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 2pqb_1_A DATA FIRST_RESID 6 DATA SEQUENCE SSRPATARKS SGLSGTVRIP GDKSISHRSF MFGGLASGET RITGLLEGED DATA SEQUENCE VINTGKAMQA MGARIRKEGD TWIIDGVGNG GLLAPEAPLD FGNAATGCRL DATA SEQUENCE TMGLVGVYDF DSTFIGDASL TKRPMGRVLN PLREMGVQVK SEDGDRLPVT DATA SEQUENCE LRGPKTPTPI TYRVPMASAQ VKSAVLLAGL NTPGITTVIE PIMTRDHTEK DATA SEQUENCE MLQGFGANLT VETDADGVRT IRLEGRGKLT GQVIDVPGDP SSTAFPLVAA DATA SEQUENCE LLVPGSDVTI LNVLMNPTRT GLILTLQEMG ADIEVINPRL AGGEDVADLR DATA SEQUENCE VRSSTLKGVT VPEDRAPSMI DEYPILAVAA AFAEGATVMN GLEELRVKES DATA SEQUENCE DRLSAVANGL KLNGVDCDEG ETSLVVRGRP DGKGLGNASG AAVATHLDHR DATA SEQUENCE IAMSFLVMGL VSENPVTVDD ATMIATSFPE FMDLMAGLGA KIELS 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.597 174.600 -0.006 0.000 1.055 6 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 6 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 7 S N 0.929 116.623 115.700 -0.010 0.000 2.593 7 S HA 0.784 5.254 4.470 -0.000 0.000 0.297 7 S C -0.951 173.642 174.600 -0.011 0.000 1.112 7 S CA -0.822 57.370 58.200 -0.013 0.000 1.043 7 S CB 0.815 64.001 63.200 -0.022 0.000 1.054 7 S HN 0.503 nan 8.310 nan 0.000 0.516 8 R N 2.605 123.099 120.500 -0.011 0.000 2.467 8 R HA 0.356 4.696 4.340 -0.000 0.000 0.299 8 R C -2.952 173.343 176.300 -0.008 0.000 1.120 8 R CA -2.120 53.975 56.100 -0.007 0.000 0.940 8 R CB 1.269 31.567 30.300 -0.003 0.000 1.161 8 R HN 0.444 nan 8.270 nan 0.000 0.506 9 P HA 0.222 nan 4.420 nan 0.000 0.272 9 P C -0.831 176.470 177.300 0.002 0.000 1.230 9 P CA -0.254 62.841 63.100 -0.008 0.000 0.788 9 P CB 1.117 32.810 31.700 -0.011 0.000 0.949 10 A N 1.295 124.120 122.820 0.009 0.000 2.515 10 A HA 0.704 5.024 4.320 -0.000 0.000 0.298 10 A C -0.794 176.808 177.584 0.030 0.000 1.059 10 A CA -0.432 51.618 52.037 0.021 0.000 0.698 10 A CB 1.299 20.318 19.000 0.032 0.000 1.289 10 A HN 0.416 nan 8.150 nan 0.000 0.404 11 T N 1.293 115.867 114.554 0.033 0.000 2.848 11 T HA 0.673 5.023 4.350 -0.000 0.000 0.285 11 T C -0.187 174.540 174.700 0.046 0.000 0.995 11 T CA 0.097 62.221 62.100 0.039 0.000 0.970 11 T CB 1.521 70.406 68.868 0.028 0.000 0.976 11 T HN 1.313 nan 8.240 nan 0.000 0.441 12 A N 3.821 126.678 122.820 0.061 0.000 2.305 12 A HA 0.829 5.149 4.320 -0.000 0.000 0.322 12 A C -0.057 177.557 177.584 0.049 0.000 1.187 12 A CA -0.774 51.297 52.037 0.057 0.000 0.825 12 A CB 0.704 19.752 19.000 0.081 0.000 1.164 12 A HN 0.824 nan 8.150 nan 0.000 0.498 13 R N 0.932 121.450 120.500 0.031 0.000 2.778 13 R HA 0.436 4.776 4.340 -0.000 0.000 0.277 13 R C -0.443 175.867 176.300 0.016 0.000 0.977 13 R CA -0.955 55.161 56.100 0.026 0.000 0.950 13 R CB 1.717 32.027 30.300 0.017 0.000 1.165 13 R HN 0.772 nan 8.270 nan 0.000 0.474 14 K N 1.329 121.740 120.400 0.018 0.000 2.511 14 K HA -0.013 4.307 4.320 -0.000 0.000 0.280 14 K C -0.289 176.306 176.600 -0.008 0.000 1.008 14 K CA 0.337 56.627 56.287 0.005 0.000 1.050 14 K CB 0.468 32.975 32.500 0.012 0.000 0.889 14 K HN 0.615 nan 8.250 nan 0.000 0.484 15 S N 2.510 118.197 115.700 -0.022 0.000 2.621 15 S HA 0.440 4.910 4.470 -0.000 0.000 0.302 15 S C -0.404 174.179 174.600 -0.028 0.000 1.093 15 S CA -0.881 57.304 58.200 -0.026 0.000 1.017 15 S CB 1.765 64.945 63.200 -0.034 0.000 1.077 15 S HN 0.537 nan 8.310 nan 0.000 0.517 16 S N 1.103 116.788 115.700 -0.024 0.000 2.655 16 S HA 0.597 5.067 4.470 -0.000 0.000 0.265 16 S C 0.969 175.552 174.600 -0.029 0.000 1.240 16 S CA -0.215 57.971 58.200 -0.023 0.000 0.986 16 S CB 0.188 63.377 63.200 -0.018 0.000 0.985 16 S HN 1.144 nan 8.310 nan 0.000 0.562 17 G N 0.215 108.999 108.800 -0.027 0.000 2.583 17 G HA2 0.178 4.138 3.960 -0.000 0.000 0.230 17 G HA3 0.178 4.138 3.960 -0.000 0.000 0.230 17 G C -0.617 174.265 174.900 -0.030 0.000 1.249 17 G CA -0.167 44.915 45.100 -0.030 0.000 0.857 17 G HN 0.523 nan 8.290 nan 0.000 0.569 18 L N 0.722 121.926 121.223 -0.032 0.000 2.309 18 L HA 0.612 4.952 4.340 -0.000 0.000 0.282 18 L C 0.434 177.289 176.870 -0.025 0.000 1.036 18 L CA -0.473 54.348 54.840 -0.032 0.000 0.806 18 L CB 1.913 43.951 42.059 -0.035 0.000 1.220 18 L HN 0.562 nan 8.230 nan 0.000 0.429 19 S N 1.329 117.016 115.700 -0.022 0.000 2.566 19 S HA 0.894 5.364 4.470 -0.000 0.000 0.273 19 S C -0.614 173.978 174.600 -0.014 0.000 1.157 19 S CA 0.147 58.337 58.200 -0.017 0.000 0.938 19 S CB 1.721 64.912 63.200 -0.016 0.000 1.087 19 S HN 1.039 nan 8.310 nan 0.000 0.474 20 G N 1.872 110.666 108.800 -0.010 0.000 2.359 20 G HA2 0.374 4.334 3.960 -0.000 0.000 0.293 20 G HA3 0.374 4.334 3.960 -0.000 0.000 0.293 20 G C -1.441 173.458 174.900 -0.002 0.000 1.300 20 G CA -0.370 44.726 45.100 -0.006 0.000 0.888 20 G HN 0.835 nan 8.290 nan 0.000 0.541 21 T N 0.227 114.782 114.554 0.001 0.000 2.879 21 T HA 0.723 5.073 4.350 -0.000 0.000 0.290 21 T C -0.306 174.400 174.700 0.010 0.000 0.993 21 T CA 0.055 62.158 62.100 0.005 0.000 0.975 21 T CB 1.341 70.211 68.868 0.003 0.000 0.981 21 T HN 1.828 nan 8.240 nan 0.000 0.439 22 V N 1.272 121.196 119.914 0.016 0.000 2.971 22 V HA 0.710 4.830 4.120 -0.000 0.000 0.309 22 V C -0.876 175.234 176.094 0.026 0.000 1.130 22 V CA -1.437 60.879 62.300 0.025 0.000 0.964 22 V CB 2.094 33.940 31.823 0.039 0.000 1.029 22 V HN 0.761 nan 8.190 nan 0.000 0.427 23 R N 2.230 122.746 120.500 0.027 0.000 2.254 23 R HA 0.601 4.941 4.340 -0.000 0.000 0.318 23 R C -0.593 175.720 176.300 0.022 0.000 1.031 23 R CA -0.644 55.467 56.100 0.017 0.000 0.905 23 R CB 1.770 32.078 30.300 0.014 0.000 1.050 23 R HN 0.795 nan 8.270 nan 0.000 0.456 24 I N 4.699 125.268 120.570 -0.003 0.000 2.638 24 I HA 0.176 4.346 4.170 -0.000 0.000 0.286 24 I C -2.054 174.015 176.117 -0.079 0.000 1.088 24 I CA -2.226 59.048 61.300 -0.042 0.000 1.397 24 I CB 0.799 38.752 38.000 -0.077 0.000 1.414 24 I HN 0.472 nan 8.210 nan 0.000 0.566 25 P HA 0.192 nan 4.420 nan 0.000 0.271 25 P C -0.541 176.674 177.300 -0.141 0.000 1.244 25 P CA -0.290 62.739 63.100 -0.119 0.000 0.793 25 P CB 0.282 31.899 31.700 -0.138 0.000 0.984 26 G N 0.038 108.772 108.800 -0.111 0.000 2.614 26 G HA2 0.079 4.039 3.960 -0.000 0.000 0.239 26 G HA3 0.079 4.039 3.960 -0.000 0.000 0.239 26 G C -0.455 174.352 174.900 -0.155 0.000 1.240 26 G CA -0.143 44.882 45.100 -0.124 0.000 0.842 26 G HN 0.481 nan 8.290 nan 0.000 0.584 27 D N -0.531 119.776 120.400 -0.154 0.000 2.383 27 D HA 0.073 4.713 4.640 -0.000 0.000 0.252 27 D C 1.407 177.590 176.300 -0.194 0.000 1.166 27 D CA -0.085 53.816 54.000 -0.165 0.000 0.879 27 D CB 1.026 41.715 40.800 -0.186 0.000 1.164 27 D HN 0.389 nan 8.370 nan 0.000 0.462 28 K N 1.777 122.082 120.400 -0.158 0.000 2.001 28 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 28 K C 1.806 178.326 176.600 -0.133 0.000 1.048 28 K CA 1.132 57.311 56.287 -0.181 0.000 0.932 28 K CB 0.020 32.471 32.500 -0.080 0.000 0.715 28 K HN 0.377 nan 8.250 nan 0.000 0.437 29 S N 1.007 116.674 115.700 -0.056 0.000 2.365 29 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 29 S C 1.889 176.413 174.600 -0.127 0.000 1.039 29 S CA 1.673 59.867 58.200 -0.010 0.000 1.033 29 S CB -0.290 62.921 63.200 0.018 0.000 0.887 29 S HN 0.291 nan 8.310 nan 0.000 0.447 30 I N 0.989 121.384 120.570 -0.292 0.000 2.439 30 I HA -0.120 4.050 4.170 -0.000 0.000 0.251 30 I C 2.354 178.337 176.117 -0.224 0.000 1.139 30 I CA 0.691 61.834 61.300 -0.262 0.000 1.438 30 I CB -0.293 37.536 38.000 -0.286 0.000 1.085 30 I HN 0.205 nan 8.210 nan 0.000 0.427 31 S N -0.412 115.123 115.700 -0.275 0.000 2.356 31 S HA -0.192 4.278 4.470 -0.000 0.000 0.223 31 S C 1.990 176.347 174.600 -0.405 0.000 1.032 31 S CA 1.037 58.999 58.200 -0.397 0.000 1.005 31 S CB -0.415 62.502 63.200 -0.472 0.000 0.867 31 S HN 0.442 nan 8.310 nan 0.000 0.449 32 H N 1.428 120.338 119.070 -0.265 0.000 2.319 32 H HA 0.016 4.572 4.556 -0.000 0.000 0.299 32 H C 2.345 177.532 175.328 -0.235 0.000 1.092 32 H CA 1.478 57.418 56.048 -0.180 0.000 1.302 32 H CB -0.178 29.517 29.762 -0.111 0.000 1.373 32 H HN 0.316 nan 8.280 nan 0.000 0.497 33 R N 0.095 120.470 120.500 -0.208 0.000 2.148 33 R HA -0.034 4.306 4.340 -0.000 0.000 0.227 33 R C 2.597 178.518 176.300 -0.631 0.000 1.103 33 R CA 0.977 56.690 56.100 -0.645 0.000 0.983 33 R CB 0.069 29.969 30.300 -0.667 0.000 0.874 33 R HN 0.115 nan 8.270 nan 0.000 0.451 34 S N 0.364 115.907 115.700 -0.262 0.000 2.368 34 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 34 S C 1.417 176.076 174.600 0.098 0.000 1.029 34 S CA 0.937 59.109 58.200 -0.047 0.000 0.988 34 S CB -0.175 62.979 63.200 -0.076 0.000 0.838 34 S HN 0.163 nan 8.310 nan 0.000 0.462 35 F N 1.842 121.718 119.950 -0.123 0.000 2.146 35 F HA 0.079 4.606 4.527 -0.000 0.000 0.298 35 F C 2.262 178.027 175.800 -0.057 0.000 1.096 35 F CA 0.469 58.421 58.000 -0.081 0.000 1.275 35 F CB -1.033 37.902 39.000 -0.109 0.000 1.008 35 F HN 0.185 nan 8.300 nan 0.000 0.480 36 M N -1.456 118.180 119.600 0.061 0.000 2.099 36 M HA -0.219 4.261 4.480 -0.000 0.000 0.262 36 M C 2.148 178.517 176.300 0.116 0.000 1.067 36 M CA 1.610 56.921 55.300 0.020 0.000 1.124 36 M CB -0.660 31.877 32.600 -0.106 0.000 1.353 36 M HN -0.051 nan 8.290 nan 0.000 0.410 37 F N 0.110 119.981 119.950 -0.132 0.000 2.259 37 F HA 0.095 4.622 4.527 -0.000 0.000 0.298 37 F C 2.588 178.216 175.800 -0.286 0.000 1.088 37 F CA 0.892 58.623 58.000 -0.449 0.000 1.358 37 F CB -1.977 36.403 39.000 -1.034 0.000 1.040 37 F HN 0.141 nan 8.300 nan 0.000 0.505 38 G N -0.005 108.915 108.800 0.201 0.000 2.402 38 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.216 38 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.216 38 G C 2.052 177.082 174.900 0.217 0.000 1.162 38 G CA 0.823 46.127 45.100 0.340 0.000 0.777 38 G HN 0.488 nan 8.290 nan 0.000 0.539 39 G N 0.413 109.301 108.800 0.146 0.000 2.422 39 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.218 39 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.218 39 G C 1.669 176.623 174.900 0.091 0.000 1.140 39 G CA 0.947 46.100 45.100 0.088 0.000 0.775 39 G HN 0.406 nan 8.290 nan 0.000 0.545 40 L N 0.744 122.030 121.223 0.106 0.000 2.249 40 L HA 0.563 4.903 4.340 -0.000 0.000 0.207 40 L C 1.892 178.825 176.870 0.106 0.000 1.090 40 L CA 0.655 55.553 54.840 0.097 0.000 0.802 40 L CB -0.424 41.692 42.059 0.096 0.000 0.947 40 L HN 0.185 nan 8.230 nan 0.000 0.453 41 A N -0.612 122.289 122.820 0.136 0.000 2.386 41 A HA 0.403 4.723 4.320 -0.000 0.000 0.246 41 A C 0.495 178.178 177.584 0.164 0.000 1.089 41 A CA -0.005 52.146 52.037 0.189 0.000 0.790 41 A CB -0.124 19.109 19.000 0.389 0.000 1.042 41 A HN 0.332 nan 8.150 nan 0.000 0.497 42 S N 0.221 116.009 115.700 0.148 0.000 2.528 42 S HA 0.549 5.019 4.470 -0.000 0.000 0.277 42 S C 0.844 175.511 174.600 0.111 0.000 1.297 42 S CA 0.383 58.650 58.200 0.110 0.000 1.052 42 S CB 0.418 63.671 63.200 0.087 0.000 0.917 42 S HN 2.194 nan 8.310 nan 0.000 0.492 43 G N 2.516 111.371 108.800 0.091 0.000 2.584 43 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.229 43 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.229 43 G C -0.555 174.404 174.900 0.098 0.000 1.320 43 G CA -0.289 44.860 45.100 0.081 0.000 0.891 43 G HN 0.767 nan 8.290 nan 0.000 0.573 44 E N -0.284 119.967 120.200 0.084 0.000 2.216 44 E HA 0.603 4.953 4.350 -0.000 0.000 0.279 44 E C -0.492 176.171 176.600 0.106 0.000 0.997 44 E CA -0.223 56.233 56.400 0.093 0.000 0.817 44 E CB 0.938 30.679 29.700 0.068 0.000 1.096 44 E HN 0.462 nan 8.360 nan 0.000 0.393 45 T N 4.302 118.944 114.554 0.146 0.000 2.829 45 T HA 0.461 4.811 4.350 -0.000 0.000 0.280 45 T C -0.714 174.081 174.700 0.158 0.000 0.999 45 T CA -0.661 61.537 62.100 0.164 0.000 0.983 45 T CB 0.917 69.959 68.868 0.290 0.000 0.968 45 T HN 0.395 nan 8.240 nan 0.000 0.446 46 R N 2.663 123.237 120.500 0.123 0.000 2.480 46 R HA 0.645 4.985 4.340 -0.000 0.000 0.306 46 R C -0.900 175.480 176.300 0.134 0.000 0.958 46 R CA -0.640 55.536 56.100 0.127 0.000 0.861 46 R CB 1.642 31.989 30.300 0.078 0.000 1.171 46 R HN 0.518 nan 8.270 nan 0.000 0.445 47 I N 2.084 122.765 120.570 0.185 0.000 2.436 47 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 47 I C 0.126 176.342 176.117 0.165 0.000 1.010 47 I CA -0.752 60.645 61.300 0.161 0.000 1.098 47 I CB 2.250 40.349 38.000 0.165 0.000 1.266 47 I HN 0.597 nan 8.210 nan 0.000 0.434 48 T N 0.752 115.366 114.554 0.099 0.000 2.885 48 T HA 0.659 5.009 4.350 -0.000 0.000 0.285 48 T C 0.757 175.491 174.700 0.055 0.000 1.019 48 T CA -0.094 62.059 62.100 0.089 0.000 1.010 48 T CB 1.798 70.699 68.868 0.056 0.000 1.022 48 T HN 1.096 nan 8.240 nan 0.000 0.466 49 G N 0.781 109.617 108.800 0.059 0.000 2.143 49 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.249 49 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.249 49 G C -0.064 174.823 174.900 -0.023 0.000 0.981 49 G CA 0.024 45.135 45.100 0.017 0.000 0.665 49 G HN 1.085 nan 8.290 nan 0.000 0.528 50 L N 0.643 121.856 121.223 -0.016 0.000 2.525 50 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 50 L C 0.801 177.570 176.870 -0.168 0.000 1.218 50 L CA -0.433 54.302 54.840 -0.175 0.000 0.878 50 L CB 0.547 42.402 42.059 -0.339 0.000 1.127 50 L HN 0.345 nan 8.230 nan 0.000 0.492 51 L N 5.069 126.141 121.223 -0.253 0.000 2.360 51 L HA 0.203 4.543 4.340 -0.000 0.000 0.276 51 L C 0.391 177.124 176.870 -0.228 0.000 1.121 51 L CA 0.649 55.371 54.840 -0.196 0.000 0.845 51 L CB 0.415 42.341 42.059 -0.221 0.000 1.143 51 L HN 0.748 nan 8.230 nan 0.000 0.452 52 E N 4.315 124.458 120.200 -0.095 0.000 2.511 52 E HA 0.249 4.599 4.350 -0.000 0.000 0.214 52 E C 0.466 177.052 176.600 -0.024 0.000 1.062 52 E CA -0.221 56.145 56.400 -0.056 0.000 1.213 52 E CB 0.347 30.108 29.700 0.101 0.000 1.214 52 E HN 0.901 nan 8.360 nan 0.000 0.441 53 G N 0.769 109.533 108.800 -0.060 0.000 2.572 53 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.261 53 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.261 53 G C 0.628 175.504 174.900 -0.039 0.000 1.197 53 G CA -0.386 44.698 45.100 -0.026 0.000 0.870 53 G HN 0.148 nan 8.290 nan 0.000 0.548 54 E N 0.005 120.196 120.200 -0.016 0.000 2.130 54 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 54 E C 1.691 178.294 176.600 0.004 0.000 0.998 54 E CA 1.467 57.865 56.400 -0.004 0.000 0.806 54 E CB 0.050 29.748 29.700 -0.003 0.000 0.738 54 E HN 0.471 nan 8.360 nan 0.000 0.459 55 D N 0.239 120.636 120.400 -0.005 0.000 2.104 55 D HA -0.140 4.500 4.640 -0.000 0.000 0.194 55 D C 2.055 178.414 176.300 0.097 0.000 0.994 55 D CA 0.926 54.975 54.000 0.082 0.000 0.830 55 D CB -0.279 40.579 40.800 0.097 0.000 0.959 55 D HN 0.029 nan 8.370 nan 0.000 0.452 56 V N 1.225 121.050 119.914 -0.150 0.000 2.427 56 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 56 V C 2.363 178.481 176.094 0.039 0.000 1.051 56 V CA 0.817 62.971 62.300 -0.245 0.000 1.048 56 V CB -0.224 31.309 31.823 -0.483 0.000 0.666 56 V HN 0.184 nan 8.190 nan 0.000 0.456 57 I N 0.819 121.402 120.570 0.022 0.000 2.286 57 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 57 I C 2.294 178.441 176.117 0.051 0.000 1.115 57 I CA 1.408 62.752 61.300 0.073 0.000 1.392 57 I CB -1.487 36.536 38.000 0.039 0.000 1.065 57 I HN 0.384 nan 8.210 nan 0.000 0.418 58 N N 0.582 119.310 118.700 0.047 0.000 2.166 58 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 58 N C 1.835 177.324 175.510 -0.035 0.000 1.019 58 N CA 1.629 54.667 53.050 -0.021 0.000 0.856 58 N CB -0.459 38.030 38.487 0.004 0.000 0.993 58 N HN 0.322 nan 8.380 nan 0.000 0.426 59 T N -0.006 114.656 114.554 0.179 0.000 2.788 59 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 59 T C 1.870 176.624 174.700 0.091 0.000 1.044 59 T CA 1.360 63.622 62.100 0.269 0.000 1.139 59 T CB -0.605 68.559 68.868 0.493 0.000 0.867 59 T HN 0.390 nan 8.240 nan 0.000 0.454 60 G N 1.742 110.562 108.800 0.032 0.000 2.418 60 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 60 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 60 G C 1.588 176.297 174.900 -0.317 0.000 1.158 60 G CA 0.635 45.445 45.100 -0.484 0.000 0.771 60 G HN 0.443 nan 8.290 nan 0.000 0.545 61 K N 0.637 120.920 120.400 -0.195 0.000 2.148 61 K HA 0.093 4.413 4.320 -0.000 0.000 0.204 61 K C 2.907 179.392 176.600 -0.192 0.000 1.050 61 K CA 0.859 57.042 56.287 -0.174 0.000 0.942 61 K CB -0.169 32.242 32.500 -0.149 0.000 0.724 61 K HN 0.275 nan 8.250 nan 0.000 0.446 62 A N 1.443 124.132 122.820 -0.219 0.000 1.898 62 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 62 A C 2.131 179.644 177.584 -0.118 0.000 1.181 62 A CA 1.328 53.237 52.037 -0.214 0.000 0.620 62 A CB -0.306 18.544 19.000 -0.249 0.000 0.819 62 A HN 0.100 nan 8.150 nan 0.000 0.442 63 M N -0.344 119.199 119.600 -0.095 0.000 2.159 63 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 63 M C 2.182 178.418 176.300 -0.107 0.000 1.063 63 M CA 1.391 56.643 55.300 -0.080 0.000 1.110 63 M CB -1.604 30.942 32.600 -0.089 0.000 1.374 63 M HN 0.533 nan 8.290 nan 0.000 0.411 64 Q N -0.139 119.576 119.800 -0.141 0.000 2.084 64 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 64 Q C 2.162 178.097 176.000 -0.108 0.000 0.978 64 Q CA 1.701 57.434 55.803 -0.118 0.000 0.844 64 Q CB -0.335 28.331 28.738 -0.121 0.000 0.898 64 Q HN 0.589 nan 8.270 nan 0.000 0.426 65 A N 0.459 123.204 122.820 -0.125 0.000 2.076 65 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 65 A C 1.729 179.228 177.584 -0.141 0.000 1.160 65 A CA 1.184 53.141 52.037 -0.134 0.000 0.653 65 A CB -0.271 18.635 19.000 -0.157 0.000 0.801 65 A HN 0.314 nan 8.150 nan 0.000 0.455 66 M N -1.601 117.924 119.600 -0.125 0.000 2.419 66 M HA 0.264 4.744 4.480 -0.000 0.000 0.252 66 M C 1.163 177.403 176.300 -0.101 0.000 1.143 66 M CA 0.683 55.904 55.300 -0.132 0.000 0.985 66 M CB 0.673 33.209 32.600 -0.106 0.000 1.489 66 M HN 0.559 nan 8.290 nan 0.000 0.484 67 G N 0.417 109.167 108.800 -0.083 0.000 2.211 67 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.201 67 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.201 67 G C 0.159 175.039 174.900 -0.033 0.000 0.997 67 G CA -0.152 44.915 45.100 -0.055 0.000 0.652 67 G HN 0.610 nan 8.290 nan 0.000 0.500 68 A N 0.387 123.184 122.820 -0.037 0.000 2.371 68 A HA 0.788 5.108 4.320 -0.000 0.000 0.257 68 A C 0.547 178.112 177.584 -0.031 0.000 1.089 68 A CA 0.007 52.031 52.037 -0.022 0.000 0.794 68 A CB 0.376 19.359 19.000 -0.028 0.000 1.029 68 A HN 0.464 nan 8.150 nan 0.000 0.488 69 R N 0.913 121.409 120.500 -0.007 0.000 2.338 69 R HA 0.629 4.969 4.340 -0.000 0.000 0.317 69 R C -1.218 175.088 176.300 0.010 0.000 0.968 69 R CA -0.148 55.949 56.100 -0.005 0.000 0.849 69 R CB 1.396 31.701 30.300 0.008 0.000 1.128 69 R HN 0.665 nan 8.270 nan 0.000 0.448 70 I N 3.591 124.164 120.570 0.005 0.000 2.545 70 I HA 0.511 4.681 4.170 -0.000 0.000 0.292 70 I C -0.214 175.978 176.117 0.125 0.000 1.040 70 I CA -0.914 60.422 61.300 0.061 0.000 1.068 70 I CB 1.931 39.881 38.000 -0.084 0.000 1.251 70 I HN 0.622 nan 8.210 nan 0.000 0.424 71 R N 4.041 124.643 120.500 0.169 0.000 2.710 71 R HA 0.595 4.935 4.340 -0.000 0.000 0.270 71 R C -1.699 174.507 176.300 -0.157 0.000 1.021 71 R CA -1.167 54.948 56.100 0.025 0.000 0.889 71 R CB 2.290 32.580 30.300 -0.017 0.000 1.243 71 R HN 0.437 nan 8.270 nan 0.000 0.464 72 K N 1.425 121.531 120.400 -0.490 0.000 2.394 72 K HA 0.187 4.507 4.320 -0.000 0.000 0.260 72 K C -1.321 175.032 176.600 -0.411 0.000 0.967 72 K CA -0.413 55.383 56.287 -0.818 0.000 0.855 72 K CB 1.788 33.414 32.500 -1.455 0.000 1.101 72 K HN 0.703 nan 8.250 nan 0.000 0.433 73 E N 3.614 123.646 120.200 -0.280 0.000 2.114 73 E HA 0.320 4.670 4.350 -0.000 0.000 0.266 73 E C 0.275 176.789 176.600 -0.144 0.000 0.896 73 E CA -0.019 56.285 56.400 -0.161 0.000 0.750 73 E CB 0.990 30.634 29.700 -0.092 0.000 1.121 73 E HN 0.899 nan 8.360 nan 0.000 0.413 74 G N 4.963 113.688 108.800 -0.126 0.000 2.591 74 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.298 74 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.298 74 G C 0.373 175.205 174.900 -0.113 0.000 1.195 74 G CA 0.408 45.453 45.100 -0.092 0.000 0.989 74 G HN 0.677 nan 8.290 nan 0.000 0.551 75 D N 1.407 121.765 120.400 -0.070 0.000 2.368 75 D HA 0.313 4.953 4.640 -0.000 0.000 0.218 75 D C 0.604 176.890 176.300 -0.023 0.000 1.112 75 D CA 0.851 54.824 54.000 -0.045 0.000 0.834 75 D CB 0.336 41.135 40.800 -0.001 0.000 0.953 75 D HN 0.340 nan 8.370 nan 0.000 0.505 76 T N 0.233 114.749 114.554 -0.063 0.000 2.797 76 T HA 0.297 4.647 4.350 -0.000 0.000 0.279 76 T C -0.406 174.274 174.700 -0.033 0.000 0.991 76 T CA -0.596 61.512 62.100 0.013 0.000 0.979 76 T CB 1.250 70.133 68.868 0.025 0.000 0.943 76 T HN -0.049 nan 8.240 nan 0.000 0.444 77 W N 2.978 124.322 121.300 0.073 0.000 2.351 77 W HA 0.618 5.278 4.660 -0.000 0.000 0.311 77 W C -0.206 176.383 176.519 0.117 0.000 1.168 77 W CA -0.725 56.694 57.345 0.124 0.000 1.200 77 W CB 0.497 30.086 29.460 0.216 0.000 1.221 77 W HN 0.419 nan 8.180 nan 0.000 0.519 78 I N 5.212 125.946 120.570 0.272 0.000 2.406 78 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 78 I C -0.386 175.850 176.117 0.199 0.000 0.999 78 I CA -0.883 60.530 61.300 0.189 0.000 1.124 78 I CB 1.128 39.184 38.000 0.093 0.000 1.289 78 I HN 0.138 nan 8.210 nan 0.000 0.441 79 I N 4.718 125.402 120.570 0.189 0.000 2.465 79 I HA 0.318 4.488 4.170 -0.000 0.000 0.291 79 I C -0.959 175.232 176.117 0.123 0.000 1.014 79 I CA -0.681 60.713 61.300 0.157 0.000 1.093 79 I CB 2.034 40.149 38.000 0.191 0.000 1.267 79 I HN 0.441 nan 8.210 nan 0.000 0.431 80 D N 5.902 126.355 120.400 0.088 0.000 2.412 80 D HA 0.293 4.933 4.640 -0.000 0.000 0.224 80 D C 0.264 176.609 176.300 0.075 0.000 1.093 80 D CA -0.020 54.025 54.000 0.076 0.000 0.850 80 D CB 2.062 42.894 40.800 0.052 0.000 1.046 80 D HN 0.709 nan 8.370 nan 0.000 0.507 81 G N 0.163 109.022 108.800 0.098 0.000 2.572 81 G HA2 0.290 4.250 3.960 -0.000 0.000 0.261 81 G HA3 0.290 4.250 3.960 -0.000 0.000 0.261 81 G C 1.266 176.213 174.900 0.078 0.000 1.197 81 G CA -0.581 44.578 45.100 0.098 0.000 0.870 81 G HN 0.315 nan 8.290 nan 0.000 0.548 82 V N -1.504 118.454 119.914 0.073 0.000 3.506 82 V HA 0.543 4.663 4.120 -0.000 0.000 0.263 82 V C 1.152 177.296 176.094 0.083 0.000 1.203 82 V CA 0.534 62.874 62.300 0.067 0.000 1.133 82 V CB -1.143 30.714 31.823 0.056 0.000 0.802 82 V HN 2.152 nan 8.190 nan 0.000 0.459 83 G N 1.200 110.056 108.800 0.094 0.000 2.777 83 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.686 83 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.686 83 G C -0.550 174.415 174.900 0.109 0.000 1.177 83 G CA -0.172 44.985 45.100 0.096 0.000 0.775 83 G HN 0.777 nan 8.290 nan 0.000 0.613 84 N N 0.876 119.634 118.700 0.098 0.000 2.359 84 N HA 0.448 5.188 4.740 -0.000 0.000 0.261 84 N C 1.682 177.267 175.510 0.125 0.000 1.267 84 N CA 2.129 55.242 53.050 0.105 0.000 0.864 84 N CB 0.452 38.975 38.487 0.059 0.000 1.063 84 N HN 2.220 nan 8.380 nan 0.000 0.474 85 G N 1.810 110.738 108.800 0.214 0.000 2.175 85 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 85 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 85 G C 0.755 175.855 174.900 0.333 0.000 0.982 85 G CA 0.386 45.610 45.100 0.206 0.000 0.641 85 G HN 0.873 nan 8.290 nan 0.000 0.527 86 G N -0.015 108.950 108.800 0.275 0.000 3.189 86 G HA2 0.506 4.466 3.960 -0.000 0.000 0.225 86 G HA3 0.506 4.466 3.960 -0.000 0.000 0.225 86 G C 0.723 175.721 174.900 0.163 0.000 1.159 86 G CA -0.159 45.063 45.100 0.204 0.000 0.763 86 G HN 0.545 nan 8.290 nan 0.000 0.549 87 L N 1.104 122.405 121.223 0.129 0.000 2.456 87 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 87 L C 0.201 177.089 176.870 0.029 0.000 1.189 87 L CA -0.118 54.679 54.840 -0.071 0.000 0.846 87 L CB 0.960 42.760 42.059 -0.432 0.000 1.111 87 L HN -0.014 nan 8.230 nan 0.000 0.475 88 L N 2.474 123.639 121.223 -0.095 0.000 2.344 88 L HA 0.546 4.886 4.340 -0.000 0.000 0.272 88 L C 0.468 176.925 176.870 -0.689 0.000 1.035 88 L CA -0.831 53.867 54.840 -0.237 0.000 0.807 88 L CB 1.485 43.446 42.059 -0.164 0.000 1.237 88 L HN 0.668 nan 8.230 nan 0.000 0.442 89 A N 3.498 125.651 122.820 -1.111 0.000 2.524 89 A HA 0.339 4.659 4.320 -0.000 0.000 0.250 89 A C -2.092 175.111 177.584 -0.635 0.000 1.078 89 A CA -0.782 50.378 52.037 -1.461 0.000 0.761 89 A CB -0.801 17.620 19.000 -0.965 0.000 1.012 89 A HN 0.444 nan 8.150 nan 0.000 0.500 90 P HA 0.151 nan 4.420 nan 0.000 0.275 90 P C 0.240 177.421 177.300 -0.198 0.000 1.227 90 P CA -0.125 62.817 63.100 -0.263 0.000 0.781 90 P CB 1.125 32.700 31.700 -0.208 0.000 0.906 91 E N 1.150 121.255 120.200 -0.158 0.000 2.072 91 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 91 E C 0.770 177.313 176.600 -0.096 0.000 0.985 91 E CA 0.944 57.274 56.400 -0.116 0.000 0.801 91 E CB 0.148 29.789 29.700 -0.098 0.000 0.750 91 E HN 0.627 nan 8.360 nan 0.000 0.452 92 A N 0.667 123.423 122.820 -0.107 0.000 2.437 92 A HA 0.557 4.877 4.320 -0.000 0.000 0.292 92 A C -2.584 174.930 177.584 -0.117 0.000 1.173 92 A CA -1.440 50.541 52.037 -0.093 0.000 0.785 92 A CB 0.561 19.510 19.000 -0.085 0.000 1.351 92 A HN -0.148 nan 8.150 nan 0.000 0.431 93 P HA 0.292 nan 4.420 nan 0.000 0.267 93 P C -1.076 176.113 177.300 -0.186 0.000 1.200 93 P CA 0.177 63.202 63.100 -0.126 0.000 0.772 93 P CB 0.246 31.907 31.700 -0.065 0.000 0.855 94 L N 2.674 123.733 121.223 -0.273 0.000 2.260 94 L HA 0.253 4.593 4.340 -0.000 0.000 0.289 94 L C 0.548 177.218 176.870 -0.334 0.000 1.057 94 L CA -0.354 54.262 54.840 -0.374 0.000 0.811 94 L CB 0.341 42.139 42.059 -0.435 0.000 1.184 94 L HN 0.295 nan 8.230 nan 0.000 0.429 95 D N 2.918 123.093 120.400 -0.375 0.000 2.347 95 D HA 0.167 4.807 4.640 -0.000 0.000 0.235 95 D C 0.160 176.241 176.300 -0.365 0.000 1.149 95 D CA -0.149 53.713 54.000 -0.230 0.000 0.850 95 D CB 0.783 41.495 40.800 -0.146 0.000 1.061 95 D HN 0.255 nan 8.370 nan 0.000 0.487 96 F N 2.108 122.079 119.950 0.034 0.000 2.727 96 F HA 0.242 4.769 4.527 -0.000 0.000 0.302 96 F C 2.063 177.888 175.800 0.042 0.000 1.097 96 F CA 0.276 58.305 58.000 0.048 0.000 1.330 96 F CB 0.253 39.296 39.000 0.073 0.000 1.084 96 F HN 0.618 nan 8.300 nan 0.000 0.578 97 G N 1.435 110.309 108.800 0.124 0.000 2.634 97 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.318 97 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.318 97 G C 1.227 176.188 174.900 0.102 0.000 1.207 97 G CA 0.762 45.914 45.100 0.087 0.000 0.987 97 G HN 0.392 nan 8.290 nan 0.000 0.547 98 N N 1.957 120.707 118.700 0.083 0.000 2.299 98 N HA 0.311 5.051 4.740 -0.000 0.000 0.187 98 N C 1.100 176.658 175.510 0.081 0.000 1.099 98 N CA 0.771 53.861 53.050 0.067 0.000 0.867 98 N CB 0.002 38.502 38.487 0.022 0.000 0.974 98 N HN 0.855 nan 8.380 nan 0.000 0.477 99 A N 0.743 123.637 122.820 0.124 0.000 2.527 99 A HA 0.516 4.836 4.320 -0.000 0.000 0.313 99 A C 1.184 178.786 177.584 0.030 0.000 1.410 99 A CA -0.198 51.909 52.037 0.117 0.000 1.060 99 A CB 0.230 19.362 19.000 0.220 0.000 1.137 99 A HN 0.315 nan 8.150 nan 0.000 0.542 100 A N 2.527 125.342 122.820 -0.009 0.000 1.969 100 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 100 A C 2.163 179.643 177.584 -0.174 0.000 1.169 100 A CA 2.316 54.307 52.037 -0.076 0.000 0.635 100 A CB -0.776 18.203 19.000 -0.036 0.000 0.810 100 A HN 0.617 nan 8.150 nan 0.000 0.445 101 T N -0.085 114.359 114.554 -0.184 0.000 2.684 101 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 101 T C 1.976 176.400 174.700 -0.461 0.000 1.036 101 T CA 1.666 63.587 62.100 -0.298 0.000 1.148 101 T CB -0.698 67.971 68.868 -0.332 0.000 0.863 101 T HN 0.584 nan 8.240 nan 0.000 0.436 102 G N -0.138 108.315 108.800 -0.578 0.000 2.421 102 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 102 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 102 G C 2.005 176.384 174.900 -0.868 0.000 1.171 102 G CA 0.992 45.828 45.100 -0.439 0.000 0.775 102 G HN 0.585 nan 8.290 nan 0.000 0.543 103 C N 0.595 119.267 119.300 -1.048 0.000 2.436 103 C HA 0.045 4.505 4.460 -0.000 0.000 0.277 103 C C 3.042 177.668 174.990 -0.607 0.000 1.241 103 C CA 1.269 59.600 59.018 -1.145 0.000 1.721 103 C CB -0.871 26.573 27.740 -0.493 0.000 2.043 103 C HN 0.479 nan 8.230 nan 0.000 0.472 104 R N -0.125 120.135 120.500 -0.400 0.000 2.075 104 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 104 R C 1.967 178.120 176.300 -0.246 0.000 1.126 104 R CA 1.256 57.179 56.100 -0.296 0.000 0.963 104 R CB -0.537 29.644 30.300 -0.198 0.000 0.858 104 R HN 0.413 nan 8.270 nan 0.000 0.435 105 L N 0.208 121.300 121.223 -0.219 0.000 2.093 105 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 105 L C 2.259 179.089 176.870 -0.068 0.000 1.085 105 L CA 1.759 56.529 54.840 -0.117 0.000 0.755 105 L CB -0.649 41.355 42.059 -0.092 0.000 0.904 105 L HN 0.122 nan 8.230 nan 0.000 0.435 106 T N -1.208 113.292 114.554 -0.091 0.000 2.951 106 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 106 T C 1.946 176.737 174.700 0.151 0.000 1.073 106 T CA 1.005 63.171 62.100 0.111 0.000 1.134 106 T CB -0.158 68.881 68.868 0.286 0.000 0.884 106 T HN 0.206 nan 8.240 nan 0.000 0.479 107 M N 0.941 120.444 119.600 -0.161 0.000 2.108 107 M HA -0.037 4.443 4.480 -0.000 0.000 0.261 107 M C 2.744 178.965 176.300 -0.131 0.000 1.066 107 M CA 1.792 56.850 55.300 -0.404 0.000 1.107 107 M CB -0.656 31.553 32.600 -0.652 0.000 1.356 107 M HN 0.391 nan 8.290 nan 0.000 0.406 108 G N 0.102 108.843 108.800 -0.098 0.000 2.394 108 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 108 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 108 G C 1.393 176.314 174.900 0.035 0.000 1.165 108 G CA 0.441 45.513 45.100 -0.047 0.000 0.784 108 G HN 0.310 nan 8.290 nan 0.000 0.535 109 L N 1.311 122.582 121.223 0.080 0.000 1.989 109 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 109 L C 2.835 179.830 176.870 0.209 0.000 1.071 109 L CA 2.584 57.511 54.840 0.145 0.000 0.749 109 L CB -0.371 41.777 42.059 0.150 0.000 0.890 109 L HN 0.232 nan 8.230 nan 0.000 0.431 110 V N -3.974 116.055 119.914 0.191 0.000 3.471 110 V HA 0.344 4.464 4.120 -0.000 0.000 0.258 110 V C 2.227 178.421 176.094 0.166 0.000 1.192 110 V CA 0.699 63.102 62.300 0.172 0.000 1.116 110 V CB -1.067 30.868 31.823 0.187 0.000 0.792 110 V HN 0.355 nan 8.190 nan 0.000 0.459 111 G N 1.721 110.608 108.800 0.146 0.000 2.462 111 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 111 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 111 G C 1.405 176.311 174.900 0.010 0.000 1.121 111 G CA 1.675 46.816 45.100 0.068 0.000 0.758 111 G HN 0.995 nan 8.290 nan 0.000 0.559 112 V N -3.169 116.761 119.914 0.027 0.000 3.646 112 V HA 0.364 4.484 4.120 -0.000 0.000 0.277 112 V C 0.520 176.515 176.094 -0.166 0.000 1.274 112 V CA -0.831 61.430 62.300 -0.065 0.000 1.164 112 V CB -1.273 30.496 31.823 -0.091 0.000 0.926 112 V HN 0.143 nan 8.190 nan 0.000 0.442 113 Y N 0.567 120.669 120.300 -0.331 0.000 2.320 113 Y HA 0.503 5.053 4.550 -0.000 0.000 0.324 113 Y C 0.868 176.428 175.900 -0.567 0.000 1.190 113 Y CA -0.828 56.947 58.100 -0.541 0.000 1.215 113 Y CB 0.925 38.763 38.460 -1.036 0.000 1.221 113 Y HN 0.034 nan 8.280 nan 0.000 0.486 114 D N 3.515 123.764 120.400 -0.251 0.000 2.934 114 D HA 0.112 4.752 4.640 -0.000 0.000 0.237 114 D C -1.416 174.909 176.300 0.041 0.000 1.158 114 D CA 0.286 54.229 54.000 -0.096 0.000 0.971 114 D CB -1.204 39.583 40.800 -0.022 0.000 1.123 114 D HN 0.300 nan 8.370 nan 0.000 0.467 115 F N -1.689 118.327 119.950 0.111 0.000 2.713 115 F HA 0.442 4.969 4.527 -0.000 0.000 0.311 115 F C -0.677 175.168 175.800 0.075 0.000 1.141 115 F CA -1.570 56.477 58.000 0.079 0.000 0.939 115 F CB 0.494 39.536 39.000 0.069 0.000 1.325 115 F HN -0.326 nan 8.300 nan 0.000 0.453 116 D N 1.536 122.171 120.400 0.391 0.000 2.304 116 D HA 0.464 5.104 4.640 -0.000 0.000 0.247 116 D C -0.533 175.958 176.300 0.318 0.000 1.089 116 D CA 0.232 54.392 54.000 0.267 0.000 0.910 116 D CB 1.717 42.608 40.800 0.152 0.000 1.199 116 D HN 0.737 nan 8.370 nan 0.000 0.426 117 S N 0.025 115.878 115.700 0.254 0.000 2.575 117 S HA 0.554 5.024 4.470 -0.000 0.000 0.278 117 S C -0.553 174.115 174.600 0.114 0.000 1.139 117 S CA -0.818 57.479 58.200 0.162 0.000 0.954 117 S CB 1.845 65.195 63.200 0.251 0.000 1.054 117 S HN 0.214 nan 8.310 nan 0.000 0.483 118 T N 3.080 117.587 114.554 -0.079 0.000 2.856 118 T HA 0.684 5.034 4.350 -0.000 0.000 0.283 118 T C -1.363 173.213 174.700 -0.206 0.000 1.008 118 T CA -0.296 61.810 62.100 0.010 0.000 0.997 118 T CB 0.390 69.272 68.868 0.025 0.000 0.992 118 T HN 0.525 nan 8.240 nan 0.000 0.454 119 F N 3.384 123.398 119.950 0.107 0.000 2.493 119 F HA 0.679 5.206 4.527 -0.000 0.000 0.329 119 F C 0.273 176.148 175.800 0.126 0.000 1.126 119 F CA -1.252 56.846 58.000 0.163 0.000 0.937 119 F CB 1.057 40.141 39.000 0.140 0.000 1.146 119 F HN 0.437 nan 8.300 nan 0.000 0.442 120 I N -0.320 120.402 120.570 0.255 0.000 3.145 120 I HA 1.112 5.282 4.170 -0.000 0.000 0.313 120 I C -0.290 175.937 176.117 0.184 0.000 1.122 120 I CA -0.907 60.494 61.300 0.169 0.000 0.987 120 I CB 2.436 40.484 38.000 0.081 0.000 1.236 120 I HN 0.651 nan 8.210 nan 0.000 0.453 121 G N 1.223 110.099 108.800 0.128 0.000 2.554 121 G HA2 0.426 4.386 3.960 -0.000 0.000 0.306 121 G HA3 0.426 4.386 3.960 -0.000 0.000 0.306 121 G C -1.958 172.989 174.900 0.078 0.000 1.320 121 G CA -0.210 44.963 45.100 0.121 0.000 0.800 121 G HN 0.932 nan 8.290 nan 0.000 0.481 122 D N -0.602 119.841 120.400 0.071 0.000 2.414 122 D HA 0.509 5.149 4.640 -0.000 0.000 0.259 122 D C 1.726 178.056 176.300 0.051 0.000 1.269 122 D CA 0.385 54.417 54.000 0.052 0.000 1.028 122 D CB 0.543 41.370 40.800 0.046 0.000 1.093 122 D HN 0.687 nan 8.370 nan 0.000 0.545 123 A N -0.371 122.475 122.820 0.043 0.000 1.972 123 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 123 A C 2.192 179.806 177.584 0.049 0.000 1.169 123 A CA 2.343 54.406 52.037 0.043 0.000 0.635 123 A CB -1.094 17.929 19.000 0.039 0.000 0.810 123 A HN 0.542 nan 8.150 nan 0.000 0.446 124 S N -0.815 114.918 115.700 0.054 0.000 2.345 124 S HA -0.101 4.368 4.470 -0.000 0.000 0.219 124 S C 1.934 176.566 174.600 0.054 0.000 1.031 124 S CA 1.342 59.577 58.200 0.059 0.000 0.984 124 S CB -0.436 62.806 63.200 0.069 0.000 0.874 124 S HN 0.441 nan 8.310 nan 0.000 0.451 125 L N 1.996 123.254 121.223 0.058 0.000 2.083 125 L HA 0.003 4.343 4.340 -0.000 0.000 0.209 125 L C 2.346 179.245 176.870 0.048 0.000 1.083 125 L CA 2.253 57.126 54.840 0.056 0.000 0.752 125 L CB -1.405 40.699 42.059 0.076 0.000 0.899 125 L HN 0.330 nan 8.230 nan 0.000 0.433 126 T N -0.819 113.766 114.554 0.052 0.000 2.977 126 T HA -0.145 4.205 4.350 -0.000 0.000 0.271 126 T C 1.692 176.412 174.700 0.033 0.000 1.105 126 T CA 1.238 63.366 62.100 0.046 0.000 1.116 126 T CB -0.139 68.757 68.868 0.048 0.000 0.878 126 T HN 0.390 nan 8.240 nan 0.000 0.509 127 K N 0.231 120.649 120.400 0.030 0.000 2.361 127 K HA 0.171 4.491 4.320 -0.000 0.000 0.194 127 K C 0.780 177.388 176.600 0.014 0.000 1.032 127 K CA 0.030 56.330 56.287 0.021 0.000 1.048 127 K CB 0.419 32.932 32.500 0.022 0.000 0.842 127 K HN 0.222 nan 8.250 nan 0.000 0.526 128 R N 2.146 122.654 120.500 0.015 0.000 2.582 128 R HA 0.126 4.466 4.340 -0.000 0.000 0.271 128 R C -2.421 173.876 176.300 -0.005 0.000 1.078 128 R CA -1.740 54.364 56.100 0.006 0.000 1.127 128 R CB 0.121 30.426 30.300 0.009 0.000 1.038 128 R HN -0.038 nan 8.270 nan 0.000 0.500 129 P HA 0.023 nan 4.420 nan 0.000 0.276 129 P C -0.301 176.978 177.300 -0.033 0.000 1.243 129 P CA 0.134 63.223 63.100 -0.018 0.000 0.768 129 P CB 0.961 32.653 31.700 -0.014 0.000 0.856 130 M N 2.071 121.645 119.600 -0.043 0.000 2.308 130 M HA 0.125 4.605 4.480 -0.000 0.000 0.269 130 M C 2.032 178.289 176.300 -0.071 0.000 1.040 130 M CA 0.327 55.584 55.300 -0.073 0.000 1.024 130 M CB -0.926 31.618 32.600 -0.093 0.000 1.465 130 M HN 0.432 nan 8.290 nan 0.000 0.517 131 G N 2.294 111.066 108.800 -0.045 0.000 2.469 131 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 131 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 131 G C 1.619 176.498 174.900 -0.034 0.000 1.136 131 G CA 1.009 46.086 45.100 -0.037 0.000 0.759 131 G HN 0.597 nan 8.290 nan 0.000 0.562 132 R N 0.413 120.898 120.500 -0.025 0.000 2.159 132 R HA -0.039 4.301 4.340 -0.000 0.000 0.237 132 R C 2.230 178.505 176.300 -0.041 0.000 1.131 132 R CA 1.830 57.928 56.100 -0.004 0.000 0.982 132 R CB -0.755 29.548 30.300 0.005 0.000 0.868 132 R HN 0.491 nan 8.270 nan 0.000 0.453 133 V N -1.855 118.005 119.914 -0.089 0.000 3.085 133 V HA 0.114 4.234 4.120 -0.000 0.000 0.245 133 V C 2.159 178.153 176.094 -0.167 0.000 1.114 133 V CA 0.245 62.460 62.300 -0.142 0.000 1.108 133 V CB -0.482 31.247 31.823 -0.157 0.000 0.798 133 V HN 0.120 nan 8.190 nan 0.000 0.471 134 L N 0.858 121.999 121.223 -0.138 0.000 2.141 134 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 134 L C 2.656 179.458 176.870 -0.115 0.000 1.094 134 L CA 1.504 56.268 54.840 -0.128 0.000 0.763 134 L CB -0.870 41.128 42.059 -0.101 0.000 0.908 134 L HN 0.346 nan 8.230 nan 0.000 0.437 135 N N 0.188 118.829 118.700 -0.098 0.000 2.058 135 N HA -0.116 4.624 4.740 -0.000 0.000 0.191 135 N C -0.720 174.699 175.510 -0.152 0.000 1.037 135 N CA 1.569 54.574 53.050 -0.075 0.000 0.848 135 N CB -1.439 37.048 38.487 0.001 0.000 1.021 135 N HN 0.253 nan 8.380 nan 0.000 0.422 136 P HA -0.082 nan 4.420 nan 0.000 0.218 136 P C 1.641 178.770 177.300 -0.286 0.000 1.149 136 P CA 0.947 63.725 63.100 -0.536 0.000 0.817 136 P CB -0.009 30.993 31.700 -1.162 0.000 0.785 137 L N -0.694 120.396 121.223 -0.222 0.000 2.083 137 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 137 L C 2.969 179.776 176.870 -0.105 0.000 1.083 137 L CA 1.400 56.150 54.840 -0.150 0.000 0.752 137 L CB -0.699 41.278 42.059 -0.136 0.000 0.899 137 L HN -0.096 nan 8.230 nan 0.000 0.433 138 R N -0.085 120.359 120.500 -0.094 0.000 2.096 138 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 138 R C 2.191 178.461 176.300 -0.050 0.000 1.127 138 R CA 1.341 57.405 56.100 -0.059 0.000 0.968 138 R CB -0.212 30.061 30.300 -0.044 0.000 0.861 138 R HN 0.378 nan 8.270 nan 0.000 0.440 139 E N 0.534 120.699 120.200 -0.059 0.000 2.204 139 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 139 E C 1.515 178.090 176.600 -0.041 0.000 0.989 139 E CA 0.901 57.280 56.400 -0.035 0.000 0.824 139 E CB 0.138 29.827 29.700 -0.018 0.000 0.756 139 E HN 0.295 nan 8.360 nan 0.000 0.477 140 M N -1.082 118.479 119.600 -0.065 0.000 2.618 140 M HA 0.110 4.590 4.480 -0.000 0.000 0.240 140 M C 1.115 177.383 176.300 -0.053 0.000 1.123 140 M CA 0.819 56.083 55.300 -0.060 0.000 1.060 140 M CB 0.897 33.450 32.600 -0.078 0.000 1.535 140 M HN 0.307 nan 8.290 nan 0.000 0.507 141 G N 0.401 109.173 108.800 -0.047 0.000 2.159 141 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.227 141 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.227 141 G C 0.002 174.879 174.900 -0.040 0.000 0.986 141 G CA -0.413 44.664 45.100 -0.039 0.000 0.651 141 G HN 0.282 nan 8.290 nan 0.000 0.523 142 V N 1.648 121.534 119.914 -0.046 0.000 2.583 142 V HA 0.342 4.462 4.120 -0.000 0.000 0.287 142 V C 0.772 176.849 176.094 -0.028 0.000 1.051 142 V CA -0.024 62.253 62.300 -0.040 0.000 1.010 142 V CB 1.538 33.331 31.823 -0.050 0.000 0.988 142 V HN 0.426 nan 8.190 nan 0.000 0.478 143 Q N 3.115 122.908 119.800 -0.013 0.000 2.274 143 Q HA 0.510 4.850 4.340 -0.000 0.000 0.256 143 Q C -1.017 174.985 176.000 0.004 0.000 0.927 143 Q CA -0.406 55.396 55.803 -0.003 0.000 0.939 143 Q CB 1.966 30.709 28.738 0.007 0.000 1.201 143 Q HN 0.580 nan 8.270 nan 0.000 0.426 144 V N 3.279 123.192 119.914 -0.002 0.000 2.495 144 V HA 0.393 4.513 4.120 -0.000 0.000 0.298 144 V C -0.410 175.690 176.094 0.011 0.000 1.031 144 V CA -0.788 61.512 62.300 -0.000 0.000 0.871 144 V CB 1.780 33.589 31.823 -0.023 0.000 0.988 144 V HN 0.654 nan 8.190 nan 0.000 0.432 145 K N 3.223 123.638 120.400 0.025 0.000 2.463 145 K HA 0.734 5.054 4.320 -0.000 0.000 0.255 145 K C -0.573 176.046 176.600 0.031 0.000 0.942 145 K CA -0.340 55.964 56.287 0.029 0.000 0.814 145 K CB 2.087 34.611 32.500 0.040 0.000 1.122 145 K HN 0.893 nan 8.250 nan 0.000 0.425 146 S N 1.294 117.007 115.700 0.021 0.000 2.685 146 S HA 0.464 4.934 4.470 -0.000 0.000 0.282 146 S C -0.732 173.880 174.600 0.019 0.000 1.159 146 S CA -1.105 57.107 58.200 0.020 0.000 0.833 146 S CB 1.741 64.942 63.200 0.002 0.000 1.151 146 S HN 0.316 nan 8.310 nan 0.000 0.485 147 E N 1.147 121.359 120.200 0.020 0.000 2.314 147 E HA 0.328 4.678 4.350 -0.000 0.000 0.262 147 E C -0.751 175.855 176.600 0.011 0.000 1.093 147 E CA -0.506 55.904 56.400 0.017 0.000 0.908 147 E CB 0.317 30.030 29.700 0.021 0.000 1.091 147 E HN 0.607 nan 8.360 nan 0.000 0.425 148 D N 0.157 120.563 120.400 0.010 0.000 2.583 148 D HA 0.126 4.766 4.640 -0.000 0.000 0.232 148 D C 1.100 177.402 176.300 0.004 0.000 1.128 148 D CA 1.572 55.576 54.000 0.006 0.000 0.859 148 D CB 0.272 41.076 40.800 0.006 0.000 1.169 148 D HN 0.676 nan 8.370 nan 0.000 0.481 149 G N 2.316 111.117 108.800 0.001 0.000 2.141 149 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.242 149 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.242 149 G C 0.192 175.088 174.900 -0.006 0.000 0.982 149 G CA 0.104 45.203 45.100 -0.002 0.000 0.662 149 G HN 0.673 nan 8.290 nan 0.000 0.527 150 D N -1.404 118.992 120.400 -0.007 0.000 2.746 150 D HA -0.126 4.514 4.640 -0.000 0.000 0.241 150 D C 0.772 177.063 176.300 -0.015 0.000 1.140 150 D CA 1.649 55.640 54.000 -0.014 0.000 0.707 150 D CB -0.338 40.449 40.800 -0.023 0.000 1.034 150 D HN 0.763 nan 8.370 nan 0.000 0.423 151 R N -0.516 119.983 120.500 -0.003 0.000 2.828 151 R HA 0.689 5.029 4.340 -0.000 0.000 0.264 151 R C 0.256 176.567 176.300 0.017 0.000 1.022 151 R CA -0.732 55.370 56.100 0.004 0.000 1.021 151 R CB 0.845 31.151 30.300 0.010 0.000 1.163 151 R HN 0.078 nan 8.270 nan 0.000 0.494 152 L N 2.434 123.675 121.223 0.030 0.000 2.473 152 L HA 0.306 4.646 4.340 -0.000 0.000 0.268 152 L C -1.780 175.124 176.870 0.056 0.000 1.215 152 L CA -1.608 53.268 54.840 0.060 0.000 0.823 152 L CB 0.334 42.444 42.059 0.085 0.000 1.099 152 L HN 0.308 nan 8.230 nan 0.000 0.483 153 P HA 0.159 nan 4.420 nan 0.000 0.271 153 P C -1.068 176.292 177.300 0.100 0.000 1.218 153 P CA -0.140 63.018 63.100 0.096 0.000 0.780 153 P CB 1.026 32.774 31.700 0.080 0.000 0.901 154 V N 2.654 122.661 119.914 0.155 0.000 2.709 154 V HA 0.426 4.546 4.120 -0.000 0.000 0.308 154 V C -0.217 176.020 176.094 0.238 0.000 1.062 154 V CA -0.280 62.105 62.300 0.141 0.000 0.901 154 V CB 2.421 34.280 31.823 0.060 0.000 1.003 154 V HN 0.465 nan 8.190 nan 0.000 0.425 155 T N 6.192 120.847 114.554 0.168 0.000 2.812 155 T HA 0.682 5.032 4.350 -0.000 0.000 0.282 155 T C -0.581 174.213 174.700 0.158 0.000 0.990 155 T CA -0.300 61.914 62.100 0.190 0.000 0.960 155 T CB 0.923 69.864 68.868 0.121 0.000 0.948 155 T HN 0.345 nan 8.240 nan 0.000 0.438 156 L N 2.790 124.141 121.223 0.214 0.000 2.334 156 L HA 0.824 5.164 4.340 -0.000 0.000 0.273 156 L C -0.061 176.885 176.870 0.126 0.000 1.013 156 L CA -1.204 53.721 54.840 0.142 0.000 0.816 156 L CB 1.620 43.772 42.059 0.155 0.000 1.278 156 L HN 0.352 nan 8.230 nan 0.000 0.431 157 R N 1.227 121.768 120.500 0.068 0.000 2.518 157 R HA 0.502 4.842 4.340 -0.000 0.000 0.296 157 R C -0.563 175.739 176.300 0.003 0.000 1.080 157 R CA -0.392 55.737 56.100 0.049 0.000 0.922 157 R CB 1.379 31.711 30.300 0.054 0.000 1.184 157 R HN 0.706 nan 8.270 nan 0.000 0.445 158 G N 4.279 113.056 108.800 -0.037 0.000 2.569 158 G HA2 0.396 4.356 3.960 -0.000 0.000 0.249 158 G HA3 0.396 4.356 3.960 -0.000 0.000 0.249 158 G C -2.264 172.601 174.900 -0.058 0.000 1.216 158 G CA -0.976 44.085 45.100 -0.065 0.000 0.845 158 G HN 0.554 nan 8.290 nan 0.000 0.568 159 P HA 0.180 nan 4.420 nan 0.000 0.278 159 P C 0.447 177.710 177.300 -0.061 0.000 1.266 159 P CA -0.578 62.493 63.100 -0.048 0.000 0.807 159 P CB 1.843 33.516 31.700 -0.046 0.000 1.094 160 K N -0.294 120.080 120.400 -0.043 0.000 2.057 160 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 160 K C -0.037 176.524 176.600 -0.066 0.000 1.049 160 K CA 1.329 57.589 56.287 -0.045 0.000 0.931 160 K CB -0.213 32.272 32.500 -0.026 0.000 0.714 160 K HN 0.427 nan 8.250 nan 0.000 0.440 161 T N 3.146 117.664 114.554 -0.061 0.000 2.930 161 T HA 0.335 4.685 4.350 -0.000 0.000 0.313 161 T C -2.677 171.982 174.700 -0.068 0.000 1.019 161 T CA -1.456 60.603 62.100 -0.068 0.000 1.004 161 T CB 1.934 70.773 68.868 -0.049 0.000 0.987 161 T HN 0.043 nan 8.240 nan 0.000 0.456 162 P HA 0.314 nan 4.420 nan 0.000 0.272 162 P C -0.419 176.845 177.300 -0.060 0.000 1.230 162 P CA -0.373 62.680 63.100 -0.078 0.000 0.788 162 P CB 0.424 32.064 31.700 -0.100 0.000 0.949 163 T N 3.488 118.012 114.554 -0.050 0.000 2.749 163 T HA 0.384 4.734 4.350 -0.000 0.000 0.287 163 T C -2.306 172.373 174.700 -0.036 0.000 0.970 163 T CA -1.360 60.718 62.100 -0.038 0.000 0.980 163 T CB 0.641 69.492 68.868 -0.029 0.000 0.924 163 T HN 0.337 nan 8.240 nan 0.000 0.456 164 P HA 0.428 nan 4.420 nan 0.000 0.275 164 P C -0.578 176.717 177.300 -0.009 0.000 1.228 164 P CA -0.488 62.599 63.100 -0.023 0.000 0.786 164 P CB 0.802 32.489 31.700 -0.020 0.000 0.927 165 I N -1.990 118.581 120.570 0.001 0.000 3.239 165 I HA 0.632 4.802 4.170 -0.000 0.000 0.314 165 I C -0.945 175.203 176.117 0.051 0.000 1.126 165 I CA -0.967 60.350 61.300 0.028 0.000 0.973 165 I CB 2.318 40.342 38.000 0.041 0.000 1.252 165 I HN 0.026 nan 8.210 nan 0.000 0.463 166 T N 2.103 116.700 114.554 0.073 0.000 2.791 166 T HA 0.423 4.773 4.350 -0.000 0.000 0.288 166 T C -1.544 173.234 174.700 0.129 0.000 0.999 166 T CA -0.150 61.993 62.100 0.072 0.000 0.952 166 T CB 0.370 69.257 68.868 0.032 0.000 0.938 166 T HN 0.508 nan 8.240 nan 0.000 0.444 167 Y N 2.926 123.217 120.300 -0.016 0.000 2.338 167 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 167 Y C 0.079 175.969 175.900 -0.015 0.000 0.968 167 Y CA -1.176 56.914 58.100 -0.017 0.000 1.123 167 Y CB 1.029 39.477 38.460 -0.019 0.000 1.165 167 Y HN 0.480 nan 8.280 nan 0.000 0.452 168 R N 5.522 125.748 120.500 -0.456 0.000 2.202 168 R HA 0.460 4.800 4.340 -0.000 0.000 0.334 168 R C -1.374 174.655 176.300 -0.452 0.000 1.036 168 R CA -0.468 55.440 56.100 -0.322 0.000 0.878 168 R CB 0.482 30.635 30.300 -0.246 0.000 1.067 168 R HN 0.564 nan 8.270 nan 0.000 0.457 169 V N 8.283 128.094 119.914 -0.172 0.000 2.479 169 V HA 0.075 4.195 4.120 -0.000 0.000 0.281 169 V C -1.049 174.997 176.094 -0.080 0.000 1.031 169 V CA -1.033 61.236 62.300 -0.052 0.000 1.038 169 V CB 1.109 32.967 31.823 0.058 0.000 0.981 169 V HN 0.870 nan 8.190 nan 0.000 0.478 170 P HA -0.022 nan 4.420 nan 0.000 0.223 170 P C 0.195 177.481 177.300 -0.023 0.000 1.151 170 P CA 1.072 64.139 63.100 -0.055 0.000 0.787 170 P CB 0.327 32.001 31.700 -0.045 0.000 0.788 171 M N -2.310 117.288 119.600 -0.003 0.000 2.658 171 M HA 0.650 5.130 4.480 -0.000 0.000 0.295 171 M C -0.798 175.506 176.300 0.006 0.000 1.248 171 M CA -1.528 53.772 55.300 0.000 0.000 0.843 171 M CB 1.191 33.793 32.600 0.005 0.000 1.749 171 M HN -0.250 nan 8.290 nan 0.000 0.464 172 A N 2.035 124.859 122.820 0.006 0.000 3.048 172 A HA 0.406 4.726 4.320 -0.000 0.000 0.264 172 A C 0.193 177.787 177.584 0.018 0.000 1.796 172 A CA 0.022 52.066 52.037 0.011 0.000 1.445 172 A CB -1.227 17.781 19.000 0.013 0.000 1.074 172 A HN 0.755 nan 8.150 nan 0.000 0.621 173 S N 0.735 116.447 115.700 0.020 0.000 2.456 173 S HA 0.540 5.010 4.470 -0.000 0.000 0.316 173 S C 1.086 175.699 174.600 0.022 0.000 1.089 173 S CA -0.013 58.200 58.200 0.022 0.000 1.101 173 S CB 1.118 64.331 63.200 0.021 0.000 0.995 173 S HN 0.897 nan 8.310 nan 0.000 0.468 174 A N 4.403 127.235 122.820 0.020 0.000 2.014 174 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 174 A C 1.960 179.556 177.584 0.020 0.000 1.163 174 A CA 0.917 52.966 52.037 0.019 0.000 0.652 174 A CB -0.413 18.598 19.000 0.019 0.000 0.808 174 A HN 0.887 nan 8.150 nan 0.000 0.449 175 Q N -0.497 119.308 119.800 0.009 0.000 2.119 175 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 175 Q C 2.076 178.064 176.000 -0.020 0.000 0.972 175 Q CA 1.498 57.293 55.803 -0.014 0.000 0.847 175 Q CB -0.243 28.473 28.738 -0.036 0.000 0.903 175 Q HN 0.499 nan 8.270 nan 0.000 0.433 176 V N 1.469 121.380 119.914 -0.004 0.000 2.307 176 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 176 V C 2.316 178.419 176.094 0.015 0.000 1.045 176 V CA 1.956 64.256 62.300 -0.001 0.000 1.024 176 V CB -0.543 31.306 31.823 0.042 0.000 0.651 176 V HN 0.348 nan 8.190 nan 0.000 0.449 177 K N 0.292 120.715 120.400 0.039 0.000 2.032 177 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 177 K C 2.250 178.869 176.600 0.031 0.000 1.048 177 K CA 2.151 58.465 56.287 0.046 0.000 0.927 177 K CB -0.270 32.254 32.500 0.040 0.000 0.712 177 K HN 0.445 nan 8.250 nan 0.000 0.441 178 S N 0.603 116.321 115.700 0.030 0.000 2.368 178 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 178 S C 2.081 176.698 174.600 0.028 0.000 1.030 178 S CA 1.084 59.313 58.200 0.048 0.000 0.999 178 S CB -0.299 62.938 63.200 0.060 0.000 0.844 178 S HN 0.553 nan 8.310 nan 0.000 0.459 179 A N 1.182 123.995 122.820 -0.013 0.000 1.902 179 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 179 A C 2.330 179.885 177.584 -0.048 0.000 1.181 179 A CA 1.513 53.524 52.037 -0.043 0.000 0.623 179 A CB -0.861 18.083 19.000 -0.093 0.000 0.818 179 A HN 0.349 nan 8.150 nan 0.000 0.443 180 V N 0.018 119.899 119.914 -0.056 0.000 2.358 180 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 180 V C 2.541 178.617 176.094 -0.030 0.000 1.047 180 V CA 1.829 64.088 62.300 -0.068 0.000 1.035 180 V CB -0.753 31.031 31.823 -0.065 0.000 0.658 180 V HN 0.559 nan 8.190 nan 0.000 0.452 181 L N -0.661 120.558 121.223 -0.006 0.000 2.046 181 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 181 L C 2.386 179.249 176.870 -0.012 0.000 1.077 181 L CA 1.428 56.264 54.840 -0.006 0.000 0.747 181 L CB -0.511 41.551 42.059 0.005 0.000 0.896 181 L HN 0.297 nan 8.230 nan 0.000 0.432 182 L N -0.532 120.699 121.223 0.013 0.000 2.093 182 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 182 L C 2.863 179.747 176.870 0.024 0.000 1.085 182 L CA 1.030 55.889 54.840 0.032 0.000 0.755 182 L CB -0.838 41.276 42.059 0.092 0.000 0.904 182 L HN 0.245 nan 8.230 nan 0.000 0.435 183 A N 0.634 123.454 122.820 0.001 0.000 1.933 183 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 183 A C 2.388 179.954 177.584 -0.030 0.000 1.175 183 A CA 1.545 53.575 52.037 -0.012 0.000 0.628 183 A CB -1.079 17.893 19.000 -0.047 0.000 0.814 183 A HN 0.433 nan 8.150 nan 0.000 0.444 184 G N -0.163 108.618 108.800 -0.032 0.000 2.470 184 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.220 184 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.220 184 G C 1.430 176.305 174.900 -0.041 0.000 1.121 184 G CA 0.933 46.010 45.100 -0.038 0.000 0.766 184 G HN 0.466 nan 8.290 nan 0.000 0.553 185 L N -0.070 121.133 121.223 -0.033 0.000 2.191 185 L HA -0.004 4.336 4.340 -0.000 0.000 0.212 185 L C 2.013 178.858 176.870 -0.042 0.000 1.103 185 L CA 0.882 55.701 54.840 -0.034 0.000 0.769 185 L CB -0.130 41.916 42.059 -0.023 0.000 0.908 185 L HN 0.167 nan 8.230 nan 0.000 0.438 186 N N -0.968 117.690 118.700 -0.071 0.000 2.273 186 N HA 0.042 4.782 4.740 -0.000 0.000 0.231 186 N C -0.666 174.744 175.510 -0.167 0.000 1.134 186 N CA 0.058 53.007 53.050 -0.168 0.000 0.856 186 N CB 0.426 38.688 38.487 -0.376 0.000 1.068 186 N HN -0.051 nan 8.380 nan 0.000 0.510 187 T N 2.118 116.610 114.554 -0.104 0.000 2.792 187 T HA 0.406 4.756 4.350 -0.000 0.000 0.280 187 T C -2.805 171.856 174.700 -0.065 0.000 0.990 187 T CA -1.332 60.715 62.100 -0.088 0.000 0.960 187 T CB 2.201 71.026 68.868 -0.071 0.000 0.939 187 T HN 0.064 nan 8.240 nan 0.000 0.439 188 P HA 0.492 nan 4.420 nan 0.000 0.276 188 P C 0.433 177.713 177.300 -0.034 0.000 1.230 188 P CA 0.432 63.506 63.100 -0.044 0.000 0.776 188 P CB 0.896 32.570 31.700 -0.042 0.000 0.888 189 G N 2.759 111.543 108.800 -0.027 0.000 2.466 189 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.316 189 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.316 189 G C -1.359 173.530 174.900 -0.018 0.000 1.270 189 G CA -0.784 44.303 45.100 -0.020 0.000 0.982 189 G HN 0.473 nan 8.290 nan 0.000 0.506 190 I N 1.321 121.883 120.570 -0.013 0.000 2.339 190 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 190 I C 0.721 176.834 176.117 -0.007 0.000 0.994 190 I CA -0.364 60.930 61.300 -0.010 0.000 1.191 190 I CB 0.583 38.579 38.000 -0.006 0.000 1.343 190 I HN 0.466 nan 8.210 nan 0.000 0.458 191 T N 5.605 120.154 114.554 -0.009 0.000 2.799 191 T HA 0.484 4.834 4.350 -0.000 0.000 0.286 191 T C 0.250 174.954 174.700 0.008 0.000 0.973 191 T CA -0.165 61.933 62.100 -0.002 0.000 1.035 191 T CB 0.991 69.852 68.868 -0.012 0.000 0.932 191 T HN 0.547 nan 8.240 nan 0.000 0.469 192 T N 2.813 117.380 114.554 0.022 0.000 2.848 192 T HA 0.563 4.913 4.350 -0.000 0.000 0.285 192 T C -0.620 174.110 174.700 0.051 0.000 0.995 192 T CA -0.532 61.584 62.100 0.027 0.000 0.970 192 T CB 1.385 70.265 68.868 0.020 0.000 0.976 192 T HN 0.309 nan 8.240 nan 0.000 0.441 193 V N 4.385 124.326 119.914 0.045 0.000 2.495 193 V HA 0.544 4.664 4.120 -0.000 0.000 0.298 193 V C -0.398 175.716 176.094 0.034 0.000 1.031 193 V CA -0.810 61.530 62.300 0.066 0.000 0.871 193 V CB 1.626 33.488 31.823 0.066 0.000 0.988 193 V HN 0.793 nan 8.190 nan 0.000 0.432 194 I N 4.073 124.654 120.570 0.019 0.000 2.378 194 I HA 0.465 4.635 4.170 -0.000 0.000 0.291 194 I C -0.094 176.014 176.117 -0.014 0.000 0.992 194 I CA -0.296 60.999 61.300 -0.008 0.000 1.154 194 I CB 1.749 39.731 38.000 -0.031 0.000 1.315 194 I HN 0.720 nan 8.210 nan 0.000 0.448 195 E N 9.168 129.363 120.200 -0.009 0.000 2.141 195 E HA 0.360 4.710 4.350 -0.000 0.000 0.259 195 E C -2.115 174.476 176.600 -0.014 0.000 0.883 195 E CA -1.838 54.557 56.400 -0.008 0.000 0.744 195 E CB 1.726 31.427 29.700 0.002 0.000 1.150 195 E HN 0.291 nan 8.360 nan 0.000 0.420 196 P HA -0.012 nan 4.420 nan 0.000 0.221 196 P C 0.166 177.459 177.300 -0.013 0.000 1.150 196 P CA 0.725 63.813 63.100 -0.020 0.000 0.800 196 P CB 0.626 32.310 31.700 -0.027 0.000 0.787 197 I N -0.157 120.407 120.570 -0.010 0.000 2.499 197 I HA 0.289 4.459 4.170 -0.000 0.000 0.288 197 I C 0.391 176.505 176.117 -0.004 0.000 1.048 197 I CA -1.297 60.000 61.300 -0.005 0.000 1.062 197 I CB 2.387 40.386 38.000 -0.002 0.000 1.238 197 I HN -0.170 nan 8.210 nan 0.000 0.426 198 M N 6.015 125.611 119.600 -0.006 0.000 2.251 198 M HA 0.099 4.579 4.480 -0.000 0.000 0.343 198 M C 0.050 176.344 176.300 -0.011 0.000 1.245 198 M CA 0.848 56.142 55.300 -0.011 0.000 1.061 198 M CB 0.465 33.057 32.600 -0.014 0.000 1.723 198 M HN 0.790 nan 8.290 nan 0.000 0.449 199 T N 2.554 117.097 114.554 -0.018 0.000 2.888 199 T HA 0.542 4.892 4.350 -0.000 0.000 0.288 199 T C -0.526 174.139 174.700 -0.058 0.000 1.063 199 T CA -1.301 60.787 62.100 -0.021 0.000 1.010 199 T CB 0.933 69.798 68.868 -0.005 0.000 1.214 199 T HN 0.846 nan 8.240 nan 0.000 0.533 200 R N 0.813 121.266 120.500 -0.080 0.000 2.523 200 R HA 0.074 4.414 4.340 -0.000 0.000 0.281 200 R C -0.605 175.541 176.300 -0.257 0.000 0.969 200 R CA 0.160 56.131 56.100 -0.214 0.000 1.093 200 R CB -0.262 29.917 30.300 -0.203 0.000 0.917 200 R HN 0.795 nan 8.270 nan 0.000 0.408 201 D N 1.878 122.071 120.400 -0.344 0.000 2.525 201 D HA 0.004 4.644 4.640 -0.000 0.000 0.229 201 D C 0.402 176.630 176.300 -0.121 0.000 1.202 201 D CA -0.319 53.574 54.000 -0.180 0.000 0.828 201 D CB -0.135 40.610 40.800 -0.092 0.000 1.008 201 D HN 0.604 nan 8.370 nan 0.000 0.493 202 H N 0.470 119.584 119.070 0.072 0.000 2.387 202 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 202 H C 1.428 176.855 175.328 0.165 0.000 1.099 202 H CA 1.713 57.820 56.048 0.097 0.000 1.315 202 H CB -0.568 29.235 29.762 0.068 0.000 1.380 202 H HN 0.206 nan 8.280 nan 0.000 0.513 203 T N 1.300 116.007 114.554 0.256 0.000 2.674 203 T HA -0.123 4.227 4.350 -0.000 0.000 0.265 203 T C 1.954 176.770 174.700 0.194 0.000 1.039 203 T CA 1.635 63.917 62.100 0.304 0.000 1.150 203 T CB -0.073 68.929 68.868 0.224 0.000 0.864 203 T HN 0.385 nan 8.240 nan 0.000 0.427 204 E N 1.300 121.566 120.200 0.109 0.000 2.058 204 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 204 E C 2.251 178.902 176.600 0.084 0.000 0.997 204 E CA 1.168 57.607 56.400 0.065 0.000 0.801 204 E CB -0.162 29.561 29.700 0.038 0.000 0.746 204 E HN 0.444 nan 8.360 nan 0.000 0.450 205 K N -0.022 120.445 120.400 0.112 0.000 2.057 205 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 205 K C 2.202 178.910 176.600 0.179 0.000 1.049 205 K CA 1.481 57.844 56.287 0.126 0.000 0.931 205 K CB -0.145 32.433 32.500 0.130 0.000 0.714 205 K HN 0.124 nan 8.250 nan 0.000 0.440 206 M N 0.636 120.396 119.600 0.266 0.000 2.200 206 M HA -0.100 4.380 4.480 -0.000 0.000 0.265 206 M C 2.087 178.587 176.300 0.334 0.000 1.066 206 M CA 1.358 56.896 55.300 0.397 0.000 1.127 206 M CB -0.219 32.733 32.600 0.587 0.000 1.379 206 M HN 0.093 nan 8.290 nan 0.000 0.420 207 L N -0.203 121.063 121.223 0.072 0.000 2.083 207 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 207 L C 2.506 179.406 176.870 0.049 0.000 1.083 207 L CA 1.397 56.166 54.840 -0.119 0.000 0.752 207 L CB -0.685 41.236 42.059 -0.231 0.000 0.899 207 L HN 0.404 nan 8.230 nan 0.000 0.433 208 Q N -0.305 119.538 119.800 0.072 0.000 2.084 208 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 208 Q C 2.287 178.344 176.000 0.095 0.000 0.978 208 Q CA 1.446 57.289 55.803 0.068 0.000 0.844 208 Q CB -0.366 28.405 28.738 0.056 0.000 0.898 208 Q HN 0.608 nan 8.270 nan 0.000 0.426 209 G N -0.368 108.516 108.800 0.139 0.000 2.448 209 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 209 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 209 G C 0.817 175.747 174.900 0.049 0.000 1.127 209 G CA 0.277 45.433 45.100 0.094 0.000 0.766 209 G HN 0.235 nan 8.290 nan 0.000 0.552 210 F N 0.663 120.625 119.950 0.020 0.000 2.797 210 F HA 0.330 4.857 4.527 -0.000 0.000 0.302 210 F C 1.992 177.790 175.800 -0.004 0.000 1.130 210 F CA 0.500 58.508 58.000 0.014 0.000 1.387 210 F CB 0.539 39.534 39.000 -0.008 0.000 1.107 210 F HN 0.260 nan 8.300 nan 0.000 0.577 211 G N -0.052 108.824 108.800 0.127 0.000 2.176 211 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.232 211 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.232 211 G C 0.432 175.362 174.900 0.051 0.000 0.986 211 G CA -0.215 44.928 45.100 0.072 0.000 0.643 211 G HN 0.594 nan 8.290 nan 0.000 0.522 212 A N -0.017 122.828 122.820 0.042 0.000 2.445 212 A HA 0.533 4.853 4.320 -0.000 0.000 0.242 212 A C 0.679 178.265 177.584 0.004 0.000 1.075 212 A CA 0.583 52.622 52.037 0.003 0.000 0.777 212 A CB 0.267 19.243 19.000 -0.040 0.000 1.013 212 A HN 0.812 nan 8.150 nan 0.000 0.493 213 N N 1.578 120.277 118.700 -0.002 0.000 2.807 213 N HA 0.270 5.010 4.740 -0.000 0.000 0.259 213 N C -1.139 174.368 175.510 -0.005 0.000 1.149 213 N CA 0.147 53.197 53.050 -0.000 0.000 1.042 213 N CB -0.456 38.031 38.487 -0.001 0.000 1.367 213 N HN 0.574 nan 8.380 nan 0.000 0.516 214 L N 2.187 123.409 121.223 -0.002 0.000 2.381 214 L HA 0.606 4.946 4.340 -0.000 0.000 0.274 214 L C -0.446 176.426 176.870 0.004 0.000 0.988 214 L CA -0.439 54.399 54.840 -0.004 0.000 0.824 214 L CB 1.607 43.660 42.059 -0.010 0.000 1.263 214 L HN 0.399 nan 8.230 nan 0.000 0.410 215 T N 1.514 116.070 114.554 0.003 0.000 2.908 215 T HA 0.772 5.122 4.350 -0.000 0.000 0.290 215 T C -0.770 173.934 174.700 0.006 0.000 1.034 215 T CA -0.751 61.352 62.100 0.005 0.000 1.010 215 T CB 1.971 70.842 68.868 0.004 0.000 1.068 215 T HN 0.274 nan 8.240 nan 0.000 0.481 216 V N 1.672 121.589 119.914 0.006 0.000 2.531 216 V HA 0.605 4.725 4.120 -0.000 0.000 0.301 216 V C -0.388 175.708 176.094 0.003 0.000 1.034 216 V CA -0.729 61.574 62.300 0.005 0.000 0.865 216 V CB 1.467 33.294 31.823 0.006 0.000 0.995 216 V HN 1.072 nan 8.190 nan 0.000 0.424 217 E N 2.344 122.545 120.200 0.002 0.000 2.199 217 E HA 0.594 4.944 4.350 -0.000 0.000 0.265 217 E C -1.135 175.465 176.600 -0.001 0.000 0.882 217 E CA -0.447 55.953 56.400 0.000 0.000 0.759 217 E CB 1.814 31.514 29.700 -0.000 0.000 1.148 217 E HN 0.694 nan 8.360 nan 0.000 0.412 218 T N 3.826 118.379 114.554 -0.002 0.000 2.779 218 T HA 0.152 4.502 4.350 -0.000 0.000 0.280 218 T C -0.493 174.204 174.700 -0.004 0.000 0.987 218 T CA -0.742 61.356 62.100 -0.003 0.000 0.966 218 T CB 1.082 69.948 68.868 -0.003 0.000 0.933 218 T HN 0.461 nan 8.240 nan 0.000 0.442 219 D N 1.891 122.288 120.400 -0.005 0.000 2.357 219 D HA 0.217 4.857 4.640 -0.000 0.000 0.242 219 D C 1.287 177.584 176.300 -0.005 0.000 1.153 219 D CA -0.401 53.596 54.000 -0.005 0.000 0.918 219 D CB 1.336 42.132 40.800 -0.007 0.000 1.181 219 D HN 0.530 nan 8.370 nan 0.000 0.435 220 A N 2.293 125.110 122.820 -0.005 0.000 2.076 220 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 220 A C 1.359 178.940 177.584 -0.005 0.000 1.160 220 A CA 1.737 53.771 52.037 -0.004 0.000 0.653 220 A CB -0.295 18.703 19.000 -0.004 0.000 0.801 220 A HN 0.693 nan 8.150 nan 0.000 0.455 221 D N -2.309 118.087 120.400 -0.006 0.000 2.336 221 D HA 0.272 4.912 4.640 -0.000 0.000 0.229 221 D C 1.174 177.470 176.300 -0.007 0.000 1.061 221 D CA 0.928 54.924 54.000 -0.006 0.000 0.875 221 D CB -0.525 40.271 40.800 -0.008 0.000 0.904 221 D HN 0.705 nan 8.370 nan 0.000 0.525 222 G N -0.557 108.239 108.800 -0.006 0.000 2.217 222 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.246 222 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.246 222 G C 0.270 175.165 174.900 -0.008 0.000 0.990 222 G CA 0.126 45.222 45.100 -0.006 0.000 0.627 222 G HN 0.398 nan 8.290 nan 0.000 0.522 223 V N 1.799 121.707 119.914 -0.009 0.000 2.585 223 V HA 0.352 4.472 4.120 -0.000 0.000 0.296 223 V C 1.060 177.149 176.094 -0.009 0.000 1.035 223 V CA 0.405 62.699 62.300 -0.011 0.000 1.084 223 V CB 0.930 32.745 31.823 -0.014 0.000 0.953 223 V HN 0.422 nan 8.190 nan 0.000 0.483 224 R N 2.792 123.288 120.500 -0.008 0.000 2.338 224 R HA 0.536 4.876 4.340 -0.000 0.000 0.317 224 R C -0.505 175.793 176.300 -0.004 0.000 0.968 224 R CA -0.397 55.700 56.100 -0.005 0.000 0.849 224 R CB 1.493 31.791 30.300 -0.004 0.000 1.128 224 R HN 0.682 nan 8.270 nan 0.000 0.448 225 T N 4.546 119.098 114.554 -0.002 0.000 2.788 225 T HA 0.425 4.775 4.350 -0.000 0.000 0.296 225 T C -0.013 174.689 174.700 0.003 0.000 1.009 225 T CA -0.460 61.640 62.100 0.000 0.000 0.949 225 T CB 0.415 69.282 68.868 -0.002 0.000 0.946 225 T HN 0.340 nan 8.240 nan 0.000 0.453 226 I N 3.844 124.418 120.570 0.008 0.000 2.355 226 I HA 0.446 4.616 4.170 -0.000 0.000 0.288 226 I C 0.368 176.490 176.117 0.008 0.000 0.999 226 I CA -0.734 60.571 61.300 0.009 0.000 1.163 226 I CB 1.237 39.244 38.000 0.012 0.000 1.316 226 I HN 0.273 nan 8.210 nan 0.000 0.454 227 R N 5.572 126.075 120.500 0.004 0.000 2.445 227 R HA 0.718 5.058 4.340 -0.000 0.000 0.308 227 R C -1.314 174.984 176.300 -0.003 0.000 0.961 227 R CA -0.902 55.199 56.100 0.002 0.000 0.862 227 R CB 2.310 32.611 30.300 0.001 0.000 1.144 227 R HN 0.402 nan 8.270 nan 0.000 0.447 228 L N 1.509 122.729 121.223 -0.006 0.000 2.409 228 L HA 0.360 4.700 4.340 -0.000 0.000 0.272 228 L C -0.797 176.063 176.870 -0.016 0.000 0.980 228 L CA -0.348 54.484 54.840 -0.014 0.000 0.826 228 L CB 1.984 44.029 42.059 -0.022 0.000 1.268 228 L HN 0.617 nan 8.230 nan 0.000 0.407 229 E N 3.324 123.514 120.200 -0.016 0.000 2.194 229 E HA 0.530 4.880 4.350 -0.000 0.000 0.284 229 E C -0.032 176.555 176.600 -0.022 0.000 1.035 229 E CA -0.447 55.944 56.400 -0.016 0.000 0.836 229 E CB 0.931 30.624 29.700 -0.011 0.000 1.070 229 E HN 0.900 nan 8.360 nan 0.000 0.401 230 G N 3.201 111.986 108.800 -0.026 0.000 2.572 230 G HA2 0.112 4.072 3.960 -0.000 0.000 0.261 230 G HA3 0.112 4.072 3.960 -0.000 0.000 0.261 230 G C -0.210 174.672 174.900 -0.031 0.000 1.197 230 G CA -0.501 44.579 45.100 -0.033 0.000 0.870 230 G HN 0.890 nan 8.290 nan 0.000 0.548 231 R N -1.325 119.153 120.500 -0.036 0.000 3.641 231 R HA -0.162 4.178 4.340 -0.000 0.000 0.286 231 R C 0.852 177.144 176.300 -0.014 0.000 1.153 231 R CA 0.406 56.488 56.100 -0.031 0.000 0.775 231 R CB -1.821 28.456 30.300 -0.039 0.000 1.215 231 R HN 0.848 nan 8.270 nan 0.000 0.474 232 G N 0.575 109.368 108.800 -0.010 0.000 2.462 232 G HA2 0.368 4.328 3.960 -0.000 0.000 0.319 232 G HA3 0.368 4.328 3.960 -0.000 0.000 0.319 232 G C -0.564 174.343 174.900 0.013 0.000 1.171 232 G CA -0.718 44.382 45.100 0.000 0.000 0.920 232 G HN 0.070 nan 8.290 nan 0.000 0.499 233 K N 0.023 120.437 120.400 0.023 0.000 2.326 233 K HA 0.339 4.659 4.320 -0.000 0.000 0.275 233 K C -0.615 176.018 176.600 0.054 0.000 1.018 233 K CA -0.155 56.155 56.287 0.039 0.000 0.962 233 K CB 0.357 32.880 32.500 0.040 0.000 0.953 233 K HN 0.277 nan 8.250 nan 0.000 0.475 234 L N 2.836 124.106 121.223 0.079 0.000 2.346 234 L HA 0.370 4.710 4.340 -0.000 0.000 0.276 234 L C -0.507 176.470 176.870 0.179 0.000 1.006 234 L CA -0.812 54.109 54.840 0.134 0.000 0.817 234 L CB 2.323 44.445 42.059 0.105 0.000 1.272 234 L HN 0.676 nan 8.230 nan 0.000 0.421 235 T N 1.086 115.769 114.554 0.216 0.000 2.807 235 T HA 0.405 4.755 4.350 -0.000 0.000 0.279 235 T C 0.378 175.165 174.700 0.145 0.000 0.993 235 T CA -0.574 61.614 62.100 0.147 0.000 0.970 235 T CB 1.723 70.627 68.868 0.060 0.000 0.950 235 T HN 0.745 nan 8.240 nan 0.000 0.441 236 G N 2.784 111.672 108.800 0.146 0.000 2.464 236 G HA2 0.338 4.298 3.960 -0.000 0.000 0.231 236 G HA3 0.338 4.298 3.960 -0.000 0.000 0.231 236 G C -0.414 174.407 174.900 -0.133 0.000 1.267 236 G CA -0.112 45.056 45.100 0.114 0.000 0.863 236 G HN 0.510 nan 8.290 nan 0.000 0.559 237 Q N -0.398 119.233 119.800 -0.282 0.000 2.544 237 Q HA 0.460 4.800 4.340 -0.000 0.000 0.291 237 Q C -0.830 175.083 176.000 -0.145 0.000 1.068 237 Q CA -0.889 54.705 55.803 -0.349 0.000 0.785 237 Q CB 2.291 30.566 28.738 -0.772 0.000 1.481 237 Q HN 0.330 nan 8.270 nan 0.000 0.430 238 V N 2.097 121.948 119.914 -0.106 0.000 2.383 238 V HA 0.453 4.573 4.120 -0.000 0.000 0.275 238 V C -0.061 176.019 176.094 -0.024 0.000 1.036 238 V CA -0.258 62.024 62.300 -0.030 0.000 0.889 238 V CB 0.860 32.672 31.823 -0.018 0.000 0.985 238 V HN 0.505 nan 8.190 nan 0.000 0.459 239 I N 3.981 124.565 120.570 0.023 0.000 2.509 239 I HA 0.454 4.624 4.170 -0.000 0.000 0.293 239 I C -0.970 175.169 176.117 0.036 0.000 1.020 239 I CA -0.479 60.845 61.300 0.039 0.000 1.088 239 I CB 2.236 40.288 38.000 0.087 0.000 1.267 239 I HN 0.513 nan 8.210 nan 0.000 0.430 240 D N 5.525 125.939 120.400 0.024 0.000 2.462 240 D HA 0.332 4.972 4.640 -0.000 0.000 0.245 240 D C -0.881 175.420 176.300 0.001 0.000 1.122 240 D CA -0.281 53.728 54.000 0.015 0.000 0.864 240 D CB 1.614 42.421 40.800 0.012 0.000 1.098 240 D HN 0.069 nan 8.370 nan 0.000 0.541 241 V N 6.533 126.438 119.914 -0.016 0.000 2.508 241 V HA 0.317 4.437 4.120 -0.000 0.000 0.281 241 V C -1.475 174.591 176.094 -0.047 0.000 1.041 241 V CA -0.941 61.330 62.300 -0.048 0.000 1.016 241 V CB 0.815 32.586 31.823 -0.088 0.000 0.984 241 V HN 0.555 nan 8.190 nan 0.000 0.478 242 P HA 0.266 nan 4.420 nan 0.000 0.278 242 P C 0.117 177.378 177.300 -0.065 0.000 1.266 242 P CA -0.209 62.865 63.100 -0.044 0.000 0.807 242 P CB 0.961 32.642 31.700 -0.031 0.000 1.094 243 G N 0.423 109.189 108.800 -0.056 0.000 2.491 243 G HA2 0.035 3.995 3.960 -0.000 0.000 0.242 243 G HA3 0.035 3.995 3.960 -0.000 0.000 0.242 243 G C -0.191 174.656 174.900 -0.087 0.000 1.266 243 G CA -0.157 44.899 45.100 -0.074 0.000 0.844 243 G HN 0.493 nan 8.290 nan 0.000 0.571 244 D N 2.358 122.686 120.400 -0.120 0.000 2.358 244 D HA 0.099 4.739 4.640 -0.000 0.000 0.258 244 D C -0.967 175.277 176.300 -0.094 0.000 1.223 244 D CA -1.762 52.168 54.000 -0.117 0.000 0.886 244 D CB 1.869 42.575 40.800 -0.156 0.000 1.120 244 D HN 0.091 nan 8.370 nan 0.000 0.482 245 P HA -0.053 nan 4.420 nan 0.000 0.222 245 P C 1.143 178.401 177.300 -0.071 0.000 1.153 245 P CA 0.403 63.470 63.100 -0.055 0.000 0.798 245 P CB 0.495 32.176 31.700 -0.030 0.000 0.796 246 S N -0.133 115.536 115.700 -0.051 0.000 2.387 246 S HA -0.041 4.429 4.470 -0.000 0.000 0.226 246 S C 2.148 176.735 174.600 -0.022 0.000 1.026 246 S CA 1.199 59.369 58.200 -0.050 0.000 0.972 246 S CB -0.633 62.586 63.200 0.031 0.000 0.814 246 S HN 0.213 nan 8.310 nan 0.000 0.477 247 S N 1.258 116.958 115.700 0.001 0.000 2.387 247 S HA -0.064 4.406 4.470 -0.000 0.000 0.226 247 S C 2.064 176.732 174.600 0.113 0.000 1.026 247 S CA 1.183 59.407 58.200 0.041 0.000 0.972 247 S CB -0.575 62.294 63.200 -0.551 0.000 0.814 247 S HN 0.532 nan 8.310 nan 0.000 0.477 248 T N 2.600 117.136 114.554 -0.029 0.000 2.803 248 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 248 T C 2.087 176.778 174.700 -0.015 0.000 1.052 248 T CA 1.170 63.270 62.100 0.001 0.000 1.136 248 T CB -0.491 68.353 68.868 -0.041 0.000 0.864 248 T HN 0.472 nan 8.240 nan 0.000 0.467 249 A N 0.652 123.378 122.820 -0.157 0.000 1.986 249 A HA -0.057 4.263 4.320 -0.000 0.000 0.220 249 A C 1.903 179.305 177.584 -0.304 0.000 1.171 249 A CA 1.373 53.230 52.037 -0.300 0.000 0.640 249 A CB -0.941 17.765 19.000 -0.490 0.000 0.811 249 A HN 0.548 nan 8.150 nan 0.000 0.451 250 F N 0.369 120.413 119.950 0.156 0.000 2.098 250 F HA -0.037 4.490 4.527 -0.000 0.000 0.294 250 F C 0.041 175.928 175.800 0.145 0.000 1.107 250 F CA 1.551 59.671 58.000 0.199 0.000 1.234 250 F CB -1.170 38.065 39.000 0.392 0.000 1.002 250 F HN 0.192 nan 8.300 nan 0.000 0.472 251 P HA -0.123 nan 4.420 nan 0.000 0.222 251 P C 1.990 179.332 177.300 0.071 0.000 1.153 251 P CA 1.195 64.384 63.100 0.149 0.000 0.798 251 P CB -0.019 31.766 31.700 0.142 0.000 0.796 252 L N -0.110 121.142 121.223 0.048 0.000 2.017 252 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 252 L C 2.366 179.229 176.870 -0.013 0.000 1.073 252 L CA 1.530 56.371 54.840 0.001 0.000 0.745 252 L CB -0.659 41.384 42.059 -0.027 0.000 0.894 252 L HN -0.229 nan 8.230 nan 0.000 0.432 253 V N 0.180 120.083 119.914 -0.019 0.000 2.548 253 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 253 V C 2.793 178.878 176.094 -0.015 0.000 1.055 253 V CA 1.420 63.706 62.300 -0.024 0.000 1.065 253 V CB -0.755 31.047 31.823 -0.036 0.000 0.681 253 V HN 0.600 nan 8.190 nan 0.000 0.462 254 A N 0.173 123.002 122.820 0.015 0.000 1.902 254 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 254 A C 2.405 179.966 177.584 -0.037 0.000 1.181 254 A CA 2.074 54.107 52.037 -0.008 0.000 0.623 254 A CB -0.695 18.318 19.000 0.021 0.000 0.818 254 A HN 0.566 nan 8.150 nan 0.000 0.443 255 A N -0.495 122.312 122.820 -0.023 0.000 1.969 255 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 255 A C 2.117 179.678 177.584 -0.038 0.000 1.169 255 A CA 1.313 53.333 52.037 -0.029 0.000 0.635 255 A CB -0.490 18.500 19.000 -0.017 0.000 0.810 255 A HN 0.475 nan 8.150 nan 0.000 0.445 256 L N -0.857 120.343 121.223 -0.039 0.000 2.109 256 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 256 L C 2.379 179.212 176.870 -0.062 0.000 1.086 256 L CA 0.861 55.677 54.840 -0.040 0.000 0.760 256 L CB -0.397 41.643 42.059 -0.032 0.000 0.910 256 L HN 0.367 nan 8.230 nan 0.000 0.437 257 L N -1.134 120.031 121.223 -0.098 0.000 2.202 257 L HA 0.034 4.374 4.340 -0.000 0.000 0.205 257 L C 0.811 177.565 176.870 -0.194 0.000 1.083 257 L CA -0.014 54.716 54.840 -0.182 0.000 0.790 257 L CB -0.074 41.800 42.059 -0.308 0.000 0.942 257 L HN -0.072 nan 8.230 nan 0.000 0.452 258 V N 2.006 121.833 119.914 -0.146 0.000 2.439 258 V HA 0.127 4.247 4.120 -0.000 0.000 0.271 258 V C -2.016 174.031 176.094 -0.078 0.000 1.040 258 V CA -1.295 60.934 62.300 -0.117 0.000 1.002 258 V CB 0.368 32.138 31.823 -0.088 0.000 1.000 258 V HN -0.002 nan 8.190 nan 0.000 0.477 259 P HA 0.208 nan 4.420 nan 0.000 0.267 259 P C 0.860 178.139 177.300 -0.034 0.000 1.200 259 P CA 1.012 64.086 63.100 -0.043 0.000 0.772 259 P CB 0.582 32.261 31.700 -0.034 0.000 0.855 260 G N 0.748 109.532 108.800 -0.026 0.000 2.147 260 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 260 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 260 G C 0.106 174.992 174.900 -0.023 0.000 1.005 260 G CA -0.107 44.980 45.100 -0.021 0.000 0.713 260 G HN 0.546 nan 8.290 nan 0.000 0.515 261 S N -0.126 115.558 115.700 -0.026 0.000 2.593 261 S HA 0.674 5.144 4.470 -0.000 0.000 0.297 261 S C -0.626 173.963 174.600 -0.020 0.000 1.112 261 S CA -0.441 57.744 58.200 -0.025 0.000 1.043 261 S CB 2.181 65.362 63.200 -0.032 0.000 1.054 261 S HN 0.392 nan 8.310 nan 0.000 0.516 262 D N 1.752 122.142 120.400 -0.017 0.000 2.318 262 D HA 0.311 4.951 4.640 -0.000 0.000 0.233 262 D C -1.673 174.620 176.300 -0.011 0.000 1.348 262 D CA -0.157 53.835 54.000 -0.013 0.000 0.983 262 D CB 1.058 41.851 40.800 -0.011 0.000 1.416 262 D HN 0.250 nan 8.370 nan 0.000 0.558 263 V N 2.655 122.564 119.914 -0.009 0.000 2.540 263 V HA 0.563 4.683 4.120 -0.000 0.000 0.302 263 V C 0.225 176.318 176.094 -0.002 0.000 1.035 263 V CA -0.478 61.819 62.300 -0.005 0.000 0.873 263 V CB 2.111 33.933 31.823 -0.002 0.000 0.992 263 V HN 0.501 nan 8.190 nan 0.000 0.428 264 T N 6.041 120.596 114.554 0.001 0.000 2.779 264 T HA 0.681 5.031 4.350 -0.000 0.000 0.280 264 T C -0.416 174.288 174.700 0.006 0.000 0.987 264 T CA -0.113 61.988 62.100 0.001 0.000 0.966 264 T CB 0.910 69.778 68.868 -0.000 0.000 0.933 264 T HN 0.357 nan 8.240 nan 0.000 0.442 265 I N 3.953 124.527 120.570 0.006 0.000 2.339 265 I HA 0.377 4.547 4.170 -0.000 0.000 0.290 265 I C -0.142 175.976 176.117 0.002 0.000 0.994 265 I CA -0.529 60.777 61.300 0.009 0.000 1.191 265 I CB 1.044 39.051 38.000 0.011 0.000 1.343 265 I HN 0.373 nan 8.210 nan 0.000 0.458 266 L N 5.698 126.923 121.223 0.002 0.000 2.357 266 L HA 0.393 4.733 4.340 -0.000 0.000 0.273 266 L C 1.069 177.935 176.870 -0.007 0.000 1.080 266 L CA -0.644 54.195 54.840 -0.002 0.000 0.803 266 L CB 0.540 42.600 42.059 0.002 0.000 1.174 266 L HN 0.776 nan 8.230 nan 0.000 0.443 267 N N 0.776 119.471 118.700 -0.008 0.000 2.738 267 N HA -0.158 4.582 4.740 -0.000 0.000 0.249 267 N C -0.885 174.614 175.510 -0.019 0.000 1.047 267 N CA -0.263 52.780 53.050 -0.012 0.000 0.707 267 N CB -0.188 38.292 38.487 -0.011 0.000 0.937 267 N HN 0.312 nan 8.380 nan 0.000 0.545 268 V N 2.057 121.960 119.914 -0.018 0.000 2.498 268 V HA 0.224 4.344 4.120 -0.000 0.000 0.279 268 V C 0.902 176.985 176.094 -0.018 0.000 1.048 268 V CA -0.635 61.650 62.300 -0.025 0.000 0.967 268 V CB 1.412 33.221 31.823 -0.024 0.000 0.988 268 V HN 0.271 nan 8.190 nan 0.000 0.473 269 L N 6.403 127.614 121.223 -0.020 0.000 2.499 269 L HA 0.177 4.517 4.340 -0.000 0.000 0.273 269 L C 0.632 177.506 176.870 0.005 0.000 1.195 269 L CA 1.045 55.883 54.840 -0.003 0.000 0.882 269 L CB 0.362 42.420 42.059 -0.002 0.000 1.133 269 L HN 0.601 nan 8.230 nan 0.000 0.483 270 M N 3.844 123.452 119.600 0.014 0.000 2.589 270 M HA 0.184 4.664 4.480 -0.000 0.000 0.344 270 M C 0.225 176.536 176.300 0.018 0.000 1.168 270 M CA -0.124 55.182 55.300 0.009 0.000 0.956 270 M CB -1.051 31.550 32.600 0.003 0.000 1.370 270 M HN 0.779 nan 8.290 nan 0.000 0.518 271 N N 3.748 122.471 118.700 0.038 0.000 2.411 271 N HA -0.003 4.737 4.740 -0.000 0.000 0.261 271 N C -1.369 174.151 175.510 0.016 0.000 1.248 271 N CA -0.667 52.406 53.050 0.039 0.000 0.885 271 N CB 1.248 39.786 38.487 0.084 0.000 1.062 271 N HN 0.015 nan 8.380 nan 0.000 0.471 272 P HA -0.158 nan 4.420 nan 0.000 0.223 272 P C 0.719 178.012 177.300 -0.013 0.000 1.144 272 P CA 1.178 64.274 63.100 -0.006 0.000 0.783 272 P CB -0.135 31.560 31.700 -0.007 0.000 0.771 273 T N -3.995 110.547 114.554 -0.020 0.000 3.160 273 T HA 0.100 4.450 4.350 -0.000 0.000 0.257 273 T C 1.499 176.192 174.700 -0.012 0.000 1.147 273 T CA 0.253 62.335 62.100 -0.029 0.000 1.064 273 T CB -0.307 68.519 68.868 -0.069 0.000 0.949 273 T HN -0.006 nan 8.240 nan 0.000 0.526 274 R N 0.856 121.358 120.500 0.003 0.000 2.446 274 R HA 0.182 4.522 4.340 -0.000 0.000 0.254 274 R C 1.559 177.851 176.300 -0.014 0.000 0.918 274 R CA 0.782 56.891 56.100 0.015 0.000 1.069 274 R CB -0.067 30.269 30.300 0.059 0.000 1.194 274 R HN 0.631 nan 8.270 nan 0.000 0.534 275 T N -2.995 111.546 114.554 -0.022 0.000 3.214 275 T HA 0.171 4.521 4.350 -0.000 0.000 0.264 275 T C 1.556 176.225 174.700 -0.052 0.000 1.012 275 T CA 0.254 62.332 62.100 -0.037 0.000 0.901 275 T CB 0.683 69.536 68.868 -0.026 0.000 1.070 275 T HN 0.119 nan 8.240 nan 0.000 0.561 276 G N 1.908 110.671 108.800 -0.062 0.000 2.422 276 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 276 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 276 G C 1.235 176.069 174.900 -0.110 0.000 1.146 276 G CA 0.913 45.967 45.100 -0.077 0.000 0.769 276 G HN 0.515 nan 8.290 nan 0.000 0.547 277 L N 0.639 121.779 121.223 -0.138 0.000 2.017 277 L HA 0.078 4.418 4.340 -0.000 0.000 0.208 277 L C 2.674 179.480 176.870 -0.107 0.000 1.073 277 L CA 1.371 56.117 54.840 -0.156 0.000 0.745 277 L CB -0.358 41.592 42.059 -0.182 0.000 0.894 277 L HN 0.252 nan 8.230 nan 0.000 0.432 278 I N -0.939 119.579 120.570 -0.085 0.000 2.208 278 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 278 I C 2.403 178.489 176.117 -0.050 0.000 1.097 278 I CA 1.426 62.689 61.300 -0.062 0.000 1.363 278 I CB -0.417 37.553 38.000 -0.050 0.000 1.051 278 I HN 0.365 nan 8.210 nan 0.000 0.413 279 L N 0.312 121.506 121.223 -0.048 0.000 2.046 279 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 279 L C 2.453 179.301 176.870 -0.037 0.000 1.077 279 L CA 2.140 56.958 54.840 -0.037 0.000 0.747 279 L CB -0.846 41.194 42.059 -0.033 0.000 0.896 279 L HN 0.150 nan 8.230 nan 0.000 0.432 280 T N -0.064 114.459 114.554 -0.052 0.000 2.708 280 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 280 T C 1.960 176.637 174.700 -0.039 0.000 1.037 280 T CA 1.824 63.895 62.100 -0.048 0.000 1.146 280 T CB -0.362 68.462 68.868 -0.074 0.000 0.865 280 T HN 0.303 nan 8.240 nan 0.000 0.435 281 L N 0.747 121.941 121.223 -0.048 0.000 2.083 281 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 281 L C 2.922 179.778 176.870 -0.024 0.000 1.083 281 L CA 1.369 56.187 54.840 -0.036 0.000 0.752 281 L CB -0.594 41.438 42.059 -0.045 0.000 0.899 281 L HN 0.326 nan 8.230 nan 0.000 0.433 282 Q N -0.142 119.643 119.800 -0.025 0.000 2.124 282 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 282 Q C 2.042 178.035 176.000 -0.012 0.000 0.977 282 Q CA 1.510 57.302 55.803 -0.018 0.000 0.850 282 Q CB -0.075 28.652 28.738 -0.018 0.000 0.901 282 Q HN 0.550 nan 8.270 nan 0.000 0.429 283 E N 0.112 120.304 120.200 -0.013 0.000 2.268 283 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 283 E C 1.566 178.164 176.600 -0.003 0.000 0.995 283 E CA 0.715 57.110 56.400 -0.007 0.000 0.836 283 E CB 0.019 29.714 29.700 -0.007 0.000 0.763 283 E HN 0.390 nan 8.360 nan 0.000 0.491 284 M N -0.894 118.703 119.600 -0.004 0.000 2.618 284 M HA 0.088 4.568 4.480 -0.000 0.000 0.240 284 M C 1.034 177.336 176.300 0.003 0.000 1.123 284 M CA 0.669 55.970 55.300 0.002 0.000 1.060 284 M CB 0.815 33.417 32.600 0.003 0.000 1.535 284 M HN 0.262 nan 8.290 nan 0.000 0.507 285 G N 0.388 109.187 108.800 -0.001 0.000 2.148 285 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.203 285 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.203 285 G C 0.105 175.003 174.900 -0.003 0.000 0.993 285 G CA -0.162 44.937 45.100 -0.000 0.000 0.661 285 G HN 0.652 nan 8.290 nan 0.000 0.518 286 A N 0.153 122.968 122.820 -0.007 0.000 2.462 286 A HA 0.507 4.827 4.320 -0.000 0.000 0.243 286 A C 0.340 177.917 177.584 -0.012 0.000 1.076 286 A CA 0.549 52.580 52.037 -0.011 0.000 0.773 286 A CB 0.459 19.448 19.000 -0.017 0.000 1.010 286 A HN 0.357 nan 8.150 nan 0.000 0.493 287 D N 2.254 122.646 120.400 -0.012 0.000 2.494 287 D HA 0.412 5.052 4.640 -0.000 0.000 0.217 287 D C -0.821 175.471 176.300 -0.014 0.000 1.153 287 D CA 0.158 54.152 54.000 -0.011 0.000 0.954 287 D CB -0.314 40.480 40.800 -0.010 0.000 1.034 287 D HN 0.358 nan 8.370 nan 0.000 0.518 288 I N 2.515 123.077 120.570 -0.014 0.000 2.410 288 I HA 0.220 4.390 4.170 -0.000 0.000 0.286 288 I C 0.215 176.324 176.117 -0.013 0.000 1.009 288 I CA -0.764 60.526 61.300 -0.016 0.000 1.111 288 I CB 1.978 39.966 38.000 -0.021 0.000 1.262 288 I HN 0.125 nan 8.210 nan 0.000 0.443 289 E N 6.056 126.249 120.200 -0.011 0.000 2.156 289 E HA 0.397 4.747 4.350 -0.000 0.000 0.279 289 E C -1.245 175.349 176.600 -0.009 0.000 0.965 289 E CA -0.661 55.734 56.400 -0.009 0.000 0.789 289 E CB 1.799 31.494 29.700 -0.008 0.000 1.098 289 E HN 0.325 nan 8.360 nan 0.000 0.397 290 V N 6.952 126.861 119.914 -0.009 0.000 2.368 290 V HA 0.261 4.381 4.120 -0.000 0.000 0.266 290 V C 0.215 176.306 176.094 -0.006 0.000 1.045 290 V CA -0.169 62.126 62.300 -0.008 0.000 0.899 290 V CB 0.452 32.270 31.823 -0.008 0.000 1.006 290 V HN 0.596 nan 8.190 nan 0.000 0.470 291 I N 4.497 125.064 120.570 -0.005 0.000 2.441 291 I HA 0.399 4.569 4.170 -0.000 0.000 0.295 291 I C 0.634 176.750 176.117 -0.003 0.000 0.994 291 I CA -0.734 60.563 61.300 -0.004 0.000 1.144 291 I CB 1.413 39.410 38.000 -0.004 0.000 1.314 291 I HN 0.691 nan 8.210 nan 0.000 0.445 292 N N 4.865 123.564 118.700 -0.002 0.000 2.688 292 N HA -0.119 4.621 4.740 -0.000 0.000 0.258 292 N C -2.376 173.133 175.510 -0.001 0.000 1.016 292 N CA -0.015 53.034 53.050 -0.001 0.000 0.747 292 N CB -0.547 37.940 38.487 -0.001 0.000 0.895 292 N HN 0.296 nan 8.380 nan 0.000 0.543 293 P HA 0.080 nan 4.420 nan 0.000 0.267 293 P C -0.238 177.063 177.300 0.002 0.000 1.205 293 P CA 0.525 63.626 63.100 0.000 0.000 0.765 293 P CB 0.578 32.278 31.700 0.000 0.000 0.828 294 R N 1.814 122.316 120.500 0.003 0.000 2.810 294 R HA 0.704 5.044 4.340 -0.000 0.000 0.266 294 R C -1.566 174.738 176.300 0.007 0.000 1.061 294 R CA -1.298 54.804 56.100 0.004 0.000 0.943 294 R CB 0.637 30.939 30.300 0.003 0.000 1.237 294 R HN 0.265 nan 8.270 nan 0.000 0.459 295 L N 0.833 122.061 121.223 0.008 0.000 2.287 295 L HA 0.763 5.103 4.340 -0.000 0.000 0.287 295 L C -1.282 175.594 176.870 0.010 0.000 1.022 295 L CA -0.192 54.654 54.840 0.011 0.000 0.814 295 L CB 1.585 43.651 42.059 0.011 0.000 1.217 295 L HN 0.893 nan 8.230 nan 0.000 0.420 296 A N 3.455 126.282 122.820 0.011 0.000 2.408 296 A HA 0.614 4.934 4.320 -0.000 0.000 0.295 296 A C 0.565 178.157 177.584 0.013 0.000 1.040 296 A CA -0.069 51.974 52.037 0.010 0.000 0.707 296 A CB 1.135 20.139 19.000 0.006 0.000 1.235 296 A HN 1.620 nan 8.150 nan 0.000 0.418 297 G N 1.059 109.867 108.800 0.013 0.000 2.283 297 G HA2 0.137 4.097 3.960 -0.000 0.000 0.280 297 G HA3 0.137 4.097 3.960 -0.000 0.000 0.280 297 G C 1.679 176.595 174.900 0.027 0.000 1.029 297 G CA 1.467 46.577 45.100 0.017 0.000 0.840 297 G HN 2.882 nan 8.290 nan 0.000 0.505 298 G N -2.067 106.749 108.800 0.026 0.000 2.179 298 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 298 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 298 G C 0.100 175.027 174.900 0.045 0.000 0.977 298 G CA 1.099 46.220 45.100 0.036 0.000 0.641 298 G HN 0.933 nan 8.290 nan 0.000 0.533 299 E N 0.471 120.696 120.200 0.040 0.000 2.299 299 E HA 0.379 4.729 4.350 -0.000 0.000 0.265 299 E C -0.877 175.741 176.600 0.031 0.000 0.911 299 E CA -0.727 55.701 56.400 0.046 0.000 0.789 299 E CB 1.063 30.794 29.700 0.053 0.000 1.246 299 E HN 0.257 nan 8.360 nan 0.000 0.427 300 D N 1.373 121.792 120.400 0.032 0.000 2.308 300 D HA 0.250 4.890 4.640 -0.000 0.000 0.251 300 D C 0.009 176.318 176.300 0.016 0.000 1.127 300 D CA 0.049 54.061 54.000 0.021 0.000 0.876 300 D CB 1.314 42.126 40.800 0.019 0.000 1.176 300 D HN 0.167 nan 8.370 nan 0.000 0.446 301 V N -1.371 118.548 119.914 0.009 0.000 3.130 301 V HA 0.981 5.101 4.120 -0.000 0.000 0.310 301 V C -0.940 175.154 176.094 0.000 0.000 1.158 301 V CA -0.820 61.481 62.300 0.002 0.000 1.029 301 V CB 1.791 33.614 31.823 -0.000 0.000 1.057 301 V HN 0.683 nan 8.190 nan 0.000 0.436 302 A N 1.138 123.955 122.820 -0.003 0.000 2.599 302 A HA 0.804 5.124 4.320 -0.000 0.000 0.290 302 A C -1.826 175.754 177.584 -0.006 0.000 1.101 302 A CA -0.663 51.371 52.037 -0.004 0.000 0.674 302 A CB 1.694 20.691 19.000 -0.005 0.000 1.277 302 A HN 0.897 nan 8.150 nan 0.000 0.419 303 D N 0.632 121.029 120.400 -0.005 0.000 2.181 303 D HA 0.611 5.251 4.640 -0.000 0.000 0.248 303 D C -0.844 175.452 176.300 -0.007 0.000 1.020 303 D CA 0.080 54.077 54.000 -0.005 0.000 0.891 303 D CB 1.655 42.453 40.800 -0.003 0.000 1.187 303 D HN 0.418 nan 8.370 nan 0.000 0.443 304 L N 1.329 122.548 121.223 -0.007 0.000 2.349 304 L HA 0.460 4.800 4.340 -0.000 0.000 0.278 304 L C 0.209 177.075 176.870 -0.007 0.000 0.996 304 L CA -0.796 54.039 54.840 -0.009 0.000 0.825 304 L CB 2.077 44.129 42.059 -0.013 0.000 1.243 304 L HN 0.060 nan 8.230 nan 0.000 0.412 305 R N 2.752 123.247 120.500 -0.008 0.000 2.255 305 R HA 0.664 5.004 4.340 -0.000 0.000 0.326 305 R C -1.404 174.890 176.300 -0.009 0.000 0.986 305 R CA -0.456 55.640 56.100 -0.007 0.000 0.847 305 R CB 1.375 31.672 30.300 -0.006 0.000 1.111 305 R HN 0.453 nan 8.270 nan 0.000 0.452 306 V N 5.278 125.186 119.914 -0.009 0.000 2.448 306 V HA 0.545 4.665 4.120 -0.000 0.000 0.295 306 V C -0.072 176.014 176.094 -0.013 0.000 1.025 306 V CA -0.817 61.475 62.300 -0.012 0.000 0.859 306 V CB 1.692 33.508 31.823 -0.013 0.000 0.988 306 V HN 0.795 nan 8.190 nan 0.000 0.431 307 R N 1.848 122.339 120.500 -0.015 0.000 2.807 307 R HA 0.565 4.905 4.340 -0.000 0.000 0.276 307 R C -0.266 176.022 176.300 -0.019 0.000 0.979 307 R CA -0.710 55.381 56.100 -0.016 0.000 0.928 307 R CB 2.121 32.413 30.300 -0.013 0.000 1.191 307 R HN 0.737 nan 8.270 nan 0.000 0.471 308 S N 1.244 116.930 115.700 -0.022 0.000 2.642 308 S HA 0.019 4.489 4.470 -0.000 0.000 0.308 308 S C -0.346 174.242 174.600 -0.019 0.000 1.255 308 S CA 0.328 58.512 58.200 -0.026 0.000 1.057 308 S CB 0.217 63.401 63.200 -0.028 0.000 0.785 308 S HN 0.491 nan 8.310 nan 0.000 0.500 309 S N 1.143 116.832 115.700 -0.019 0.000 2.588 309 S HA 0.646 5.116 4.470 -0.000 0.000 0.275 309 S C -0.256 174.343 174.600 -0.003 0.000 1.130 309 S CA -1.155 57.039 58.200 -0.010 0.000 0.855 309 S CB 1.989 65.183 63.200 -0.009 0.000 1.116 309 S HN 0.784 nan 8.310 nan 0.000 0.472 310 T N 0.568 115.125 114.554 0.005 0.000 2.767 310 T HA 0.708 5.058 4.350 -0.000 0.000 0.288 310 T C -0.367 174.345 174.700 0.020 0.000 0.963 310 T CA -0.663 61.446 62.100 0.016 0.000 1.019 310 T CB -0.129 68.749 68.868 0.016 0.000 0.923 310 T HN 0.411 nan 8.240 nan 0.000 0.468 311 L N 2.374 123.617 121.223 0.033 0.000 2.334 311 L HA 0.649 4.989 4.340 -0.000 0.000 0.272 311 L C 0.345 177.235 176.870 0.034 0.000 1.020 311 L CA -1.145 53.714 54.840 0.032 0.000 0.812 311 L CB 1.722 43.806 42.059 0.041 0.000 1.264 311 L HN 0.580 nan 8.230 nan 0.000 0.439 312 K N 0.371 120.786 120.400 0.024 0.000 2.371 312 K HA 0.491 4.811 4.320 -0.000 0.000 0.251 312 K C -0.181 176.431 176.600 0.019 0.000 0.934 312 K CA -0.744 55.556 56.287 0.022 0.000 0.798 312 K CB 2.185 34.694 32.500 0.016 0.000 1.204 312 K HN 0.758 nan 8.250 nan 0.000 0.427 313 G N 0.922 109.733 108.800 0.019 0.000 2.491 313 G HA2 0.351 4.311 3.960 -0.000 0.000 0.238 313 G HA3 0.351 4.311 3.960 -0.000 0.000 0.238 313 G C -0.115 174.794 174.900 0.015 0.000 1.277 313 G CA -0.235 44.876 45.100 0.017 0.000 0.851 313 G HN 0.384 nan 8.290 nan 0.000 0.573 314 V N -1.339 118.585 119.914 0.017 0.000 3.182 314 V HA 0.834 4.954 4.120 -0.000 0.000 0.308 314 V C -0.084 176.022 176.094 0.021 0.000 1.240 314 V CA -1.068 61.241 62.300 0.015 0.000 1.063 314 V CB 1.639 33.469 31.823 0.011 0.000 1.076 314 V HN 0.668 nan 8.190 nan 0.000 0.446 315 T N 1.647 116.213 114.554 0.020 0.000 2.767 315 T HA 0.627 4.977 4.350 -0.000 0.000 0.288 315 T C -0.408 174.311 174.700 0.032 0.000 0.963 315 T CA -0.197 61.919 62.100 0.025 0.000 1.019 315 T CB 1.155 70.034 68.868 0.019 0.000 0.923 315 T HN 0.759 nan 8.240 nan 0.000 0.468 316 V N 7.514 127.458 119.914 0.051 0.000 2.293 316 V HA 0.320 4.440 4.120 -0.000 0.000 0.275 316 V C -1.903 174.237 176.094 0.076 0.000 1.021 316 V CA -2.069 60.272 62.300 0.069 0.000 0.815 316 V CB 0.817 32.710 31.823 0.117 0.000 1.025 316 V HN 0.726 nan 8.190 nan 0.000 0.448 317 P HA 0.068 nan 4.420 nan 0.000 0.269 317 P C 0.893 178.227 177.300 0.056 0.000 1.209 317 P CA -0.006 63.120 63.100 0.043 0.000 0.776 317 P CB 1.021 32.738 31.700 0.028 0.000 0.876 318 E N 2.968 123.190 120.200 0.036 0.000 2.160 318 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 318 E C 0.744 177.367 176.600 0.038 0.000 0.991 318 E CA 1.865 58.282 56.400 0.030 0.000 0.810 318 E CB -1.014 28.689 29.700 0.006 0.000 0.742 318 E HN 0.536 nan 8.360 nan 0.000 0.466 319 D N 0.849 121.267 120.400 0.030 0.000 2.371 319 D HA -0.172 4.468 4.640 -0.000 0.000 0.221 319 D C 1.909 178.230 176.300 0.035 0.000 0.986 319 D CA 0.542 54.558 54.000 0.026 0.000 0.899 319 D CB -0.501 40.308 40.800 0.015 0.000 0.902 319 D HN 0.273 nan 8.370 nan 0.000 0.530 320 R N -0.066 120.465 120.500 0.052 0.000 2.280 320 R HA 0.268 4.608 4.340 -0.000 0.000 0.195 320 R C 1.966 178.318 176.300 0.086 0.000 0.935 320 R CA 0.617 56.747 56.100 0.050 0.000 1.033 320 R CB 0.023 30.347 30.300 0.040 0.000 0.964 320 R HN 0.115 nan 8.270 nan 0.000 0.489 321 A N 2.232 125.138 122.820 0.143 0.000 1.892 321 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 321 A C -0.550 177.135 177.584 0.168 0.000 1.188 321 A CA 1.248 53.429 52.037 0.240 0.000 0.631 321 A CB -1.395 17.704 19.000 0.167 0.000 0.822 321 A HN 0.303 nan 8.150 nan 0.000 0.447 322 P HA -0.147 nan 4.420 nan 0.000 0.216 322 P C 1.626 178.952 177.300 0.043 0.000 1.150 322 P CA 1.897 65.033 63.100 0.060 0.000 0.837 322 P CB -0.197 31.523 31.700 0.033 0.000 0.786 323 S N -1.251 114.466 115.700 0.028 0.000 2.607 323 S HA 0.018 4.487 4.470 -0.000 0.000 0.224 323 S C 1.157 175.744 174.600 -0.021 0.000 0.969 323 S CA 0.465 58.666 58.200 0.001 0.000 0.927 323 S CB -1.073 62.122 63.200 -0.009 0.000 0.772 323 S HN 0.274 nan 8.310 nan 0.000 0.533 324 M N -2.263 117.326 119.600 -0.019 0.000 3.836 324 M HA 0.455 4.935 4.480 -0.000 0.000 0.525 324 M C 0.576 176.836 176.300 -0.067 0.000 1.740 324 M CA -0.406 54.830 55.300 -0.105 0.000 0.680 324 M CB -0.421 32.033 32.600 -0.243 0.000 1.532 324 M HN 0.057 nan 8.290 nan 0.000 0.574 325 I N 2.832 123.468 120.570 0.109 0.000 2.248 325 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 325 I C 1.542 177.796 176.117 0.229 0.000 1.107 325 I CA 2.228 63.685 61.300 0.261 0.000 1.373 325 I CB -0.042 38.058 38.000 0.167 0.000 1.055 325 I HN 0.398 nan 8.210 nan 0.000 0.418 326 D N -0.137 120.327 120.400 0.107 0.000 2.347 326 D HA -0.072 4.568 4.640 -0.000 0.000 0.213 326 D C 1.475 177.796 176.300 0.035 0.000 0.985 326 D CA 0.495 54.550 54.000 0.092 0.000 0.879 326 D CB 0.016 40.866 40.800 0.083 0.000 0.919 326 D HN 0.417 nan 8.370 nan 0.000 0.526 327 E N -0.713 119.451 120.200 -0.060 0.000 2.463 327 E HA 0.060 4.410 4.350 -0.000 0.000 0.193 327 E C 0.978 177.472 176.600 -0.178 0.000 1.041 327 E CA -0.149 56.152 56.400 -0.165 0.000 0.879 327 E CB -0.140 29.415 29.700 -0.242 0.000 0.997 327 E HN 0.352 nan 8.360 nan 0.000 0.478 328 Y N 0.164 120.453 120.300 -0.018 0.000 2.224 328 Y HA -0.099 4.451 4.550 -0.000 0.000 0.289 328 Y C -0.722 175.175 175.900 -0.005 0.000 1.146 328 Y CA 1.116 59.211 58.100 -0.008 0.000 1.182 328 Y CB -1.023 37.441 38.460 0.007 0.000 0.983 328 Y HN 0.211 nan 8.280 nan 0.000 0.524 329 P HA -0.191 nan 4.420 nan 0.000 0.215 329 P C 1.628 178.928 177.300 -0.001 0.000 1.157 329 P CA 1.379 64.532 63.100 0.089 0.000 0.863 329 P CB 0.008 31.781 31.700 0.122 0.000 0.787 330 I N -1.152 119.406 120.570 -0.020 0.000 2.546 330 I HA -0.134 4.035 4.170 -0.000 0.000 0.255 330 I C 1.838 177.912 176.117 -0.073 0.000 1.163 330 I CA 0.972 62.232 61.300 -0.065 0.000 1.457 330 I CB -0.774 37.099 38.000 -0.212 0.000 1.092 330 I HN -0.196 nan 8.210 nan 0.000 0.434 331 L N 0.857 122.031 121.223 -0.081 0.000 2.093 331 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 331 L C 2.459 179.328 176.870 -0.002 0.000 1.085 331 L CA 2.114 56.917 54.840 -0.062 0.000 0.755 331 L CB -1.176 40.815 42.059 -0.114 0.000 0.904 331 L HN 0.219 nan 8.230 nan 0.000 0.435 332 A N -1.018 121.815 122.820 0.022 0.000 1.933 332 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 332 A C 2.269 179.854 177.584 0.003 0.000 1.175 332 A CA 1.991 54.049 52.037 0.034 0.000 0.628 332 A CB -1.084 17.953 19.000 0.061 0.000 0.814 332 A HN 0.317 nan 8.150 nan 0.000 0.444 333 V N -0.302 119.591 119.914 -0.034 0.000 2.358 333 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 333 V C 3.051 179.238 176.094 0.156 0.000 1.047 333 V CA 1.848 64.149 62.300 0.000 0.000 1.035 333 V CB -1.133 30.645 31.823 -0.073 0.000 0.658 333 V HN 0.617 nan 8.190 nan 0.000 0.452 334 A N 0.054 122.940 122.820 0.111 0.000 1.902 334 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 334 A C 2.398 180.074 177.584 0.154 0.000 1.181 334 A CA 2.023 54.151 52.037 0.152 0.000 0.623 334 A CB -0.757 18.274 19.000 0.052 0.000 0.818 334 A HN 0.579 nan 8.150 nan 0.000 0.443 335 A N -0.254 122.611 122.820 0.074 0.000 2.019 335 A HA 0.203 4.523 4.320 -0.000 0.000 0.219 335 A C 2.318 179.902 177.584 -0.001 0.000 1.164 335 A CA 1.706 53.768 52.037 0.041 0.000 0.644 335 A CB -0.799 18.217 19.000 0.027 0.000 0.805 335 A HN 1.099 nan 8.150 nan 0.000 0.449 336 A N -1.884 120.900 122.820 -0.061 0.000 2.172 336 A HA 0.177 4.497 4.320 -0.000 0.000 0.216 336 A C 1.239 178.515 177.584 -0.513 0.000 1.154 336 A CA 0.934 52.797 52.037 -0.291 0.000 0.701 336 A CB -0.580 18.173 19.000 -0.412 0.000 0.789 336 A HN 0.509 nan 8.150 nan 0.000 0.465 337 F N -1.275 118.681 119.950 0.011 0.000 2.729 337 F HA 0.495 5.022 4.527 -0.000 0.000 0.315 337 F C 1.065 176.869 175.800 0.007 0.000 1.102 337 F CA -0.073 57.934 58.000 0.010 0.000 1.204 337 F CB 0.269 39.274 39.000 0.008 0.000 1.052 337 F HN 0.172 nan 8.300 nan 0.000 0.551 338 A N 0.223 123.112 122.820 0.116 0.000 2.279 338 A HA 0.527 4.847 4.320 -0.000 0.000 0.303 338 A C -0.205 177.406 177.584 0.046 0.000 1.108 338 A CA -0.401 51.683 52.037 0.077 0.000 0.830 338 A CB 0.489 19.522 19.000 0.055 0.000 1.106 338 A HN 0.138 nan 8.150 nan 0.000 0.493 339 E N 0.490 120.714 120.200 0.039 0.000 2.257 339 E HA 0.469 4.819 4.350 -0.000 0.000 0.278 339 E C 0.728 177.339 176.600 0.018 0.000 1.049 339 E CA 1.444 57.860 56.400 0.027 0.000 0.876 339 E CB -0.091 29.625 29.700 0.026 0.000 1.035 339 E HN 1.728 nan 8.360 nan 0.000 0.419 340 G N 2.809 111.616 108.800 0.012 0.000 2.587 340 G HA2 0.111 4.070 3.960 -0.000 0.000 0.212 340 G HA3 0.111 4.070 3.960 -0.000 0.000 0.212 340 G C -0.538 174.366 174.900 0.006 0.000 1.327 340 G CA -0.461 44.644 45.100 0.008 0.000 0.898 340 G HN 1.006 nan 8.290 nan 0.000 0.551 341 A N -0.734 122.090 122.820 0.007 0.000 2.312 341 A HA 0.852 5.172 4.320 -0.000 0.000 0.326 341 A C 0.279 177.871 177.584 0.013 0.000 1.172 341 A CA 0.707 52.749 52.037 0.008 0.000 0.821 341 A CB 1.258 20.262 19.000 0.007 0.000 1.166 341 A HN 1.510 nan 8.150 nan 0.000 0.493 342 T N 1.740 116.304 114.554 0.017 0.000 2.807 342 T HA 0.551 4.901 4.350 -0.000 0.000 0.279 342 T C -0.604 174.114 174.700 0.030 0.000 0.993 342 T CA -0.283 61.832 62.100 0.025 0.000 0.970 342 T CB 1.181 70.067 68.868 0.030 0.000 0.950 342 T HN 0.481 nan 8.240 nan 0.000 0.441 343 V N 4.493 124.427 119.914 0.033 0.000 2.540 343 V HA 0.590 4.710 4.120 -0.000 0.000 0.302 343 V C -0.455 175.669 176.094 0.051 0.000 1.035 343 V CA -0.831 61.489 62.300 0.033 0.000 0.873 343 V CB 1.596 33.431 31.823 0.021 0.000 0.992 343 V HN 0.869 nan 8.190 nan 0.000 0.428 344 M N 6.042 125.673 119.600 0.053 0.000 2.197 344 M HA 0.528 5.008 4.480 -0.000 0.000 0.301 344 M C -0.518 175.776 176.300 -0.010 0.000 0.987 344 M CA -0.390 54.953 55.300 0.073 0.000 0.921 344 M CB 1.974 34.666 32.600 0.154 0.000 1.569 344 M HN 0.847 nan 8.290 nan 0.000 0.431 345 N N 0.962 119.652 118.700 -0.016 0.000 2.653 345 N HA 0.695 5.435 4.740 -0.000 0.000 0.294 345 N C 0.415 175.878 175.510 -0.078 0.000 1.305 345 N CA -0.137 52.883 53.050 -0.050 0.000 0.827 345 N CB 1.229 39.704 38.487 -0.021 0.000 1.415 345 N HN 0.788 nan 8.380 nan 0.000 0.546 346 G N -0.771 107.985 108.800 -0.073 0.000 2.221 346 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.265 346 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.265 346 G C 0.152 174.973 174.900 -0.132 0.000 1.041 346 G CA 0.541 45.597 45.100 -0.072 0.000 0.807 346 G HN 0.518 nan 8.290 nan 0.000 0.502 347 L N 0.414 121.531 121.223 -0.177 0.000 2.653 347 L HA 0.164 4.504 4.340 -0.000 0.000 0.231 347 L C 2.463 179.247 176.870 -0.143 0.000 1.153 347 L CA 0.466 55.159 54.840 -0.246 0.000 0.933 347 L CB -0.165 41.704 42.059 -0.317 0.000 1.175 347 L HN 0.501 nan 8.230 nan 0.000 0.473 348 E N 0.527 120.672 120.200 -0.091 0.000 2.130 348 E HA -0.275 4.075 4.350 -0.000 0.000 0.196 348 E C 1.083 177.654 176.600 -0.048 0.000 0.998 348 E CA 1.358 57.723 56.400 -0.060 0.000 0.806 348 E CB -0.141 29.534 29.700 -0.042 0.000 0.738 348 E HN 0.479 nan 8.360 nan 0.000 0.459 349 E N 0.864 121.037 120.200 -0.045 0.000 2.268 349 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 349 E C 2.352 178.943 176.600 -0.015 0.000 0.995 349 E CA 0.349 56.736 56.400 -0.022 0.000 0.836 349 E CB -0.182 29.515 29.700 -0.005 0.000 0.763 349 E HN 0.424 nan 8.360 nan 0.000 0.491 350 L N 0.219 121.420 121.223 -0.037 0.000 2.191 350 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 350 L C 2.275 179.141 176.870 -0.008 0.000 1.103 350 L CA 0.927 55.757 54.840 -0.016 0.000 0.769 350 L CB -0.301 41.728 42.059 -0.049 0.000 0.908 350 L HN 0.017 nan 8.230 nan 0.000 0.438 351 R N -0.075 120.412 120.500 -0.022 0.000 2.316 351 R HA -0.034 4.305 4.340 -0.000 0.000 0.202 351 R C 1.276 177.568 176.300 -0.014 0.000 1.029 351 R CA 0.815 56.901 56.100 -0.022 0.000 1.018 351 R CB 0.035 30.317 30.300 -0.030 0.000 0.888 351 R HN 0.370 nan 8.270 nan 0.000 0.471 352 V N -2.321 117.591 119.914 -0.004 0.000 3.085 352 V HA 0.277 4.397 4.120 -0.000 0.000 0.345 352 V C 0.255 176.359 176.094 0.016 0.000 1.397 352 V CA -0.520 61.781 62.300 0.002 0.000 1.165 352 V CB -0.030 31.792 31.823 -0.002 0.000 1.153 352 V HN -0.106 nan 8.190 nan 0.000 0.495 353 K N 0.678 121.095 120.400 0.028 0.000 2.761 353 K HA 0.403 4.723 4.320 -0.000 0.000 0.286 353 K C 1.181 177.818 176.600 0.061 0.000 1.019 353 K CA -0.277 56.041 56.287 0.051 0.000 1.070 353 K CB 0.602 33.143 32.500 0.069 0.000 1.387 353 K HN 0.096 nan 8.250 nan 0.000 0.509 354 E N 0.697 120.951 120.200 0.091 0.000 2.169 354 E HA -0.173 4.177 4.350 -0.000 0.000 0.202 354 E C 0.508 177.163 176.600 0.091 0.000 1.016 354 E CA 1.607 58.070 56.400 0.104 0.000 0.817 354 E CB 0.031 29.825 29.700 0.158 0.000 0.736 354 E HN 0.548 nan 8.360 nan 0.000 0.462 355 S N -1.100 114.649 115.700 0.083 0.000 2.697 355 S HA 0.272 4.742 4.470 -0.000 0.000 0.289 355 S C -0.986 173.622 174.600 0.014 0.000 1.149 355 S CA -1.113 57.119 58.200 0.054 0.000 0.850 355 S CB 1.588 64.848 63.200 0.100 0.000 1.151 355 S HN -0.035 nan 8.310 nan 0.000 0.491 356 D N 0.194 120.565 120.400 -0.047 0.000 2.359 356 D HA 0.218 4.858 4.640 -0.000 0.000 0.250 356 D C 0.974 177.265 176.300 -0.015 0.000 1.264 356 D CA -0.146 53.829 54.000 -0.042 0.000 0.911 356 D CB 0.372 41.123 40.800 -0.082 0.000 1.056 356 D HN 0.533 nan 8.370 nan 0.000 0.499 357 R N 2.427 122.942 120.500 0.025 0.000 2.148 357 R HA -0.119 4.221 4.340 -0.000 0.000 0.227 357 R C 1.749 178.085 176.300 0.060 0.000 1.103 357 R CA 0.472 56.610 56.100 0.064 0.000 0.983 357 R CB -0.002 30.349 30.300 0.085 0.000 0.874 357 R HN 0.368 nan 8.270 nan 0.000 0.451 358 L N 0.262 121.497 121.223 0.019 0.000 2.027 358 L HA -0.095 4.245 4.340 -0.000 0.000 0.206 358 L C 2.244 179.126 176.870 0.020 0.000 1.074 358 L CA 1.860 56.705 54.840 0.009 0.000 0.745 358 L CB -0.800 41.242 42.059 -0.029 0.000 0.898 358 L HN -0.001 nan 8.230 nan 0.000 0.433 359 S N -0.889 114.809 115.700 -0.003 0.000 2.368 359 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 359 S C 2.136 176.745 174.600 0.016 0.000 1.029 359 S CA 1.102 59.295 58.200 -0.011 0.000 0.988 359 S CB -0.392 62.774 63.200 -0.056 0.000 0.838 359 S HN 0.615 nan 8.310 nan 0.000 0.462 360 A N 0.735 123.573 122.820 0.031 0.000 1.933 360 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 360 A C 2.326 179.997 177.584 0.146 0.000 1.175 360 A CA 1.669 53.766 52.037 0.100 0.000 0.628 360 A CB -0.964 18.129 19.000 0.154 0.000 0.814 360 A HN 0.444 nan 8.150 nan 0.000 0.444 361 V N -0.239 119.793 119.914 0.198 0.000 2.307 361 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 361 V C 3.067 179.313 176.094 0.254 0.000 1.045 361 V CA 1.916 64.409 62.300 0.321 0.000 1.024 361 V CB -1.115 30.847 31.823 0.232 0.000 0.651 361 V HN 0.609 nan 8.190 nan 0.000 0.449 362 A N 0.327 123.227 122.820 0.134 0.000 1.902 362 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 362 A C 2.029 179.651 177.584 0.063 0.000 1.181 362 A CA 2.081 54.172 52.037 0.090 0.000 0.623 362 A CB -0.656 18.373 19.000 0.048 0.000 0.818 362 A HN 0.594 nan 8.150 nan 0.000 0.443 363 N N 0.179 118.901 118.700 0.036 0.000 2.188 363 N HA -0.078 4.662 4.740 -0.000 0.000 0.184 363 N C 1.812 177.281 175.510 -0.068 0.000 1.018 363 N CA 1.405 54.452 53.050 -0.005 0.000 0.858 363 N CB -0.794 37.693 38.487 -0.000 0.000 0.989 363 N HN 0.463 nan 8.380 nan 0.000 0.426 364 G N 1.020 109.728 108.800 -0.154 0.000 2.408 364 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 364 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 364 G C 1.649 176.465 174.900 -0.140 0.000 1.150 364 G CA 0.298 45.088 45.100 -0.517 0.000 0.776 364 G HN 0.216 nan 8.290 nan 0.000 0.542 365 L N -0.153 121.184 121.223 0.190 0.000 2.056 365 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 365 L C 2.971 179.892 176.870 0.085 0.000 1.078 365 L CA 1.256 56.235 54.840 0.232 0.000 0.749 365 L CB -0.277 41.896 42.059 0.190 0.000 0.901 365 L HN 0.162 nan 8.230 nan 0.000 0.433 366 K N -0.181 120.244 120.400 0.042 0.000 2.057 366 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 366 K C 2.002 178.603 176.600 0.001 0.000 1.049 366 K CA 1.112 57.408 56.287 0.015 0.000 0.931 366 K CB -0.288 32.217 32.500 0.008 0.000 0.714 366 K HN 0.069 nan 8.250 nan 0.000 0.440 367 L N 1.670 122.881 121.223 -0.021 0.000 2.191 367 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 367 L C 0.683 177.547 176.870 -0.009 0.000 1.103 367 L CA 1.663 56.484 54.840 -0.033 0.000 0.769 367 L CB -0.148 41.863 42.059 -0.080 0.000 0.908 367 L HN 0.152 nan 8.230 nan 0.000 0.438 368 N N -0.069 118.641 118.700 0.017 0.000 2.376 368 N HA 0.199 4.939 4.740 -0.000 0.000 0.249 368 N C 1.008 176.539 175.510 0.033 0.000 1.140 368 N CA 0.747 53.826 53.050 0.049 0.000 0.870 368 N CB 0.463 39.021 38.487 0.119 0.000 1.124 368 N HN 0.428 nan 8.380 nan 0.000 0.505 369 G N 0.111 108.920 108.800 0.014 0.000 2.155 369 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 369 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 369 G C 0.131 175.020 174.900 -0.018 0.000 0.983 369 G CA 0.170 45.270 45.100 -0.000 0.000 0.676 369 G HN 0.223 nan 8.290 nan 0.000 0.528 370 V N 1.049 120.953 119.914 -0.016 0.000 2.546 370 V HA 0.420 4.540 4.120 -0.000 0.000 0.284 370 V C 0.496 176.578 176.094 -0.020 0.000 1.050 370 V CA -0.289 61.987 62.300 -0.039 0.000 0.981 370 V CB 1.749 33.551 31.823 -0.035 0.000 0.990 370 V HN 0.388 nan 8.190 nan 0.000 0.474 371 D N 4.689 125.072 120.400 -0.028 0.000 2.336 371 D HA 0.396 5.036 4.640 -0.000 0.000 0.249 371 D C -0.321 175.974 176.300 -0.009 0.000 1.213 371 D CA -0.094 53.896 54.000 -0.015 0.000 0.870 371 D CB 0.558 41.347 40.800 -0.018 0.000 1.076 371 D HN 0.814 nan 8.370 nan 0.000 0.483 372 C N 2.134 121.434 119.300 0.001 0.000 3.173 372 C HA 0.733 5.193 4.460 -0.000 0.000 0.310 372 C C -1.470 173.525 174.990 0.009 0.000 1.306 372 C CA -0.946 58.077 59.018 0.008 0.000 1.426 372 C CB 1.975 29.727 27.740 0.020 0.000 1.800 372 C HN 0.512 nan 8.230 nan 0.000 0.470 373 D N 1.499 121.905 120.400 0.009 0.000 2.549 373 D HA 0.344 4.984 4.640 -0.000 0.000 0.251 373 D C -1.005 175.298 176.300 0.005 0.000 1.153 373 D CA 0.190 54.193 54.000 0.005 0.000 0.861 373 D CB 2.081 42.882 40.800 0.002 0.000 1.207 373 D HN 0.798 nan 8.370 nan 0.000 0.543 374 E N 1.497 121.699 120.200 0.004 0.000 2.167 374 E HA 0.514 4.864 4.350 -0.000 0.000 0.284 374 E C -0.235 176.361 176.600 -0.007 0.000 1.016 374 E CA -0.610 55.790 56.400 -0.000 0.000 0.817 374 E CB 1.110 30.811 29.700 0.003 0.000 1.080 374 E HN 0.518 nan 8.360 nan 0.000 0.397 375 G N 3.032 111.824 108.800 -0.014 0.000 2.601 375 G HA2 0.085 4.045 3.960 -0.000 0.000 0.317 375 G HA3 0.085 4.045 3.960 -0.000 0.000 0.317 375 G C 0.360 175.246 174.900 -0.023 0.000 1.246 375 G CA -0.357 44.733 45.100 -0.017 0.000 1.012 375 G HN 0.695 nan 8.290 nan 0.000 0.494 376 E N -0.913 119.273 120.200 -0.023 0.000 2.085 376 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 376 E C 1.617 178.195 176.600 -0.037 0.000 0.994 376 E CA 1.777 58.161 56.400 -0.027 0.000 0.801 376 E CB -0.010 29.676 29.700 -0.024 0.000 0.743 376 E HN 0.518 nan 8.360 nan 0.000 0.453 377 T N -2.060 112.469 114.554 -0.042 0.000 3.516 377 T HA 0.262 4.612 4.350 -0.000 0.000 0.300 377 T C -0.256 174.399 174.700 -0.074 0.000 0.995 377 T CA -0.279 61.785 62.100 -0.060 0.000 0.982 377 T CB 0.341 69.177 68.868 -0.054 0.000 1.199 377 T HN 0.090 nan 8.240 nan 0.000 0.481 378 S N 0.690 116.353 115.700 -0.062 0.000 2.625 378 S HA 0.861 5.331 4.470 -0.000 0.000 0.271 378 S C -1.891 172.686 174.600 -0.040 0.000 1.161 378 S CA -0.965 57.200 58.200 -0.058 0.000 0.820 378 S CB 2.241 65.420 63.200 -0.035 0.000 1.137 378 S HN 0.494 nan 8.310 nan 0.000 0.470 379 L N 0.945 122.154 121.223 -0.025 0.000 2.482 379 L HA 0.818 5.158 4.340 -0.000 0.000 0.263 379 L C -1.843 175.036 176.870 0.015 0.000 0.957 379 L CA -0.373 54.467 54.840 0.000 0.000 0.836 379 L CB 2.085 44.152 42.059 0.013 0.000 1.324 379 L HN 0.764 nan 8.230 nan 0.000 0.406 380 V N 4.966 124.889 119.914 0.015 0.000 2.540 380 V HA 0.730 4.850 4.120 -0.000 0.000 0.302 380 V C -0.747 175.356 176.094 0.016 0.000 1.035 380 V CA -0.651 61.658 62.300 0.016 0.000 0.873 380 V CB 1.987 33.816 31.823 0.009 0.000 0.992 380 V HN 0.529 nan 8.190 nan 0.000 0.428 381 V N 5.374 125.298 119.914 0.016 0.000 2.588 381 V HA 0.575 4.695 4.120 -0.000 0.000 0.304 381 V C -0.240 175.852 176.094 -0.004 0.000 1.042 381 V CA -0.818 61.486 62.300 0.006 0.000 0.877 381 V CB 2.202 34.030 31.823 0.009 0.000 0.996 381 V HN 0.812 nan 8.190 nan 0.000 0.425 382 R N 2.196 122.687 120.500 -0.016 0.000 2.387 382 R HA 0.657 4.997 4.340 -0.000 0.000 0.314 382 R C 0.281 176.555 176.300 -0.043 0.000 0.958 382 R CA -0.378 55.710 56.100 -0.019 0.000 0.846 382 R CB 2.119 32.411 30.300 -0.014 0.000 1.147 382 R HN 0.920 nan 8.270 nan 0.000 0.447 383 G N 1.052 109.828 108.800 -0.041 0.000 2.522 383 G HA2 0.386 4.346 3.960 -0.000 0.000 0.304 383 G HA3 0.386 4.346 3.960 -0.000 0.000 0.304 383 G C -0.825 174.040 174.900 -0.059 0.000 1.210 383 G CA -0.452 44.603 45.100 -0.075 0.000 0.960 383 G HN 0.380 nan 8.290 nan 0.000 0.497 384 R N 0.780 121.228 120.500 -0.087 0.000 2.487 384 R HA 0.419 4.759 4.340 -0.000 0.000 0.288 384 R C -2.070 174.265 176.300 0.059 0.000 1.394 384 R CA -1.506 54.578 56.100 -0.028 0.000 1.155 384 R CB 1.575 31.842 30.300 -0.055 0.000 1.156 384 R HN 0.207 nan 8.270 nan 0.000 0.553 385 P HA -0.194 nan 4.420 nan 0.000 0.217 385 P C 0.149 177.561 177.300 0.186 0.000 1.151 385 P CA 1.472 64.667 63.100 0.159 0.000 0.849 385 P CB 0.226 31.981 31.700 0.092 0.000 0.787 386 D N -2.272 118.208 120.400 0.133 0.000 2.349 386 D HA 0.068 4.708 4.640 -0.000 0.000 0.224 386 D C 1.462 177.861 176.300 0.165 0.000 1.029 386 D CA 0.740 54.810 54.000 0.118 0.000 0.879 386 D CB -1.137 39.706 40.800 0.072 0.000 0.906 386 D HN 0.218 nan 8.370 nan 0.000 0.528 387 G N 0.235 109.188 108.800 0.255 0.000 2.189 387 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.267 387 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.267 387 G C 0.193 175.192 174.900 0.165 0.000 0.975 387 G CA 0.364 45.662 45.100 0.330 0.000 0.644 387 G HN 0.486 nan 8.290 nan 0.000 0.537 388 K N 0.046 120.506 120.400 0.100 0.000 2.448 388 K HA 0.405 4.725 4.320 -0.000 0.000 0.278 388 K C 1.525 178.151 176.600 0.043 0.000 1.009 388 K CA 0.737 57.062 56.287 0.064 0.000 0.995 388 K CB 0.483 33.011 32.500 0.046 0.000 0.917 388 K HN 1.222 nan 8.250 nan 0.000 0.481 389 G N 1.937 110.761 108.800 0.040 0.000 2.184 389 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.264 389 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.264 389 G C 0.078 174.993 174.900 0.024 0.000 0.975 389 G CA 0.005 45.121 45.100 0.026 0.000 0.642 389 G HN 0.431 nan 8.290 nan 0.000 0.536 390 L N -0.097 121.149 121.223 0.039 0.000 2.375 390 L HA 0.704 5.044 4.340 -0.000 0.000 0.268 390 L C 1.241 178.159 176.870 0.080 0.000 1.058 390 L CA -0.040 54.822 54.840 0.036 0.000 0.803 390 L CB 1.312 43.370 42.059 -0.002 0.000 1.212 390 L HN 1.136 nan 8.230 nan 0.000 0.451 391 G N 1.528 110.380 108.800 0.088 0.000 2.627 391 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.214 391 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.214 391 G C -1.035 173.903 174.900 0.064 0.000 1.331 391 G CA -0.631 44.530 45.100 0.102 0.000 0.891 391 G HN 0.708 nan 8.290 nan 0.000 0.539 392 N N 0.415 119.148 118.700 0.055 0.000 2.577 392 N HA 0.507 5.247 4.740 -0.000 0.000 0.275 392 N C 1.064 176.591 175.510 0.028 0.000 1.091 392 N CA 0.491 53.560 53.050 0.032 0.000 0.843 392 N CB 1.445 39.943 38.487 0.019 0.000 1.295 392 N HN 1.196 nan 8.380 nan 0.000 0.530 393 A N 2.127 124.962 122.820 0.025 0.000 2.019 393 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 393 A C 1.935 179.528 177.584 0.015 0.000 1.164 393 A CA 1.972 54.022 52.037 0.022 0.000 0.644 393 A CB -0.319 18.693 19.000 0.020 0.000 0.805 393 A HN 0.701 nan 8.150 nan 0.000 0.449 394 S N -1.691 114.015 115.700 0.011 0.000 2.561 394 S HA 0.322 4.792 4.470 -0.000 0.000 0.225 394 S C 1.454 176.056 174.600 0.004 0.000 0.977 394 S CA 1.180 59.384 58.200 0.006 0.000 0.926 394 S CB -0.443 62.759 63.200 0.002 0.000 0.769 394 S HN 1.949 nan 8.310 nan 0.000 0.533 395 G N 0.675 109.479 108.800 0.007 0.000 2.143 395 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.249 395 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.249 395 G C 0.245 175.143 174.900 -0.004 0.000 0.981 395 G CA -0.026 45.077 45.100 0.005 0.000 0.665 395 G HN 1.351 nan 8.290 nan 0.000 0.528 396 A N -0.060 122.755 122.820 -0.008 0.000 2.511 396 A HA 0.704 5.024 4.320 -0.000 0.000 0.242 396 A C 0.964 178.528 177.584 -0.032 0.000 1.069 396 A CA 1.135 53.160 52.037 -0.021 0.000 0.763 396 A CB 0.405 19.391 19.000 -0.024 0.000 1.001 396 A HN 2.113 nan 8.150 nan 0.000 0.498 397 A N 2.656 125.449 122.820 -0.045 0.000 2.309 397 A HA 0.551 4.871 4.320 -0.000 0.000 0.298 397 A C 0.138 177.659 177.584 -0.106 0.000 1.165 397 A CA -0.458 51.542 52.037 -0.062 0.000 0.821 397 A CB 0.373 19.340 19.000 -0.054 0.000 1.102 397 A HN 1.019 nan 8.150 nan 0.000 0.500 398 V N 2.044 121.870 119.914 -0.146 0.000 2.572 398 V HA 0.318 4.438 4.120 -0.000 0.000 0.291 398 V C 1.058 177.034 176.094 -0.198 0.000 1.039 398 V CA 0.308 62.456 62.300 -0.253 0.000 1.055 398 V CB 0.873 32.429 31.823 -0.446 0.000 0.969 398 V HN 1.039 nan 8.190 nan 0.000 0.482 399 A N 3.770 126.469 122.820 -0.201 0.000 2.396 399 A HA 0.420 4.740 4.320 -0.000 0.000 0.279 399 A C 1.277 178.740 177.584 -0.201 0.000 1.165 399 A CA 0.259 52.142 52.037 -0.257 0.000 0.824 399 A CB 0.198 18.991 19.000 -0.346 0.000 1.100 399 A HN 1.064 nan 8.150 nan 0.000 0.516 400 T N -0.694 113.762 114.554 -0.165 0.000 3.067 400 T HA 0.011 4.361 4.350 -0.000 0.000 0.257 400 T C 0.690 175.428 174.700 0.063 0.000 1.105 400 T CA 0.824 62.910 62.100 -0.022 0.000 1.104 400 T CB -0.438 68.425 68.868 -0.008 0.000 0.925 400 T HN 0.816 nan 8.240 nan 0.000 0.498 401 H N 1.728 120.803 119.070 0.008 0.000 2.626 401 H HA -0.135 4.421 4.556 -0.000 0.000 0.317 401 H C 0.714 176.061 175.328 0.032 0.000 1.140 401 H CA 0.936 56.994 56.048 0.017 0.000 1.134 401 H CB -2.179 27.595 29.762 0.019 0.000 1.486 401 H HN 0.537 nan 8.280 nan 0.000 0.417 402 L N -1.336 119.935 121.223 0.081 0.000 4.179 402 L HA -0.252 4.088 4.340 -0.000 0.000 0.418 402 L C 0.464 177.401 176.870 0.111 0.000 1.168 402 L CA 1.324 56.210 54.840 0.077 0.000 0.972 402 L CB -0.716 41.386 42.059 0.071 0.000 2.005 402 L HN 0.348 nan 8.230 nan 0.000 0.935 403 D N -0.015 120.464 120.400 0.132 0.000 2.427 403 D HA 0.141 4.781 4.640 -0.000 0.000 0.226 403 D C 1.546 177.936 176.300 0.149 0.000 1.076 403 D CA -0.280 53.822 54.000 0.170 0.000 0.849 403 D CB 0.688 41.579 40.800 0.152 0.000 1.052 403 D HN 0.304 nan 8.370 nan 0.000 0.515 404 H N 4.334 123.407 119.070 0.005 0.000 2.456 404 H HA -0.032 4.524 4.556 -0.000 0.000 0.296 404 H C 0.910 176.173 175.328 -0.109 0.000 1.079 404 H CA 0.896 56.904 56.048 -0.066 0.000 1.322 404 H CB 0.081 29.803 29.762 -0.066 0.000 1.388 404 H HN 0.368 nan 8.280 nan 0.000 0.538 405 R N -0.101 120.090 120.500 -0.515 0.000 2.193 405 R HA 0.046 4.386 4.340 -0.000 0.000 0.213 405 R C 2.163 178.426 176.300 -0.061 0.000 1.055 405 R CA 0.606 56.516 56.100 -0.317 0.000 0.995 405 R CB 0.245 30.484 30.300 -0.101 0.000 0.893 405 R HN 0.262 nan 8.270 nan 0.000 0.459 406 I N 0.784 121.373 120.570 0.031 0.000 2.286 406 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 406 I C 2.505 178.737 176.117 0.192 0.000 1.104 406 I CA 1.077 62.495 61.300 0.198 0.000 1.397 406 I CB -1.299 36.830 38.000 0.215 0.000 1.072 406 I HN 0.077 nan 8.210 nan 0.000 0.417 407 A N 0.726 123.560 122.820 0.024 0.000 1.877 407 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 407 A C 2.392 179.875 177.584 -0.168 0.000 1.186 407 A CA 1.738 53.752 52.037 -0.038 0.000 0.620 407 A CB -0.584 18.355 19.000 -0.101 0.000 0.822 407 A HN 0.338 nan 8.150 nan 0.000 0.443 408 M N -0.488 118.833 119.600 -0.465 0.000 2.175 408 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 408 M C 2.392 178.501 176.300 -0.319 0.000 1.063 408 M CA 1.554 56.366 55.300 -0.813 0.000 1.119 408 M CB -0.297 31.257 32.600 -1.744 0.000 1.377 408 M HN 0.421 nan 8.290 nan 0.000 0.415 409 S N 0.133 115.778 115.700 -0.091 0.000 2.368 409 S HA -0.067 4.403 4.470 -0.000 0.000 0.224 409 S C 1.540 176.052 174.600 -0.148 0.000 1.029 409 S CA 1.248 59.476 58.200 0.047 0.000 0.988 409 S CB -0.327 62.849 63.200 -0.040 0.000 0.838 409 S HN 0.349 nan 8.310 nan 0.000 0.462 410 F N 1.263 121.257 119.950 0.074 0.000 2.456 410 F HA 0.175 4.702 4.527 -0.000 0.000 0.298 410 F C 1.831 177.683 175.800 0.085 0.000 1.104 410 F CA 0.410 58.460 58.000 0.082 0.000 1.435 410 F CB -0.334 38.697 39.000 0.052 0.000 1.078 410 F HN 0.110 nan 8.300 nan 0.000 0.546 411 L N -1.000 120.333 121.223 0.183 0.000 2.141 411 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 411 L C 2.284 179.255 176.870 0.167 0.000 1.094 411 L CA 0.509 55.453 54.840 0.173 0.000 0.763 411 L CB -0.596 41.581 42.059 0.195 0.000 0.908 411 L HN -0.032 nan 8.230 nan 0.000 0.437 412 V N -0.240 119.779 119.914 0.174 0.000 2.358 412 V HA -0.346 3.774 4.120 -0.000 0.000 0.246 412 V C 2.438 178.588 176.094 0.092 0.000 1.047 412 V CA 1.938 64.325 62.300 0.145 0.000 1.035 412 V CB -0.347 31.593 31.823 0.195 0.000 0.658 412 V HN 0.469 nan 8.190 nan 0.000 0.452 413 M N 0.673 120.341 119.600 0.114 0.000 2.106 413 M HA -0.153 4.327 4.480 -0.000 0.000 0.259 413 M C 1.951 178.365 176.300 0.190 0.000 1.068 413 M CA 2.350 57.767 55.300 0.195 0.000 1.100 413 M CB -0.587 32.150 32.600 0.229 0.000 1.351 413 M HN 0.392 nan 8.290 nan 0.000 0.404 414 G N 0.212 109.109 108.800 0.161 0.000 2.498 414 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.219 414 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.219 414 G C 1.280 176.222 174.900 0.070 0.000 1.119 414 G CA 0.458 45.635 45.100 0.128 0.000 0.766 414 G HN 0.502 nan 8.290 nan 0.000 0.552 415 L N 0.114 121.358 121.223 0.035 0.000 2.478 415 L HA 0.076 4.416 4.340 -0.000 0.000 0.223 415 L C 2.055 178.889 176.870 -0.060 0.000 1.140 415 L CA 0.033 54.866 54.840 -0.012 0.000 0.842 415 L CB 0.165 42.208 42.059 -0.026 0.000 0.953 415 L HN 0.128 nan 8.230 nan 0.000 0.452 416 V N -2.801 117.058 119.914 -0.092 0.000 3.219 416 V HA 0.072 4.192 4.120 -0.000 0.000 0.240 416 V C 1.260 177.329 176.094 -0.041 0.000 1.222 416 V CA 0.357 62.516 62.300 -0.234 0.000 1.181 416 V CB 0.403 31.763 31.823 -0.771 0.000 0.941 416 V HN 0.392 nan 8.190 nan 0.000 0.471 417 S N 0.668 116.474 115.700 0.178 0.000 2.579 417 S HA 0.073 4.543 4.470 -0.000 0.000 0.275 417 S C 1.082 175.775 174.600 0.156 0.000 1.345 417 S CA 0.340 58.719 58.200 0.299 0.000 1.031 417 S CB 1.276 64.662 63.200 0.309 0.000 0.892 417 S HN 0.534 nan 8.310 nan 0.000 0.529 418 E N 1.868 122.154 120.200 0.142 0.000 2.085 418 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 418 E C -0.048 176.595 176.600 0.071 0.000 0.994 418 E CA 0.978 57.431 56.400 0.088 0.000 0.801 418 E CB 0.023 29.768 29.700 0.075 0.000 0.743 418 E HN 0.691 nan 8.360 nan 0.000 0.453 419 N N 1.128 119.875 118.700 0.078 0.000 2.456 419 N HA 0.275 5.015 4.740 -0.000 0.000 0.296 419 N C -2.611 172.943 175.510 0.075 0.000 1.102 419 N CA -1.663 51.425 53.050 0.063 0.000 0.924 419 N CB 1.355 39.874 38.487 0.054 0.000 1.186 419 N HN -0.030 nan 8.380 nan 0.000 0.492 420 P HA 0.058 nan 4.420 nan 0.000 0.269 420 P C -0.524 176.823 177.300 0.078 0.000 1.217 420 P CA -0.122 63.017 63.100 0.064 0.000 0.783 420 P CB 0.680 32.408 31.700 0.045 0.000 0.898 421 V N 2.053 122.024 119.914 0.095 0.000 2.540 421 V HA 0.395 4.515 4.120 -0.000 0.000 0.302 421 V C 0.030 176.177 176.094 0.089 0.000 1.035 421 V CA -0.215 62.153 62.300 0.114 0.000 0.873 421 V CB 1.955 33.893 31.823 0.190 0.000 0.992 421 V HN 0.489 nan 8.190 nan 0.000 0.428 422 T N 4.231 118.819 114.554 0.057 0.000 2.829 422 T HA 0.629 4.979 4.350 -0.000 0.000 0.280 422 T C -0.378 174.330 174.700 0.013 0.000 0.999 422 T CA -0.437 61.683 62.100 0.032 0.000 0.983 422 T CB 1.678 70.552 68.868 0.010 0.000 0.968 422 T HN 0.692 nan 8.240 nan 0.000 0.446 423 V N 0.688 120.611 119.914 0.015 0.000 2.667 423 V HA 0.542 4.662 4.120 -0.000 0.000 0.308 423 V C 0.833 176.910 176.094 -0.029 0.000 1.048 423 V CA -0.927 61.366 62.300 -0.011 0.000 0.928 423 V CB 1.693 33.527 31.823 0.020 0.000 1.004 423 V HN 0.826 nan 8.190 nan 0.000 0.444 424 D N 0.789 121.155 120.400 -0.055 0.000 2.312 424 D HA 0.035 4.675 4.640 -0.000 0.000 0.211 424 D C 0.160 176.434 176.300 -0.042 0.000 0.964 424 D CA 0.961 54.928 54.000 -0.055 0.000 0.877 424 D CB 0.130 40.880 40.800 -0.084 0.000 0.924 424 D HN 0.760 nan 8.370 nan 0.000 0.515 425 D N -1.663 118.715 120.400 -0.036 0.000 2.937 425 D HA 0.523 5.163 4.640 -0.000 0.000 0.215 425 D C -0.650 175.635 176.300 -0.025 0.000 1.274 425 D CA -0.516 53.468 54.000 -0.027 0.000 0.869 425 D CB 1.678 42.461 40.800 -0.028 0.000 1.675 425 D HN -0.092 nan 8.370 nan 0.000 0.538 426 A N 2.134 124.942 122.820 -0.021 0.000 2.431 426 A HA 0.152 4.472 4.320 -0.000 0.000 0.239 426 A C 1.653 179.221 177.584 -0.026 0.000 1.230 426 A CA 0.833 52.850 52.037 -0.033 0.000 0.928 426 A CB -0.248 18.742 19.000 -0.016 0.000 1.006 426 A HN 0.608 nan 8.150 nan 0.000 0.520 427 T N -2.373 112.173 114.554 -0.013 0.000 2.929 427 T HA -0.109 4.241 4.350 -0.000 0.000 0.271 427 T C 1.574 176.271 174.700 -0.005 0.000 1.085 427 T CA 1.306 63.402 62.100 -0.006 0.000 1.125 427 T CB -0.395 68.471 68.868 -0.002 0.000 0.874 427 T HN 0.179 nan 8.240 nan 0.000 0.494 428 M N 0.437 120.036 119.600 -0.001 0.000 2.595 428 M HA 0.373 4.853 4.480 -0.000 0.000 0.248 428 M C 1.990 178.295 176.300 0.009 0.000 1.119 428 M CA -0.035 55.268 55.300 0.005 0.000 1.079 428 M CB -1.016 31.605 32.600 0.035 0.000 1.472 428 M HN 0.348 nan 8.290 nan 0.000 0.501 429 I N 0.524 121.092 120.570 -0.004 0.000 2.335 429 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 429 I C 2.264 178.398 176.117 0.028 0.000 1.129 429 I CA 1.110 62.399 61.300 -0.017 0.000 1.402 429 I CB -0.484 37.403 38.000 -0.188 0.000 1.069 429 I HN 0.217 nan 8.210 nan 0.000 0.424 430 A N 0.724 123.552 122.820 0.012 0.000 2.248 430 A HA -0.144 4.176 4.320 -0.000 0.000 0.210 430 A C 2.302 179.886 177.584 0.001 0.000 1.174 430 A CA 1.667 53.723 52.037 0.033 0.000 0.750 430 A CB -1.002 18.015 19.000 0.028 0.000 0.780 430 A HN 0.565 nan 8.150 nan 0.000 0.478 431 T N -2.446 112.062 114.554 -0.076 0.000 2.867 431 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 431 T C 1.610 176.237 174.700 -0.122 0.000 1.057 431 T CA 1.934 63.951 62.100 -0.139 0.000 1.136 431 T CB -0.332 68.365 68.868 -0.284 0.000 0.874 431 T HN 0.863 nan 8.240 nan 0.000 0.466 432 S N -1.085 114.578 115.700 -0.062 0.000 2.744 432 S HA 0.370 4.840 4.470 -0.000 0.000 0.265 432 S C 0.070 174.796 174.600 0.211 0.000 1.065 432 S CA -0.889 57.345 58.200 0.057 0.000 1.191 432 S CB -0.141 63.149 63.200 0.149 0.000 1.150 432 S HN 0.537 nan 8.310 nan 0.000 0.646 433 F N 2.854 122.845 119.950 0.068 0.000 2.706 433 F HA 0.369 4.896 4.527 -0.000 0.000 0.365 433 F C -2.390 173.473 175.800 0.105 0.000 1.469 433 F CA -2.024 56.039 58.000 0.105 0.000 1.110 433 F CB 1.577 40.664 39.000 0.146 0.000 1.893 433 F HN -0.007 nan 8.300 nan 0.000 0.573 434 P HA -0.176 nan 4.420 nan 0.000 0.221 434 P C 0.601 177.998 177.300 0.162 0.000 1.145 434 P CA 1.398 64.601 63.100 0.171 0.000 0.795 434 P CB 0.288 32.063 31.700 0.125 0.000 0.775 435 E N -1.386 118.982 120.200 0.280 0.000 2.482 435 E HA -0.033 4.317 4.350 -0.000 0.000 0.196 435 E C 1.516 178.116 176.600 -0.001 0.000 1.047 435 E CA 0.051 56.576 56.400 0.207 0.000 0.869 435 E CB -1.007 28.896 29.700 0.339 0.000 0.836 435 E HN 0.186 nan 8.360 nan 0.000 0.520 436 F N 1.278 120.887 119.950 -0.569 0.000 2.045 436 F HA -0.366 4.161 4.527 -0.000 0.000 0.297 436 F C 1.872 177.420 175.800 -0.419 0.000 1.114 436 F CA 1.719 59.123 58.000 -0.994 0.000 1.207 436 F CB -0.069 38.277 39.000 -1.090 0.000 0.964 436 F HN 0.028 nan 8.300 nan 0.000 0.486 437 M N 0.164 119.665 119.600 -0.166 0.000 2.086 437 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 437 M C 1.925 178.105 176.300 -0.200 0.000 1.067 437 M CA 1.721 56.910 55.300 -0.186 0.000 1.116 437 M CB -1.450 31.140 32.600 -0.017 0.000 1.348 437 M HN 0.180 nan 8.290 nan 0.000 0.407 438 D N 0.353 120.683 120.400 -0.116 0.000 2.117 438 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 438 D C 2.176 178.417 176.300 -0.099 0.000 0.982 438 D CA 0.840 54.793 54.000 -0.078 0.000 0.828 438 D CB -0.342 40.445 40.800 -0.022 0.000 0.967 438 D HN 0.313 nan 8.370 nan 0.000 0.464 439 L N 0.151 121.303 121.223 -0.117 0.000 2.017 439 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 439 L C 2.219 178.995 176.870 -0.156 0.000 1.073 439 L CA 1.087 55.879 54.840 -0.079 0.000 0.745 439 L CB -0.073 42.003 42.059 0.028 0.000 0.894 439 L HN -0.070 nan 8.230 nan 0.000 0.432 440 M N -0.434 118.966 119.600 -0.334 0.000 2.132 440 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 440 M C 2.519 178.698 176.300 -0.202 0.000 1.065 440 M CA 1.722 56.822 55.300 -0.333 0.000 1.122 440 M CB -1.585 30.653 32.600 -0.605 0.000 1.365 440 M HN 0.440 nan 8.290 nan 0.000 0.411 441 A N 0.434 123.145 122.820 -0.182 0.000 1.933 441 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 441 A C 2.439 179.977 177.584 -0.077 0.000 1.175 441 A CA 1.946 53.917 52.037 -0.111 0.000 0.628 441 A CB -1.449 17.497 19.000 -0.090 0.000 0.814 441 A HN 0.521 nan 8.150 nan 0.000 0.444 442 G N -0.382 108.375 108.800 -0.071 0.000 2.448 442 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.219 442 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.219 442 G C 1.396 176.272 174.900 -0.041 0.000 1.127 442 G CA 0.939 46.012 45.100 -0.045 0.000 0.766 442 G HN 0.458 nan 8.290 nan 0.000 0.552 443 L N -0.146 121.045 121.223 -0.053 0.000 2.492 443 L HA 0.249 4.589 4.340 -0.000 0.000 0.223 443 L C 2.053 178.897 176.870 -0.044 0.000 1.132 443 L CA 0.627 55.441 54.840 -0.043 0.000 0.850 443 L CB 0.124 42.156 42.059 -0.046 0.000 0.966 443 L HN 0.407 nan 8.230 nan 0.000 0.454 444 G N -0.617 108.152 108.800 -0.051 0.000 2.192 444 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.193 444 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.193 444 G C 0.331 175.201 174.900 -0.050 0.000 0.999 444 G CA -0.203 44.871 45.100 -0.044 0.000 0.659 444 G HN 0.405 nan 8.290 nan 0.000 0.503 445 A N 0.249 123.028 122.820 -0.070 0.000 2.407 445 A HA 0.635 4.955 4.320 -0.000 0.000 0.248 445 A C 0.447 177.995 177.584 -0.060 0.000 1.082 445 A CA 0.398 52.393 52.037 -0.071 0.000 0.785 445 A CB 0.328 19.263 19.000 -0.109 0.000 1.020 445 A HN 0.360 nan 8.150 nan 0.000 0.489 446 K N 1.945 122.321 120.400 -0.039 0.000 2.347 446 K HA 0.531 4.851 4.320 -0.000 0.000 0.262 446 K C -1.366 175.225 176.600 -0.015 0.000 1.052 446 K CA 0.303 56.575 56.287 -0.026 0.000 0.946 446 K CB 0.972 33.463 32.500 -0.014 0.000 1.220 446 K HN 0.594 nan 8.250 nan 0.000 0.450 447 I N 2.962 123.521 120.570 -0.019 0.000 2.447 447 I HA 0.178 4.348 4.170 -0.000 0.000 0.287 447 I C -0.333 175.786 176.117 0.004 0.000 1.023 447 I CA -0.879 60.422 61.300 0.002 0.000 1.083 447 I CB 1.801 39.804 38.000 0.004 0.000 1.245 447 I HN 0.357 nan 8.210 nan 0.000 0.434 448 E N 6.123 126.330 120.200 0.013 0.000 2.134 448 E HA 0.359 4.709 4.350 -0.000 0.000 0.278 448 E C -0.917 175.691 176.600 0.014 0.000 0.959 448 E CA -0.942 55.463 56.400 0.010 0.000 0.783 448 E CB 2.669 32.375 29.700 0.009 0.000 1.095 448 E HN 0.283 nan 8.360 nan 0.000 0.399 449 L N 2.952 124.182 121.223 0.011 0.000 2.276 449 L HA 0.154 4.494 4.340 -0.000 0.000 0.286 449 L C 0.521 177.396 176.870 0.007 0.000 1.061 449 L CA -0.131 54.716 54.840 0.012 0.000 0.807 449 L CB 0.891 42.957 42.059 0.012 0.000 1.177 449 L HN 0.549 nan 8.230 nan 0.000 0.429 450 S N 0.000 115.704 115.700 0.006 0.000 2.498 450 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 450 S CA 0.000 58.202 58.200 0.003 0.000 1.107 450 S CB 0.000 63.200 63.200 0.001 0.000 0.593 450 S HN 0.000 nan 8.310 nan 0.000 0.517