.195 40.564 38.487 -0.198 0.000 1.557 125 N HN 0.990 nan 8.380 nan 0.000 0.487 126 R N -0.024 120.510 120.500 0.057 0.000 2.543 126 R HA 0.692 5.032 4.340 -0.000 0.000 0.277 126 R C 0.536 176.937 176.300 0.168 0.000 1.074 126 R CA 0.213 56.360 56.100 0.079 0.000 1.076 126 R CB -0.132 30.194 30.300 0.044 0.000 0.993 126 R HN 0.742 nan 8.270 nan 0.000 0.459 127 G N -1.036 107.842 108.800 0.130 0.000 2.684 127 G HA2 0.444 4.404 3.960 -0.000 0.000 0.290 127 G HA3 0.444 4.404 3.960 -0.000 0.000 0.290 127 G C 0.463 175.381 174.900 0.031 0.000 1.425 127 G CA 0.102 45.269 45.100 0.111 0.000 0.822 127 G HN 0.597 nan 8.290 nan 0.000 0.482 128 V N -0.105 119.806 119.914 -0.006 0.000 2.548 128 V HA 0.314 4.434 4.120 -0.000 0.000 0.249 128 V C 1.591 177.673 176.094 -0.020 0.000 1.055 128 V CA 2.787 65.076 62.300 -0.018 0.000 1.065 128 V CB -0.578 31.228 31.823 -0.028 0.000 0.681 128 V HN 1.082 nan 8.190 nan 0.000 0.462 129 E N -1.253 118.940 120.200 -0.011 0.000 2.408 129 E HA 0.607 4.957 4.350 -0.000 0.000 0.275 129 E C -0.852 175.764 176.600 0.025 0.000 0.935 129 E CA -0.543 55.854 56.400 -0.005 0.000 0.775 129 E CB 1.699 31.406 29.700 0.013 0.000 1.277 129 E HN -0.031 nan 8.360 nan 0.000 0.455 130 V N 0.637 120.556 119.914 0.009 0.000 2.493 130 V HA 0.522 4.642 4.120 -0.000 0.000 0.292 130 V C 0.528 176.728 176.094 0.176 0.000 1.016 130 V CA 0.740 63.075 62.300 0.059 0.000 1.097 130 V CB 0.020 31.815 31.823 -0.047 0.000 0.947 130 V HN 1.211 nan 8.190 nan 0.000 0.479 131 A N 5.855 128.790 122.820 0.191 0.000 2.515 131 A HA 0.926 5.246 4.320 -0.000 0.000 0.298 131 A C -1.305 176.354 177.584 0.124 0.000 1.059 131 A CA -0.607 51.533 52.037 0.170 0.000 0.698 131 A CB 1.856 20.935 19.000 0.131 0.000 1.289 131 A HN 0.929 nan 8.150 nan 0.000 0.404 132 L N 1.228 122.383 121.223 -0.113 0.000 2.445 132 L HA 0.902 5.242 4.340 -0.000 0.000 0.262 132 L C -0.297 176.258 176.870 -0.524 0.000 0.974 132 L CA 0.254 54.915 54.840 -0.298 0.000 0.822 132 L CB 2.567 44.414 42.059 -0.353 0.000 1.339 132 L HN 1.032 nan 8.230 nan 0.000 0.409 133 T N 1.309 115.679 114.554 -0.306 0.000 2.886 133 T HA 0.797 5.147 4.350 -0.000 0.000 0.292 133 T C -1.109 173.477 174.700 -0.190 0.000 1.012 133 T CA -0.685 61.268 62.100 -0.246 0.000 0.982 133 T CB 1.539 70.358 68.868 -0.081 0.000 1.018 133 T HN 0.459 nan 8.240 nan 0.000 0.451 134 V N 3.008 122.832 119.914 -0.150 0.000 2.407 134 V HA 0.594 4.714 4.120 -0.000 0.000 0.291 134 V C -0.101 175.996 176.094 0.004 0.000 1.018 134 V CA -0.675 61.575 62.300 -0.083 0.000 0.842 134 V CB 1.632 33.378 31.823 -0.129 0.000 0.996 134 V HN 1.106 nan 8.190 nan 0.000 0.426 135 S N 2.835 118.563 115.700 0.045 0.000 2.501 135 S HA 0.903 5.372 4.470 -0.000 0.000 0.301 135 S C 0.243 174.940 174.600 0.161 0.000 1.096 135 S CA -0.509 57.737 58.200 0.077 0.000 1.063 135 S CB 1.925 65.134 63.200 0.015 0.000 1.042 135 S HN 1.093 nan 8.310 nan 0.000 0.494 136 G N 1.512 110.419 108.800 0.177 0.000 2.696 136 G HA2 0.661 4.621 3.960 -0.000 0.000 0.295 136 G HA3 0.661 4.621 3.960 -0.000 0.000 0.295 136 G C -1.470 173.477 174.900 0.079 0.000 1.398 136 G CA -0.865 44.290 45.100 0.092 0.000 0.920 136 G HN 0.721 nan 8.290 nan 0.000 0.492 137 Y N -0.829 119.409 120.300 -0.102 0.000 2.549 137 Y HA 0.861 5.411 4.550 -0.000 0.000 0.339 137 Y C -0.112 175.762 175.900 -0.043 0.000 1.053 137 Y CA -1.475 56.626 58.100 0.002 0.000 1.105 137 Y CB 2.187 40.710 38.460 0.104 0.000 1.258 137 Y HN 0.852 nan 8.280 nan 0.000 0.478 138 A N 2.936 125.817 122.820 0.101 0.000 2.606 138 A HA 0.601 4.921 4.320 -0.000 0.000 0.293 138 A C -2.288 175.052 177.584 -0.407 0.000 1.082 138 A CA -0.988 50.966 52.037 -0.137 0.000 0.685 138 A CB 2.127 21.072 19.000 -0.091 0.000 1.284 138 A HN 0.920 nan 8.150 nan 0.000 0.408 139 L N 1.647 122.495 121.223 -0.625 0.000 2.280 139 L HA 0.732 5.072 4.340 -0.000 0.000 0.287 139 L C 0.032 176.603 176.870 -0.498 0.000 1.023 139 L CA -0.515 53.754 54.840 -0.952 0.000 0.819 139 L CB 1.179 42.560 42.059 -1.130 0.000 1.212 139 L HN 0.915 nan 8.230 nan 0.000 0.420 140 A N 3.905 126.476 122.820 -0.414 0.000 2.273 140 A HA 0.375 4.694 4.320 -0.000 0.000 0.315 140 A C 0.563 178.048 177.584 -0.165 0.000 1.256 140 A CA -0.541 51.361 52.037 -0.225 0.000 0.851 140 A CB 0.721 19.623 19.000 -0.163 0.000 1.172 140 A HN 0.925 nan 8.150 nan 0.000 0.508 141 E N 1.980 122.111 120.200 -0.115 0.000 2.150 141 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 141 E C 0.696 177.298 176.600 0.003 0.000 0.985 141 E CA 1.266 57.634 56.400 -0.053 0.000 0.814 141 E CB 0.150 29.823 29.700 -0.045 0.000 0.752 141 E HN 0.706 nan 8.360 nan 0.000 0.466 142 A N 2.052 124.868 122.820 -0.006 0.000 2.984 142 A HA 0.264 4.583 4.320 -0.000 0.000 0.320 142 A C -2.594 174.998 177.584 0.013 0.000 1.142 142 A CA -1.388 50.665 52.037 0.028 0.000 0.772 142 A CB 0.232 19.245 19.000 0.021 0.000 1.195 142 A HN -0.095 nan 8.150 nan 0.000 0.459 143 P HA 0.062 nan 4.420 nan 0.000 0.263 143 P C -0.629 176.677 177.300 0.009 0.000 1.175 143 P CA 0.178 63.264 63.100 -0.024 0.000 0.761 143 P CB 0.948 32.600 31.700 -0.079 0.000 0.794 144 L N 6.217 127.442 121.223 0.004 0.000 2.324 144 L HA 0.481 4.821 4.340 -0.000 0.000 0.274 144 L C -2.311 174.573 176.870 0.023 0.000 1.012 144 L CA -2.518 52.334 54.840 0.020 0.000 0.859 144 L CB 1.351 43.422 42.059 0.021 0.000 1.224 144 L HN 0.234 nan 8.230 nan 0.000 0.429 145 P HA 0.222 nan 4.420 nan 0.000 0.282 145 P C -0.938 176.380 177.300 0.030 0.000 1.287 145 P CA -0.653 62.463 63.100 0.028 0.000 0.792 145 P CB 0.833 32.554 31.700 0.035 0.000 1.163 146 R N 0.090 120.605 120.500 0.025 0.000 2.429 146 R HA 0.502 4.842 4.340 -0.000 0.000 0.302 146 R C 0.394 176.709 176.300 0.025 0.000 1.268 146 R CA 0.036 56.151 56.100 0.026 0.000 1.090 146 R CB -0.549 29.763 30.300 0.020 0.000 1.102 146 R HN 0.475 nan 8.270 nan 0.000 0.522 147 K N 0.770 121.186 120.400 0.028 0.000 2.498 147 K HA 0.799 5.119 4.320 -0.000 0.000 0.254 147 K C -1.467 175.148 176.600 0.025 0.000 0.933 147 K CA -0.391 55.912 56.287 0.027 0.000 0.806 147 K CB 2.322 34.840 32.500 0.031 0.000 1.301 147 K HN 0.569 nan 8.250 nan 0.000 0.432 148 A N 1.584 124.416 122.820 0.020 0.000 2.540 148 A HA 0.813 5.133 4.320 -0.000 0.000 0.297 148 A C -1.469 176.122 177.584 0.013 0.000 1.056 148 A CA -0.498 51.549 52.037 0.016 0.000 0.700 148 A CB 0.871 19.876 19.000 0.009 0.000 1.280 148 A HN 0.724 nan 8.150 nan 0.000 0.398 149 L N 1.970 123.200 121.223 0.013 0.000 2.362 149 L HA 0.516 4.856 4.340 -0.000 0.000 0.271 149 L C -2.525 174.348 176.870 0.005 0.000 1.002 149 L CA -2.396 52.450 54.840 0.010 0.000 0.818 149 L CB 2.465 44.532 42.059 0.013 0.000 1.298 149 L HN 0.387 nan 8.230 nan 0.000 0.420 150 P HA 0.051 nan 4.420 nan 0.000 0.264 150 P C 0.720 178.019 177.300 -0.001 0.000 1.183 150 P CA 0.959 64.057 63.100 -0.003 0.000 0.763 150 P CB 0.664 32.361 31.700 -0.004 0.000 0.807 151 G N 1.646 110.444 108.800 -0.005 0.000 2.213 151 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.226 151 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.226 151 G C 0.002 174.906 174.900 0.007 0.000 0.992 151 G CA -0.358 44.741 45.100 -0.002 0.000 0.632 151 G HN 0.491 nan 8.290 nan 0.000 0.511 152 D N 0.838 121.244 120.400 0.011 0.000 2.329 152 D HA 0.552 5.192 4.640 -0.000 0.000 0.246 152 D C 0.801 177.119 176.300 0.030 0.000 1.111 152 D CA -0.136 53.881 54.000 0.028 0.000 0.941 152 D CB 1.029 41.847 40.800 0.030 0.000 1.169 152 D HN 0.063 nan 8.370 nan 0.000 0.441 153 L N 1.178 122.445 121.223 0.073 0.000 2.360 153 L HA 0.391 4.731 4.340 -0.000 0.000 0.271 153 L C 0.019 176.941 176.870 0.087 0.000 1.057 153 L CA -0.850 54.029 54.840 0.065 0.000 0.803 153 L CB 0.744 42.899 42.059 0.159 0.000 1.207 153 L HN 0.256 nan 8.230 nan 0.000 0.445 154 L N 2.625 123.812 121.223 -0.059 0.000 2.280 154 L HA 0.460 4.800 4.340 -0.000 0.000 0.287 154 L C -1.143 175.628 176.870 -0.165 0.000 1.023 154 L CA 0.037 54.847 54.840 -0.051 0.000 0.819 154 L CB 0.672 42.674 42.059 -0.096 0.000 1.212 154 L HN 0.307 nan 8.230 nan 0.000 0.420 155 Y N 4.464 124.760 120.300 -0.006 0.000 2.524 155 Y HA 0.651 5.200 4.550 -0.000 0.000 0.344 155 Y C -0.574 175.352 175.900 0.043 0.000 1.012 155 Y CA -0.819 57.295 58.100 0.023 0.000 1.068 155 Y CB 2.056 40.536 38.460 0.034 0.000 1.249 155 Y HN 0.349 nan 8.280 nan 0.000 0.468 156 L N 2.696 124.060 121.223 0.236 0.000 2.333 156 L HA 0.795 5.134 4.340 -0.000 0.000 0.280 156 L C -0.315 176.788 176.870 0.387 0.000 1.004 156 L CA -0.928 54.010 54.840 0.163 0.000 0.820 156 L CB 1.592 43.439 42.059 -0.354 0.000 1.247 156 L HN 0.709 nan 8.230 nan 0.000 0.416 157 A N 2.243 125.346 122.820 0.472 0.000 2.282 157 A HA 0.917 5.237 4.320 -0.000 0.000 0.319 157 A C 0.408 178.278 177.584 0.475 0.000 1.121 157 A CA 0.239 52.511 52.037 0.390 0.000 0.836 157 A CB 1.138 20.289 19.000 0.252 0.000 1.146 157 A HN 0.989 nan 8.150 nan 0.000 0.494 158 G N 0.555 109.536 108.800 0.303 0.000 2.796 158 G HA2 0.107 4.067 3.960 -0.000 0.000 0.571 158 G HA3 0.107 4.067 3.960 -0.000 0.000 0.571 158 G C -0.441 174.624 174.900 0.276 0.000 1.370 158 G CA 0.497 45.712 45.100 0.191 0.000 0.856 158 G HN 1.790 nan 8.290 nan 0.000 0.538 159 D N -2.164 118.299 120.400 0.104 0.000 2.636 159 D HA 0.189 4.829 4.640 -0.000 0.000 0.270 159 D C 1.293 177.617 176.300 0.041 0.000 1.430 159 D CA -0.305 53.767 54.000 0.120 0.000 0.796 159 D CB 0.076 40.776 40.800 -0.168 0.000 1.117 159 D HN 0.516 nan 8.370 nan 0.000 0.480 160 R N -0.289 120.142 120.500 -0.114 0.000 2.310 160 R HA 0.164 4.504 4.340 -0.000 0.000 0.202 160 R C -0.272 175.983 176.300 -0.075 0.000 0.933 160 R CA -0.284 55.741 56.100 -0.126 0.000 1.054 160 R CB 0.085 30.259 30.300 -0.209 0.000 0.985 160 R HN 0.160 nan 8.270 nan 0.000 0.489 161 W N 1.123 122.523 121.300 0.167 0.000 2.347 161 W HA 0.054 4.714 4.660 -0.000 0.000 0.333 161 W C 1.504 178.044 176.519 0.036 0.000 1.383 161 W CA 1.160 58.536 57.345 0.052 0.000 1.283 161 W CB 0.262 29.689 29.460 -0.055 0.000 1.253 161 W HN 0.316 nan 8.180 nan 0.000 0.563 162 G N 1.784 110.696 108.800 0.187 0.000 2.347 162 G HA2 -0.423 3.536 3.960 -0.000 0.000 0.247 162 G HA3 -0.423 3.536 3.960 -0.000 0.000 0.247 162 G C 1.437 176.361 174.900 0.040 0.000 1.037 162 G CA 0.685 45.837 45.100 0.086 0.000 0.622 162 G HN 0.538 nan 8.290 nan 0.000 0.521 163 R N 0.333 120.871 120.500 0.063 0.000 2.073 163 R HA 0.071 4.411 4.340 -0.000 0.000 0.229 163 R C 3.057 179.307 176.300 -0.083 0.000 1.120 163 R CA 2.108 58.197 56.100 -0.019 0.000 0.967 163 R CB -0.557 29.758 30.300 0.024 0.000 0.862 163 R HN 0.624 nan 8.270 nan 0.000 0.436 164 T N -2.043 112.475 114.554 -0.060 0.000 2.821 164 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 164 T C 2.097 176.755 174.700 -0.070 0.000 1.046 164 T CA 1.142 63.200 62.100 -0.070 0.000 1.139 164 T CB -0.524 68.303 68.868 -0.069 0.000 0.871 164 T HN 0.339 nan 8.240 nan 0.000 0.454 165 G N 1.098 109.869 108.800 -0.047 0.000 2.422 165 G HA2 0.129 4.089 3.960 -0.000 0.000 0.218 165 G HA3 0.129 4.089 3.960 -0.000 0.000 0.218 165 G C 1.820 176.679 174.900 -0.068 0.000 1.140 165 G CA 0.663 45.752 45.100 -0.018 0.000 0.775 165 G HN 0.710 nan 8.290 nan 0.000 0.545 166 A N 1.172 123.876 122.820 -0.194 0.000 1.897 166 A HA 0.388 4.707 4.320 -0.000 0.000 0.215 166 A C 2.810 180.062 177.584 -0.554 0.000 1.181 166 A CA 1.946 53.672 52.037 -0.519 0.000 0.620 166 A CB -0.771 17.757 19.000 -0.786 0.000 0.821 166 A HN 0.681 nan 8.150 nan 0.000 0.443 167 A N 0.163 122.780 122.820 -0.339 0.000 1.883 167 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 167 A C 2.114 179.648 177.584 -0.083 0.000 1.186 167 A CA 1.641 53.561 52.037 -0.196 0.000 0.624 167 A CB -0.672 18.273 19.000 -0.092 0.000 0.822 167 A HN 0.497 nan 8.150 nan 0.000 0.444 168 I N -1.148 119.390 120.570 -0.054 0.000 2.226 168 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 168 I C 2.685 178.905 176.117 0.171 0.000 1.100 168 I CA 1.756 63.072 61.300 0.026 0.000 1.374 168 I CB -0.242 37.796 38.000 0.064 0.000 1.057 168 I HN 0.306 nan 8.210 nan 0.000 0.413 169 R N 1.658 122.252 120.500 0.158 0.000 2.081 169 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 169 R C 2.231 178.701 176.300 0.283 0.000 1.131 169 R CA 1.809 58.069 56.100 0.266 0.000 0.960 169 R CB -0.734 29.729 30.300 0.271 0.000 0.856 169 R HN 0.324 nan 8.270 nan 0.000 0.436 170 A N -0.417 122.529 122.820 0.211 0.000 1.940 170 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 170 A C 2.104 179.782 177.584 0.158 0.000 1.176 170 A CA 2.026 54.212 52.037 0.248 0.000 0.631 170 A CB -0.972 18.089 19.000 0.103 0.000 0.814 170 A HN 0.695 nan 8.150 nan 0.000 0.446 171 H N -1.936 117.136 119.070 0.003 0.000 2.270 171 H HA -0.181 4.375 4.556 -0.000 0.000 0.299 171 H C 1.717 176.986 175.328 -0.098 0.000 1.077 171 H CA 2.322 58.306 56.048 -0.107 0.000 1.294 171 H CB -0.404 29.186 29.762 -0.286 0.000 1.371 171 H HN 0.499 nan 8.280 nan 0.000 0.491 172 Y N 0.720 121.049 120.300 0.049 0.000 2.403 172 Y HA -0.061 4.489 4.550 -0.000 0.000 0.291 172 Y C 1.969 177.855 175.900 -0.023 0.000 1.143 172 Y CA 1.384 59.478 58.100 -0.010 0.000 1.257 172 Y CB 0.094 38.596 38.460 0.070 0.000 0.984 172 Y HN 0.479 nan 8.280 nan 0.000 0.550 173 E N -1.474 118.814 120.200 0.146 0.000 2.476 173 E HA 0.181 4.531 4.350 -0.000 0.000 0.199 173 E C 1.449 178.077 176.600 0.047 0.000 1.021 173 E CA 0.417 56.874 56.400 0.095 0.000 0.907 173 E CB 0.302 30.068 29.700 0.110 0.000 0.974 173 E HN 0.387 nan 8.360 nan 0.000 0.489 174 G N 2.773 111.579 108.800 0.010 0.000 2.225 174 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.267 174 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.267 174 G C -0.025 174.905 174.900 0.050 0.000 1.024 174 G CA 0.226 45.323 45.100 -0.005 0.000 0.784 174 G HN 0.134 nan 8.290 nan 0.000 0.507 175 R N 0.212 120.772 120.500 0.100 0.000 2.357 175 R HA 0.497 4.837 4.340 -0.000 0.000 0.296 175 R C 0.784 177.190 176.300 0.176 0.000 1.052 175 R CA 0.116 56.301 56.100 0.141 0.000 0.988 175 R CB 1.241 31.653 30.300 0.185 0.000 1.025 175 R HN 0.265 nan 8.270 nan 0.000 0.469 176 S N 2.345 118.147 115.700 0.170 0.000 2.562 176 S HA 0.089 4.559 4.470 -0.000 0.000 0.281 176 S C 0.927 175.693 174.600 0.276 0.000 1.333 176 S CA -0.489 57.814 58.200 0.172 0.000 1.052 176 S CB 0.434 63.710 63.200 0.125 0.000 0.884 176 S HN 0.558 nan 8.310 nan 0.000 0.506 177 L N 2.998 124.353 121.223 0.219 0.000 2.685 177 L HA 0.318 4.658 4.340 -0.000 0.000 0.233 177 L C 1.063 178.071 176.870 0.231 0.000 1.173 177 L CA 0.026 55.044 54.840 0.297 0.000 0.961 177 L CB -0.186 41.943 42.059 0.115 0.000 1.217 177 L HN 0.721 nan 8.230 nan 0.000 0.478 178 E N 0.400 120.683 120.200 0.137 0.000 2.360 178 E HA 0.250 4.599 4.350 -0.000 0.000 0.269 178 E C 0.980 177.544 176.600 -0.060 0.000 1.022 178 E CA 0.733 57.147 56.400 0.024 0.000 0.887 178 E CB 0.778 30.481 29.700 0.005 0.000 0.990 178 E HN 0.325 nan 8.360 nan 0.000 0.426 179 G N 3.778 112.488 108.800 -0.151 0.000 2.175 179 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 179 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 179 G C 0.039 174.594 174.900 -0.575 0.000 0.982 179 G CA 0.036 44.915 45.100 -0.369 0.000 0.641 179 G HN 0.498 nan 8.290 nan 0.000 0.527 180 F N 0.986 120.947 119.950 0.019 0.000 2.623 180 F HA 0.352 4.879 4.527 -0.000 0.000 0.361 180 F C -0.761 175.018 175.800 -0.035 0.000 1.469 180 F CA -1.572 56.437 58.000 0.014 0.000 1.126 180 F CB 1.232 40.256 39.000 0.041 0.000 1.221 180 F HN -0.025 nan 8.300 nan 0.000 0.536 181 P HA -0.218 nan 4.420 nan 0.000 0.217 181 P C 1.112 178.419 177.300 0.011 0.000 1.148 181 P CA 1.659 64.763 63.100 0.007 0.000 0.828 181 P CB 0.382 32.071 31.700 -0.019 0.000 0.783 182 K N -0.620 119.803 120.400 0.038 0.000 2.155 182 K HA 0.040 4.360 4.320 -0.000 0.000 0.203 182 K C 2.336 178.945 176.600 0.014 0.000 1.052 182 K CA 0.829 57.126 56.287 0.016 0.000 0.948 182 K CB -0.298 32.205 32.500 0.005 0.000 0.728 182 K HN 0.200 nan 8.250 nan 0.000 0.448 183 I N 0.648 121.239 120.570 0.034 0.000 2.353 183 I HA -0.205 3.964 4.170 -0.000 0.000 0.248 183 I C 2.628 178.727 176.117 -0.030 0.000 1.119 183 I CA 0.857 62.140 61.300 -0.028 0.000 1.417 183 I CB -0.138 37.791 38.000 -0.118 0.000 1.078 183 I HN 0.133 nan 8.210 nan 0.000 0.421 184 R N 1.030 121.507 120.500 -0.038 0.000 2.092 184 R HA -0.191 4.149 4.340 -0.000 0.000 0.231 184 R C 2.199 178.464 176.300 -0.059 0.000 1.119 184 R CA 1.450 57.470 56.100 -0.133 0.000 0.970 184 R CB -0.064 30.049 30.300 -0.311 0.000 0.864 184 R HN 0.343 nan 8.270 nan 0.000 0.440 185 E N -0.243 119.953 120.200 -0.007 0.000 2.072 185 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 185 E C 1.717 178.368 176.600 0.086 0.000 0.985 185 E CA 1.008 57.458 56.400 0.083 0.000 0.801 185 E CB -0.033 29.705 29.700 0.063 0.000 0.750 185 E HN 0.451 nan 8.360 nan 0.000 0.452 186 A N 0.866 123.710 122.820 0.039 0.000 1.972 186 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 186 A C 2.223 179.818 177.584 0.019 0.000 1.169 186 A CA 1.765 53.813 52.037 0.020 0.000 0.635 186 A CB -0.416 18.575 19.000 -0.014 0.000 0.810 186 A HN 0.386 nan 8.150 nan 0.000 0.446 187 A N -1.569 121.276 122.820 0.043 0.000 1.887 187 A HA 0.313 4.633 4.320 -0.000 0.000 0.212 187 A C 1.836 179.391 177.584 -0.049 0.000 1.198 187 A CA 0.977 53.022 52.037 0.012 0.000 0.628 187 A CB -0.494 18.541 19.000 0.057 0.000 0.847 187 A HN 0.368 nan 8.150 nan 0.000 0.449 188 F N -1.394 118.361 119.950 -0.325 0.000 2.163 188 F HA 0.049 4.576 4.527 -0.000 0.000 0.297 188 F C 0.355 175.579 175.800 -0.961 0.000 1.094 188 F CA 0.818 58.412 58.000 -0.677 0.000 1.290 188 F CB -0.265 38.233 39.000 -0.836 0.000 1.017 188 F HN 0.229 nan 8.300 nan 0.000 0.483 189 Y N 0.138 120.455 120.300 0.027 0.000 2.584 189 Y HA 0.316 4.866 4.550 -0.000 0.000 0.358 189 Y C -2.375 173.602 175.900 0.129 0.000 1.028 189 Y CA -3.405 54.592 58.100 -0.173 0.000 1.148 189 Y CB -0.259 37.908 38.460 -0.490 0.000 1.126 189 Y HN -0.169 nan 8.280 nan 0.000 0.658 190 P HA 0.068 nan 4.420 nan 0.000 0.252 190 P C 0.405 177.842 177.300 0.227 0.000 1.694 190 P CA 0.393 63.599 63.100 0.177 0.000 1.163 190 P CB -0.106 31.636 31.700 0.070 0.000 1.934 191 L N 5.391 126.776 121.223 0.271 0.000 2.628 191 L HA 0.138 4.478 4.340 -0.000 0.000 0.274 191 L C -1.265 175.649 176.870 0.073 0.000 1.209 191 L CA -1.107 53.863 54.840 0.217 0.000 0.930 191 L CB -1.416 40.752 42.059 0.181 0.000 1.183 191 L HN 0.281 nan 8.230 nan 0.000 0.492 192 P HA 0.295 nan 4.420 nan 0.000 0.271 192 P C -0.902 176.406 177.300 0.012 0.000 1.216 192 P CA -0.349 62.740 63.100 -0.018 0.000 0.776 192 P CB 0.576 32.236 31.700 -0.067 0.000 0.881 193 R N 2.766 123.278 120.500 0.021 0.000 2.287 193 R HA 0.290 4.630 4.340 -0.000 0.000 0.327 193 R C 1.362 177.677 176.300 0.025 0.000 1.109 193 R CA -0.502 55.615 56.100 0.028 0.000 1.013 193 R CB 0.243 30.566 30.300 0.038 0.000 1.126 193 R HN 0.487 nan 8.270 nan 0.000 0.503 194 L N 1.876 123.109 121.223 0.018 0.000 2.275 194 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 194 L C 1.215 178.092 176.870 0.012 0.000 1.119 194 L CA 1.121 55.967 54.840 0.011 0.000 0.790 194 L CB 0.003 42.064 42.059 0.003 0.000 0.919 194 L HN 0.553 nan 8.230 nan 0.000 0.443 195 E N -0.067 120.144 120.200 0.018 0.000 2.267 195 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 195 E C 1.963 178.575 176.600 0.021 0.000 0.998 195 E CA 0.807 57.218 56.400 0.019 0.000 0.830 195 E CB -0.262 29.454 29.700 0.027 0.000 0.751 195 E HN 0.247 nan 8.360 nan 0.000 0.491 196 L N -0.023 121.216 121.223 0.028 0.000 2.079 196 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 196 L C 1.949 178.828 176.870 0.015 0.000 1.081 196 L CA 1.361 56.219 54.840 0.031 0.000 0.752 196 L CB -0.539 41.545 42.059 0.041 0.000 0.896 196 L HN 0.210 nan 8.230 nan 0.000 0.433 197 L N -1.029 120.198 121.223 0.006 0.000 2.349 197 L HA -0.198 4.142 4.340 -0.000 0.000 0.220 197 L C 2.533 179.399 176.870 -0.007 0.000 1.130 197 L CA 0.766 55.602 54.840 -0.006 0.000 0.791 197 L CB -0.827 41.223 42.059 -0.015 0.000 0.918 197 L HN 0.292 nan 8.230 nan 0.000 0.444 198 A N 0.011 122.830 122.820 -0.002 0.000 2.070 198 A HA -0.093 4.226 4.320 -0.000 0.000 0.220 198 A C 1.987 179.565 177.584 -0.010 0.000 1.159 198 A CA 1.143 53.177 52.037 -0.005 0.000 0.656 198 A CB -0.411 18.589 19.000 -0.001 0.000 0.800 198 A HN 0.461 nan 8.150 nan 0.000 0.453 199 L N -0.209 121.009 121.223 -0.009 0.000 2.653 199 L HA 0.129 4.468 4.340 -0.000 0.000 0.231 199 L C 0.997 177.860 176.870 -0.011 0.000 1.153 199 L CA -0.269 54.562 54.840 -0.015 0.000 0.933 199 L CB -0.013 42.035 42.059 -0.018 0.000 1.175 199 L HN 0.283 nan 8.230 nan 0.000 0.473 200 S N 0.756 116.450 115.700 -0.009 0.000 2.596 200 S HA 0.219 4.688 4.470 -0.000 0.000 0.298 200 S C 1.382 175.979 174.600 -0.006 0.000 1.255 200 S CA 0.846 59.041 58.200 -0.009 0.000 1.083 200 S CB 0.171 63.362 63.200 -0.016 0.000 0.837 200 S HN 0.704 nan 8.310 nan 0.000 0.499 201 G N 3.652 112.452 108.800 0.001 0.000 2.148 201 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.254 201 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.254 201 G C 0.405 175.306 174.900 0.002 0.000 0.981 201 G CA 0.521 45.624 45.100 0.005 0.000 0.670 201 G HN 0.750 nan 8.290 nan 0.000 0.528 202 L N -0.968 120.252 121.223 -0.004 0.000 2.781 202 L HA 0.474 4.813 4.340 -0.000 0.000 0.245 202 L C 1.242 178.106 176.870 -0.011 0.000 1.118 202 L CA -0.091 54.742 54.840 -0.011 0.000 0.918 202 L CB 0.197 42.241 42.059 -0.024 0.000 1.246 202 L HN 0.125 nan 8.230 nan 0.000 0.526 203 L N -0.488 120.733 121.223 -0.003 0.000 2.358 203 L HA 0.377 4.716 4.340 -0.000 0.000 0.268 203 L C 1.237 178.117 176.870 0.017 0.000 1.032 203 L CA -0.479 54.364 54.840 0.004 0.000 0.805 203 L CB 1.373 43.437 42.059 0.009 0.000 1.253 203 L HN -0.102 nan 8.230 nan 0.000 0.452 204 R N 0.764 121.278 120.500 0.023 0.000 2.080 204 R HA 0.249 4.589 4.340 -0.000 0.000 0.222 204 R C 0.291 176.610 176.300 0.032 0.000 1.107 204 R CA 1.085 57.202 56.100 0.028 0.000 0.980 204 R CB 0.074 30.392 30.300 0.029 0.000 0.879 204 R HN 0.831 nan 8.270 nan 0.000 0.439 205 G N -1.977 106.845 108.800 0.035 0.000 2.489 205 G HA2 0.459 4.419 3.960 -0.000 0.000 0.305 205 G HA3 0.459 4.419 3.960 -0.000 0.000 0.305 205 G C -1.558 173.370 174.900 0.046 0.000 1.311 205 G CA -0.112 45.010 45.100 0.038 0.000 0.813 205 G HN 0.466 nan 8.290 nan 0.000 0.480 206 S N -1.439 114.290 115.700 0.048 0.000 2.578 206 S HA 0.739 5.209 4.470 -0.000 0.000 0.272 206 S C -1.644 172.992 174.600 0.061 0.000 1.145 206 S CA -0.895 57.342 58.200 0.062 0.000 0.835 206 S CB 1.305 64.545 63.200 0.067 0.000 1.104 206 S HN 1.068 nan 8.310 nan 0.000 0.458 207 L N 1.249 122.517 121.223 0.076 0.000 2.422 207 L HA 0.615 4.954 4.340 -0.000 0.000 0.264 207 L C -1.440 175.486 176.870 0.093 0.000 0.984 207 L CA -0.719 54.165 54.840 0.072 0.000 0.819 207 L CB 2.076 44.172 42.059 0.062 0.000 1.330 207 L HN 0.774 nan 8.230 nan 0.000 0.410 208 D N 0.984 121.431 120.400 0.079 0.000 2.198 208 D HA 0.262 4.902 4.640 -0.000 0.000 0.245 208 D C -0.497 175.813 176.300 0.017 0.000 1.079 208 D CA 0.247 54.292 54.000 0.076 0.000 0.854 208 D CB 1.791 42.651 40.800 0.101 0.000 1.148 208 D HN 0.385 nan 8.370 nan 0.000 0.456 209 S N 1.728 117.424 115.700 -0.006 0.000 2.422 209 S HA 0.420 4.890 4.470 -0.000 0.000 0.298 209 S C 0.601 174.995 174.600 -0.343 0.000 1.118 209 S CA -0.180 57.980 58.200 -0.066 0.000 1.083 209 S CB 0.309 63.602 63.200 0.155 0.000 0.971 209 S HN 0.496 nan 8.310 nan 0.000 0.478 210 S N 2.692 118.139 115.700 -0.422 0.000 2.648 210 S HA 0.227 4.697 4.470 -0.000 0.000 0.270 210 S C 0.191 174.571 174.600 -0.367 0.000 1.082 210 S CA -0.377 57.372 58.200 -0.752 0.000 1.116 210 S CB 0.052 62.470 63.200 -1.303 0.000 1.040 210 S HN 0.601 nan 8.310 nan 0.000 0.572 211 D N 2.275 122.562 120.400 -0.189 0.000 2.388 211 D HA 0.452 5.092 4.640 -0.000 0.000 0.221 211 D C 0.761 177.048 176.300 -0.021 0.000 1.133 211 D CA 0.822 54.774 54.000 -0.080 0.000 0.831 211 D CB 0.593 41.371 40.800 -0.036 0.000 0.962 211 D HN 0.697 nan 8.370 nan 0.000 0.502 212 G N 0.968 109.751 108.800 -0.028 0.000 2.885 212 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.685 212 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.685 212 G C 0.160 175.084 174.900 0.041 0.000 1.216 212 G CA -0.614 44.500 45.100 0.023 0.000 0.790 212 G HN 0.087 nan 8.290 nan 0.000 0.631 213 L N 2.428 123.687 121.223 0.059 0.000 2.017 213 L HA 0.231 4.571 4.340 -0.000 0.000 0.208 213 L C 3.018 179.868 176.870 -0.033 0.000 1.073 213 L CA 3.556 58.436 54.840 0.067 0.000 0.745 213 L CB -0.971 41.110 42.059 0.036 0.000 0.894 213 L HN 1.572 nan 8.230 nan 0.000 0.432 214 A N -0.482 122.260 122.820 -0.130 0.000 1.892 214 A HA -0.300 4.019 4.320 -0.000 0.000 0.218 214 A C 2.252 179.932 177.584 0.159 0.000 1.188 214 A CA 1.978 53.975 52.037 -0.067 0.000 0.631 214 A CB -0.914 17.937 19.000 -0.248 0.000 0.822 214 A HN 0.601 nan 8.150 nan 0.000 0.447 215 E N -0.070 120.218 120.200 0.146 0.000 2.085 215 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 215 E C 1.925 178.620 176.600 0.158 0.000 0.994 215 E CA 2.310 58.817 56.400 0.178 0.000 0.801 215 E CB -0.899 28.864 29.700 0.105 0.000 0.743 215 E HN 0.501 nan 8.360 nan 0.000 0.453 216 T N 0.998 115.607 114.554 0.092 0.000 2.788 216 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 216 T C 1.818 176.544 174.700 0.043 0.000 1.044 216 T CA 1.330 63.472 62.100 0.069 0.000 1.139 216 T CB -0.231 68.681 68.868 0.073 0.000 0.867 216 T HN 0.142 nan 8.240 nan 0.000 0.454 217 L N -1.242 119.981 121.223 0.001 0.000 2.093 217 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 217 L C 2.334 179.099 176.870 -0.175 0.000 1.085 217 L CA 1.212 55.981 54.840 -0.118 0.000 0.755 217 L CB -0.488 41.447 42.059 -0.208 0.000 0.904 217 L HN 0.340 nan 8.230 nan 0.000 0.435 218 W N 0.362 121.642 121.300 -0.033 0.000 2.467 218 W HA -0.120 4.540 4.660 -0.000 0.000 0.275 218 W C 2.705 179.215 176.519 -0.016 0.000 1.239 218 W CA 0.679 58.007 57.345 -0.029 0.000 1.266 218 W CB -0.061 29.384 29.460 -0.025 0.000 1.112 218 W HN 0.158 nan 8.180 nan 0.000 0.576 219 Q N -0.448 119.455 119.800 0.172 0.000 2.119 219 Q HA -0.193 4.146 4.340 -0.000 0.000 0.201 219 Q C 2.172 178.205 176.000 0.055 0.000 0.972 219 Q CA 1.278 57.145 55.803 0.107 0.000 0.847 219 Q CB -0.516 28.269 28.738 0.078 0.000 0.903 219 Q HN 0.219 nan 8.270 nan 0.000 0.433 220 L N 0.520 121.752 121.223 0.015 0.000 2.027 220 L HA -0.062 4.278 4.340 -0.000 0.000 0.206 220 L C 2.092 178.943 176.870 -0.032 0.000 1.074 220 L CA 2.113 56.945 54.840 -0.013 0.000 0.745 220 L CB -0.978 41.058 42.059 -0.039 0.000 0.898 220 L HN 0.101 nan 8.230 nan 0.000 0.433 221 A N -0.662 122.109 122.820 -0.082 0.000 1.883 221 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 221 A C 1.912 179.498 177.584 0.004 0.000 1.186 221 A CA 1.845 53.818 52.037 -0.107 0.000 0.624 221 A CB -0.975 17.837 19.000 -0.314 0.000 0.822 221 A HN 0.536 nan 8.150 nan 0.000 0.444 222 D N -0.055 120.390 120.400 0.076 0.000 2.389 222 D HA -0.074 4.566 4.640 -0.000 0.000 0.221 222 D C 1.417 177.750 176.300 0.055 0.000 0.974 222 D CA 0.562 54.621 54.000 0.098 0.000 0.923 222 D CB -0.278 40.596 40.800 0.123 0.000 0.892 222 D HN 0.491 nan 8.370 nan 0.000 0.518 223 L N -0.743 120.501 121.223 0.034 0.000 2.610 223 L HA 0.109 4.449 4.340 -0.000 0.000 0.232 223 L C 1.305 178.188 176.870 0.022 0.000 1.149 223 L CA 0.434 55.289 54.840 0.024 0.000 0.872 223 L CB -0.143 41.926 42.059 0.017 0.000 0.992 223 L HN 0.121 nan 8.230 nan 0.000 0.447 224 G N 0.472 109.286 108.800 0.025 0.000 2.145 224 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.176 224 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.176 224 G C -0.102 174.806 174.900 0.013 0.000 1.013 224 G CA -0.052 45.062 45.100 0.024 0.000 0.689 224 G HN 0.214 nan 8.290 nan 0.000 0.506 225 V N -2.887 117.027 119.914 0.000 0.000 3.167 225 V HA 1.052 5.172 4.120 -0.000 0.000 0.310 225 V C 0.570 176.644 176.094 -0.033 0.000 1.207 225 V CA -0.409 61.885 62.300 -0.011 0.000 1.059 225 V CB 1.656 33.469 31.823 -0.016 0.000 1.079 225 V HN 1.418 nan 8.190 nan 0.000 0.446 226 G N -0.428 108.354 108.800 -0.029 0.000 2.389 226 G HA2 0.637 4.597 3.960 -0.000 0.000 0.328 226 G HA3 0.637 4.597 3.960 -0.000 0.000 0.328 226 G C -1.254 173.609 174.900 -0.062 0.000 1.133 226 G CA -0.750 44.331 45.100 -0.032 0.000 0.891 226 G HN 1.142 nan 8.290 nan 0.000 0.485 227 V N 2.043 121.901 119.914 -0.093 0.000 2.482 227 V HA 0.388 4.507 4.120 -0.000 0.000 0.295 227 V C -0.950 175.109 176.094 -0.058 0.000 1.026 227 V CA -0.871 61.359 62.300 -0.117 0.000 0.856 227 V CB 1.635 33.323 31.823 -0.226 0.000 1.001 227 V HN 0.704 nan 8.190 nan 0.000 0.424 228 E N 3.783 123.959 120.200 -0.041 0.000 2.129 228 E HA 0.454 4.804 4.350 -0.000 0.000 0.268 228 E C -1.007 175.561 176.600 -0.053 0.000 0.900 228 E CA -0.482 55.910 56.400 -0.013 0.000 0.755 228 E CB 2.574 32.258 29.700 -0.026 0.000 1.117 228 E HN 0.385 nan 8.360 nan 0.000 0.410 229 V N 3.996 123.882 119.914 -0.047 0.000 2.350 229 V HA 0.066 4.186 4.120 -0.000 0.000 0.276 229 V C 1.488 177.552 176.094 -0.050 0.000 1.028 229 V CA -0.225 62.033 62.300 -0.070 0.000 0.860 229 V CB 1.124 32.895 31.823 -0.087 0.000 0.990 229 V HN 0.660 nan 8.190 nan 0.000 0.453 230 E N 4.360 124.522 120.200 -0.065 0.000 2.340 230 E HA 0.425 4.775 4.350 -0.000 0.000 0.194 230 E C 0.544 177.124 176.600 -0.034 0.000 0.996 230 E CA 0.651 57.016 56.400 -0.057 0.000 0.869 230 E CB 0.827 30.474 29.700 -0.088 0.000 0.835 230 E HN 0.666 nan 8.360 nan 0.000 0.493 231 A N 0.619 123.437 122.820 -0.004 0.000 2.608 231 A HA 0.650 4.970 4.320 -0.000 0.000 0.292 231 A C -1.764 175.927 177.584 0.177 0.000 1.066 231 A CA -0.813 51.277 52.037 0.088 0.000 0.676 231 A CB 1.211 20.276 19.000 0.109 0.000 1.277 231 A HN 0.136 nan 8.150 nan 0.000 0.413 232 L N 1.422 122.686 121.223 0.068 0.000 2.445 232 L HA 0.571 4.910 4.340 -0.000 0.000 0.262 232 L C -2.471 174.064 176.870 -0.559 0.000 0.974 232 L CA -1.918 52.757 54.840 -0.276 0.000 0.822 232 L CB 2.972 44.878 42.059 -0.255 0.000 1.339 232 L HN 0.579 nan 8.230 nan 0.000 0.409 233 P HA 0.203 nan 4.420 nan 0.000 0.276 233 P C -1.110 175.731 177.300 -0.765 0.000 1.243 233 P CA -0.081 62.353 63.100 -1.109 0.000 0.768 233 P CB 0.910 31.744 31.700 -1.444 0.000 0.856 234 L N 4.594 125.516 121.223 -0.501 0.000 2.433 234 L HA 0.306 4.646 4.340 -0.000 0.000 0.256 234 L C 0.006 176.774 176.870 -0.171 0.000 1.063 234 L CA -1.068 53.594 54.840 -0.297 0.000 0.922 234 L CB 0.083 42.068 42.059 -0.122 0.000 1.238 234 L HN 0.287 nan 8.230 nan 0.000 0.466 235 Y N 2.033 122.346 120.300 0.023 0.000 2.652 235 Y HA 0.025 4.575 4.550 -0.000 0.000 0.344 235 Y C -1.089 174.856 175.900 0.075 0.000 1.254 235 Y CA -1.677 56.454 58.100 0.052 0.000 1.480 235 Y CB -0.193 38.302 38.460 0.059 0.000 1.345 235 Y HN 0.335 nan 8.280 nan 0.000 0.617 236 P HA -0.212 nan 4.420 nan 0.000 0.215 236 P C 1.070 178.498 177.300 0.213 0.000 1.157 236 P CA 2.224 65.434 63.100 0.184 0.000 0.874 236 P CB 0.180 31.969 31.700 0.149 0.000 0.790 237 D N -0.864 119.684 120.400 0.248 0.000 2.144 237 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 237 D C 1.818 178.318 176.300 0.334 0.000 0.978 237 D CA 1.068 55.270 54.000 0.336 0.000 0.833 237 D CB -1.144 39.853 40.800 0.328 0.000 0.961 237 D HN 0.059 nan 8.370 nan 0.000 0.470 238 V N 1.120 121.179 119.914 0.242 0.000 2.358 238 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 238 V C 2.725 178.935 176.094 0.194 0.000 1.047 238 V CA 0.885 63.290 62.300 0.175 0.000 1.035 238 V CB -0.522 31.380 31.823 0.133 0.000 0.658 238 V HN 0.193 nan 8.190 nan 0.000 0.452 239 L N 0.082 121.405 121.223 0.167 0.000 2.017 239 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 239 L C 2.611 179.577 176.870 0.160 0.000 1.073 239 L CA 1.800 56.720 54.840 0.132 0.000 0.745 239 L CB -0.516 41.605 42.059 0.104 0.000 0.894 239 L HN 0.368 nan 8.230 nan 0.000 0.432 240 A N -0.509 122.442 122.820 0.217 0.000 1.933 240 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 240 A C 2.088 179.849 177.584 0.296 0.000 1.175 240 A CA 1.823 54.011 52.037 0.251 0.000 0.628 240 A CB -0.902 18.284 19.000 0.310 0.000 0.814 240 A HN 0.544 nan 8.150 nan 0.000 0.444 241 F N 0.705 120.750 119.950 0.158 0.000 2.128 241 F HA 0.040 4.567 4.527 -0.000 0.000 0.295 241 F C 2.504 178.287 175.800 -0.028 0.000 1.100 241 F CA 1.288 59.251 58.000 -0.062 0.000 1.260 241 F CB -0.331 38.391 39.000 -0.462 0.000 1.009 241 F HN 0.232 nan 8.300 nan 0.000 0.476 242 A N -0.223 122.687 122.820 0.151 0.000 1.930 242 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 242 A C 2.124 179.694 177.584 -0.023 0.000 1.175 242 A CA 1.650 53.729 52.037 0.069 0.000 0.627 242 A CB -1.456 17.625 19.000 0.136 0.000 0.815 242 A HN 1.081 nan 8.150 nan 0.000 0.443 243 G N -2.001 106.802 108.800 0.004 0.000 2.213 243 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.236 243 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.236 243 G C 0.368 175.278 174.900 0.016 0.000 0.991 243 G CA 0.807 45.905 45.100 -0.003 0.000 0.629 243 G HN 2.130 nan 8.290 nan 0.000 0.517 244 S N -1.730 113.987 115.700 0.029 0.000 2.615 244 S HA 0.609 5.079 4.470 -0.000 0.000 0.268 244 S C 0.305 174.926 174.600 0.035 0.000 1.146 244 S CA 0.484 58.701 58.200 0.029 0.000 0.818 244 S CB 1.453 64.665 63.200 0.020 0.000 1.111 244 S HN 0.376 nan 8.310 nan 0.000 0.465 245 E N 0.469 120.686 120.200 0.029 0.000 2.072 245 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 245 E C 2.151 178.766 176.600 0.025 0.000 0.985 245 E CA 1.612 58.026 56.400 0.024 0.000 0.801 245 E CB -0.515 29.196 29.700 0.018 0.000 0.750 245 E HN 0.817 nan 8.360 nan 0.000 0.452 246 E N 0.775 120.991 120.200 0.027 0.000 2.058 246 E HA -0.170 4.179 4.350 -0.000 0.000 0.194 246 E C 1.927 178.554 176.600 0.045 0.000 0.997 246 E CA 1.586 58.006 56.400 0.033 0.000 0.801 246 E CB -0.903 28.815 29.700 0.029 0.000 0.746 246 E HN 0.474 nan 8.360 nan 0.000 0.450 247 A N 0.701 123.548 122.820 0.045 0.000 1.930 247 A HA 0.312 4.631 4.320 -0.000 0.000 0.217 247 A C 2.820 180.449 177.584 0.074 0.000 1.175 247 A CA 2.276 54.349 52.037 0.059 0.000 0.627 247 A CB -0.637 18.393 19.000 0.049 0.000 0.815 247 A HN 0.995 nan 8.150 nan 0.000 0.443 248 A N -0.225 122.632 122.820 0.062 0.000 1.902 248 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 248 A C 2.169 179.770 177.584 0.028 0.000 1.181 248 A CA 1.435 53.505 52.037 0.056 0.000 0.623 248 A CB -0.599 18.424 19.000 0.039 0.000 0.818 248 A HN 0.464 nan 8.150 nan 0.000 0.443 249 L N -0.720 120.514 121.223 0.018 0.000 2.012 249 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 249 L C 3.226 180.116 176.870 0.033 0.000 1.073 249 L CA 1.869 56.708 54.840 -0.001 0.000 0.748 249 L CB -0.768 41.296 42.059 0.008 0.000 0.891 249 L HN 0.633 nan 8.230 nan 0.000 0.431 250 E N 0.359 120.621 120.200 0.103 0.000 2.118 250 E HA -0.213 4.136 4.350 -0.000 0.000 0.195 250 E C 1.992 178.701 176.600 0.181 0.000 0.992 250 E CA 1.610 58.138 56.400 0.214 0.000 0.804 250 E CB -0.860 28.948 29.700 0.180 0.000 0.741 250 E HN 0.551 nan 8.360 nan 0.000 0.458 251 L N -0.102 121.186 121.223 0.110 0.000 2.156 251 L HA -0.084 4.255 4.340 -0.000 0.000 0.208 251 L C 2.712 179.614 176.870 0.055 0.000 1.095 251 L CA 0.817 55.711 54.840 0.089 0.000 0.770 251 L CB -0.138 41.967 42.059 0.076 0.000 0.914 251 L HN 0.263 nan 8.230 nan 0.000 0.439 252 V N -0.073 119.851 119.914 0.018 0.000 2.407 252 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 252 V C 2.248 178.314 176.094 -0.047 0.000 1.041 252 V CA 1.374 63.673 62.300 -0.001 0.000 1.040 252 V CB -0.129 31.644 31.823 -0.083 0.000 0.671 252 V HN 0.322 nan 8.190 nan 0.000 0.455 253 L N -1.570 119.555 121.223 -0.164 0.000 2.162 253 L HA -0.007 4.333 4.340 -0.000 0.000 0.205 253 L C 0.895 177.420 176.870 -0.575 0.000 1.086 253 L CA 1.202 55.775 54.840 -0.445 0.000 0.778 253 L CB -0.056 41.577 42.059 -0.710 0.000 0.928 253 L HN 0.366 nan 8.230 nan 0.000 0.446 254 Y N -1.050 119.272 120.300 0.037 0.000 2.516 254 Y HA 0.371 4.921 4.550 -0.000 0.000 0.341 254 Y C 1.091 177.006 175.900 0.024 0.000 0.912 254 Y CA -0.421 57.696 58.100 0.028 0.000 1.167 254 Y CB 0.182 38.652 38.460 0.017 0.000 1.195 254 Y HN -0.113 nan 8.280 nan 0.000 0.610 255 G N -0.187 108.677 108.800 0.107 0.000 2.765 255 G HA2 0.474 4.433 3.960 -0.000 0.000 0.218 255 G HA3 0.474 4.433 3.960 -0.000 0.000 0.218 255 G C 0.631 175.553 174.900 0.037 0.000 1.271 255 G CA 0.369 45.512 45.100 0.072 0.000 0.865 255 G HN 0.736 nan 8.290 nan 0.000 0.604 256 G N -1.128 107.670 108.800 -0.003 0.000 2.612 256 G HA2 0.254 4.214 3.960 -0.000 0.000 0.686 256 G HA3 0.254 4.214 3.960 -0.000 0.000 0.686 256 G C 0.119 174.956 174.900 -0.105 0.000 1.274 256 G CA 0.238 45.302 45.100 -0.060 0.000 0.849 256 G HN 1.023 nan 8.290 nan 0.000 0.595 257 E N -1.407 118.681 120.200 -0.186 0.000 3.170 257 E HA -0.208 4.142 4.350 -0.000 0.000 0.284 257 E C 1.218 177.759 176.600 -0.098 0.000 0.967 257 E CA 1.970 58.292 56.400 -0.131 0.000 0.919 257 E CB -1.510 28.172 29.700 -0.029 0.000 1.469 257 E HN 0.814 nan 8.360 nan 0.000 0.444 258 E N -0.670 119.377 120.200 -0.255 0.000 2.046 258 E HA 0.056 4.406 4.350 -0.000 0.000 0.190 258 E C 0.562 177.048 176.600 -0.190 0.000 0.982 258 E CA 0.762 56.985 56.400 -0.296 0.000 0.800 258 E CB -0.141 29.227 29.700 -0.552 0.000 0.756 258 E HN 0.316 nan 8.360 nan 0.000 0.449 259 F N 0.662 120.473 119.950 -0.232 0.000 3.039 259 F HA -0.230 4.297 4.527 -0.000 0.000 0.287 259 F C -0.245 175.430 175.800 -0.208 0.000 0.956 259 F CA 0.595 58.495 58.000 -0.166 0.000 0.971 259 F CB -1.200 37.726 39.000 -0.122 0.000 0.943 259 F HN -0.032 nan 8.300 nan 0.000 0.766 260 E N 0.148 120.187 120.200 -0.269 0.000 2.227 260 E HA 0.783 5.133 4.350 -0.000 0.000 0.268 260 E C -0.009 176.598 176.600 0.012 0.000 0.907 260 E CA -0.494 55.738 56.400 -0.279 0.000 0.786 260 E CB 1.993 31.133 29.700 -0.933 0.000 1.191 260 E HN 0.172 nan 8.360 nan 0.000 0.411 261 A N 1.906 124.834 122.820 0.180 0.000 2.327 261 A HA 0.420 4.740 4.320 -0.000 0.000 0.283 261 A C -0.156 177.642 177.584 0.357 0.000 1.127 261 A CA -0.522 51.658 52.037 0.239 0.000 0.810 261 A CB 0.589 19.687 19.000 0.164 0.000 1.066 261 A HN 0.313 nan 8.150 nan 0.000 0.492 262 V N 4.033 124.105 119.914 0.264 0.000 2.370 262 V HA 0.296 4.416 4.120 -0.000 0.000 0.279 262 V C -0.102 176.079 176.094 0.145 0.000 1.029 262 V CA -0.088 62.327 62.300 0.192 0.000 0.870 262 V CB 0.795 32.690 31.823 0.121 0.000 0.984 262 V HN 0.704 nan 8.190 nan 0.000 0.451 263 L N 5.517 126.833 121.223 0.156 0.000 2.317 263 L HA 0.586 4.926 4.340 -0.000 0.000 0.281 263 L C -0.440 176.511 176.870 0.134 0.000 1.024 263 L CA -0.830 54.090 54.840 0.134 0.000 0.810 263 L CB 1.956 44.094 42.059 0.132 0.000 1.240 263 L HN 0.305 nan 8.230 nan 0.000 0.427 264 V N 4.391 124.361 119.914 0.093 0.000 2.318 264 V HA 0.271 4.391 4.120 -0.000 0.000 0.271 264 V C 0.114 176.257 176.094 0.081 0.000 1.030 264 V CA -0.471 61.879 62.300 0.084 0.000 0.844 264 V CB 1.530 33.383 31.823 0.051 0.000 1.015 264 V HN 0.432 nan 8.190 nan 0.000 0.460 265 V N 8.119 128.106 119.914 0.123 0.000 2.483 265 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 265 V C -2.095 174.044 176.094 0.075 0.000 1.035 265 V CA -2.009 60.338 62.300 0.078 0.000 0.896 265 V CB 2.127 33.977 31.823 0.045 0.000 0.986 265 V HN 0.658 nan 8.190 nan 0.000 0.447 266 P HA 0.254 nan 4.420 nan 0.000 0.279 266 P C 0.457 177.779 177.300 0.036 0.000 1.239 266 P CA -0.011 63.108 63.100 0.032 0.000 0.789 266 P CB 1.265 32.975 31.700 0.018 0.000 0.933 267 Q N 2.856 122.678 119.800 0.036 0.000 2.077 267 Q HA -0.249 4.091 4.340 -0.000 0.000 0.206 267 Q C 2.329 178.342 176.000 0.022 0.000 0.989 267 Q CA 3.093 58.917 55.803 0.036 0.000 0.853 267 Q CB -2.153 26.599 28.738 0.023 0.000 0.907 267 Q HN 0.676 nan 8.270 nan 0.000 0.418 268 E N -0.039 120.169 120.200 0.013 0.000 2.160 268 E HA 0.058 4.408 4.350 -0.000 0.000 0.195 268 E C 2.149 178.749 176.600 0.001 0.000 0.991 268 E CA 1.550 57.954 56.400 0.006 0.000 0.810 268 E CB -0.848 28.855 29.700 0.005 0.000 0.742 268 E HN 0.883 nan 8.360 nan 0.000 0.466 269 G N -1.317 107.482 108.800 -0.003 0.000 3.126 269 G HA2 0.393 4.353 3.960 -0.000 0.000 0.224 269 G HA3 0.393 4.353 3.960 -0.000 0.000 0.224 269 G C 1.623 176.502 174.900 -0.035 0.000 1.142 269 G CA 0.994 46.084 45.100 -0.017 0.000 0.759 269 G HN 0.725 nan 8.290 nan 0.000 0.550 270 A N 1.530 124.337 122.820 -0.021 0.000 1.883 270 A HA 0.144 4.464 4.320 -0.000 0.000 0.217 270 A C 2.791 180.339 177.584 -0.060 0.000 1.186 270 A CA 2.355 54.365 52.037 -0.045 0.000 0.624 270 A CB -0.830 18.207 19.000 0.062 0.000 0.822 270 A HN 0.755 nan 8.150 nan 0.000 0.444 271 A N -0.168 122.641 122.820 -0.019 0.000 1.873 271 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 271 A C 2.561 180.125 177.584 -0.033 0.000 1.193 271 A CA 2.638 54.665 52.037 -0.016 0.000 0.629 271 A CB -1.224 17.773 19.000 -0.004 0.000 0.826 271 A HN 1.223 nan 8.150 nan 0.000 0.447 272 A N -0.845 121.954 122.820 -0.034 0.000 1.933 272 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 272 A C 2.251 179.803 177.584 -0.054 0.000 1.175 272 A CA 1.809 53.826 52.037 -0.035 0.000 0.628 272 A CB -0.935 18.049 19.000 -0.028 0.000 0.814 272 A HN 0.409 nan 8.150 nan 0.000 0.444 273 V N 0.297 120.159 119.914 -0.086 0.000 2.295 273 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 273 V C 2.385 178.398 176.094 -0.135 0.000 1.049 273 V CA 2.348 64.570 62.300 -0.128 0.000 1.024 273 V CB -0.831 30.865 31.823 -0.213 0.000 0.648 273 V HN 0.673 nan 8.190 nan 0.000 0.447 274 E N 0.134 120.249 120.200 -0.142 0.000 2.204 274 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 274 E C 2.245 178.822 176.600 -0.039 0.000 0.989 274 E CA 1.103 57.449 56.400 -0.089 0.000 0.824 274 E CB -0.273 29.402 29.700 -0.042 0.000 0.756 274 E HN 0.629 nan 8.360 nan 0.000 0.477 275 A N 1.748 124.546 122.820 -0.036 0.000 1.855 275 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 275 A C 2.148 179.722 177.584 -0.016 0.000 1.191 275 A CA 1.494 53.520 52.037 -0.019 0.000 0.613 275 A CB -0.412 18.577 19.000 -0.018 0.000 0.829 275 A HN 0.067 nan 8.150 nan 0.000 0.442 276 R N -0.520 119.966 120.500 -0.024 0.000 2.092 276 R HA -0.036 4.303 4.340 -0.000 0.000 0.231 276 R C 2.265 178.558 176.300 -0.012 0.000 1.119 276 R CA 1.303 57.392 56.100 -0.017 0.000 0.970 276 R CB -0.373 29.914 30.300 -0.022 0.000 0.864 276 R HN 0.455 nan 8.270 nan 0.000 0.440 277 A N 0.962 123.771 122.820 -0.019 0.000 1.877 277 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 277 A C 2.413 180.005 177.584 0.014 0.000 1.186 277 A CA 2.384 54.419 52.037 -0.003 0.000 0.620 277 A CB -0.973 18.020 19.000 -0.011 0.000 0.822 277 A HN 0.484 nan 8.150 nan 0.000 0.443 278 K N -0.557 119.850 120.400 0.012 0.000 2.057 278 K HA 0.141 4.461 4.320 -0.000 0.000 0.207 278 K C 2.336 178.946 176.600 0.017 0.000 1.049 278 K CA 2.045 58.344 56.287 0.021 0.000 0.931 278 K CB -1.376 31.135 32.500 0.019 0.000 0.714 278 K HN 0.961 nan 8.250 nan 0.000 0.440 279 A N 0.851 123.677 122.820 0.009 0.000 1.968 279 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 279 A C 1.886 179.475 177.584 0.009 0.000 1.169 279 A CA 1.297 53.338 52.037 0.008 0.000 0.638 279 A CB 0.087 19.088 19.000 0.003 0.000 0.812 279 A HN 0.346 nan 8.150 nan 0.000 0.446 280 K N -0.714 119.692 120.400 0.009 0.000 2.410 280 K HA 0.203 4.523 4.320 -0.000 0.000 0.200 280 K C 0.824 177.434 176.600 0.017 0.000 1.023 280 K CA 0.515 56.808 56.287 0.011 0.000 1.149 280 K CB -0.293 32.211 32.500 0.007 0.000 0.859 280 K HN 0.666 nan 8.250 nan 0.000 0.514 281 G N 2.100 110.913 108.800 0.021 0.000 2.295 281 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.287 281 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.287 281 G C -0.402 174.520 174.900 0.036 0.000 1.055 281 G CA 0.151 45.267 45.100 0.027 0.000 0.922 281 G HN 0.290 nan 8.290 nan 0.000 0.503 282 L N 0.872 122.120 121.223 0.042 0.000 2.294 282 L HA 0.690 5.030 4.340 -0.000 0.000 0.283 282 L C -1.973 174.948 176.870 0.085 0.000 1.015 282 L CA -2.427 52.448 54.840 0.058 0.000 0.831 282 L CB 1.217 43.306 42.059 0.049 0.000 1.217 282 L HN -0.078 nan 8.230 nan 0.000 0.420 283 P HA 0.225 nan 4.420 nan 0.000 0.266 283 P C -1.391 176.031 177.300 0.202 0.000 1.195 283 P CA -0.035 63.158 63.100 0.156 0.000 0.768 283 P CB 0.688 32.488 31.700 0.167 0.000 0.838 284 L N 4.322 125.683 121.223 0.230 0.000 2.464 284 L HA 0.606 4.946 4.340 -0.000 0.000 0.266 284 L C -1.562 175.527 176.870 0.366 0.000 0.965 284 L CA -0.493 54.512 54.840 0.274 0.000 0.833 284 L CB 1.497 43.654 42.059 0.163 0.000 1.296 284 L HN 0.219 nan 8.230 nan 0.000 0.405 285 F N 3.900 123.987 119.950 0.228 0.000 2.536 285 F HA 0.553 5.080 4.527 -0.000 0.000 0.322 285 F C -0.134 175.661 175.800 -0.007 0.000 1.144 285 F CA -0.669 57.396 58.000 0.108 0.000 0.924 285 F CB 1.252 40.262 39.000 0.016 0.000 1.181 285 F HN 0.481 nan 8.300 nan 0.000 0.438 286 R N 4.690 124.824 120.500 -0.610 0.000 2.248 286 R HA 0.516 4.856 4.340 -0.000 0.000 0.337 286 R C 0.101 175.998 176.300 -0.672 0.000 1.085 286 R CA 0.551 56.114 56.100 -0.894 0.000 0.934 286 R CB 0.795 30.602 30.300 -0.822 0.000 1.034 286 R HN 0.867 nan 8.270 nan 0.000 0.465 287 A N 3.249 125.866 122.820 -0.338 0.000 2.140 287 A HA 0.368 4.687 4.320 -0.000 0.000 0.209 287 A C 0.751 178.240 177.584 -0.158 0.000 1.181 287 A CA 0.788 52.769 52.037 -0.093 0.000 0.824 287 A CB 0.545 19.545 19.000 -0.001 0.000 0.879 287 A HN 0.825 nan 8.150 nan 0.000 0.480 288 G N -1.029 107.636 108.800 -0.226 0.000 2.364 288 G HA2 0.499 4.459 3.960 -0.000 0.000 0.286 288 G HA3 0.499 4.459 3.960 -0.000 0.000 0.286 288 G C -1.497 173.313 174.900 -0.151 0.000 1.241 288 G CA -0.901 44.099 45.100 -0.165 0.000 0.887 288 G HN 0.261 nan 8.290 nan 0.000 0.484 289 R N -1.198 119.241 120.500 -0.102 0.000 2.795 289 R HA 0.661 5.001 4.340 -0.000 0.000 0.275 289 R C -1.247 175.019 176.300 -0.057 0.000 0.981 289 R CA -0.776 55.280 56.100 -0.073 0.000 0.917 289 R CB 2.767 33.029 30.300 -0.063 0.000 1.202 289 R HN 0.344 nan 8.270 nan 0.000 0.469 290 V N 3.212 123.103 119.914 -0.039 0.000 2.407 290 V HA 0.431 4.551 4.120 -0.000 0.000 0.278 290 V C 0.100 176.178 176.094 -0.027 0.000 1.037 290 V CA -0.459 61.821 62.300 -0.034 0.000 0.900 290 V CB 1.315 33.127 31.823 -0.019 0.000 0.983 290 V HN 0.612 nan 8.190 nan 0.000 0.459 291 V N 2.346 122.243 119.914 -0.027 0.000 3.141 291 V HA 1.016 5.135 4.120 -0.000 0.000 0.312 291 V C 0.180 176.266 176.094 -0.014 0.000 1.157 291 V CA -0.934 61.353 62.300 -0.022 0.000 1.041 291 V CB 1.727 33.533 31.823 -0.029 0.000 1.071 291 V HN 0.990 nan 8.190 nan 0.000 0.441 292 A N 0.385 123.198 122.820 -0.012 0.000 2.406 292 A HA 0.825 5.145 4.320 -0.000 0.000 0.243 292 A C 1.045 178.629 177.584 0.000 0.000 1.082 292 A CA 0.751 52.785 52.037 -0.005 0.000 0.786 292 A CB -0.319 18.678 19.000 -0.006 0.000 1.029 292 A HN 3.012 nan 8.150 nan 0.000 0.495 293 G N -1.197 107.609 108.800 0.010 0.000 2.445 293 G HA2 0.577 4.537 3.960 -0.000 0.000 0.212 293 G HA3 0.577 4.537 3.960 -0.000 0.000 0.212 293 G C -0.294 174.628 174.900 0.037 0.000 1.217 293 G CA 0.394 45.508 45.100 0.024 0.000 1.002 293 G HN 2.307 nan 8.290 nan 0.000 0.574 294 E N -1.545 118.694 120.200 0.066 0.000 2.449 294 E HA 0.994 5.343 4.350 -0.000 0.000 0.278 294 E C 1.093 177.747 176.600 0.090 0.000 0.992 294 E CA 0.808 57.247 56.400 0.066 0.000 0.807 294 E CB 0.978 30.731 29.700 0.088 0.000 1.350 294 E HN 2.894 nan 8.360 nan 0.000 0.462 295 G N -1.515 107.266 108.800 -0.033 0.000 2.746 295 G HA2 0.304 4.264 3.960 -0.000 0.000 0.685 295 G HA3 0.304 4.264 3.960 -0.000 0.000 0.685 295 G C -0.405 174.150 174.900 -0.575 0.000 1.350 295 G CA -0.323 44.614 45.100 -0.271 0.000 0.837 295 G HN 1.499 nan 8.290 nan 0.000 0.564 296 V N 1.064 120.339 119.914 -1.065 0.000 2.495 296 V HA 0.753 4.873 4.120 -0.000 0.000 0.298 296 V C -0.641 175.004 176.094 -0.749 0.000 1.031 296 V CA -0.644 61.140 62.300 -0.859 0.000 0.871 296 V CB 1.597 32.675 31.823 -1.242 0.000 0.988 296 V HN 0.748 nan 8.190 nan 0.000 0.432 297 Y N 3.834 124.025 120.300 -0.182 0.000 2.477 297 Y HA 0.658 5.208 4.550 -0.000 0.000 0.347 297 Y C -0.455 175.398 175.900 -0.079 0.000 0.981 297 Y CA -0.893 57.156 58.100 -0.085 0.000 1.033 297 Y CB 2.125 40.545 38.460 -0.066 0.000 1.245 297 Y HN 0.522 nan 8.280 nan 0.000 0.455 298 L N 4.348 125.631 121.223 0.100 0.000 2.276 298 L HA 0.547 4.887 4.340 -0.000 0.000 0.286 298 L C 0.140 177.045 176.870 0.057 0.000 1.024 298 L CA -0.727 54.137 54.840 0.040 0.000 0.826 298 L CB 0.488 42.558 42.059 0.018 0.000 1.211 298 L HN 0.694 nan 8.230 nan 0.000 0.422 299 R N 4.650 125.168 120.500 0.029 0.000 3.109 299 R HA -0.219 4.121 4.340 -0.000 0.000 0.241 299 R C 1.151 177.466 176.300 0.025 0.000 0.882 299 R CA 0.951 57.059 56.100 0.014 0.000 0.604 299 R CB -1.468 28.835 30.300 0.004 0.000 1.040 299 R HN 1.247 nan 8.270 nan 0.000 0.480 300 G N -2.192 106.629 108.800 0.035 0.000 2.358 300 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.224 300 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.224 300 G C 0.205 175.172 174.900 0.112 0.000 1.073 300 G CA -0.037 45.070 45.100 0.011 0.000 0.635 300 G HN 0.921 nan 8.290 nan 0.000 0.509 301 A N 1.500 124.426 122.820 0.178 0.000 2.306 301 A HA 0.772 5.092 4.320 -0.000 0.000 0.314 301 A C -2.249 175.524 177.584 0.315 0.000 1.164 301 A CA -1.189 50.988 52.037 0.234 0.000 0.822 301 A CB 0.723 19.798 19.000 0.126 0.000 1.130 301 A HN 0.162 nan 8.150 nan 0.000 0.496 302 P HA 0.048 nan 4.420 nan 0.000 0.262 302 P C -0.597 176.706 177.300 0.004 0.000 1.182 302 P CA 0.241 63.296 63.100 -0.074 0.000 0.761 302 P CB 0.352 32.076 31.700 0.040 0.000 0.795 303 L N 6.528 127.734 121.223 -0.029 0.000 2.257 303 L HA 0.374 4.714 4.340 -0.000 0.000 0.290 303 L C -2.248 174.827 176.870 0.341 0.000 1.044 303 L CA -2.323 52.597 54.840 0.133 0.000 0.810 303 L CB 1.329 43.419 42.059 0.051 0.000 1.193 303 L HN 0.213 nan 8.230 nan 0.000 0.425 304 P HA 0.094 nan 4.420 nan 0.000 0.268 304 P C -0.640 176.811 177.300 0.253 0.000 1.204 304 P CA -0.025 63.184 63.100 0.182 0.000 0.768 304 P CB 0.568 32.334 31.700 0.109 0.000 0.842 305 R N 0.000 120.442 120.500 -0.096 0.000 2.786 305 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 305 R CA 0.000 55.981 56.100 -0.198 0.000 0.921 305 R CB 0.000 29.806 30.300 -0.823 0.000 0.687 305 R HN 0.000 nan 8.270 nan 0.000 0.535