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 2y8k_1_A DATA FIRST_RESID 35 DATA SEQUENCE ASSPQRGRPR LNAARTTFVG DNGQPLRGPY TSTEWTAAAP YDQIARVKEL DATA SEQUENCE GFNAVHLYAE CFDPRYPAPG SKAPGYAVNE IDKIVERTRE LGLYLVITIG DATA SEQUENCE NGANNGNHNA QWARDFWKFY APRYAKETHV LYEIHNEPVA WGPPYSSSTA DATA SEQUENCE NPPGAVDMEI DVYRIIRTYA PETPVLLFSY AVFGGKGGAA EALKDIRAFN DATA SEQUENCE KAVFGNENAV WTNEAVAFHG YAGWQETTIA VEELLKAGYP CFMTEYAGGX DATA SEQUENCE XGSGMGGLDV ELTYELERLG VSWLTFQYIP PTGVSDDVTK PEYFSALVEN DATA SEQUENCE SGLSWTPDYG NWPAARGVYG NGGLARETAT WINNFLTGTT RIEAEDFDWG DATA SEQUENCE GNGVSYYDTD SVNVGGQYRP DEGVDIEKTS DTGGGYNVGW ISEGEWLEYT DATA SEQUENCE IRVRNPGYYN LSLRVAGISG SRVQVSFGNQ DKTGVWELPA TGGFQTWTTA DATA SEQUENCE TRQVFLGAGL QKLRINALSG GFNLNWIELS PIL 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 35 A HA 0.000 nan 4.320 nan 0.000 0.244 35 A C 0.000 177.595 177.584 0.018 0.000 1.274 35 A CA 0.000 52.048 52.037 0.019 0.000 0.836 35 A CB 0.000 19.012 19.000 0.019 0.000 0.831 36 S N -0.065 115.643 115.700 0.014 0.000 2.478 36 S HA 0.176 4.365 4.470 -0.468 0.000 0.222 36 S C 1.121 175.726 174.600 0.008 0.000 1.008 36 S CA 0.985 59.193 58.200 0.012 0.000 0.928 36 S CB -0.233 62.972 63.200 0.010 0.000 0.781 36 S HN 1.879 nan 8.310 nan 0.000 0.518 37 S N 3.310 119.012 115.700 0.004 0.000 2.560 37 S HA 0.235 4.424 4.470 -0.468 0.000 0.284 37 S C -1.044 173.550 174.600 -0.011 0.000 1.327 37 S CA -1.059 57.138 58.200 -0.006 0.000 1.055 37 S CB 0.723 63.918 63.200 -0.008 0.000 0.868 37 S HN 0.299 nan 8.310 nan 0.000 0.506 38 P HA -0.033 nan 4.420 nan 0.000 0.233 38 P C 0.171 177.425 177.300 -0.076 0.000 1.167 38 P CA 0.256 63.336 63.100 -0.033 0.000 0.770 38 P CB -0.049 31.626 31.700 -0.041 0.000 0.837 39 Q N 1.369 121.109 119.800 -0.101 0.000 2.274 39 Q HA 0.007 4.066 4.340 -0.468 0.000 0.280 39 Q C 0.002 175.936 176.000 -0.110 0.000 1.047 39 Q CA -0.244 55.459 55.803 -0.166 0.000 0.907 39 Q CB 0.519 29.185 28.738 -0.119 0.000 1.171 39 Q HN -0.028 nan 8.270 nan 0.000 0.381 40 R N 2.683 123.075 120.500 -0.180 0.000 2.590 40 R HA 0.184 4.243 4.340 -0.468 0.000 0.274 40 R C 0.320 176.628 176.300 0.014 0.000 1.061 40 R CA 0.249 56.255 56.100 -0.158 0.000 1.081 40 R CB 0.219 30.144 30.300 -0.626 0.000 0.984 40 R HN 0.805 nan 8.270 nan 0.000 0.448 41 G N 1.902 110.764 108.800 0.105 0.000 2.594 41 G HA2 0.065 3.744 3.960 -0.468 0.000 0.243 41 G HA3 0.065 3.744 3.960 -0.468 0.000 0.243 41 G C -0.078 174.978 174.900 0.260 0.000 1.229 41 G CA -0.611 44.582 45.100 0.155 0.000 0.843 41 G HN 0.393 nan 8.290 nan 0.000 0.578 42 R N 1.375 121.987 120.500 0.188 0.000 2.585 42 R HA 0.051 4.110 4.340 -0.468 0.000 0.275 42 R C -2.123 174.283 176.300 0.178 0.000 1.018 42 R CA -0.767 55.439 56.100 0.176 0.000 1.072 42 R CB 0.251 30.608 30.300 0.095 0.000 0.953 42 R HN 0.349 nan 8.270 nan 0.000 0.419 43 P HA 0.126 nan 4.420 nan 0.000 0.271 43 P C -0.725 176.719 177.300 0.239 0.000 1.218 43 P CA 0.054 63.172 63.100 0.030 0.000 0.780 43 P CB 0.829 32.400 31.700 -0.214 0.000 0.901 44 R N 1.071 121.743 120.500 0.286 0.000 2.808 44 R HA 0.515 4.574 4.340 -0.468 0.000 0.272 44 R C -0.294 176.066 176.300 0.101 0.000 0.995 44 R CA -1.266 55.000 56.100 0.275 0.000 0.917 44 R CB 1.359 31.741 30.300 0.137 0.000 1.217 44 R HN 0.379 nan 8.270 nan 0.000 0.471 45 L N 2.931 124.061 121.223 -0.156 0.000 2.525 45 L HA -0.003 4.056 4.340 -0.468 0.000 0.278 45 L C 0.529 177.327 176.870 -0.121 0.000 1.218 45 L CA -0.178 54.478 54.840 -0.306 0.000 0.878 45 L CB -0.156 41.719 42.059 -0.307 0.000 1.127 45 L HN 0.699 nan 8.230 nan 0.000 0.492 46 N N 2.584 121.218 118.700 -0.110 0.000 2.354 46 N HA 0.097 4.556 4.740 -0.468 0.000 0.246 46 N C 0.657 176.132 175.510 -0.059 0.000 1.285 46 N CA 0.071 53.085 53.050 -0.061 0.000 0.925 46 N CB 0.621 39.078 38.487 -0.050 0.000 1.174 46 N HN 0.613 nan 8.380 nan 0.000 0.478 47 A N 0.174 122.970 122.820 -0.041 0.000 1.940 47 A HA -0.024 4.015 4.320 -0.468 0.000 0.219 47 A C 2.071 179.626 177.584 -0.049 0.000 1.176 47 A CA 2.063 54.076 52.037 -0.040 0.000 0.631 47 A CB -1.333 17.650 19.000 -0.028 0.000 0.814 47 A HN 0.890 nan 8.150 nan 0.000 0.446 48 A N -1.236 121.555 122.820 -0.048 0.000 2.168 48 A HA 0.112 4.151 4.320 -0.468 0.000 0.215 48 A C 1.196 178.740 177.584 -0.066 0.000 1.152 48 A CA 0.720 52.727 52.037 -0.051 0.000 0.716 48 A CB -0.399 18.576 19.000 -0.040 0.000 0.794 48 A HN 0.541 nan 8.150 nan 0.000 0.465 49 R N -1.160 119.294 120.500 -0.077 0.000 3.416 49 R HA -0.173 3.886 4.340 -0.468 0.000 0.263 49 R C 0.929 177.185 176.300 -0.074 0.000 1.053 49 R CA 0.902 56.946 56.100 -0.094 0.000 0.705 49 R CB -2.772 27.461 30.300 -0.111 0.000 1.124 49 R HN 0.792 nan 8.270 nan 0.000 0.444 50 T N -5.542 108.978 114.554 -0.056 0.000 3.040 50 T HA 0.106 4.176 4.350 -0.468 0.000 0.252 50 T C 0.883 175.582 174.700 -0.001 0.000 1.064 50 T CA 1.010 63.097 62.100 -0.021 0.000 1.110 50 T CB 0.967 69.826 68.868 -0.014 0.000 0.921 50 T HN 0.270 nan 8.240 nan 0.000 0.480 51 T N -0.451 114.072 114.554 -0.051 0.000 2.677 51 T HA 0.511 4.580 4.350 -0.468 0.000 0.305 51 T C -2.140 172.478 174.700 -0.137 0.000 1.569 51 T CA -0.885 61.188 62.100 -0.044 0.000 0.984 51 T CB 0.563 69.391 68.868 -0.066 0.000 1.629 51 T HN 0.086 nan 8.240 nan 0.000 0.494 52 F N 2.252 122.219 119.950 0.029 0.000 2.420 52 F HA 0.528 4.773 4.527 -0.470 0.000 0.352 52 F C 0.715 176.448 175.800 -0.111 0.000 1.108 52 F CA -0.097 57.913 58.000 0.018 0.000 1.162 52 F CB 1.121 40.214 39.000 0.154 0.000 1.118 52 F HN 0.373 nan 8.300 nan 0.000 0.510 53 V N 1.164 121.122 119.914 0.074 0.000 2.919 53 V HA 0.962 4.801 4.120 -0.468 0.000 0.316 53 V C 0.246 176.312 176.094 -0.047 0.000 1.077 53 V CA -0.736 61.550 62.300 -0.024 0.000 0.977 53 V CB 1.080 32.889 31.823 -0.023 0.000 1.039 53 V HN 0.784 nan 8.190 nan 0.000 0.441 54 G N 1.113 109.857 108.800 -0.093 0.000 2.508 54 G HA2 0.325 4.004 3.960 -0.468 0.000 0.278 54 G HA3 0.325 4.004 3.960 -0.468 0.000 0.278 54 G C 0.230 175.200 174.900 0.118 0.000 1.389 54 G CA 0.301 45.374 45.100 -0.044 0.000 1.050 54 G HN 1.075 nan 8.290 nan 0.000 0.522 55 D N -1.475 119.073 120.400 0.246 0.000 2.338 55 D HA -0.045 4.314 4.640 -0.468 0.000 0.239 55 D C 0.868 177.234 176.300 0.109 0.000 1.095 55 D CA 0.118 54.220 54.000 0.170 0.000 0.888 55 D CB -0.174 40.740 40.800 0.190 0.000 0.899 55 D HN 0.326 nan 8.370 nan 0.000 0.525 56 N N -1.068 117.690 118.700 0.096 0.000 2.241 56 N HA 0.170 4.629 4.740 -0.468 0.000 0.238 56 N C 1.390 176.925 175.510 0.041 0.000 1.244 56 N CA -0.008 53.075 53.050 0.055 0.000 0.880 56 N CB 0.204 38.713 38.487 0.037 0.000 1.179 56 N HN 0.145 nan 8.380 nan 0.000 0.513 57 G N -0.147 108.678 108.800 0.042 0.000 2.184 57 G HA2 -0.289 3.390 3.960 -0.468 0.000 0.264 57 G HA3 -0.289 3.390 3.960 -0.468 0.000 0.264 57 G C -0.322 174.586 174.900 0.012 0.000 0.975 57 G CA 0.348 45.463 45.100 0.024 0.000 0.642 57 G HN 0.425 nan 8.290 nan 0.000 0.536 58 Q N 0.462 120.271 119.800 0.016 0.000 2.214 58 Q HA 0.515 4.574 4.340 -0.468 0.000 0.251 58 Q C -2.339 173.638 176.000 -0.040 0.000 0.936 58 Q CA -2.174 53.632 55.803 0.004 0.000 0.894 58 Q CB 0.957 29.711 28.738 0.027 0.000 1.252 58 Q HN 0.186 nan 8.270 nan 0.000 0.448 59 P HA 0.003 nan 4.420 nan 0.000 0.269 59 P C -0.613 176.563 177.300 -0.208 0.000 1.217 59 P CA -0.262 62.739 63.100 -0.166 0.000 0.783 59 P CB 0.420 32.009 31.700 -0.184 0.000 0.898 60 L N 3.597 124.649 121.223 -0.285 0.000 2.331 60 L HA 0.305 4.364 4.340 -0.468 0.000 0.278 60 L C 0.875 177.476 176.870 -0.447 0.000 1.106 60 L CA 0.777 55.475 54.840 -0.237 0.000 0.824 60 L CB -0.057 41.938 42.059 -0.108 0.000 1.142 60 L HN 0.277 nan 8.230 nan 0.000 0.443 61 R N 2.325 122.568 120.500 -0.428 0.000 2.538 61 R HA 0.834 4.893 4.340 -0.468 0.000 0.292 61 R C -0.460 175.668 176.300 -0.286 0.000 1.008 61 R CA -0.825 54.757 56.100 -0.864 0.000 0.896 61 R CB 2.221 31.792 30.300 -1.214 0.000 1.187 61 R HN 0.792 nan 8.270 nan 0.000 0.440 62 G N 2.582 111.188 108.800 -0.324 0.000 2.576 62 G HA2 0.528 4.207 3.960 -0.468 0.000 0.290 62 G HA3 0.528 4.207 3.960 -0.468 0.000 0.290 62 G C -3.218 171.352 174.900 -0.550 0.000 1.442 62 G CA -0.838 43.964 45.100 -0.498 0.000 0.792 62 G HN 0.287 nan 8.290 nan 0.000 0.491 63 P HA 0.550 nan 4.420 nan 0.000 0.336 63 P C -1.450 175.860 177.300 0.015 0.000 1.288 63 P CA -0.587 62.299 63.100 -0.356 0.000 0.766 63 P CB 1.107 32.448 31.700 -0.599 0.000 1.461 64 Y N -3.378 116.923 120.300 0.002 0.000 2.633 64 Y HA 0.868 5.142 4.550 -0.461 0.000 0.339 64 Y C -0.587 175.346 175.900 0.055 0.000 1.045 64 Y CA -0.919 57.251 58.100 0.117 0.000 1.098 64 Y CB 1.096 39.771 38.460 0.357 0.000 1.296 64 Y HN 0.454 nan 8.280 nan 0.000 0.494 65 T N 0.405 115.038 114.554 0.131 0.000 2.787 65 T HA 0.631 4.700 4.350 -0.468 0.000 0.297 65 T C -1.731 173.062 174.700 0.154 0.000 1.221 65 T CA -0.484 61.610 62.100 -0.011 0.000 1.006 65 T CB 1.414 70.228 68.868 -0.090 0.000 1.328 65 T HN 0.969 nan 8.240 nan 0.000 0.509 66 S N -0.110 115.574 115.700 -0.026 0.000 2.548 66 S HA 0.574 4.763 4.470 -0.468 0.000 0.276 66 S C 0.221 174.689 174.600 -0.221 0.000 1.129 66 S CA -0.016 58.126 58.200 -0.098 0.000 0.931 66 S CB 1.431 64.479 63.200 -0.252 0.000 1.068 66 S HN 0.955 nan 8.310 nan 0.000 0.480 67 T N 0.905 115.352 114.554 -0.179 0.000 3.182 67 T HA 0.361 4.430 4.350 -0.468 0.000 0.277 67 T C 0.775 175.396 174.700 -0.131 0.000 1.013 67 T CA -0.284 61.717 62.100 -0.165 0.000 0.900 67 T CB -0.017 68.786 68.868 -0.108 0.000 1.098 67 T HN 0.652 nan 8.240 nan 0.000 0.543 68 E N 1.022 121.096 120.200 -0.210 0.000 2.106 68 E HA -0.038 4.031 4.350 -0.468 0.000 0.192 68 E C 0.889 177.678 176.600 0.315 0.000 0.984 68 E CA 1.464 57.896 56.400 0.053 0.000 0.806 68 E CB -0.052 29.670 29.700 0.037 0.000 0.750 68 E HN 0.979 nan 8.360 nan 0.000 0.458 69 W N -0.349 121.027 121.300 0.127 0.000 1.479 69 W HA 0.267 4.643 4.660 -0.473 0.000 0.224 69 W C -0.352 176.201 176.519 0.057 0.000 0.799 69 W CA -0.191 57.210 57.345 0.094 0.000 1.149 69 W CB -0.373 29.102 29.460 0.025 0.000 0.935 69 W HN -0.219 nan 8.180 nan 0.000 0.454 70 T N -1.437 112.991 114.554 -0.209 0.000 2.901 70 T HA 0.803 4.872 4.350 -0.468 0.000 0.293 70 T C 0.324 174.979 174.700 -0.075 0.000 1.084 70 T CA -0.391 61.631 62.100 -0.130 0.000 1.008 70 T CB 1.608 70.315 68.868 -0.268 0.000 1.170 70 T HN 0.480 nan 8.240 nan 0.000 0.509 71 A N 1.024 123.822 122.820 -0.036 0.000 2.448 71 A HA 0.624 4.663 4.320 -0.468 0.000 0.239 71 A C 1.029 178.580 177.584 -0.055 0.000 1.080 71 A CA -0.149 51.873 52.037 -0.025 0.000 0.779 71 A CB -0.897 18.099 19.000 -0.007 0.000 1.026 71 A HN 1.699 nan 8.150 nan 0.000 0.499 72 A N 0.839 123.636 122.820 -0.037 0.000 2.546 72 A HA 0.479 4.518 4.320 -0.468 0.000 0.243 72 A C 0.987 178.548 177.584 -0.038 0.000 1.063 72 A CA 0.277 52.289 52.037 -0.042 0.000 0.757 72 A CB -0.735 18.253 19.000 -0.020 0.000 0.991 72 A HN 2.289 nan 8.150 nan 0.000 0.503 73 A N 4.762 127.550 122.820 -0.054 0.000 2.561 73 A HA 0.469 4.508 4.320 -0.468 0.000 0.234 73 A C -2.069 175.506 177.584 -0.015 0.000 1.055 73 A CA -0.670 51.340 52.037 -0.045 0.000 0.756 73 A CB -0.628 18.334 19.000 -0.063 0.000 0.986 73 A HN 0.672 nan 8.150 nan 0.000 0.505 74 P HA 0.083 nan 4.420 nan 0.000 0.272 74 P C 0.498 177.835 177.300 0.062 0.000 1.223 74 P CA -0.125 62.999 63.100 0.040 0.000 0.784 74 P CB 0.286 32.008 31.700 0.037 0.000 0.923 75 Y N 2.803 123.086 120.300 -0.029 0.000 2.102 75 Y HA -0.335 3.935 4.550 -0.468 0.000 0.280 75 Y C 2.056 177.937 175.900 -0.032 0.000 1.178 75 Y CA 2.566 60.646 58.100 -0.033 0.000 1.146 75 Y CB -0.457 37.983 38.460 -0.032 0.000 0.968 75 Y HN 0.461 nan 8.280 nan 0.000 0.504 76 D N -1.187 119.314 120.400 0.168 0.000 2.178 76 D HA -0.198 4.161 4.640 -0.468 0.000 0.201 76 D C 1.516 177.808 176.300 -0.013 0.000 0.980 76 D CA 1.299 55.349 54.000 0.083 0.000 0.842 76 D CB -0.340 40.514 40.800 0.090 0.000 0.948 76 D HN 0.424 nan 8.370 nan 0.000 0.472 77 Q N 0.525 120.313 119.800 -0.020 0.000 2.096 77 Q HA 0.084 4.143 4.340 -0.468 0.000 0.197 77 Q C 2.774 178.729 176.000 -0.074 0.000 0.964 77 Q CA 0.359 56.140 55.803 -0.037 0.000 0.838 77 Q CB -0.196 28.529 28.738 -0.022 0.000 0.906 77 Q HN 0.471 nan 8.270 nan 0.000 0.444 78 I N 1.039 121.543 120.570 -0.111 0.000 2.264 78 I HA -0.258 3.631 4.170 -0.468 0.000 0.248 78 I C 2.260 178.269 176.117 -0.179 0.000 1.111 78 I CA 1.058 62.270 61.300 -0.147 0.000 1.382 78 I CB -0.448 37.446 38.000 -0.177 0.000 1.060 78 I HN 0.041 nan 8.210 nan 0.000 0.418 79 A N 0.924 123.592 122.820 -0.254 0.000 2.024 79 A HA -0.202 3.837 4.320 -0.468 0.000 0.220 79 A C 2.326 179.844 177.584 -0.111 0.000 1.164 79 A CA 1.367 53.257 52.037 -0.246 0.000 0.643 79 A CB -0.592 18.249 19.000 -0.266 0.000 0.806 79 A HN 0.369 nan 8.150 nan 0.000 0.451 80 R N -0.288 120.174 120.500 -0.064 0.000 2.193 80 R HA -0.097 3.962 4.340 -0.468 0.000 0.229 80 R C 2.029 178.360 176.300 0.051 0.000 1.110 80 R CA 1.303 57.395 56.100 -0.014 0.000 0.988 80 R CB -0.704 29.587 30.300 -0.016 0.000 0.871 80 R HN 0.625 nan 8.270 nan 0.000 0.458 81 V N -0.652 119.305 119.914 0.073 0.000 2.594 81 V HA -0.210 3.629 4.120 -0.468 0.000 0.253 81 V C 1.652 177.936 176.094 0.317 0.000 1.069 81 V CA 1.519 63.974 62.300 0.259 0.000 1.082 81 V CB -0.393 31.531 31.823 0.168 0.000 0.680 81 V HN 0.156 nan 8.190 nan 0.000 0.469 82 K N 0.018 120.514 120.400 0.160 0.000 2.211 82 K HA -0.049 3.990 4.320 -0.468 0.000 0.203 82 K C 1.957 178.689 176.600 0.220 0.000 1.050 82 K CA 1.399 57.800 56.287 0.189 0.000 0.945 82 K CB -0.117 32.347 32.500 -0.060 0.000 0.732 82 K HN 0.459 nan 8.250 nan 0.000 0.451 83 E N 0.324 120.606 120.200 0.138 0.000 2.479 83 E HA 0.047 4.116 4.350 -0.468 0.000 0.193 83 E C 0.877 177.529 176.600 0.085 0.000 1.049 83 E CA 0.383 56.850 56.400 0.110 0.000 0.870 83 E CB 0.407 30.128 29.700 0.036 0.000 0.944 83 E HN 0.281 nan 8.360 nan 0.000 0.492 84 L N -0.422 120.875 121.223 0.125 0.000 2.818 84 L HA 0.267 4.326 4.340 -0.468 0.000 0.243 84 L C 1.029 178.042 176.870 0.238 0.000 1.185 84 L CA 0.140 55.023 54.840 0.072 0.000 0.988 84 L CB 0.327 42.417 42.059 0.050 0.000 1.292 84 L HN 0.151 nan 8.230 nan 0.000 0.519 85 G N -0.485 108.532 108.800 0.360 0.000 2.159 85 G HA2 -0.299 3.380 3.960 -0.468 0.000 0.256 85 G HA3 -0.299 3.380 3.960 -0.468 0.000 0.256 85 G C 0.032 175.226 174.900 0.491 0.000 0.977 85 G CA -0.231 45.142 45.100 0.455 0.000 0.652 85 G HN 0.168 nan 8.290 nan 0.000 0.531 86 F N 0.621 120.843 119.950 0.453 0.000 2.403 86 F HA 0.607 4.854 4.527 -0.467 0.000 0.326 86 F C 1.117 177.064 175.800 0.244 0.000 1.081 86 F CA -0.892 57.255 58.000 0.245 0.000 1.041 86 F CB 1.277 40.354 39.000 0.129 0.000 1.234 86 F HN 0.107 nan 8.300 nan 0.000 0.503 87 N N -0.058 118.866 118.700 0.373 0.000 2.184 87 N HA 0.449 4.908 4.740 -0.468 0.000 0.234 87 N C -0.988 174.699 175.510 0.295 0.000 1.282 87 N CA 0.020 53.278 53.050 0.346 0.000 0.877 87 N CB 0.613 39.277 38.487 0.296 0.000 1.184 87 N HN 0.527 nan 8.380 nan 0.000 0.510 88 A N -0.333 122.606 122.820 0.198 0.000 2.587 88 A HA 0.763 4.802 4.320 -0.468 0.000 0.293 88 A C -1.676 175.935 177.584 0.045 0.000 1.087 88 A CA -0.578 51.558 52.037 0.165 0.000 0.692 88 A CB 1.757 20.855 19.000 0.164 0.000 1.291 88 A HN -0.017 nan 8.150 nan 0.000 0.407 89 V N 1.575 121.526 119.914 0.062 0.000 2.638 89 V HA 0.365 4.204 4.120 -0.468 0.000 0.306 89 V C -0.369 175.787 176.094 0.103 0.000 1.052 89 V CA -0.470 61.849 62.300 0.030 0.000 0.885 89 V CB 1.769 33.594 31.823 0.003 0.000 0.999 89 V HN 0.979 nan 8.190 nan 0.000 0.424 90 H N 4.390 123.462 119.070 0.004 0.000 2.562 90 H HA 0.545 4.817 4.556 -0.472 0.000 0.314 90 H C -1.175 174.131 175.328 -0.037 0.000 1.079 90 H CA -0.769 55.257 56.048 -0.036 0.000 1.349 90 H CB 1.463 31.233 29.762 0.013 0.000 1.432 90 H HN 0.484 nan 8.280 nan 0.000 0.479 91 L N 6.990 128.135 121.223 -0.130 0.000 2.298 91 L HA 0.213 4.272 4.340 -0.468 0.000 0.284 91 L C -1.565 175.074 176.870 -0.385 0.000 1.013 91 L CA -0.528 54.206 54.840 -0.177 0.000 0.824 91 L CB 0.432 42.430 42.059 -0.101 0.000 1.221 91 L HN 0.554 nan 8.230 nan 0.000 0.418 92 Y N 5.120 125.298 120.300 -0.203 0.000 2.613 92 Y HA 0.371 4.637 4.550 -0.474 0.000 0.354 92 Y C 1.304 177.115 175.900 -0.148 0.000 1.063 92 Y CA 0.296 58.284 58.100 -0.186 0.000 1.384 92 Y CB 0.732 39.106 38.460 -0.142 0.000 1.199 92 Y HN 0.811 nan 8.280 nan 0.000 0.517 93 A N 2.722 125.505 122.820 -0.062 0.000 1.874 93 A HA 0.037 4.076 4.320 -0.468 0.000 0.214 93 A C 0.567 178.113 177.584 -0.063 0.000 1.189 93 A CA 1.008 52.993 52.037 -0.087 0.000 0.615 93 A CB 0.097 19.033 19.000 -0.107 0.000 0.830 93 A HN 0.684 nan 8.150 nan 0.000 0.443 94 E N -2.633 117.567 120.200 0.001 0.000 2.408 94 E HA 0.420 4.489 4.350 -0.468 0.000 0.275 94 E C -1.713 174.959 176.600 0.120 0.000 0.935 94 E CA -0.836 55.632 56.400 0.114 0.000 0.775 94 E CB 2.170 32.014 29.700 0.240 0.000 1.277 94 E HN 0.312 nan 8.360 nan 0.000 0.455 95 C N 2.970 122.394 119.300 0.206 0.000 2.319 95 C HA 0.612 4.791 4.460 -0.468 0.000 0.335 95 C C 0.017 174.734 174.990 -0.456 0.000 1.274 95 C CA -0.882 58.110 59.018 -0.043 0.000 1.806 95 C CB -1.219 26.561 27.740 0.066 0.000 2.329 95 C HN 0.689 nan 8.230 nan 0.000 0.524 96 F N 4.207 123.605 119.950 -0.921 0.000 2.490 96 F HA 0.468 4.711 4.527 -0.473 0.000 0.336 96 F C 0.128 175.363 175.800 -0.943 0.000 1.178 96 F CA -0.219 56.749 58.000 -1.720 0.000 1.301 96 F CB 0.359 38.724 39.000 -1.057 0.000 1.175 96 F HN 0.538 nan 8.300 nan 0.000 0.593 97 D N 3.738 123.537 120.400 -1.001 0.000 2.381 97 D HA 0.321 4.680 4.640 -0.468 0.000 0.235 97 D C -1.860 174.400 176.300 -0.067 0.000 1.068 97 D CA -2.696 51.052 54.000 -0.420 0.000 0.832 97 D CB 1.810 42.568 40.800 -0.071 0.000 1.101 97 D HN 0.246 nan 8.370 nan 0.000 0.515 98 P HA -0.086 nan 4.420 nan 0.000 0.221 98 P C 0.837 178.222 177.300 0.143 0.000 1.145 98 P CA 0.754 63.945 63.100 0.153 0.000 0.795 98 P CB 0.394 32.125 31.700 0.052 0.000 0.775 99 R N -2.220 118.343 120.500 0.104 0.000 2.297 99 R HA 0.039 4.098 4.340 -0.468 0.000 0.197 99 R C 0.845 177.258 176.300 0.188 0.000 0.943 99 R CA -0.284 55.882 56.100 0.110 0.000 1.038 99 R CB -0.526 29.806 30.300 0.054 0.000 0.957 99 R HN 0.222 nan 8.270 nan 0.000 0.484 100 Y N 3.860 124.256 120.300 0.159 0.000 2.610 100 Y HA 0.026 4.293 4.550 -0.471 0.000 0.332 100 Y C -1.745 174.260 175.900 0.175 0.000 1.201 100 Y CA -1.872 56.361 58.100 0.222 0.000 1.465 100 Y CB 0.824 39.564 38.460 0.466 0.000 1.283 100 Y HN -0.080 nan 8.280 nan 0.000 0.563 101 P HA 0.230 nan 4.420 nan 0.000 0.248 101 P C -0.716 176.467 177.300 -0.195 0.000 1.708 101 P CA -0.002 62.710 63.100 -0.648 0.000 1.062 101 P CB -0.266 30.915 31.700 -0.864 0.000 1.562 102 A N 1.787 124.576 122.820 -0.053 0.000 2.448 102 A HA 0.379 4.418 4.320 -0.468 0.000 0.239 102 A C -2.087 175.498 177.584 0.003 0.000 1.080 102 A CA -1.040 50.986 52.037 -0.019 0.000 0.779 102 A CB -1.183 17.821 19.000 0.007 0.000 1.026 102 A HN 0.108 nan 8.150 nan 0.000 0.499 103 P HA 0.235 nan 4.420 nan 0.000 0.262 103 P C 0.985 178.296 177.300 0.018 0.000 1.182 103 P CA 1.949 65.052 63.100 0.005 0.000 0.761 103 P CB 0.493 32.192 31.700 -0.003 0.000 0.795 104 G N 1.857 110.673 108.800 0.025 0.000 2.199 104 G HA2 -0.257 3.422 3.960 -0.468 0.000 0.254 104 G HA3 -0.257 3.422 3.960 -0.468 0.000 0.254 104 G C 0.405 175.331 174.900 0.043 0.000 0.982 104 G CA 0.289 45.403 45.100 0.023 0.000 0.632 104 G HN 0.805 nan 8.290 nan 0.000 0.529 105 S N 0.024 115.775 115.700 0.086 0.000 2.585 105 S HA 0.523 4.712 4.470 -0.468 0.000 0.273 105 S C 0.301 175.014 174.600 0.188 0.000 1.339 105 S CA 0.370 58.662 58.200 0.152 0.000 1.028 105 S CB 1.144 64.496 63.200 0.254 0.000 0.906 105 S HN 1.028 nan 8.310 nan 0.000 0.528 106 K N 0.933 121.443 120.400 0.184 0.000 2.248 106 K HA 0.663 4.702 4.320 -0.468 0.000 0.281 106 K C -0.205 176.612 176.600 0.361 0.000 1.054 106 K CA -0.707 55.673 56.287 0.156 0.000 0.903 106 K CB 1.091 33.555 32.500 -0.060 0.000 1.077 106 K HN 0.644 nan 8.250 nan 0.000 0.474 107 A N 4.392 127.361 122.820 0.247 0.000 2.302 107 A HA 0.455 4.494 4.320 -0.468 0.000 0.285 107 A C -2.244 175.307 177.584 -0.055 0.000 1.105 107 A CA -1.820 50.236 52.037 0.031 0.000 0.816 107 A CB -0.115 18.934 19.000 0.082 0.000 1.067 107 A HN 0.667 nan 8.150 nan 0.000 0.489 108 P HA 0.289 nan 4.420 nan 0.000 0.267 108 P C 0.873 177.922 177.300 -0.419 0.000 1.200 108 P CA 1.476 64.181 63.100 -0.659 0.000 0.772 108 P CB 0.717 31.705 31.700 -1.187 0.000 0.855 109 G N 1.673 110.295 108.800 -0.296 0.000 2.195 109 G HA2 -0.326 3.353 3.960 -0.468 0.000 0.224 109 G HA3 -0.326 3.353 3.960 -0.468 0.000 0.224 109 G C 0.737 175.511 174.900 -0.210 0.000 0.990 109 G CA 0.275 45.053 45.100 -0.537 0.000 0.639 109 G HN 0.595 nan 8.290 nan 0.000 0.514 110 Y N -0.305 119.979 120.300 -0.027 0.000 2.333 110 Y HA 0.386 4.653 4.550 -0.471 0.000 0.290 110 Y C 2.315 178.261 175.900 0.075 0.000 1.144 110 Y CA 1.500 59.614 58.100 0.023 0.000 1.228 110 Y CB -0.527 37.979 38.460 0.076 0.000 0.985 110 Y HN 0.653 nan 8.280 nan 0.000 0.542 111 A N 0.579 123.189 122.820 -0.350 0.000 2.460 111 A HA 0.294 4.333 4.320 -0.468 0.000 0.258 111 A C 1.926 179.514 177.584 0.007 0.000 1.300 111 A CA 0.403 52.340 52.037 -0.167 0.000 0.913 111 A CB -0.861 17.933 19.000 -0.343 0.000 1.031 111 A HN 0.401 nan 8.150 nan 0.000 0.512 112 V N 0.759 120.743 119.914 0.118 0.000 2.317 112 V HA -0.306 3.533 4.120 -0.468 0.000 0.251 112 V C 2.059 178.259 176.094 0.177 0.000 1.065 112 V CA 2.797 65.257 62.300 0.267 0.000 1.049 112 V CB -0.596 31.403 31.823 0.293 0.000 0.651 112 V HN 0.681 nan 8.190 nan 0.000 0.450 113 N N -0.123 118.642 118.700 0.108 0.000 2.244 113 N HA -0.112 4.347 4.740 -0.468 0.000 0.183 113 N C 1.734 177.283 175.510 0.065 0.000 1.016 113 N CA 1.491 54.592 53.050 0.084 0.000 0.866 113 N CB -0.271 38.254 38.487 0.063 0.000 0.980 113 N HN 0.594 nan 8.380 nan 0.000 0.430 114 E N 0.756 120.984 120.200 0.046 0.000 2.086 114 E HA 0.067 4.136 4.350 -0.468 0.000 0.190 114 E C 2.234 178.832 176.600 -0.003 0.000 0.975 114 E CA 0.214 56.623 56.400 0.015 0.000 0.813 114 E CB -0.190 29.508 29.700 -0.004 0.000 0.768 114 E HN 0.397 nan 8.360 nan 0.000 0.457 115 I N 1.803 122.371 120.570 -0.003 0.000 2.286 115 I HA -0.245 3.644 4.170 -0.468 0.000 0.248 115 I C 1.813 177.915 176.117 -0.026 0.000 1.115 115 I CA 1.095 62.366 61.300 -0.048 0.000 1.392 115 I CB -0.242 37.707 38.000 -0.084 0.000 1.065 115 I HN -0.077 nan 8.210 nan 0.000 0.418 116 D N 1.246 121.708 120.400 0.103 0.000 2.123 116 D HA -0.173 4.186 4.640 -0.468 0.000 0.196 116 D C 2.190 178.513 176.300 0.037 0.000 0.992 116 D CA 1.279 55.350 54.000 0.118 0.000 0.833 116 D CB -0.151 40.747 40.800 0.163 0.000 0.954 116 D HN 0.313 nan 8.370 nan 0.000 0.455 117 K N 0.102 120.519 120.400 0.029 0.000 2.057 117 K HA -0.075 3.964 4.320 -0.468 0.000 0.207 117 K C 2.085 178.691 176.600 0.009 0.000 1.049 117 K CA 0.535 56.837 56.287 0.025 0.000 0.931 117 K CB 0.089 32.603 32.500 0.024 0.000 0.714 117 K HN 0.115 nan 8.250 nan 0.000 0.440 118 I N 0.975 121.529 120.570 -0.026 0.000 2.226 118 I HA -0.224 3.665 4.170 -0.468 0.000 0.245 118 I C 2.342 178.437 176.117 -0.037 0.000 1.100 118 I CA 1.260 62.535 61.300 -0.043 0.000 1.374 118 I CB -1.011 36.944 38.000 -0.076 0.000 1.057 118 I HN -0.069 nan 8.210 nan 0.000 0.413 119 V N 1.028 120.883 119.914 -0.098 0.000 2.287 119 V HA -0.276 3.563 4.120 -0.468 0.000 0.248 119 V C 2.467 178.619 176.094 0.098 0.000 1.053 119 V CA 1.831 64.090 62.300 -0.069 0.000 1.027 119 V CB -0.697 30.921 31.823 -0.343 0.000 0.646 119 V HN 0.431 nan 8.190 nan 0.000 0.447 120 E N -0.348 119.881 120.200 0.047 0.000 2.072 120 E HA -0.203 3.866 4.350 -0.468 0.000 0.191 120 E C 2.483 179.115 176.600 0.053 0.000 0.985 120 E CA 1.154 57.585 56.400 0.051 0.000 0.801 120 E CB -0.171 29.558 29.700 0.049 0.000 0.750 120 E HN 0.530 nan 8.360 nan 0.000 0.452 121 R N 0.216 120.759 120.500 0.073 0.000 2.066 121 R HA -0.089 3.971 4.340 -0.468 0.000 0.232 121 R C 2.759 179.052 176.300 -0.012 0.000 1.131 121 R CA 1.842 58.011 56.100 0.114 0.000 0.955 121 R CB -0.559 29.804 30.300 0.105 0.000 0.851 121 R HN 0.290 nan 8.270 nan 0.000 0.432 122 T N -0.758 113.784 114.554 -0.020 0.000 2.788 122 T HA -0.184 3.886 4.350 -0.468 0.000 0.268 122 T C 1.934 176.516 174.700 -0.196 0.000 1.044 122 T CA 1.043 63.116 62.100 -0.045 0.000 1.139 122 T CB -0.235 68.686 68.868 0.088 0.000 0.867 122 T HN 0.198 nan 8.240 nan 0.000 0.454 123 R N 1.235 121.536 120.500 -0.331 0.000 2.097 123 R HA -0.178 3.881 4.340 -0.468 0.000 0.236 123 R C 2.634 178.754 176.300 -0.300 0.000 1.135 123 R CA 2.171 57.876 56.100 -0.658 0.000 0.934 123 R CB -0.405 29.646 30.300 -0.415 0.000 0.846 123 R HN 0.669 nan 8.270 nan 0.000 0.431 124 E N 0.145 120.274 120.200 -0.119 0.000 2.150 124 E HA -0.152 3.917 4.350 -0.468 0.000 0.193 124 E C 1.821 178.402 176.600 -0.032 0.000 0.985 124 E CA 0.848 57.239 56.400 -0.016 0.000 0.814 124 E CB 0.018 29.794 29.700 0.126 0.000 0.752 124 E HN 0.397 nan 8.360 nan 0.000 0.466 125 L N -0.274 120.884 121.223 -0.107 0.000 2.599 125 L HA 0.137 4.196 4.340 -0.468 0.000 0.230 125 L C 1.177 177.909 176.870 -0.229 0.000 1.141 125 L CA 0.384 55.099 54.840 -0.209 0.000 0.877 125 L CB 0.096 41.960 42.059 -0.325 0.000 1.009 125 L HN 0.365 nan 8.230 nan 0.000 0.447 126 G N 0.877 109.578 108.800 -0.166 0.000 2.246 126 G HA2 -0.274 3.405 3.960 -0.468 0.000 0.273 126 G HA3 -0.274 3.405 3.960 -0.468 0.000 0.273 126 G C -0.105 174.770 174.900 -0.041 0.000 1.055 126 G CA 0.010 45.057 45.100 -0.089 0.000 0.851 126 G HN 0.253 nan 8.290 nan 0.000 0.500 127 L N -1.012 120.140 121.223 -0.118 0.000 2.334 127 L HA 0.657 4.716 4.340 -0.468 0.000 0.273 127 L C 0.557 177.367 176.870 -0.101 0.000 1.013 127 L CA -1.618 53.198 54.840 -0.040 0.000 0.816 127 L CB 1.089 43.151 42.059 0.004 0.000 1.278 127 L HN 0.090 nan 8.230 nan 0.000 0.431 128 Y N 1.815 122.204 120.300 0.149 0.000 2.314 128 Y HA 0.415 4.684 4.550 -0.468 0.000 0.334 128 Y C -0.058 175.895 175.900 0.089 0.000 1.266 128 Y CA -0.092 58.088 58.100 0.134 0.000 1.391 128 Y CB 0.953 39.470 38.460 0.095 0.000 1.306 128 Y HN 0.283 nan 8.280 nan 0.000 0.558 129 L N 2.045 123.379 121.223 0.185 0.000 2.439 129 L HA 0.601 4.660 4.340 -0.468 0.000 0.270 129 L C -1.663 175.214 176.870 0.012 0.000 0.972 129 L CA -0.600 54.271 54.840 0.052 0.000 0.836 129 L CB 1.720 43.751 42.059 -0.046 0.000 1.255 129 L HN 0.362 nan 8.230 nan 0.000 0.404 130 V N 6.708 126.637 119.914 0.024 0.000 2.311 130 V HA 0.445 4.284 4.120 -0.468 0.000 0.275 130 V C 0.268 176.405 176.094 0.073 0.000 1.022 130 V CA -0.352 61.945 62.300 -0.004 0.000 0.830 130 V CB 1.103 32.854 31.823 -0.120 0.000 1.012 130 V HN 0.588 nan 8.190 nan 0.000 0.452 131 I N 4.268 124.909 120.570 0.119 0.000 2.365 131 I HA 0.476 4.365 4.170 -0.468 0.000 0.291 131 I C 0.467 176.704 176.117 0.200 0.000 1.004 131 I CA 0.376 61.750 61.300 0.123 0.000 1.311 131 I CB 1.712 39.825 38.000 0.188 0.000 1.401 131 I HN 0.575 nan 8.210 nan 0.000 0.491 132 T N 6.269 120.829 114.554 0.011 0.000 2.838 132 T HA 0.603 4.672 4.350 -0.468 0.000 0.292 132 T C -0.603 173.963 174.700 -0.223 0.000 1.113 132 T CA -0.562 61.540 62.100 0.003 0.000 1.008 132 T CB 1.323 70.177 68.868 -0.022 0.000 1.259 132 T HN 0.280 nan 8.240 nan 0.000 0.520 133 I N 2.439 122.800 120.570 -0.348 0.000 2.325 133 I HA 0.461 4.350 4.170 -0.468 0.000 0.291 133 I C 1.180 177.137 176.117 -0.267 0.000 1.019 133 I CA -0.483 60.490 61.300 -0.544 0.000 1.302 133 I CB 1.111 38.600 38.000 -0.851 0.000 1.401 133 I HN 0.659 nan 8.210 nan 0.000 0.485 134 G N 3.681 112.448 108.800 -0.054 0.000 2.535 134 G HA2 0.230 3.909 3.960 -0.468 0.000 0.303 134 G HA3 0.230 3.909 3.960 -0.468 0.000 0.303 134 G C 0.118 175.095 174.900 0.128 0.000 1.237 134 G CA -0.432 44.751 45.100 0.139 0.000 0.986 134 G HN 0.688 nan 8.290 nan 0.000 0.494 135 N N -1.127 117.673 118.700 0.167 0.000 2.210 135 N HA 0.263 4.722 4.740 -0.468 0.000 0.203 135 N C 1.390 176.879 175.510 -0.035 0.000 1.175 135 N CA 0.702 53.869 53.050 0.196 0.000 0.894 135 N CB 0.910 39.597 38.487 0.333 0.000 1.041 135 N HN 0.955 nan 8.380 nan 0.000 0.506 136 G N 1.524 110.336 108.800 0.019 0.000 2.622 136 G HA2 -0.376 3.303 3.960 -0.468 0.000 0.307 136 G HA3 -0.376 3.303 3.960 -0.468 0.000 0.307 136 G C 0.893 175.760 174.900 -0.054 0.000 1.226 136 G CA 0.574 45.651 45.100 -0.038 0.000 0.997 136 G HN 0.501 nan 8.290 nan 0.000 0.551 137 A N 0.121 122.871 122.820 -0.116 0.000 2.235 137 A HA 0.358 4.397 4.320 -0.468 0.000 0.208 137 A C 1.268 178.838 177.584 -0.023 0.000 1.172 137 A CA 1.429 53.424 52.037 -0.070 0.000 0.786 137 A CB -0.390 18.549 19.000 -0.101 0.000 0.804 137 A HN 0.641 nan 8.150 nan 0.000 0.479 138 N N 0.518 119.202 118.700 -0.026 0.000 2.610 138 N HA 0.149 4.608 4.740 -0.468 0.000 0.309 138 N C -0.941 174.686 175.510 0.196 0.000 1.536 138 N CA -0.392 52.688 53.050 0.051 0.000 0.954 138 N CB 0.246 38.699 38.487 -0.056 0.000 1.310 138 N HN 0.326 nan 8.380 nan 0.000 0.502 139 N N 0.228 119.053 118.700 0.209 0.000 2.453 139 N HA 0.270 4.729 4.740 -0.468 0.000 0.253 139 N C 1.155 176.749 175.510 0.141 0.000 1.252 139 N CA 1.073 54.297 53.050 0.289 0.000 0.917 139 N CB 0.534 39.254 38.487 0.388 0.000 1.117 139 N HN 0.321 nan 8.380 nan 0.000 0.442 140 G N -0.234 108.554 108.800 -0.020 0.000 2.198 140 G HA2 -0.271 3.408 3.960 -0.468 0.000 0.257 140 G HA3 -0.271 3.408 3.960 -0.468 0.000 0.257 140 G C -0.243 174.462 174.900 -0.324 0.000 1.042 140 G CA 0.121 44.897 45.100 -0.540 0.000 0.791 140 G HN 0.783 nan 8.290 nan 0.000 0.502 141 N N -0.123 118.517 118.700 -0.101 0.000 2.823 141 N HA 0.608 5.067 4.740 -0.468 0.000 0.251 141 N C -0.826 174.534 175.510 -0.250 0.000 1.392 141 N CA -0.030 52.959 53.050 -0.103 0.000 0.864 141 N CB 1.204 39.719 38.487 0.045 0.000 1.481 141 N HN 0.591 nan 8.380 nan 0.000 0.508 142 H N -0.799 117.887 119.070 -0.640 0.000 3.014 142 H HA 0.421 4.672 4.556 -0.507 0.000 0.337 142 H C -1.683 173.196 175.328 -0.749 0.000 1.320 142 H CA -0.714 54.596 56.048 -1.229 0.000 1.128 142 H CB 1.107 30.169 29.762 -1.167 0.000 1.862 142 H HN 0.486 nan 8.280 nan 0.000 0.536 143 N N 0.314 118.648 118.700 -0.611 0.000 2.483 143 N HA 0.342 4.801 4.740 -0.468 0.000 0.267 143 N C 0.562 176.180 175.510 0.180 0.000 0.998 143 N CA 0.288 53.303 53.050 -0.059 0.000 0.918 143 N CB 1.786 40.440 38.487 0.278 0.000 1.215 143 N HN 0.716 nan 8.380 nan 0.000 0.500 144 A N 3.534 126.470 122.820 0.193 0.000 1.883 144 A HA -0.202 3.837 4.320 -0.468 0.000 0.217 144 A C 1.842 179.596 177.584 0.283 0.000 1.186 144 A CA 1.592 53.788 52.037 0.264 0.000 0.624 144 A CB -0.609 18.515 19.000 0.207 0.000 0.822 144 A HN 0.827 nan 8.150 nan 0.000 0.444 145 Q N -1.928 118.047 119.800 0.291 0.000 2.096 145 Q HA -0.253 3.807 4.340 -0.468 0.000 0.204 145 Q C 1.945 178.208 176.000 0.438 0.000 0.982 145 Q CA 1.943 57.944 55.803 0.331 0.000 0.850 145 Q CB -0.264 28.655 28.738 0.303 0.000 0.901 145 Q HN 0.812 nan 8.270 nan 0.000 0.422 146 W N 0.378 121.873 121.300 0.324 0.000 2.355 146 W HA -0.211 4.173 4.660 -0.461 0.000 0.309 146 W C 2.230 178.838 176.519 0.147 0.000 1.206 146 W CA 2.192 59.604 57.345 0.112 0.000 1.284 146 W CB -0.326 29.192 29.460 0.096 0.000 1.145 146 W HN 0.282 nan 8.180 nan 0.000 0.502 147 A N 0.444 123.606 122.820 0.571 0.000 1.877 147 A HA -0.204 3.835 4.320 -0.468 0.000 0.216 147 A C 1.982 179.829 177.584 0.439 0.000 1.186 147 A CA 1.857 54.207 52.037 0.522 0.000 0.620 147 A CB -0.819 18.491 19.000 0.517 0.000 0.822 147 A HN 0.371 nan 8.150 nan 0.000 0.443 148 R N -0.384 120.321 120.500 0.341 0.000 2.083 148 R HA -0.139 3.920 4.340 -0.468 0.000 0.237 148 R C 1.608 178.038 176.300 0.217 0.000 1.137 148 R CA 1.591 57.863 56.100 0.287 0.000 0.951 148 R CB -0.471 29.959 30.300 0.217 0.000 0.851 148 R HN 0.470 nan 8.270 nan 0.000 0.434 149 D N 0.083 120.555 120.400 0.119 0.000 2.144 149 D HA -0.151 4.208 4.640 -0.468 0.000 0.200 149 D C 1.520 177.738 176.300 -0.136 0.000 0.978 149 D CA 0.832 54.819 54.000 -0.021 0.000 0.833 149 D CB -0.268 40.497 40.800 -0.059 0.000 0.961 149 D HN 0.091 nan 8.370 nan 0.000 0.470 150 F N -0.185 119.541 119.950 -0.374 0.000 2.069 150 F HA -0.177 4.075 4.527 -0.459 0.000 0.298 150 F C 1.897 177.532 175.800 -0.275 0.000 1.113 150 F CA 1.546 59.279 58.000 -0.445 0.000 1.214 150 F CB -0.462 38.205 39.000 -0.554 0.000 0.978 150 F HN -0.032 nan 8.300 nan 0.000 0.474 151 W N 0.897 122.333 121.300 0.227 0.000 2.467 151 W HA -0.028 4.346 4.660 -0.476 0.000 0.275 151 W C 2.368 178.841 176.519 -0.077 0.000 1.239 151 W CA 0.755 58.144 57.345 0.073 0.000 1.266 151 W CB -0.277 29.277 29.460 0.158 0.000 1.112 151 W HN -0.120 nan 8.180 nan 0.000 0.576 152 K N -0.524 119.951 120.400 0.125 0.000 2.103 152 K HA -0.210 3.829 4.320 -0.468 0.000 0.207 152 K C 1.824 178.270 176.600 -0.257 0.000 1.048 152 K CA 1.524 57.788 56.287 -0.037 0.000 0.930 152 K CB -0.561 31.941 32.500 0.003 0.000 0.716 152 K HN 0.115 nan 8.250 nan 0.000 0.444 153 F N -0.115 119.557 119.950 -0.464 0.000 2.118 153 F HA -0.113 4.132 4.527 -0.470 0.000 0.293 153 F C 1.685 177.010 175.800 -0.791 0.000 1.102 153 F CA 1.244 58.828 58.000 -0.694 0.000 1.247 153 F CB -0.114 38.339 39.000 -0.911 0.000 1.017 153 F HN -0.070 nan 8.300 nan 0.000 0.475 154 Y N -0.122 119.751 120.300 -0.712 0.000 2.448 154 Y HA 0.241 4.509 4.550 -0.469 0.000 0.289 154 Y C 2.431 178.019 175.900 -0.520 0.000 1.114 154 Y CA 0.537 58.133 58.100 -0.840 0.000 1.235 154 Y CB -1.205 36.645 38.460 -1.017 0.000 1.045 154 Y HN 0.129 nan 8.280 nan 0.000 0.554 155 A N 1.296 124.072 122.820 -0.073 0.000 1.865 155 A HA -0.166 3.873 4.320 -0.468 0.000 0.217 155 A C -0.014 177.635 177.584 0.110 0.000 1.191 155 A CA 1.896 54.014 52.037 0.136 0.000 0.623 155 A CB -1.869 17.308 19.000 0.295 0.000 0.826 155 A HN 0.272 nan 8.150 nan 0.000 0.444 156 P HA -0.159 nan 4.420 nan 0.000 0.218 156 P C 1.565 178.730 177.300 -0.225 0.000 1.149 156 P CA 1.336 64.349 63.100 -0.145 0.000 0.817 156 P CB -0.206 31.276 31.700 -0.363 0.000 0.785 157 R N -0.654 119.562 120.500 -0.473 0.000 2.081 157 R HA -0.141 3.918 4.340 -0.468 0.000 0.235 157 R C 1.205 177.249 176.300 -0.426 0.000 1.131 157 R CA 1.516 57.229 56.100 -0.645 0.000 0.960 157 R CB -0.321 29.280 30.300 -1.164 0.000 0.856 157 R HN 0.175 nan 8.270 nan 0.000 0.436 158 Y N -0.971 119.375 120.300 0.075 0.000 2.636 158 Y HA 0.405 4.673 4.550 -0.470 0.000 0.260 158 Y C 1.405 177.403 175.900 0.164 0.000 1.177 158 Y CA -0.447 57.738 58.100 0.142 0.000 1.209 158 Y CB -0.013 38.570 38.460 0.205 0.000 1.166 158 Y HN 0.109 nan 8.280 nan 0.000 0.531 159 A N 0.253 123.211 122.820 0.231 0.000 1.948 159 A HA -0.191 3.848 4.320 -0.468 0.000 0.220 159 A C 2.158 179.781 177.584 0.065 0.000 1.177 159 A CA 1.908 54.028 52.037 0.138 0.000 0.636 159 A CB -0.336 18.731 19.000 0.112 0.000 0.815 159 A HN 0.198 nan 8.150 nan 0.000 0.449 160 K N 0.310 120.760 120.400 0.083 0.000 2.404 160 K HA 0.128 4.167 4.320 -0.468 0.000 0.194 160 K C -0.173 176.479 176.600 0.087 0.000 1.023 160 K CA 0.013 56.340 56.287 0.067 0.000 1.094 160 K CB 0.174 32.709 32.500 0.059 0.000 0.841 160 K HN 0.594 nan 8.250 nan 0.000 0.523 161 E N 1.537 121.803 120.200 0.109 0.000 1.932 161 E HA 0.033 4.102 4.350 -0.468 0.000 0.275 161 E C 0.994 177.635 176.600 0.070 0.000 1.159 161 E CA 0.128 56.603 56.400 0.125 0.000 0.905 161 E CB 1.019 30.770 29.700 0.085 0.000 1.059 161 E HN 0.442 nan 8.360 nan 0.000 0.400 162 T N -0.914 113.729 114.554 0.148 0.000 3.007 162 T HA -0.167 3.903 4.350 -0.468 0.000 0.270 162 T C 1.386 176.183 174.700 0.161 0.000 1.107 162 T CA 0.993 63.161 62.100 0.114 0.000 1.118 162 T CB -0.237 68.701 68.868 0.117 0.000 0.889 162 T HN 0.515 nan 8.240 nan 0.000 0.506 163 H N 0.356 119.444 119.070 0.030 0.000 2.547 163 H HA 0.342 4.618 4.556 -0.467 0.000 0.266 163 H C 0.067 175.464 175.328 0.115 0.000 0.988 163 H CA -0.254 55.815 56.048 0.035 0.000 1.147 163 H CB -0.723 28.948 29.762 -0.152 0.000 1.365 163 H HN 0.284 nan 8.280 nan 0.000 0.589 164 V N 2.331 122.055 119.914 -0.316 0.000 2.398 164 V HA 0.253 4.092 4.120 -0.468 0.000 0.286 164 V C -0.307 175.651 176.094 -0.227 0.000 1.026 164 V CA -0.760 61.362 62.300 -0.296 0.000 0.868 164 V CB 1.594 33.229 31.823 -0.315 0.000 0.982 164 V HN 0.056 nan 8.190 nan 0.000 0.443 165 L N 4.838 125.958 121.223 -0.172 0.000 2.330 165 L HA 0.597 4.656 4.340 -0.468 0.000 0.271 165 L C -0.931 175.931 176.870 -0.013 0.000 1.013 165 L CA -0.524 54.156 54.840 -0.268 0.000 0.816 165 L CB 1.282 43.135 42.059 -0.344 0.000 1.287 165 L HN 0.415 nan 8.230 nan 0.000 0.435 166 Y N 0.545 120.750 120.300 -0.158 0.000 2.335 166 Y HA 0.465 4.733 4.550 -0.469 0.000 0.338 166 Y C 0.071 175.844 175.900 -0.211 0.000 0.977 166 Y CA -1.374 56.653 58.100 -0.121 0.000 1.114 166 Y CB 1.309 39.529 38.460 -0.399 0.000 1.182 166 Y HN 0.556 nan 8.280 nan 0.000 0.463 167 E N 4.187 124.454 120.200 0.111 0.000 2.114 167 E HA 0.332 4.401 4.350 -0.468 0.000 0.266 167 E C 0.448 177.119 176.600 0.118 0.000 0.896 167 E CA -0.209 56.196 56.400 0.010 0.000 0.750 167 E CB 0.737 30.445 29.700 0.013 0.000 1.121 167 E HN 0.781 nan 8.360 nan 0.000 0.413 168 I N 2.883 123.423 120.570 -0.049 0.000 2.113 168 I HA -0.227 3.662 4.170 -0.468 0.000 0.242 168 I C 0.956 177.280 176.117 0.345 0.000 1.064 168 I CA 1.351 62.660 61.300 0.016 0.000 1.320 168 I CB -0.134 37.782 38.000 -0.141 0.000 1.028 168 I HN 0.583 nan 8.210 nan 0.000 0.406 169 H N -0.139 118.984 119.070 0.089 0.000 3.155 169 H HA 0.197 4.480 4.556 -0.455 0.000 0.328 169 H C -1.221 174.142 175.328 0.059 0.000 1.059 169 H CA -0.875 55.217 56.048 0.073 0.000 1.378 169 H CB 0.979 30.738 29.762 -0.005 0.000 1.998 169 H HN -0.007 nan 8.280 nan 0.000 0.480 170 N N 2.617 121.443 118.700 0.211 0.000 2.458 170 N HA -0.041 4.418 4.740 -0.468 0.000 0.258 170 N C -0.456 175.269 175.510 0.358 0.000 1.219 170 N CA 0.609 53.846 53.050 0.312 0.000 0.902 170 N CB 0.408 39.120 38.487 0.374 0.000 1.076 170 N HN 0.631 nan 8.380 nan 0.000 0.455 171 E N 1.480 121.822 120.200 0.237 0.000 1.822 171 E HA -0.199 3.870 4.350 -0.468 0.000 0.168 171 E C -1.747 174.932 176.600 0.132 0.000 1.351 171 E CA 0.068 56.605 56.400 0.228 0.000 0.547 171 E CB -0.428 29.489 29.700 0.363 0.000 1.036 171 E HN 0.638 nan 8.360 nan 0.000 0.280 172 P HA 0.021 nan 4.420 nan 0.000 0.245 172 P C 0.104 177.245 177.300 -0.265 0.000 1.206 172 P CA 0.441 63.383 63.100 -0.264 0.000 0.781 172 P CB 0.611 31.958 31.700 -0.588 0.000 0.994 173 V N 0.090 119.807 119.914 -0.328 0.000 2.808 173 V HA 0.544 4.383 4.120 -0.468 0.000 0.308 173 V C -0.390 175.480 176.094 -0.373 0.000 1.099 173 V CA -1.213 60.854 62.300 -0.388 0.000 0.920 173 V CB 2.150 33.582 31.823 -0.651 0.000 1.014 173 V HN -0.036 nan 8.190 nan 0.000 0.425 174 A N 3.374 125.808 122.820 -0.644 0.000 2.391 174 A HA 0.580 4.619 4.320 -0.468 0.000 0.316 174 A C -0.377 176.888 177.584 -0.531 0.000 1.381 174 A CA 0.018 51.247 52.037 -1.347 0.000 0.998 174 A CB -0.338 17.695 19.000 -1.611 0.000 1.147 174 A HN 1.021 nan 8.150 nan 0.000 0.545 175 W N 1.763 123.153 121.300 0.149 0.000 1.762 175 W HA 0.449 5.124 4.660 0.025 0.000 0.260 175 W C 0.750 177.435 176.519 0.276 0.000 0.846 175 W CA 0.354 57.811 57.345 0.187 0.000 1.326 175 W CB 0.976 30.525 29.460 0.148 0.000 1.010 175 W HN 1.053 nan 8.180 nan 0.000 0.482 176 G N 0.167 109.252 108.800 0.476 0.000 2.341 176 G HA2 0.340 4.019 3.960 -0.468 0.000 0.299 176 G HA3 0.340 4.019 3.960 -0.468 0.000 0.299 176 G C -3.110 171.957 174.900 0.278 0.000 1.274 176 G CA -0.931 44.423 45.100 0.425 0.000 0.853 176 G HN -0.390 nan 8.290 nan 0.000 0.493 177 P HA 0.345 nan 4.420 nan 0.000 0.274 177 P C -2.712 174.560 177.300 -0.047 0.000 1.237 177 P CA -1.115 61.832 63.100 -0.256 0.000 0.793 177 P CB 0.794 32.068 31.700 -0.709 0.000 0.977 178 P HA 0.164 nan 4.420 nan 0.000 0.292 178 P C 0.422 177.837 177.300 0.191 0.000 1.326 178 P CA -0.384 62.721 63.100 0.008 0.000 0.787 178 P CB 0.407 32.106 31.700 -0.002 0.000 0.903 179 Y N 1.474 121.816 120.300 0.070 0.000 2.315 179 Y HA -0.170 4.135 4.550 -0.410 0.000 0.288 179 Y C 2.468 178.407 175.900 0.065 0.000 1.154 179 Y CA 1.429 59.581 58.100 0.088 0.000 1.229 179 Y CB -1.564 36.975 38.460 0.132 0.000 0.980 179 Y HN 0.389 nan 8.280 nan 0.000 0.540 180 S N -1.391 114.435 115.700 0.209 0.000 2.555 180 S HA -0.020 4.169 4.470 -0.468 0.000 0.230 180 S C 1.181 175.838 174.600 0.095 0.000 0.978 180 S CA 0.190 58.472 58.200 0.137 0.000 0.934 180 S CB -0.420 62.842 63.200 0.103 0.000 0.766 180 S HN 0.234 nan 8.310 nan 0.000 0.533 181 S N 2.126 117.881 115.700 0.091 0.000 2.562 181 S HA 0.192 4.381 4.470 -0.468 0.000 0.281 181 S C 1.430 176.064 174.600 0.056 0.000 1.333 181 S CA 0.013 58.250 58.200 0.063 0.000 1.052 181 S CB 0.659 63.893 63.200 0.056 0.000 0.884 181 S HN 0.582 nan 8.310 nan 0.000 0.506 182 S N 2.615 118.340 115.700 0.041 0.000 2.469 182 S HA -0.096 4.093 4.470 -0.468 0.000 0.238 182 S C 1.391 176.006 174.600 0.025 0.000 0.998 182 S CA 1.183 59.403 58.200 0.033 0.000 0.957 182 S CB -0.860 62.355 63.200 0.026 0.000 0.764 182 S HN 0.935 nan 8.310 nan 0.000 0.514 183 T N -0.974 113.596 114.554 0.027 0.000 3.105 183 T HA 0.648 4.717 4.350 -0.468 0.000 0.253 183 T C 0.560 175.271 174.700 0.018 0.000 1.047 183 T CA 0.018 62.130 62.100 0.019 0.000 0.944 183 T CB -0.090 68.790 68.868 0.020 0.000 1.016 183 T HN 0.523 nan 8.240 nan 0.000 0.544 184 A N 2.056 124.893 122.820 0.028 0.000 2.483 184 A HA 0.433 4.472 4.320 -0.468 0.000 0.238 184 A C 0.441 178.009 177.584 -0.027 0.000 1.070 184 A CA -0.417 51.633 52.037 0.021 0.000 0.770 184 A CB -0.084 18.949 19.000 0.055 0.000 1.008 184 A HN 0.411 nan 8.150 nan 0.000 0.497 185 N N 2.071 120.729 118.700 -0.071 0.000 2.626 185 N HA 0.443 4.902 4.740 -0.468 0.000 0.242 185 N C -2.940 172.460 175.510 -0.184 0.000 1.005 185 N CA -1.933 51.047 53.050 -0.117 0.000 0.905 185 N CB 1.446 39.856 38.487 -0.127 0.000 1.128 185 N HN 0.338 nan 8.380 nan 0.000 0.512 186 P HA 0.487 nan 4.420 nan 0.000 0.283 186 P C -2.848 174.417 177.300 -0.058 0.000 1.278 186 P CA -1.496 61.532 63.100 -0.120 0.000 0.834 186 P CB 0.616 32.197 31.700 -0.198 0.000 1.150 187 P HA 0.129 nan 4.420 nan 0.000 0.274 187 P C 0.655 177.984 177.300 0.048 0.000 1.246 187 P CA 0.444 63.551 63.100 0.013 0.000 0.795 187 P CB 0.097 31.804 31.700 0.011 0.000 1.006 188 G N 0.152 108.993 108.800 0.069 0.000 2.159 188 G HA2 -0.279 3.400 3.960 -0.468 0.000 0.256 188 G HA3 -0.279 3.400 3.960 -0.468 0.000 0.256 188 G C 1.061 176.017 174.900 0.093 0.000 0.977 188 G CA 0.473 45.626 45.100 0.088 0.000 0.652 188 G HN 0.715 nan 8.290 nan 0.000 0.531 189 A N -0.376 122.469 122.820 0.041 0.000 1.972 189 A HA 0.260 4.299 4.320 -0.468 0.000 0.219 189 A C 2.550 180.164 177.584 0.050 0.000 1.169 189 A CA 2.444 54.396 52.037 -0.142 0.000 0.635 189 A CB -0.304 18.427 19.000 -0.447 0.000 0.810 189 A HN 1.122 nan 8.150 nan 0.000 0.446 190 V N 0.610 120.647 119.914 0.205 0.000 2.427 190 V HA -0.227 3.612 4.120 -0.468 0.000 0.248 190 V C 2.041 178.244 176.094 0.182 0.000 1.051 190 V CA 2.105 64.576 62.300 0.285 0.000 1.048 190 V CB -0.767 31.244 31.823 0.313 0.000 0.666 190 V HN 0.493 nan 8.190 nan 0.000 0.456 191 D N -0.322 120.151 120.400 0.121 0.000 2.144 191 D HA -0.216 4.143 4.640 -0.468 0.000 0.199 191 D C 2.051 178.397 176.300 0.078 0.000 0.984 191 D CA 1.611 55.663 54.000 0.087 0.000 0.834 191 D CB -0.239 40.606 40.800 0.075 0.000 0.955 191 D HN 0.431 nan 8.370 nan 0.000 0.465 192 M N 0.773 120.406 119.600 0.056 0.000 2.117 192 M HA -0.164 4.035 4.480 -0.468 0.000 0.262 192 M C 1.716 178.043 176.300 0.045 0.000 1.065 192 M CA 1.453 56.775 55.300 0.036 0.000 1.114 192 M CB 0.154 32.706 32.600 -0.080 0.000 1.361 192 M HN -0.182 nan 8.290 nan 0.000 0.408 193 E N 0.705 120.927 120.200 0.037 0.000 2.077 193 E HA -0.193 3.876 4.350 -0.468 0.000 0.193 193 E C 2.009 178.726 176.600 0.196 0.000 0.989 193 E CA 1.663 58.084 56.400 0.034 0.000 0.800 193 E CB -0.513 29.144 29.700 -0.073 0.000 0.746 193 E HN 0.647 nan 8.360 nan 0.000 0.452 194 I N 1.604 122.284 120.570 0.184 0.000 2.142 194 I HA -0.261 3.628 4.170 -0.468 0.000 0.240 194 I C 2.006 178.157 176.117 0.057 0.000 1.078 194 I CA 1.237 62.563 61.300 0.044 0.000 1.343 194 I CB -0.229 37.736 38.000 -0.058 0.000 1.046 194 I HN -0.061 nan 8.210 nan 0.000 0.405 195 D N 0.400 120.839 120.400 0.065 0.000 2.117 195 D HA -0.134 4.225 4.640 -0.468 0.000 0.197 195 D C 2.354 178.707 176.300 0.088 0.000 0.987 195 D CA 1.148 55.188 54.000 0.067 0.000 0.829 195 D CB -0.318 40.532 40.800 0.083 0.000 0.961 195 D HN 0.120 nan 8.370 nan 0.000 0.460 196 V N 0.461 120.439 119.914 0.105 0.000 2.358 196 V HA -0.250 3.589 4.120 -0.468 0.000 0.246 196 V C 2.159 178.259 176.094 0.009 0.000 1.047 196 V CA 1.249 63.601 62.300 0.086 0.000 1.035 196 V CB -0.618 31.253 31.823 0.080 0.000 0.658 196 V HN 0.180 nan 8.190 nan 0.000 0.452 197 Y N 1.426 121.692 120.300 -0.057 0.000 2.128 197 Y HA -0.287 3.981 4.550 -0.470 0.000 0.284 197 Y C 2.721 178.578 175.900 -0.071 0.000 1.154 197 Y CA 1.959 60.021 58.100 -0.063 0.000 1.149 197 Y CB -0.217 38.271 38.460 0.046 0.000 0.976 197 Y HN 0.110 nan 8.280 nan 0.000 0.505 198 R N -0.108 120.383 120.500 -0.014 0.000 2.081 198 R HA -0.166 3.893 4.340 -0.468 0.000 0.235 198 R C 2.290 178.517 176.300 -0.123 0.000 1.131 198 R CA 1.997 58.039 56.100 -0.097 0.000 0.960 198 R CB -0.550 29.728 30.300 -0.037 0.000 0.856 198 R HN 0.411 nan 8.270 nan 0.000 0.436 199 I N 0.677 121.229 120.570 -0.030 0.000 2.127 199 I HA -0.313 3.576 4.170 -0.468 0.000 0.241 199 I C 2.310 178.463 176.117 0.060 0.000 1.075 199 I CA 1.475 62.813 61.300 0.063 0.000 1.334 199 I CB -0.273 37.838 38.000 0.185 0.000 1.040 199 I HN 0.124 nan 8.210 nan 0.000 0.405 200 I N 0.088 120.637 120.570 -0.034 0.000 2.163 200 I HA -0.297 3.592 4.170 -0.468 0.000 0.243 200 I C 2.642 178.692 176.117 -0.111 0.000 1.085 200 I CA 1.295 62.570 61.300 -0.042 0.000 1.347 200 I CB -0.416 37.468 38.000 -0.193 0.000 1.044 200 I HN 0.192 nan 8.210 nan 0.000 0.408 201 R N 0.184 120.492 120.500 -0.319 0.000 2.148 201 R HA -0.054 4.005 4.340 -0.468 0.000 0.223 201 R C 2.231 178.405 176.300 -0.211 0.000 1.088 201 R CA 1.186 57.102 56.100 -0.307 0.000 0.985 201 R CB -0.832 29.182 30.300 -0.476 0.000 0.880 201 R HN 0.376 nan 8.270 nan 0.000 0.451 202 T N 0.286 114.681 114.554 -0.265 0.000 2.684 202 T HA -0.147 3.922 4.350 -0.468 0.000 0.267 202 T C 1.214 175.652 174.700 -0.438 0.000 1.036 202 T CA 1.519 63.372 62.100 -0.412 0.000 1.148 202 T CB -0.195 68.280 68.868 -0.655 0.000 0.863 202 T HN 0.268 nan 8.240 nan 0.000 0.436 203 Y N 0.185 120.466 120.300 -0.032 0.000 2.481 203 Y HA 0.598 4.866 4.550 -0.470 0.000 0.258 203 Y C 1.281 177.183 175.900 0.002 0.000 1.103 203 Y CA -0.521 57.569 58.100 -0.016 0.000 1.287 203 Y CB 0.512 38.964 38.460 -0.014 0.000 1.108 203 Y HN 0.127 nan 8.280 nan 0.000 0.529 204 A N 0.430 123.320 122.820 0.116 0.000 3.266 204 A HA 0.417 4.456 4.320 -0.468 0.000 0.310 204 A C -2.157 175.414 177.584 -0.022 0.000 1.066 204 A CA -1.013 51.069 52.037 0.075 0.000 0.839 204 A CB 0.228 19.339 19.000 0.185 0.000 1.192 204 A HN -0.068 nan 8.150 nan 0.000 0.496 205 P HA -0.098 nan 4.420 nan 0.000 0.222 205 P C 0.628 177.911 177.300 -0.028 0.000 1.147 205 P CA 1.332 64.408 63.100 -0.039 0.000 0.790 205 P CB 0.377 32.065 31.700 -0.020 0.000 0.780 206 E N -1.743 118.437 120.200 -0.033 0.000 2.562 206 E HA 0.095 4.164 4.350 -0.468 0.000 0.214 206 E C -0.118 176.438 176.600 -0.072 0.000 0.979 206 E CA 0.019 56.404 56.400 -0.024 0.000 1.002 206 E CB 0.270 29.968 29.700 -0.004 0.000 1.048 206 E HN 0.085 nan 8.360 nan 0.000 0.488 207 T N 3.549 118.009 114.554 -0.157 0.000 2.794 207 T HA 0.181 4.250 4.350 -0.468 0.000 0.296 207 T C -2.478 172.046 174.700 -0.293 0.000 0.949 207 T CA -1.449 60.460 62.100 -0.318 0.000 1.101 207 T CB 0.971 69.467 68.868 -0.620 0.000 0.905 207 T HN -0.106 nan 8.240 nan 0.000 0.516 208 P HA 0.150 nan 4.420 nan 0.000 0.265 208 P C -0.944 176.153 177.300 -0.339 0.000 1.193 208 P CA -0.164 62.708 63.100 -0.381 0.000 0.765 208 P CB 0.438 31.575 31.700 -0.939 0.000 0.823 209 V N 5.190 125.009 119.914 -0.158 0.000 2.448 209 V HA 0.339 4.178 4.120 -0.468 0.000 0.295 209 V C 0.079 176.087 176.094 -0.143 0.000 1.025 209 V CA -0.559 61.654 62.300 -0.146 0.000 0.859 209 V CB 1.458 33.252 31.823 -0.048 0.000 0.988 209 V HN 0.319 nan 8.190 nan 0.000 0.431 210 L N 6.006 127.109 121.223 -0.200 0.000 2.287 210 L HA 0.606 4.665 4.340 -0.468 0.000 0.287 210 L C -0.571 176.137 176.870 -0.271 0.000 1.022 210 L CA -0.364 54.364 54.840 -0.187 0.000 0.814 210 L CB 1.336 43.258 42.059 -0.228 0.000 1.217 210 L HN 0.396 nan 8.230 nan 0.000 0.420 211 L N 3.606 124.605 121.223 -0.372 0.000 2.344 211 L HA 0.502 4.561 4.340 -0.468 0.000 0.272 211 L C 0.313 176.837 176.870 -0.576 0.000 1.035 211 L CA -0.401 54.005 54.840 -0.724 0.000 0.807 211 L CB 1.194 42.495 42.059 -1.264 0.000 1.237 211 L HN 0.588 nan 8.230 nan 0.000 0.442 212 F N -0.274 119.454 119.950 -0.369 0.000 2.545 212 F HA -0.380 3.859 4.527 -0.479 0.000 0.690 212 F C 1.447 177.001 175.800 -0.410 0.000 0.488 212 F CA 1.008 58.679 58.000 -0.549 0.000 0.791 212 F CB -1.634 36.548 39.000 -1.363 0.000 1.653 212 F HN 0.558 nan 8.300 nan 0.000 0.266 213 S N -0.457 115.121 115.700 -0.203 0.000 3.628 213 S HA -0.237 3.952 4.470 -0.468 0.000 0.373 213 S C -0.394 174.118 174.600 -0.146 0.000 0.968 213 S CA 0.535 58.643 58.200 -0.153 0.000 1.215 213 S CB -1.822 61.346 63.200 -0.053 0.000 0.912 213 S HN 0.436 nan 8.310 nan 0.000 0.495 214 Y N 0.385 120.700 120.300 0.025 0.000 2.632 214 Y HA 0.261 4.514 4.550 -0.495 0.000 0.329 214 Y C 1.520 177.507 175.900 0.145 0.000 1.174 214 Y CA -0.012 58.156 58.100 0.113 0.000 1.469 214 Y CB 0.022 38.488 38.460 0.010 0.000 1.242 214 Y HN 0.435 nan 8.280 nan 0.000 0.540 215 A N 3.189 126.284 122.820 0.458 0.000 1.873 215 A HA 0.039 4.078 4.320 -0.468 0.000 0.215 215 A C 0.535 178.485 177.584 0.611 0.000 1.186 215 A CA 1.183 53.560 52.037 0.566 0.000 0.616 215 A CB -0.198 19.217 19.000 0.693 0.000 0.823 215 A HN 0.441 nan 8.150 nan 0.000 0.442 216 V N -0.327 119.903 119.914 0.526 0.000 2.380 216 V HA 0.467 4.306 4.120 -0.468 0.000 0.286 216 V C -1.332 174.993 176.094 0.385 0.000 1.015 216 V CA -0.275 62.276 62.300 0.417 0.000 0.834 216 V CB 0.949 32.971 31.823 0.331 0.000 1.009 216 V HN 0.365 nan 8.190 nan 0.000 0.428 217 F N 4.379 124.431 119.950 0.170 0.000 2.676 217 F HA 0.839 5.081 4.527 -0.475 0.000 0.371 217 F C 0.235 176.040 175.800 0.008 0.000 1.141 217 F CA -0.746 57.282 58.000 0.046 0.000 1.133 217 F CB 1.328 40.408 39.000 0.134 0.000 1.376 217 F HN 0.521 nan 8.300 nan 0.000 0.491 218 G N 2.296 110.912 108.800 -0.305 0.000 2.706 218 G HA2 0.599 4.278 3.960 -0.468 0.000 0.297 218 G HA3 0.599 4.278 3.960 -0.468 0.000 0.297 218 G C -0.353 174.364 174.900 -0.305 0.000 1.403 218 G CA -0.287 44.640 45.100 -0.289 0.000 0.954 218 G HN 1.304 nan 8.290 nan 0.000 0.500 219 G N 0.345 108.973 108.800 -0.286 0.000 2.829 219 G HA2 -0.191 3.488 3.960 -0.468 0.000 0.628 219 G HA3 -0.191 3.488 3.960 -0.468 0.000 0.628 219 G C 0.788 175.543 174.900 -0.241 0.000 1.412 219 G CA 0.193 45.162 45.100 -0.219 0.000 0.864 219 G HN 0.857 nan 8.290 nan 0.000 0.544 220 K N 0.400 120.700 120.400 -0.167 0.000 2.152 220 K HA -0.076 3.963 4.320 -0.468 0.000 0.206 220 K C 2.829 179.348 176.600 -0.135 0.000 1.048 220 K CA 1.685 57.887 56.287 -0.142 0.000 0.933 220 K CB -0.366 32.077 32.500 -0.096 0.000 0.721 220 K HN 0.730 nan 8.250 nan 0.000 0.447 221 G N 0.954 109.680 108.800 -0.124 0.000 2.421 221 G HA2 -0.239 3.440 3.960 -0.468 0.000 0.216 221 G HA3 -0.239 3.440 3.960 -0.468 0.000 0.216 221 G C 1.573 176.396 174.900 -0.128 0.000 1.171 221 G CA 1.015 46.053 45.100 -0.103 0.000 0.775 221 G HN 0.421 nan 8.290 nan 0.000 0.543 222 G N 1.072 109.759 108.800 -0.189 0.000 2.418 222 G HA2 0.034 3.713 3.960 -0.468 0.000 0.217 222 G HA3 0.034 3.713 3.960 -0.468 0.000 0.217 222 G C 2.055 176.850 174.900 -0.174 0.000 1.158 222 G CA 1.584 46.552 45.100 -0.221 0.000 0.771 222 G HN 0.659 nan 8.290 nan 0.000 0.545 223 A N 1.185 123.861 122.820 -0.241 0.000 1.902 223 A HA 0.277 4.316 4.320 -0.468 0.000 0.217 223 A C 2.828 180.387 177.584 -0.042 0.000 1.181 223 A CA 2.266 54.265 52.037 -0.064 0.000 0.623 223 A CB -0.823 18.109 19.000 -0.113 0.000 0.818 223 A HN 0.799 nan 8.150 nan 0.000 0.443 224 A N -0.343 122.431 122.820 -0.075 0.000 1.933 224 A HA -0.148 3.891 4.320 -0.468 0.000 0.218 224 A C 1.936 179.476 177.584 -0.073 0.000 1.175 224 A CA 1.671 53.671 52.037 -0.061 0.000 0.628 224 A CB -0.399 18.567 19.000 -0.056 0.000 0.814 224 A HN 0.494 nan 8.150 nan 0.000 0.444 225 E N -0.031 120.114 120.200 -0.093 0.000 2.106 225 E HA -0.093 3.976 4.350 -0.468 0.000 0.192 225 E C 2.331 178.822 176.600 -0.181 0.000 0.984 225 E CA 1.134 57.466 56.400 -0.114 0.000 0.806 225 E CB -0.592 29.039 29.700 -0.115 0.000 0.750 225 E HN 0.581 nan 8.360 nan 0.000 0.458 226 A N 1.356 124.043 122.820 -0.221 0.000 1.933 226 A HA -0.128 3.911 4.320 -0.468 0.000 0.218 226 A C 2.349 179.790 177.584 -0.238 0.000 1.175 226 A CA 0.974 52.821 52.037 -0.317 0.000 0.628 226 A CB -0.687 18.165 19.000 -0.247 0.000 0.814 226 A HN 0.165 nan 8.150 nan 0.000 0.444 227 L N -0.794 120.341 121.223 -0.147 0.000 2.201 227 L HA -0.192 3.867 4.340 -0.468 0.000 0.212 227 L C 2.488 179.294 176.870 -0.106 0.000 1.105 227 L CA 1.398 56.155 54.840 -0.139 0.000 0.775 227 L CB -0.345 41.672 42.059 -0.070 0.000 0.913 227 L HN 0.372 nan 8.230 nan 0.000 0.440 228 K N -0.070 120.278 120.400 -0.087 0.000 2.032 228 K HA -0.194 3.845 4.320 -0.468 0.000 0.209 228 K C 1.706 178.283 176.600 -0.038 0.000 1.048 228 K CA 1.716 57.975 56.287 -0.047 0.000 0.927 228 K CB -0.220 32.258 32.500 -0.036 0.000 0.712 228 K HN 0.247 nan 8.250 nan 0.000 0.441 229 D N 0.876 121.207 120.400 -0.115 0.000 2.117 229 D HA -0.123 4.236 4.640 -0.468 0.000 0.197 229 D C 1.938 178.256 176.300 0.030 0.000 0.987 229 D CA 1.029 54.961 54.000 -0.114 0.000 0.829 229 D CB -0.235 40.282 40.800 -0.473 0.000 0.961 229 D HN 0.161 nan 8.370 nan 0.000 0.460 230 I N 0.679 121.204 120.570 -0.075 0.000 2.179 230 I HA -0.253 3.636 4.170 -0.468 0.000 0.242 230 I C 2.552 178.775 176.117 0.177 0.000 1.088 230 I CA 1.088 62.441 61.300 0.089 0.000 1.357 230 I CB -0.085 37.734 38.000 -0.301 0.000 1.051 230 I HN -0.082 nan 8.210 nan 0.000 0.409 231 R N 0.521 121.060 120.500 0.065 0.000 2.081 231 R HA -0.141 3.918 4.340 -0.468 0.000 0.235 231 R C 2.449 178.838 176.300 0.148 0.000 1.131 231 R CA 1.492 57.656 56.100 0.107 0.000 0.960 231 R CB -0.482 29.852 30.300 0.058 0.000 0.856 231 R HN 0.379 nan 8.270 nan 0.000 0.436 232 A N 0.904 123.810 122.820 0.143 0.000 1.877 232 A HA -0.208 3.831 4.320 -0.468 0.000 0.216 232 A C 1.974 179.658 177.584 0.168 0.000 1.186 232 A CA 1.218 53.338 52.037 0.138 0.000 0.620 232 A CB -0.699 18.379 19.000 0.131 0.000 0.822 232 A HN 0.381 nan 8.150 nan 0.000 0.443 233 F N 1.526 121.549 119.950 0.121 0.000 2.069 233 F HA -0.255 3.991 4.527 -0.469 0.000 0.298 233 F C 2.056 177.869 175.800 0.020 0.000 1.113 233 F CA 2.272 60.318 58.000 0.077 0.000 1.214 233 F CB -0.281 38.826 39.000 0.178 0.000 0.978 233 F HN 0.213 nan 8.300 nan 0.000 0.474 234 N N 0.729 119.613 118.700 0.307 0.000 2.120 234 N HA -0.199 4.260 4.740 -0.468 0.000 0.188 234 N C 1.806 177.385 175.510 0.116 0.000 1.024 234 N CA 1.435 54.685 53.050 0.334 0.000 0.852 234 N CB -0.533 38.263 38.487 0.515 0.000 1.003 234 N HN 0.216 nan 8.380 nan 0.000 0.424 235 K N 1.266 121.716 120.400 0.083 0.000 2.057 235 K HA 0.060 4.099 4.320 -0.468 0.000 0.207 235 K C 1.739 178.311 176.600 -0.046 0.000 1.049 235 K CA 1.417 57.729 56.287 0.041 0.000 0.931 235 K CB -0.645 31.883 32.500 0.047 0.000 0.714 235 K HN 0.110 nan 8.250 nan 0.000 0.440 236 A N -0.267 122.475 122.820 -0.129 0.000 1.898 236 A HA -0.044 3.995 4.320 -0.468 0.000 0.216 236 A C 2.254 179.658 177.584 -0.301 0.000 1.181 236 A CA 1.777 53.703 52.037 -0.186 0.000 0.620 236 A CB -0.406 18.480 19.000 -0.190 0.000 0.819 236 A HN 0.130 nan 8.150 nan 0.000 0.442 237 V N -2.307 117.265 119.914 -0.569 0.000 2.685 237 V HA 0.035 3.874 4.120 -0.468 0.000 0.244 237 V C 1.557 177.270 176.094 -0.635 0.000 1.054 237 V CA 1.211 63.026 62.300 -0.807 0.000 1.076 237 V CB -0.545 30.288 31.823 -1.650 0.000 0.725 237 V HN 0.521 nan 8.190 nan 0.000 0.467 238 F N 0.104 120.000 119.950 -0.091 0.000 2.706 238 F HA 0.544 4.791 4.527 -0.468 0.000 0.308 238 F C 1.839 177.650 175.800 0.019 0.000 1.095 238 F CA 0.168 58.172 58.000 0.006 0.000 1.244 238 F CB -0.058 38.988 39.000 0.076 0.000 1.063 238 F HN 0.204 nan 8.300 nan 0.000 0.582 239 G N 1.362 110.236 108.800 0.123 0.000 2.148 239 G HA2 -0.308 3.371 3.960 -0.468 0.000 0.254 239 G HA3 -0.308 3.371 3.960 -0.468 0.000 0.254 239 G C -0.118 174.844 174.900 0.104 0.000 0.981 239 G CA 0.356 45.508 45.100 0.088 0.000 0.670 239 G HN 0.452 nan 8.290 nan 0.000 0.528 240 N N -0.381 118.408 118.700 0.149 0.000 2.503 240 N HA 0.295 4.754 4.740 -0.468 0.000 0.287 240 N C 0.734 176.345 175.510 0.167 0.000 1.096 240 N CA -0.246 52.884 53.050 0.134 0.000 0.936 240 N CB 1.051 39.614 38.487 0.128 0.000 1.570 240 N HN 0.137 nan 8.380 nan 0.000 0.504 241 E N 1.105 121.382 120.200 0.128 0.000 2.209 241 E HA -0.074 3.995 4.350 -0.468 0.000 0.196 241 E C -0.113 176.590 176.600 0.173 0.000 0.993 241 E CA 0.861 57.346 56.400 0.141 0.000 0.819 241 E CB 0.139 29.896 29.700 0.095 0.000 0.745 241 E HN 0.464 nan 8.360 nan 0.000 0.477 242 N N 0.498 119.285 118.700 0.145 0.000 2.453 242 N HA 0.169 4.628 4.740 -0.468 0.000 0.270 242 N C -0.671 174.895 175.510 0.092 0.000 1.195 242 N CA -0.010 53.118 53.050 0.129 0.000 0.902 242 N CB 0.814 39.337 38.487 0.060 0.000 1.186 242 N HN 0.008 nan 8.380 nan 0.000 0.510 243 A N 0.323 123.242 122.820 0.165 0.000 2.531 243 A HA 0.173 4.212 4.320 -0.468 0.000 0.236 243 A C 0.521 178.061 177.584 -0.074 0.000 1.062 243 A CA 0.029 52.115 52.037 0.081 0.000 0.760 243 A CB 0.431 19.542 19.000 0.185 0.000 0.995 243 A HN 0.087 nan 8.150 nan 0.000 0.501 244 V N 4.309 124.145 119.914 -0.130 0.000 2.339 244 V HA 0.095 3.934 4.120 -0.468 0.000 0.261 244 V C -0.346 175.722 176.094 -0.044 0.000 1.058 244 V CA -0.621 61.567 62.300 -0.187 0.000 0.897 244 V CB -0.214 31.519 31.823 -0.150 0.000 1.052 244 V HN 0.795 nan 8.190 nan 0.000 0.480 245 W N 3.568 124.794 121.300 -0.124 0.000 2.210 245 W HA 0.242 4.619 4.660 -0.473 0.000 0.330 245 W C 1.476 177.942 176.519 -0.089 0.000 1.334 245 W CA -0.137 57.153 57.345 -0.092 0.000 1.227 245 W CB -0.009 29.488 29.460 0.060 0.000 1.178 245 W HN 0.727 nan 8.180 nan 0.000 0.560 246 T N -1.886 112.763 114.554 0.159 0.000 2.990 246 T HA 0.052 4.121 4.350 -0.468 0.000 0.250 246 T C 0.579 175.354 174.700 0.124 0.000 1.041 246 T CA 0.330 62.485 62.100 0.091 0.000 1.010 246 T CB 0.096 68.998 68.868 0.056 0.000 1.003 246 T HN 0.286 nan 8.240 nan 0.000 0.499 247 N N 0.655 119.473 118.700 0.196 0.000 2.498 247 N HA 0.245 4.704 4.740 -0.468 0.000 0.272 247 N C -1.647 174.114 175.510 0.417 0.000 1.534 247 N CA -0.128 53.117 53.050 0.324 0.000 0.873 247 N CB 0.781 39.413 38.487 0.241 0.000 1.415 247 N HN 0.325 nan 8.380 nan 0.000 0.496 248 E N -0.250 120.136 120.200 0.311 0.000 2.383 248 E HA 0.895 4.964 4.350 -0.468 0.000 0.275 248 E C -1.258 175.498 176.600 0.260 0.000 0.918 248 E CA -0.899 55.562 56.400 0.101 0.000 0.764 248 E CB 2.063 31.436 29.700 -0.546 0.000 1.252 248 E HN 0.191 nan 8.360 nan 0.000 0.449 249 A N 0.556 123.521 122.820 0.241 0.000 2.606 249 A HA 0.630 4.669 4.320 -0.468 0.000 0.293 249 A C -1.309 176.464 177.584 0.315 0.000 1.082 249 A CA -0.744 51.563 52.037 0.450 0.000 0.685 249 A CB 1.249 20.556 19.000 0.512 0.000 1.284 249 A HN 0.324 nan 8.150 nan 0.000 0.408 250 V N 1.683 121.883 119.914 0.475 0.000 2.427 250 V HA 0.469 4.308 4.120 -0.468 0.000 0.268 250 V C 0.929 177.224 176.094 0.335 0.000 1.046 250 V CA 0.284 62.791 62.300 0.345 0.000 0.970 250 V CB 0.577 32.605 31.823 0.342 0.000 1.001 250 V HN 1.219 nan 8.190 nan 0.000 0.476 251 A N 6.852 129.771 122.820 0.166 0.000 2.366 251 A HA 0.802 4.841 4.320 -0.468 0.000 0.272 251 A C -0.544 177.153 177.584 0.188 0.000 1.135 251 A CA -0.217 51.905 52.037 0.143 0.000 0.804 251 A CB 0.080 19.072 19.000 -0.014 0.000 1.064 251 A HN 0.952 nan 8.150 nan 0.000 0.499 252 F N -0.041 119.989 119.950 0.133 0.000 2.643 252 F HA 0.731 4.972 4.527 -0.475 0.000 0.314 252 F C -0.501 175.533 175.800 0.389 0.000 1.096 252 F CA -1.041 57.053 58.000 0.156 0.000 0.953 252 F CB 0.873 39.912 39.000 0.065 0.000 1.345 252 F HN 0.634 nan 8.300 nan 0.000 0.468 253 H N -0.872 118.330 119.070 0.221 0.000 2.693 253 H HA 0.546 4.826 4.556 -0.461 0.000 0.348 253 H C 0.105 175.518 175.328 0.141 0.000 1.222 253 H CA -1.017 55.082 56.048 0.085 0.000 1.270 253 H CB 2.190 32.101 29.762 0.248 0.000 1.798 253 H HN 1.011 nan 8.280 nan 0.000 0.592 254 G N -0.235 108.526 108.800 -0.065 0.000 3.337 254 G HA2 -0.035 3.644 3.960 -0.468 0.000 0.246 254 G HA3 -0.035 3.644 3.960 -0.468 0.000 0.246 254 G C -0.114 174.749 174.900 -0.062 0.000 1.131 254 G CA -0.116 44.978 45.100 -0.009 0.000 0.773 254 G HN 0.491 nan 8.290 nan 0.000 0.544 255 Y N 0.697 121.161 120.300 0.273 0.000 2.578 255 Y HA 0.229 4.498 4.550 -0.468 0.000 0.297 255 Y C 2.536 178.514 175.900 0.130 0.000 1.176 255 Y CA -0.009 58.192 58.100 0.168 0.000 1.315 255 Y CB 0.079 38.604 38.460 0.107 0.000 1.031 255 Y HN 0.266 nan 8.280 nan 0.000 0.524 256 A N 0.066 123.025 122.820 0.233 0.000 2.209 256 A HA 0.397 4.436 4.320 -0.468 0.000 0.212 256 A C 1.555 179.189 177.584 0.083 0.000 1.158 256 A CA 0.912 53.029 52.037 0.134 0.000 0.742 256 A CB -0.940 18.114 19.000 0.090 0.000 0.790 256 A HN 0.492 nan 8.150 nan 0.000 0.472 257 G N -2.033 106.840 108.800 0.122 0.000 2.690 257 G HA2 -0.209 3.470 3.960 -0.468 0.000 0.686 257 G HA3 -0.209 3.470 3.960 -0.468 0.000 0.686 257 G C 0.466 175.434 174.900 0.114 0.000 1.277 257 G CA -0.138 45.025 45.100 0.106 0.000 0.799 257 G HN 1.046 nan 8.290 nan 0.000 0.613 258 W N 0.603 121.952 121.300 0.081 0.000 2.381 258 W HA -0.098 4.281 4.660 -0.469 0.000 0.301 258 W C 1.650 178.200 176.519 0.051 0.000 1.205 258 W CA 1.842 59.234 57.345 0.079 0.000 1.285 258 W CB -0.635 28.880 29.460 0.091 0.000 1.133 258 W HN 0.646 nan 8.180 nan 0.000 0.521 259 Q N 0.986 120.339 119.800 -0.745 0.000 2.016 259 Q HA -0.169 3.890 4.340 -0.468 0.000 0.200 259 Q C 2.209 178.027 176.000 -0.304 0.000 0.978 259 Q CA 2.156 57.486 55.803 -0.789 0.000 0.833 259 Q CB -0.577 27.571 28.738 -0.983 0.000 0.895 259 Q HN 0.152 nan 8.270 nan 0.000 0.427 260 E N -0.074 119.978 120.200 -0.247 0.000 2.106 260 E HA -0.099 3.970 4.350 -0.468 0.000 0.192 260 E C 2.069 178.575 176.600 -0.156 0.000 0.984 260 E CA 1.403 57.699 56.400 -0.174 0.000 0.806 260 E CB -0.356 29.261 29.700 -0.139 0.000 0.750 260 E HN 0.375 nan 8.360 nan 0.000 0.458 261 T N 0.826 115.341 114.554 -0.065 0.000 2.746 261 T HA -0.104 3.965 4.350 -0.468 0.000 0.267 261 T C 1.949 176.608 174.700 -0.068 0.000 1.039 261 T CA 1.751 63.832 62.100 -0.031 0.000 1.142 261 T CB -0.407 68.564 68.868 0.172 0.000 0.866 261 T HN 0.171 nan 8.240 nan 0.000 0.444 262 T N 2.230 116.796 114.554 0.020 0.000 2.684 262 T HA -0.010 4.059 4.350 -0.468 0.000 0.267 262 T C 1.974 176.638 174.700 -0.060 0.000 1.036 262 T CA 0.999 63.122 62.100 0.038 0.000 1.148 262 T CB -0.453 68.512 68.868 0.161 0.000 0.863 262 T HN 0.332 nan 8.240 nan 0.000 0.436 263 I N 1.259 121.766 120.570 -0.106 0.000 2.179 263 I HA -0.204 3.685 4.170 -0.468 0.000 0.242 263 I C 2.909 178.895 176.117 -0.219 0.000 1.088 263 I CA 1.223 62.440 61.300 -0.138 0.000 1.357 263 I CB -0.484 37.429 38.000 -0.145 0.000 1.051 263 I HN 0.197 nan 8.210 nan 0.000 0.409 264 A N 0.349 122.944 122.820 -0.374 0.000 1.902 264 A HA -0.145 3.894 4.320 -0.468 0.000 0.217 264 A C 2.435 179.757 177.584 -0.436 0.000 1.181 264 A CA 1.738 53.387 52.037 -0.647 0.000 0.623 264 A CB -0.958 17.194 19.000 -1.414 0.000 0.818 264 A HN 0.238 nan 8.150 nan 0.000 0.443 265 V N 0.086 119.817 119.914 -0.305 0.000 2.295 265 V HA -0.294 3.545 4.120 -0.468 0.000 0.246 265 V C 2.409 178.464 176.094 -0.065 0.000 1.049 265 V CA 2.354 64.574 62.300 -0.133 0.000 1.024 265 V CB -0.947 30.768 31.823 -0.180 0.000 0.648 265 V HN 0.644 nan 8.190 nan 0.000 0.447 266 E N -0.336 119.820 120.200 -0.073 0.000 2.097 266 E HA -0.243 3.826 4.350 -0.468 0.000 0.196 266 E C 2.338 178.912 176.600 -0.044 0.000 1.000 266 E CA 1.438 57.811 56.400 -0.045 0.000 0.804 266 E CB -0.133 29.542 29.700 -0.041 0.000 0.740 266 E HN 0.564 nan 8.360 nan 0.000 0.454 267 E N 0.430 120.590 120.200 -0.066 0.000 2.072 267 E HA -0.153 3.916 4.350 -0.468 0.000 0.191 267 E C 2.127 178.721 176.600 -0.010 0.000 0.985 267 E CA 0.514 56.883 56.400 -0.051 0.000 0.801 267 E CB -0.203 29.446 29.700 -0.084 0.000 0.750 267 E HN 0.150 nan 8.360 nan 0.000 0.452 268 L N 0.871 122.109 121.223 0.025 0.000 2.093 268 L HA -0.089 3.970 4.340 -0.468 0.000 0.208 268 L C 2.258 179.168 176.870 0.068 0.000 1.085 268 L CA 1.238 56.134 54.840 0.094 0.000 0.755 268 L CB -0.601 41.572 42.059 0.190 0.000 0.904 268 L HN 0.072 nan 8.230 nan 0.000 0.435 269 L N -0.979 120.261 121.223 0.028 0.000 2.083 269 L HA -0.241 3.818 4.340 -0.468 0.000 0.209 269 L C 2.478 179.327 176.870 -0.036 0.000 1.083 269 L CA 1.276 56.114 54.840 -0.003 0.000 0.752 269 L CB -0.532 41.523 42.059 -0.006 0.000 0.899 269 L HN 0.235 nan 8.230 nan 0.000 0.433 270 K N 0.115 120.497 120.400 -0.029 0.000 2.147 270 K HA -0.100 3.939 4.320 -0.468 0.000 0.205 270 K C 1.999 178.567 176.600 -0.053 0.000 1.049 270 K CA 1.240 57.502 56.287 -0.042 0.000 0.936 270 K CB -0.172 32.308 32.500 -0.033 0.000 0.722 270 K HN 0.268 nan 8.250 nan 0.000 0.446 271 A N 0.313 123.116 122.820 -0.028 0.000 2.206 271 A HA 0.147 4.186 4.320 -0.468 0.000 0.211 271 A C 1.318 178.808 177.584 -0.157 0.000 1.158 271 A CA 0.919 52.944 52.037 -0.019 0.000 0.761 271 A CB -0.256 18.798 19.000 0.091 0.000 0.801 271 A HN 0.415 nan 8.150 nan 0.000 0.473 272 G N -2.586 106.073 108.800 -0.236 0.000 2.131 272 G HA2 -0.228 3.451 3.960 -0.468 0.000 0.223 272 G HA3 -0.228 3.451 3.960 -0.468 0.000 0.223 272 G C -0.319 174.117 174.900 -0.773 0.000 0.990 272 G CA 0.108 44.930 45.100 -0.463 0.000 0.671 272 G HN 0.409 nan 8.290 nan 0.000 0.521 273 Y N 0.721 120.884 120.300 -0.228 0.000 2.328 273 Y HA 0.524 4.796 4.550 -0.463 0.000 0.336 273 Y C -1.947 173.911 175.900 -0.070 0.000 0.960 273 Y CA -2.588 55.327 58.100 -0.309 0.000 1.134 273 Y CB 2.045 40.235 38.460 -0.450 0.000 1.166 273 Y HN -0.018 nan 8.280 nan 0.000 0.464 274 P HA 0.168 nan 4.420 nan 0.000 0.272 274 P C -0.523 176.956 177.300 0.299 0.000 1.230 274 P CA -0.124 63.072 63.100 0.159 0.000 0.788 274 P CB 0.928 32.679 31.700 0.086 0.000 0.949 275 C N 1.066 120.533 119.300 0.279 0.000 2.913 275 C HA 0.723 4.902 4.460 -0.468 0.000 0.322 275 C C -0.782 174.512 174.990 0.507 0.000 1.292 275 C CA -0.149 59.119 59.018 0.418 0.000 1.649 275 C CB 1.317 29.262 27.740 0.342 0.000 2.139 275 C HN 0.528 nan 8.230 nan 0.000 0.475 276 F N 2.398 122.610 119.950 0.436 0.000 2.722 276 F HA 0.500 4.746 4.527 -0.468 0.000 0.336 276 F C -0.528 175.224 175.800 -0.080 0.000 1.216 276 F CA -0.916 57.214 58.000 0.215 0.000 1.065 276 F CB 1.131 40.237 39.000 0.177 0.000 1.325 276 F HN 0.606 nan 8.300 nan 0.000 0.524 277 M N 5.146 124.731 119.600 -0.025 0.000 2.217 277 M HA 0.281 4.480 4.480 -0.468 0.000 0.352 277 M C 0.553 176.822 176.300 -0.052 0.000 1.376 277 M CA 0.867 55.812 55.300 -0.591 0.000 1.107 277 M CB 0.518 32.810 32.600 -0.514 0.000 1.723 277 M HN 0.655 nan 8.290 nan 0.000 0.461 278 T N 0.860 115.346 114.554 -0.113 0.000 3.003 278 T HA 0.380 4.449 4.350 -0.468 0.000 0.261 278 T C 0.094 174.727 174.700 -0.112 0.000 1.003 278 T CA -0.191 61.837 62.100 -0.119 0.000 0.917 278 T CB -0.098 68.659 68.868 -0.186 0.000 1.084 278 T HN 0.753 nan 8.240 nan 0.000 0.522 279 E N 0.131 120.230 120.200 -0.169 0.000 2.506 279 E HA 0.437 4.506 4.350 -0.468 0.000 0.308 279 E C -2.046 174.472 176.600 -0.136 0.000 0.931 279 E CA -0.902 55.356 56.400 -0.237 0.000 0.800 279 E CB 1.633 30.806 29.700 -0.879 0.000 1.292 279 E HN 0.390 nan 8.360 nan 0.000 0.401 280 Y N 1.072 121.266 120.300 -0.175 0.000 2.677 280 Y HA 0.865 5.133 4.550 -0.471 0.000 0.334 280 Y C -1.817 174.110 175.900 0.044 0.000 1.196 280 Y CA -0.702 57.244 58.100 -0.257 0.000 1.059 280 Y CB 0.708 39.055 38.460 -0.190 0.000 1.315 280 Y HN 0.552 nan 8.280 nan 0.000 0.455 281 A N 0.045 122.861 122.820 -0.007 0.000 2.610 281 A HA 0.667 4.706 4.320 -0.468 0.000 0.291 281 A C -0.070 177.579 177.584 0.110 0.000 1.086 281 A CA -0.527 51.538 52.037 0.047 0.000 0.677 281 A CB 0.950 20.099 19.000 0.247 0.000 1.278 281 A HN 1.815 nan 8.150 nan 0.000 0.414 282 G N 0.219 109.086 108.800 0.111 0.000 3.591 282 G HA2 0.471 4.150 3.960 -0.468 0.000 0.282 282 G HA3 0.471 4.150 3.960 -0.468 0.000 0.282 282 G C 0.544 175.542 174.900 0.163 0.000 1.238 282 G CA 0.644 45.827 45.100 0.138 0.000 0.993 282 G HN 1.176 nan 8.290 nan 0.000 0.542 287 S N 0.445 116.177 115.700 0.053 0.000 2.499 287 S HA 0.524 4.713 4.470 -0.468 0.000 0.279 287 S C 1.560 176.308 174.600 0.246 0.000 1.219 287 S CA 0.494 58.731 58.200 0.061 0.000 1.062 287 S CB 1.231 64.493 63.200 0.104 0.000 0.978 287 S HN 0.672 nan 8.310 nan 0.000 0.489 288 G N 4.559 113.474 108.800 0.191 0.000 2.848 288 G HA2 0.109 3.788 3.960 -0.468 0.000 0.208 288 G HA3 0.109 3.788 3.960 -0.468 0.000 0.208 288 G C 0.419 175.567 174.900 0.414 0.000 1.152 288 G CA 0.160 45.530 45.100 0.450 0.000 0.789 288 G HN 0.570 nan 8.290 nan 0.000 0.531 289 M N -0.403 119.347 119.600 0.251 0.000 2.409 289 M HA 0.611 4.810 4.480 -0.468 0.000 0.329 289 M C 1.120 177.527 176.300 0.179 0.000 1.180 289 M CA -0.316 55.086 55.300 0.170 0.000 1.053 289 M CB 0.923 33.598 32.600 0.125 0.000 1.586 289 M HN 0.250 nan 8.290 nan 0.000 0.461 290 G N 0.067 108.970 108.800 0.172 0.000 2.296 290 G HA2 0.202 3.881 3.960 -0.468 0.000 0.188 290 G HA3 0.202 3.881 3.960 -0.468 0.000 0.188 290 G C 0.404 175.500 174.900 0.327 0.000 1.000 290 G CA 0.020 45.273 45.100 0.255 0.000 0.672 290 G HN 1.505 nan 8.290 nan 0.000 0.483 291 G N -0.863 108.103 108.800 0.276 0.000 2.610 291 G HA2 0.269 3.948 3.960 -0.468 0.000 0.304 291 G HA3 0.269 3.948 3.960 -0.468 0.000 0.304 291 G C -0.173 174.836 174.900 0.181 0.000 1.309 291 G CA -0.086 45.200 45.100 0.310 0.000 0.906 291 G HN 1.667 nan 8.290 nan 0.000 0.521 292 L N 0.725 122.071 121.223 0.207 0.000 2.578 292 L HA 0.362 4.421 4.340 -0.468 0.000 0.279 292 L C 0.610 177.477 176.870 -0.005 0.000 1.227 292 L CA 0.322 55.214 54.840 0.088 0.000 0.900 292 L CB 0.599 42.806 42.059 0.247 0.000 1.144 292 L HN 0.658 nan 8.230 nan 0.000 0.496 293 D N 4.174 124.495 120.400 -0.133 0.000 2.402 293 D HA 0.042 4.401 4.640 -0.468 0.000 0.235 293 D C 1.062 177.352 176.300 -0.016 0.000 1.226 293 D CA -0.030 53.964 54.000 -0.011 0.000 0.918 293 D CB 0.855 41.723 40.800 0.113 0.000 1.043 293 D HN 0.440 nan 8.370 nan 0.000 0.506 294 V N 4.173 124.059 119.914 -0.047 0.000 2.343 294 V HA -0.197 3.642 4.120 -0.468 0.000 0.247 294 V C 2.243 178.257 176.094 -0.133 0.000 1.051 294 V CA 1.378 63.632 62.300 -0.077 0.000 1.036 294 V CB -0.217 31.555 31.823 -0.086 0.000 0.654 294 V HN 0.497 nan 8.190 nan 0.000 0.451 295 E N -0.190 119.846 120.200 -0.274 0.000 2.051 295 E HA -0.201 3.868 4.350 -0.468 0.000 0.192 295 E C 2.108 178.517 176.600 -0.317 0.000 0.991 295 E CA 1.065 57.111 56.400 -0.590 0.000 0.799 295 E CB -0.557 28.276 29.700 -1.446 0.000 0.748 295 E HN 0.420 nan 8.360 nan 0.000 0.449 296 L N 1.286 122.476 121.223 -0.055 0.000 2.093 296 L HA -0.093 3.967 4.340 -0.468 0.000 0.208 296 L C 2.110 178.999 176.870 0.032 0.000 1.085 296 L CA 1.779 56.700 54.840 0.136 0.000 0.755 296 L CB -0.995 41.233 42.059 0.281 0.000 0.904 296 L HN 0.055 nan 8.230 nan 0.000 0.435 297 T N -1.433 113.124 114.554 0.005 0.000 2.684 297 T HA -0.283 3.786 4.350 -0.468 0.000 0.267 297 T C 1.692 176.335 174.700 -0.094 0.000 1.036 297 T CA 1.969 63.932 62.100 -0.229 0.000 1.148 297 T CB -0.629 68.019 68.868 -0.367 0.000 0.863 297 T HN 0.464 nan 8.240 nan 0.000 0.436 298 Y N 2.239 122.463 120.300 -0.128 0.000 2.165 298 Y HA -0.174 4.094 4.550 -0.469 0.000 0.286 298 Y C 2.428 178.307 175.900 -0.035 0.000 1.155 298 Y CA 1.440 59.496 58.100 -0.073 0.000 1.164 298 Y CB -0.183 38.204 38.460 -0.121 0.000 0.978 298 Y HN 0.118 nan 8.280 nan 0.000 0.513 299 E N 0.324 120.517 120.200 -0.011 0.000 2.072 299 E HA -0.172 3.897 4.350 -0.468 0.000 0.191 299 E C 2.350 178.930 176.600 -0.032 0.000 0.985 299 E CA 1.390 57.776 56.400 -0.024 0.000 0.801 299 E CB -0.526 29.255 29.700 0.134 0.000 0.750 299 E HN 0.550 nan 8.360 nan 0.000 0.452 300 L N 1.178 122.395 121.223 -0.010 0.000 2.083 300 L HA -0.168 3.891 4.340 -0.468 0.000 0.209 300 L C 2.450 179.345 176.870 0.041 0.000 1.083 300 L CA 0.990 55.849 54.840 0.032 0.000 0.752 300 L CB -0.406 41.664 42.059 0.017 0.000 0.899 300 L HN 0.019 nan 8.230 nan 0.000 0.433 301 E N 0.199 120.406 120.200 0.011 0.000 2.051 301 E HA -0.252 3.817 4.350 -0.468 0.000 0.192 301 E C 2.192 178.768 176.600 -0.040 0.000 0.991 301 E CA 1.128 57.548 56.400 0.034 0.000 0.799 301 E CB -0.244 29.486 29.700 0.050 0.000 0.748 301 E HN 0.394 nan 8.360 nan 0.000 0.449 302 R N 0.630 121.042 120.500 -0.146 0.000 2.091 302 R HA -0.087 3.972 4.340 -0.468 0.000 0.238 302 R C 2.398 178.661 176.300 -0.062 0.000 1.136 302 R CA 1.038 57.050 56.100 -0.147 0.000 0.959 302 R CB -0.184 29.972 30.300 -0.240 0.000 0.856 302 R HN 0.136 nan 8.270 nan 0.000 0.437 303 L N -0.487 120.715 121.223 -0.034 0.000 2.418 303 L HA 0.171 4.230 4.340 -0.468 0.000 0.218 303 L C 0.899 177.772 176.870 0.004 0.000 1.125 303 L CA 0.550 55.386 54.840 -0.006 0.000 0.835 303 L CB 0.189 42.257 42.059 0.015 0.000 0.953 303 L HN 0.600 nan 8.230 nan 0.000 0.454 304 G N 0.879 109.685 108.800 0.009 0.000 2.291 304 G HA2 -0.193 3.486 3.960 -0.468 0.000 0.271 304 G HA3 -0.193 3.486 3.960 -0.468 0.000 0.271 304 G C -0.384 174.521 174.900 0.008 0.000 1.099 304 G CA -0.089 45.014 45.100 0.006 0.000 0.919 304 G HN 0.071 nan 8.290 nan 0.000 0.496 305 V N 0.524 120.462 119.914 0.039 0.000 2.487 305 V HA 0.615 4.454 4.120 -0.468 0.000 0.298 305 V C 0.882 176.973 176.094 -0.006 0.000 1.028 305 V CA -0.454 61.871 62.300 0.042 0.000 0.860 305 V CB 1.794 33.711 31.823 0.156 0.000 0.991 305 V HN 0.491 nan 8.190 nan 0.000 0.427 306 S N 5.378 120.911 115.700 -0.278 0.000 2.576 306 S HA 0.393 4.582 4.470 -0.468 0.000 0.272 306 S C -0.504 173.886 174.600 -0.350 0.000 1.352 306 S CA -0.273 57.587 58.200 -0.566 0.000 1.021 306 S CB 0.321 62.779 63.200 -1.237 0.000 0.887 306 S HN 0.824 nan 8.310 nan 0.000 0.542 307 W N 0.832 121.965 121.300 -0.278 0.000 3.217 307 W HA 0.619 4.996 4.660 -0.471 0.000 0.323 307 W C -2.669 173.925 176.519 0.125 0.000 1.216 307 W CA -1.070 56.240 57.345 -0.058 0.000 1.194 307 W CB 0.378 29.810 29.460 -0.045 0.000 1.397 307 W HN 0.341 nan 8.180 nan 0.000 0.537 308 L N 3.069 124.589 121.223 0.495 0.000 2.372 308 L HA 0.371 4.430 4.340 -0.468 0.000 0.274 308 L C 0.381 177.598 176.870 0.579 0.000 0.988 308 L CA -0.451 54.619 54.840 0.384 0.000 0.833 308 L CB 1.930 44.030 42.059 0.068 0.000 1.236 308 L HN 0.459 nan 8.230 nan 0.000 0.410 309 T N 1.310 116.224 114.554 0.600 0.000 2.913 309 T HA 0.303 4.372 4.350 -0.468 0.000 0.287 309 T C -0.116 174.839 174.700 0.425 0.000 1.008 309 T CA -0.100 62.228 62.100 0.380 0.000 1.067 309 T CB 0.489 69.500 68.868 0.238 0.000 0.996 309 T HN 0.335 nan 8.240 nan 0.000 0.513 310 F N 3.915 123.963 119.950 0.163 0.000 2.871 310 F HA 0.419 4.672 4.527 -0.457 0.000 0.317 310 F C 0.043 176.093 175.800 0.417 0.000 1.193 310 F CA -0.676 57.486 58.000 0.268 0.000 1.311 310 F CB -0.485 38.591 39.000 0.126 0.000 1.380 310 F HN 0.479 nan 8.300 nan 0.000 0.557 311 Q N 1.039 121.017 119.800 0.297 0.000 2.365 311 Q HA 0.367 4.426 4.340 -0.468 0.000 0.269 311 Q C -1.016 174.807 176.000 -0.294 0.000 1.061 311 Q CA -0.729 55.064 55.803 -0.017 0.000 0.816 311 Q CB 1.852 30.555 28.738 -0.058 0.000 1.325 311 Q HN 0.368 nan 8.270 nan 0.000 0.446 312 Y N -0.827 119.118 120.300 -0.592 0.000 2.453 312 Y HA 0.735 5.003 4.550 -0.469 0.000 0.326 312 Y C -0.459 175.159 175.900 -0.471 0.000 1.186 312 Y CA -1.433 56.109 58.100 -0.930 0.000 1.200 312 Y CB 0.635 38.489 38.460 -1.010 0.000 1.247 312 Y HN 0.497 nan 8.280 nan 0.000 0.482 313 I N 4.152 124.603 120.570 -0.199 0.000 2.441 313 I HA 0.241 4.130 4.170 -0.468 0.000 0.287 313 I C -2.145 174.004 176.117 0.055 0.000 1.049 313 I CA -1.963 59.276 61.300 -0.101 0.000 1.381 313 I CB 0.840 38.766 38.000 -0.124 0.000 1.409 313 I HN 0.447 nan 8.210 nan 0.000 0.523 314 P HA -0.003 nan 4.420 nan 0.000 0.266 314 P C -2.027 175.287 177.300 0.024 0.000 1.193 314 P CA -0.728 62.430 63.100 0.097 0.000 0.770 314 P CB 0.072 31.799 31.700 0.045 0.000 0.836 315 P HA 0.057 nan 4.420 nan 0.000 0.245 315 P C 0.115 177.423 177.300 0.012 0.000 1.199 315 P CA 0.910 64.028 63.100 0.030 0.000 0.807 315 P CB 0.785 32.485 31.700 -0.001 0.000 1.002 316 T N -1.617 112.836 114.554 -0.167 0.000 2.853 316 T HA 0.648 4.717 4.350 -0.468 0.000 0.311 316 T C -1.067 173.032 174.700 -1.002 0.000 1.307 316 T CA -0.344 61.454 62.100 -0.505 0.000 1.019 316 T CB 1.676 70.398 68.868 -0.244 0.000 1.264 316 T HN 0.128 nan 8.240 nan 0.000 0.497 317 G N 0.072 108.014 108.800 -1.430 0.000 2.495 317 G HA2 0.445 4.124 3.960 -0.468 0.000 0.294 317 G HA3 0.445 4.124 3.960 -0.468 0.000 0.294 317 G C 0.601 175.201 174.900 -0.501 0.000 1.397 317 G CA 0.118 44.643 45.100 -0.958 0.000 0.790 317 G HN 1.313 nan 8.290 nan 0.000 0.486 318 V N -1.728 118.139 119.914 -0.078 0.000 3.235 318 V HA 0.211 4.050 4.120 -0.468 0.000 0.259 318 V C 1.677 177.814 176.094 0.073 0.000 1.133 318 V CA 2.292 64.624 62.300 0.053 0.000 1.128 318 V CB -0.358 31.560 31.823 0.158 0.000 0.757 318 V HN 1.077 nan 8.190 nan 0.000 0.469 319 S N 0.083 115.837 115.700 0.090 0.000 3.325 319 S HA 0.342 4.531 4.470 -0.468 0.000 0.174 319 S C -0.095 174.565 174.600 0.100 0.000 0.791 319 S CA -0.113 58.129 58.200 0.071 0.000 1.138 319 S CB 0.160 63.309 63.200 -0.085 0.000 0.696 319 S HN 0.501 nan 8.310 nan 0.000 0.698 320 D N 1.475 121.810 120.400 -0.108 0.000 2.738 320 D HA 0.369 4.728 4.640 -0.468 0.000 0.237 320 D C -1.781 173.965 176.300 -0.923 0.000 1.123 320 D CA -0.366 53.299 54.000 -0.559 0.000 0.856 320 D CB 1.760 41.901 40.800 -1.099 0.000 1.552 320 D HN 0.396 nan 8.370 nan 0.000 0.480 321 D N 1.510 121.254 120.400 -1.093 0.000 2.371 321 D HA -0.040 4.319 4.640 -0.468 0.000 0.256 321 D C 0.910 176.939 176.300 -0.451 0.000 1.193 321 D CA -0.130 53.156 54.000 -1.189 0.000 0.881 321 D CB 1.619 42.056 40.800 -0.604 0.000 1.143 321 D HN 0.029 nan 8.370 nan 0.000 0.473 322 V N 3.876 123.550 119.914 -0.401 0.000 2.913 322 V HA -0.179 3.660 4.120 -0.468 0.000 0.260 322 V C 2.092 178.198 176.094 0.020 0.000 1.098 322 V CA 2.508 64.737 62.300 -0.118 0.000 1.121 322 V CB -0.471 31.236 31.823 -0.192 0.000 0.714 322 V HN 0.825 nan 8.190 nan 0.000 0.487 323 T N -2.973 111.555 114.554 -0.044 0.000 3.100 323 T HA 0.089 4.158 4.350 -0.468 0.000 0.253 323 T C 0.795 175.509 174.700 0.022 0.000 1.118 323 T CA -0.034 62.067 62.100 0.002 0.000 1.058 323 T CB -0.238 68.614 68.868 -0.027 0.000 0.953 323 T HN 0.422 nan 8.240 nan 0.000 0.515 324 K N 2.510 122.942 120.400 0.054 0.000 2.312 324 K HA 0.235 4.274 4.320 -0.468 0.000 0.287 324 K C -1.973 174.669 176.600 0.069 0.000 1.062 324 K CA -2.100 54.232 56.287 0.075 0.000 0.934 324 K CB 1.328 33.932 32.500 0.173 0.000 1.027 324 K HN -0.019 nan 8.250 nan 0.000 0.478 325 P HA -0.284 nan 4.420 nan 0.000 0.216 325 P C 0.912 178.188 177.300 -0.040 0.000 1.150 325 P CA 1.313 64.404 63.100 -0.015 0.000 0.843 325 P CB 0.140 31.810 31.700 -0.049 0.000 0.787 326 E N -1.502 118.606 120.200 -0.153 0.000 2.333 326 E HA -0.205 3.864 4.350 -0.468 0.000 0.198 326 E C 0.785 177.200 176.600 -0.309 0.000 1.007 326 E CA 1.149 57.379 56.400 -0.284 0.000 0.845 326 E CB -0.731 28.693 29.700 -0.460 0.000 0.766 326 E HN 0.307 nan 8.360 nan 0.000 0.507 327 Y N -1.680 118.668 120.300 0.079 0.000 2.449 327 Y HA 0.255 4.525 4.550 -0.467 0.000 0.254 327 Y C 0.829 176.878 175.900 0.249 0.000 1.140 327 Y CA -0.137 58.032 58.100 0.116 0.000 1.272 327 Y CB 0.454 38.951 38.460 0.062 0.000 1.114 327 Y HN 0.190 nan 8.280 nan 0.000 0.525 328 F N -1.363 118.689 119.950 0.169 0.000 1.788 328 F HA 0.006 4.251 4.527 -0.469 0.000 0.235 328 F C 2.208 178.135 175.800 0.212 0.000 1.248 328 F CA 0.898 59.026 58.000 0.212 0.000 1.301 328 F CB -0.648 38.514 39.000 0.269 0.000 1.951 328 F HN -0.258 nan 8.300 nan 0.000 0.199 329 S N 1.512 117.199 115.700 -0.023 0.000 2.382 329 S HA -0.051 4.138 4.470 -0.468 0.000 0.228 329 S C 1.959 176.567 174.600 0.014 0.000 1.027 329 S CA 1.184 59.308 58.200 -0.126 0.000 0.991 329 S CB -0.973 62.053 63.200 -0.291 0.000 0.823 329 S HN 0.582 nan 8.310 nan 0.000 0.469 330 A N 1.668 124.478 122.820 -0.016 0.000 1.968 330 A HA 0.303 4.342 4.320 -0.468 0.000 0.217 330 A C 2.267 179.835 177.584 -0.027 0.000 1.169 330 A CA 0.905 52.932 52.037 -0.016 0.000 0.638 330 A CB -0.689 18.288 19.000 -0.039 0.000 0.812 330 A HN 0.531 nan 8.150 nan 0.000 0.446 331 L N -0.588 120.612 121.223 -0.037 0.000 2.046 331 L HA -0.160 3.899 4.340 -0.468 0.000 0.208 331 L C 2.507 179.340 176.870 -0.062 0.000 1.077 331 L CA 1.057 55.874 54.840 -0.039 0.000 0.747 331 L CB -0.639 41.415 42.059 -0.009 0.000 0.896 331 L HN 0.232 nan 8.230 nan 0.000 0.432 332 V N -0.063 119.794 119.914 -0.095 0.000 2.261 332 V HA -0.291 3.548 4.120 -0.468 0.000 0.246 332 V C 2.529 178.560 176.094 -0.105 0.000 1.047 332 V CA 2.069 64.305 62.300 -0.107 0.000 1.015 332 V CB -0.455 31.271 31.823 -0.162 0.000 0.642 332 V HN 0.446 nan 8.190 nan 0.000 0.446 333 E N 1.045 121.226 120.200 -0.032 0.000 2.070 333 E HA -0.244 3.825 4.350 -0.468 0.000 0.197 333 E C 1.949 178.505 176.600 -0.074 0.000 1.004 333 E CA 2.034 58.410 56.400 -0.040 0.000 0.805 333 E CB -0.332 29.388 29.700 0.033 0.000 0.744 333 E HN 0.585 nan 8.360 nan 0.000 0.451 334 N N -0.370 118.295 118.700 -0.059 0.000 2.244 334 N HA -0.104 4.355 4.740 -0.468 0.000 0.183 334 N C 1.787 177.256 175.510 -0.069 0.000 1.016 334 N CA 1.394 54.408 53.050 -0.061 0.000 0.866 334 N CB -0.345 38.116 38.487 -0.043 0.000 0.980 334 N HN 0.347 nan 8.380 nan 0.000 0.430 335 S N -1.180 114.472 115.700 -0.080 0.000 2.446 335 S HA 0.176 4.365 4.470 -0.468 0.000 0.225 335 S C 1.598 176.133 174.600 -0.108 0.000 1.016 335 S CA 0.848 58.992 58.200 -0.094 0.000 0.943 335 S CB 0.030 63.170 63.200 -0.100 0.000 0.786 335 S HN 0.388 nan 8.310 nan 0.000 0.508 336 G N 0.598 109.328 108.800 -0.117 0.000 2.176 336 G HA2 -0.234 3.446 3.960 -0.468 0.000 0.253 336 G HA3 -0.234 3.446 3.960 -0.468 0.000 0.253 336 G C -0.072 174.752 174.900 -0.128 0.000 0.979 336 G CA 0.118 45.137 45.100 -0.135 0.000 0.641 336 G HN 0.676 nan 8.290 nan 0.000 0.530 337 L N 1.681 122.852 121.223 -0.086 0.000 2.525 337 L HA 0.588 4.647 4.340 -0.468 0.000 0.278 337 L C 0.478 177.287 176.870 -0.102 0.000 1.218 337 L CA 1.368 56.216 54.840 0.013 0.000 0.878 337 L CB 1.178 43.297 42.059 0.100 0.000 1.127 337 L HN 0.469 nan 8.230 nan 0.000 0.492 338 S N 3.800 119.493 115.700 -0.011 0.000 2.541 338 S HA 0.810 4.999 4.470 -0.468 0.000 0.271 338 S C -1.682 172.989 174.600 0.120 0.000 1.133 338 S CA -0.523 57.555 58.200 -0.203 0.000 0.876 338 S CB 0.653 63.680 63.200 -0.288 0.000 1.105 338 S HN 0.692 nan 8.310 nan 0.000 0.470 339 W N 0.803 122.078 121.300 -0.042 0.000 3.075 339 W HA 0.667 5.048 4.660 -0.466 0.000 0.334 339 W C -1.253 175.269 176.519 0.005 0.000 1.243 339 W CA -0.930 56.433 57.345 0.029 0.000 1.170 339 W CB 0.225 29.748 29.460 0.105 0.000 1.452 339 W HN 0.438 nan 8.180 nan 0.000 0.572 340 T N 4.349 119.040 114.554 0.229 0.000 2.737 340 T HA 0.289 4.358 4.350 -0.468 0.000 0.296 340 T C -2.079 172.749 174.700 0.212 0.000 0.922 340 T CA -0.713 61.457 62.100 0.117 0.000 1.079 340 T CB 0.287 69.224 68.868 0.115 0.000 0.892 340 T HN 0.167 nan 8.240 nan 0.000 0.514 341 P HA 0.375 nan 4.420 nan 0.000 0.281 341 P C 0.084 177.431 177.300 0.078 0.000 1.249 341 P CA -0.515 62.706 63.100 0.202 0.000 0.810 341 P CB 1.180 32.959 31.700 0.131 0.000 1.008 342 D N 0.075 120.479 120.400 0.007 0.000 2.178 342 D HA -0.070 4.289 4.640 -0.468 0.000 0.201 342 D C 0.080 176.063 176.300 -0.529 0.000 0.980 342 D CA 1.908 55.708 54.000 -0.334 0.000 0.842 342 D CB -0.287 40.171 40.800 -0.569 0.000 0.948 342 D HN 0.432 nan 8.370 nan 0.000 0.472 343 Y N -1.226 119.150 120.300 0.126 0.000 2.545 343 Y HA 0.525 4.794 4.550 -0.469 0.000 0.348 343 Y C 1.190 177.152 175.900 0.105 0.000 1.002 343 Y CA -0.772 57.388 58.100 0.100 0.000 1.039 343 Y CB 1.765 40.281 38.460 0.093 0.000 1.271 343 Y HN 0.067 nan 8.280 nan 0.000 0.467 344 G N 1.930 110.880 108.800 0.251 0.000 2.645 344 G HA2 -0.334 3.345 3.960 -0.468 0.000 0.246 344 G HA3 -0.334 3.345 3.960 -0.468 0.000 0.246 344 G C -0.079 174.900 174.900 0.131 0.000 1.322 344 G CA 0.292 45.497 45.100 0.175 0.000 0.898 344 G HN 0.799 nan 8.290 nan 0.000 0.573 345 N N -0.558 118.220 118.700 0.131 0.000 2.365 345 N HA 0.293 4.752 4.740 -0.468 0.000 0.257 345 N C -0.991 174.577 175.510 0.098 0.000 1.287 345 N CA 0.023 53.125 53.050 0.087 0.000 0.882 345 N CB 0.263 38.795 38.487 0.074 0.000 1.250 345 N HN 0.592 nan 8.380 nan 0.000 0.507 346 W N 1.812 123.063 121.300 -0.081 0.000 2.785 346 W HA 0.557 4.935 4.660 -0.470 0.000 0.333 346 W C -2.587 173.764 176.519 -0.281 0.000 1.062 346 W CA -1.926 55.326 57.345 -0.155 0.000 1.233 346 W CB 1.557 30.958 29.460 -0.097 0.000 1.413 346 W HN -0.058 nan 8.180 nan 0.000 0.489 347 P HA 0.168 nan 4.420 nan 0.000 0.272 347 P C -0.513 176.306 177.300 -0.801 0.000 1.223 347 P CA -0.038 62.054 63.100 -1.680 0.000 0.784 347 P CB 0.611 31.253 31.700 -1.763 0.000 0.923 348 A N 2.315 124.769 122.820 -0.609 0.000 2.498 348 A HA 0.411 4.450 4.320 -0.468 0.000 0.239 348 A C 0.619 178.021 177.584 -0.304 0.000 1.068 348 A CA 0.018 51.869 52.037 -0.310 0.000 0.766 348 A CB -0.569 18.312 19.000 -0.199 0.000 1.003 348 A HN 0.616 nan 8.150 nan 0.000 0.497 349 A N 2.762 125.489 122.820 -0.157 0.000 2.524 349 A HA 0.537 4.576 4.320 -0.468 0.000 0.250 349 A C 0.694 178.127 177.584 -0.252 0.000 1.078 349 A CA 0.507 52.497 52.037 -0.078 0.000 0.761 349 A CB -0.215 18.880 19.000 0.158 0.000 1.012 349 A HN 1.305 nan 8.150 nan 0.000 0.500 350 R N 1.355 121.467 120.500 -0.645 0.000 2.741 350 R HA 0.757 4.817 4.340 -0.468 0.000 0.276 350 R C -0.267 175.148 176.300 -1.474 0.000 1.028 350 R CA -0.387 54.983 56.100 -1.216 0.000 0.865 350 R CB 0.600 30.543 30.300 -0.596 0.000 1.268 350 R HN 1.690 nan 8.270 nan 0.000 0.475 351 G N 0.189 107.981 108.800 -1.679 0.000 2.349 351 G HA2 0.384 4.063 3.960 -0.468 0.000 0.294 351 G HA3 0.384 4.063 3.960 -0.468 0.000 0.294 351 G C -1.592 173.020 174.900 -0.480 0.000 1.380 351 G CA -0.601 44.020 45.100 -0.798 0.000 0.811 351 G HN 0.384 nan 8.290 nan 0.000 0.519 352 V N 0.465 120.355 119.914 -0.040 0.000 2.637 352 V HA 0.291 4.130 4.120 -0.468 0.000 0.296 352 V C -0.283 175.975 176.094 0.275 0.000 1.046 352 V CA -0.060 62.303 62.300 0.104 0.000 1.066 352 V CB 1.086 32.980 31.823 0.118 0.000 0.968 352 V HN 0.612 nan 8.190 nan 0.000 0.483 353 Y N 4.155 124.546 120.300 0.151 0.000 2.341 353 Y HA 0.575 4.844 4.550 -0.468 0.000 0.340 353 Y C 0.730 176.688 175.900 0.096 0.000 0.997 353 Y CA 0.977 59.161 58.100 0.141 0.000 1.149 353 Y CB 0.685 39.147 38.460 0.003 0.000 1.171 353 Y HN 1.030 nan 8.280 nan 0.000 0.494 354 G N 4.753 113.387 108.800 -0.277 0.000 2.693 354 G HA2 -0.339 3.340 3.960 -0.468 0.000 0.226 354 G HA3 -0.339 3.340 3.960 -0.468 0.000 0.226 354 G C 0.089 174.990 174.900 0.001 0.000 1.354 354 G CA -0.072 44.961 45.100 -0.111 0.000 0.873 354 G HN 1.357 nan 8.290 nan 0.000 0.562 355 N N -0.744 117.972 118.700 0.027 0.000 2.708 355 N HA 0.081 4.540 4.740 -0.468 0.000 0.249 355 N C 1.746 177.277 175.510 0.035 0.000 1.097 355 N CA 2.902 55.978 53.050 0.043 0.000 0.710 355 N CB -1.099 37.430 38.487 0.071 0.000 1.032 355 N HN 2.680 nan 8.380 nan 0.000 0.551 356 G N -1.706 107.099 108.800 0.007 0.000 2.187 356 G HA2 -0.067 3.612 3.960 -0.468 0.000 0.261 356 G HA3 -0.067 3.612 3.960 -0.468 0.000 0.261 356 G C 1.510 176.429 174.900 0.030 0.000 1.000 356 G CA 1.084 46.188 45.100 0.007 0.000 0.718 356 G HN 1.773 nan 8.290 nan 0.000 0.519 357 G N -1.786 107.044 108.800 0.050 0.000 2.168 357 G HA2 -0.243 3.436 3.960 -0.468 0.000 0.263 357 G HA3 -0.243 3.436 3.960 -0.468 0.000 0.263 357 G C 0.407 175.382 174.900 0.125 0.000 0.977 357 G CA 0.724 45.887 45.100 0.106 0.000 0.659 357 G HN 1.361 nan 8.290 nan 0.000 0.533 358 L N 0.649 121.942 121.223 0.117 0.000 2.334 358 L HA 0.689 4.748 4.340 -0.468 0.000 0.277 358 L C 1.286 178.253 176.870 0.161 0.000 1.075 358 L CA -0.513 54.427 54.840 0.167 0.000 0.804 358 L CB 1.296 43.439 42.059 0.139 0.000 1.174 358 L HN 0.303 nan 8.230 nan 0.000 0.438 359 A N 3.391 126.328 122.820 0.195 0.000 2.561 359 A HA 0.091 4.130 4.320 -0.468 0.000 0.234 359 A C 0.272 177.887 177.584 0.052 0.000 1.055 359 A CA 0.033 52.104 52.037 0.056 0.000 0.756 359 A CB -0.077 18.840 19.000 -0.138 0.000 0.986 359 A HN 0.750 nan 8.150 nan 0.000 0.505 360 R N 1.363 121.890 120.500 0.045 0.000 2.291 360 R HA 0.202 4.261 4.340 -0.468 0.000 0.333 360 R C 0.009 176.321 176.300 0.020 0.000 1.082 360 R CA -0.047 56.081 56.100 0.047 0.000 0.948 360 R CB 0.428 30.767 30.300 0.064 0.000 1.009 360 R HN 0.753 nan 8.270 nan 0.000 0.460 361 E N 2.476 122.691 120.200 0.025 0.000 2.338 361 E HA 0.028 4.097 4.350 -0.468 0.000 0.272 361 E C 0.000 176.607 176.600 0.011 0.000 1.029 361 E CA -0.544 55.866 56.400 0.016 0.000 0.872 361 E CB 1.065 30.790 29.700 0.041 0.000 1.015 361 E HN 0.592 nan 8.360 nan 0.000 0.417 362 T N 1.766 116.322 114.554 0.002 0.000 2.919 362 T HA 0.574 4.643 4.350 -0.468 0.000 0.302 362 T C 0.525 175.240 174.700 0.025 0.000 1.031 362 T CA -0.245 61.862 62.100 0.012 0.000 1.127 362 T CB 1.272 70.134 68.868 -0.010 0.000 0.952 362 T HN 0.762 nan 8.240 nan 0.000 0.540 363 A N 3.028 125.847 122.820 -0.001 0.000 2.406 363 A HA 0.592 4.631 4.320 -0.468 0.000 0.243 363 A C 0.985 178.516 177.584 -0.090 0.000 1.082 363 A CA -0.228 51.763 52.037 -0.076 0.000 0.786 363 A CB -0.207 18.694 19.000 -0.165 0.000 1.029 363 A HN 1.338 nan 8.150 nan 0.000 0.495 364 T N -2.110 112.347 114.554 -0.162 0.000 2.916 364 T HA 0.589 4.658 4.350 -0.468 0.000 0.292 364 T C -0.877 173.625 174.700 -0.330 0.000 1.064 364 T CA -0.625 61.375 62.100 -0.166 0.000 1.011 364 T CB 0.824 69.664 68.868 -0.047 0.000 1.152 364 T HN 0.569 nan 8.240 nan 0.000 0.510 365 W N 0.842 122.058 121.300 -0.139 0.000 2.338 365 W HA 0.686 5.065 4.660 -0.469 0.000 0.307 365 W C -0.300 176.044 176.519 -0.291 0.000 1.167 365 W CA -0.800 56.416 57.345 -0.215 0.000 1.208 365 W CB 0.666 30.037 29.460 -0.147 0.000 1.228 365 W HN 0.489 nan 8.180 nan 0.000 0.499 366 I N 4.628 125.006 120.570 -0.320 0.000 2.533 366 I HA 0.155 4.044 4.170 -0.468 0.000 0.290 366 I C -0.402 175.457 176.117 -0.429 0.000 1.056 366 I CA -1.054 60.014 61.300 -0.386 0.000 1.057 366 I CB 1.741 39.449 38.000 -0.487 0.000 1.240 366 I HN 0.450 nan 8.210 nan 0.000 0.423 367 N N 5.634 124.288 118.700 -0.078 0.000 2.714 367 N HA -0.244 4.215 4.740 -0.468 0.000 0.252 367 N C 0.117 175.746 175.510 0.199 0.000 1.014 367 N CA 0.935 54.044 53.050 0.099 0.000 0.735 367 N CB -1.075 37.569 38.487 0.261 0.000 0.924 367 N HN 0.784 nan 8.380 nan 0.000 0.540 368 N N -2.714 116.063 118.700 0.128 0.000 2.828 368 N HA -0.243 4.216 4.740 -0.468 0.000 0.248 368 N C -0.270 175.517 175.510 0.462 0.000 1.044 368 N CA 1.748 54.911 53.050 0.188 0.000 0.851 368 N CB -1.585 36.966 38.487 0.107 0.000 1.136 368 N HN 0.668 nan 8.380 nan 0.000 0.572 369 F N -1.035 119.145 119.950 0.383 0.000 2.593 369 F HA 0.747 4.993 4.527 -0.468 0.000 0.320 369 F C -0.056 175.801 175.800 0.094 0.000 1.060 369 F CA -1.297 56.871 58.000 0.280 0.000 0.940 369 F CB 0.758 39.828 39.000 0.117 0.000 1.268 369 F HN -0.169 nan 8.300 nan 0.000 0.475 370 L N 1.993 123.178 121.223 -0.063 0.000 2.305 370 L HA 0.259 4.318 4.340 -0.468 0.000 0.281 370 L C 1.365 178.221 176.870 -0.024 0.000 1.085 370 L CA -0.261 54.339 54.840 -0.400 0.000 0.813 370 L CB 1.786 43.542 42.059 -0.505 0.000 1.157 370 L HN 1.012 nan 8.230 nan 0.000 0.436 371 T N -1.269 113.205 114.554 -0.132 0.000 3.035 371 T HA 0.204 4.273 4.350 -0.468 0.000 0.268 371 T C 0.717 175.454 174.700 0.061 0.000 1.109 371 T CA 0.466 62.596 62.100 0.050 0.000 1.119 371 T CB 0.087 68.936 68.868 -0.033 0.000 0.900 371 T HN 0.766 nan 8.240 nan 0.000 0.503 372 G N -0.300 108.491 108.800 -0.015 0.000 2.488 372 G HA2 0.439 4.118 3.960 -0.468 0.000 0.301 372 G HA3 0.439 4.118 3.960 -0.468 0.000 0.301 372 G C -1.050 173.819 174.900 -0.052 0.000 1.339 372 G CA -0.441 44.650 45.100 -0.014 0.000 0.803 372 G HN 0.110 nan 8.290 nan 0.000 0.482 373 T N -0.662 113.865 114.554 -0.044 0.000 2.932 373 T HA 0.396 4.465 4.350 -0.468 0.000 0.312 373 T C 1.750 176.408 174.700 -0.069 0.000 1.071 373 T CA 1.170 63.230 62.100 -0.067 0.000 1.128 373 T CB 0.513 69.342 68.868 -0.064 0.000 0.984 373 T HN 1.153 nan 8.240 nan 0.000 0.549 374 T N 1.860 116.359 114.554 -0.092 0.000 3.023 374 T HA 0.272 4.341 4.350 -0.468 0.000 0.253 374 T C 0.744 175.405 174.700 -0.066 0.000 1.038 374 T CA -0.314 61.748 62.100 -0.063 0.000 0.962 374 T CB 0.151 68.983 68.868 -0.060 0.000 1.018 374 T HN 0.517 nan 8.240 nan 0.000 0.521 375 R N 1.091 121.515 120.500 -0.127 0.000 2.312 375 R HA 0.647 4.706 4.340 -0.468 0.000 0.311 375 R C -1.165 175.091 176.300 -0.073 0.000 1.004 375 R CA -0.713 55.284 56.100 -0.172 0.000 0.902 375 R CB 0.538 30.599 30.300 -0.399 0.000 1.073 375 R HN 0.343 nan 8.270 nan 0.000 0.457 376 I N 3.936 124.497 120.570 -0.014 0.000 2.389 376 I HA 0.211 4.100 4.170 -0.468 0.000 0.288 376 I C -0.084 176.073 176.117 0.068 0.000 0.999 376 I CA -0.904 60.403 61.300 0.011 0.000 1.129 376 I CB 1.829 39.788 38.000 -0.068 0.000 1.288 376 I HN 0.438 nan 8.210 nan 0.000 0.444 377 E N 4.032 124.298 120.200 0.110 0.000 2.384 377 E HA 0.110 4.179 4.350 -0.468 0.000 0.266 377 E C 0.828 177.551 176.600 0.205 0.000 1.012 377 E CA -0.041 56.456 56.400 0.162 0.000 0.901 377 E CB 1.493 31.257 29.700 0.107 0.000 0.967 377 E HN 0.758 nan 8.360 nan 0.000 0.435 378 A N 3.912 126.863 122.820 0.219 0.000 2.019 378 A HA -0.187 3.852 4.320 -0.468 0.000 0.219 378 A C 1.589 179.446 177.584 0.456 0.000 1.164 378 A CA 1.375 53.608 52.037 0.325 0.000 0.644 378 A CB -0.278 18.867 19.000 0.242 0.000 0.805 378 A HN 0.614 nan 8.150 nan 0.000 0.449 379 E N 0.077 120.422 120.200 0.243 0.000 2.511 379 E HA -0.105 3.964 4.350 -0.468 0.000 0.196 379 E C -0.580 176.009 176.600 -0.018 0.000 1.066 379 E CA 0.682 57.180 56.400 0.163 0.000 0.871 379 E CB -0.300 29.293 29.700 -0.179 0.000 0.863 379 E HN 0.425 nan 8.360 nan 0.000 0.520 380 D N 1.421 121.905 120.400 0.140 0.000 2.587 380 D HA 0.123 4.482 4.640 -0.468 0.000 0.233 380 D C -0.016 176.340 176.300 0.093 0.000 1.213 380 D CA -0.416 53.647 54.000 0.105 0.000 0.827 380 D CB -0.704 40.284 40.800 0.313 0.000 1.006 380 D HN 0.190 nan 8.370 nan 0.000 0.490 381 F N -0.189 119.798 119.950 0.062 0.000 2.589 381 F HA 0.164 4.410 4.527 -0.468 0.000 0.352 381 F C 0.743 176.482 175.800 -0.101 0.000 1.168 381 F CA -0.953 56.806 58.000 -0.402 0.000 1.353 381 F CB 0.165 38.883 39.000 -0.470 0.000 1.116 381 F HN -0.269 nan 8.300 nan 0.000 0.608 382 D N 2.515 122.909 120.400 -0.010 0.000 2.472 382 D HA -0.057 4.302 4.640 -0.468 0.000 0.237 382 D C 0.222 176.628 176.300 0.177 0.000 1.141 382 D CA 0.095 54.110 54.000 0.025 0.000 0.875 382 D CB 0.305 41.062 40.800 -0.072 0.000 1.192 382 D HN 0.645 nan 8.370 nan 0.000 0.450 383 W N 0.751 122.142 121.300 0.152 0.000 2.129 383 W HA 0.474 4.853 4.660 -0.468 0.000 0.349 383 W C 0.496 177.106 176.519 0.151 0.000 1.279 383 W CA -0.363 57.095 57.345 0.187 0.000 1.306 383 W CB 0.339 29.897 29.460 0.163 0.000 1.140 383 W HN 0.538 nan 8.180 nan 0.000 0.613 384 G N -0.168 108.889 108.800 0.429 0.000 3.768 384 G HA2 0.346 4.025 3.960 -0.468 0.000 0.214 384 G HA3 0.346 4.025 3.960 -0.468 0.000 0.214 384 G C 0.249 175.226 174.900 0.129 0.000 1.058 384 G CA 0.269 45.467 45.100 0.163 0.000 0.890 384 G HN 1.769 nan 8.290 nan 0.000 0.393 385 G N -0.333 108.484 108.800 0.029 0.000 2.347 385 G HA2 0.322 4.001 3.960 -0.468 0.000 0.477 385 G HA3 0.322 4.001 3.960 -0.468 0.000 0.477 385 G C -1.367 173.030 174.900 -0.840 0.000 1.349 385 G CA 0.033 45.019 45.100 -0.190 0.000 1.000 385 G HN 0.841 nan 8.290 nan 0.000 0.605 386 N N 0.850 119.088 118.700 -0.771 0.000 2.438 386 N HA 0.455 4.914 4.740 -0.468 0.000 0.267 386 N C 1.464 176.748 175.510 -0.375 0.000 1.222 386 N CA 1.932 54.509 53.050 -0.789 0.000 0.930 386 N CB 0.664 38.989 38.487 -0.270 0.000 1.083 386 N HN 2.137 nan 8.380 nan 0.000 0.476 387 G N 1.467 110.049 108.800 -0.364 0.000 2.195 387 G HA2 -0.254 3.425 3.960 -0.468 0.000 0.246 387 G HA3 -0.254 3.425 3.960 -0.468 0.000 0.246 387 G C 0.637 175.589 174.900 0.086 0.000 0.984 387 G CA 0.394 45.461 45.100 -0.054 0.000 0.633 387 G HN 0.471 nan 8.290 nan 0.000 0.525 388 V N 0.598 120.473 119.914 -0.065 0.000 2.870 388 V HA 0.238 4.077 4.120 -0.468 0.000 0.232 388 V C 2.407 178.580 176.094 0.132 0.000 1.161 388 V CA 2.372 64.692 62.300 0.032 0.000 1.204 388 V CB 0.368 32.152 31.823 -0.064 0.000 1.003 388 V HN 0.910 nan 8.190 nan 0.000 0.499 389 S N -0.259 115.426 115.700 -0.025 0.000 2.526 389 S HA 0.288 4.477 4.470 -0.468 0.000 0.220 389 S C 0.103 174.810 174.600 0.178 0.000 1.017 389 S CA -0.090 58.187 58.200 0.129 0.000 0.930 389 S CB 0.101 63.366 63.200 0.108 0.000 0.856 389 S HN 0.692 nan 8.310 nan 0.000 0.497 390 Y N -1.671 118.458 120.300 -0.286 0.000 2.689 390 Y HA 0.753 5.022 4.550 -0.468 0.000 0.333 390 Y C -1.646 173.507 175.900 -1.244 0.000 1.208 390 Y CA -2.234 55.429 58.100 -0.729 0.000 1.055 390 Y CB 0.562 38.642 38.460 -0.632 0.000 1.304 390 Y HN 0.033 nan 8.280 nan 0.000 0.455 391 Y N 1.471 120.929 120.300 -1.404 0.000 2.373 391 Y HA 0.633 4.902 4.550 -0.468 0.000 0.336 391 Y C -1.890 173.743 175.900 -0.445 0.000 0.979 391 Y CA -1.287 56.195 58.100 -1.031 0.000 1.080 391 Y CB 2.015 39.686 38.460 -1.315 0.000 1.190 391 Y HN 0.902 nan 8.280 nan 0.000 0.446 392 D N 2.372 122.238 120.400 -0.889 0.000 2.646 392 D HA 0.258 4.617 4.640 -0.468 0.000 0.245 392 D C 0.569 176.340 176.300 -0.881 0.000 1.099 392 D CA -0.212 53.355 54.000 -0.722 0.000 0.849 392 D CB 1.988 42.572 40.800 -0.361 0.000 1.448 392 D HN 0.628 nan 8.370 nan 0.000 0.489 393 T N -0.440 113.737 114.554 -0.628 0.000 3.035 393 T HA 0.004 4.073 4.350 -0.468 0.000 0.268 393 T C 0.359 174.925 174.700 -0.224 0.000 1.109 393 T CA 0.474 62.349 62.100 -0.374 0.000 1.119 393 T CB 0.106 68.868 68.868 -0.177 0.000 0.900 393 T HN 0.216 nan 8.240 nan 0.000 0.503 394 D N 1.518 121.781 120.400 -0.229 0.000 2.344 394 D HA 0.310 4.669 4.640 -0.468 0.000 0.239 394 D C 1.061 177.262 176.300 -0.166 0.000 1.064 394 D CA -0.040 53.855 54.000 -0.175 0.000 0.829 394 D CB 2.161 42.844 40.800 -0.194 0.000 1.129 394 D HN 0.330 nan 8.370 nan 0.000 0.506 395 S N 1.217 116.846 115.700 -0.118 0.000 2.419 395 S HA -0.072 4.117 4.470 -0.468 0.000 0.233 395 S C 1.054 175.602 174.600 -0.086 0.000 1.016 395 S CA 0.353 58.504 58.200 -0.082 0.000 0.974 395 S CB 0.039 63.208 63.200 -0.052 0.000 0.786 395 S HN 0.250 nan 8.310 nan 0.000 0.492 396 V N 3.380 123.224 119.914 -0.117 0.000 2.607 396 V HA 0.293 4.132 4.120 -0.468 0.000 0.289 396 V C 0.403 176.386 176.094 -0.184 0.000 1.053 396 V CA -0.918 61.303 62.300 -0.132 0.000 0.996 396 V CB 1.091 32.833 31.823 -0.135 0.000 0.995 396 V HN 0.462 nan 8.190 nan 0.000 0.476 397 N N 3.632 122.225 118.700 -0.178 0.000 2.406 397 N HA -0.003 4.456 4.740 -0.468 0.000 0.269 397 N C 0.845 176.183 175.510 -0.286 0.000 1.210 397 N CA 0.173 53.094 53.050 -0.215 0.000 0.966 397 N CB 1.165 39.560 38.487 -0.154 0.000 1.293 397 N HN 0.583 nan 8.380 nan 0.000 0.491 398 V N 2.215 121.863 119.914 -0.443 0.000 2.970 398 V HA 0.134 3.973 4.120 -0.468 0.000 0.260 398 V C 1.802 177.459 176.094 -0.729 0.000 1.100 398 V CA 1.632 63.569 62.300 -0.606 0.000 1.122 398 V CB -0.767 30.578 31.823 -0.796 0.000 0.721 398 V HN 0.477 nan 8.190 nan 0.000 0.483 399 G N 0.109 108.497 108.800 -0.687 0.000 2.464 399 G HA2 0.292 3.971 3.960 -0.468 0.000 0.217 399 G HA3 0.292 3.971 3.960 -0.468 0.000 0.217 399 G C 1.484 176.331 174.900 -0.089 0.000 1.138 399 G CA 0.531 45.435 45.100 -0.327 0.000 0.793 399 G HN 1.533 nan 8.290 nan 0.000 0.539 400 G N -1.414 107.319 108.800 -0.111 0.000 2.179 400 G HA2 -0.254 3.425 3.960 -0.468 0.000 0.260 400 G HA3 -0.254 3.425 3.960 -0.468 0.000 0.260 400 G C 0.412 175.309 174.900 -0.004 0.000 0.977 400 G CA 0.518 45.583 45.100 -0.057 0.000 0.641 400 G HN 0.547 nan 8.290 nan 0.000 0.533 401 Q N -1.566 118.257 119.800 0.039 0.000 2.214 401 Q HA 0.596 4.655 4.340 -0.468 0.000 0.251 401 Q C 0.632 176.616 176.000 -0.027 0.000 0.936 401 Q CA -0.254 55.588 55.803 0.065 0.000 0.894 401 Q CB 1.358 30.230 28.738 0.223 0.000 1.252 401 Q HN 0.774 nan 8.270 nan 0.000 0.448 402 Y N 1.495 121.597 120.300 -0.331 0.000 2.740 402 Y HA -0.404 3.865 4.550 -0.468 0.000 0.482 402 Y C -0.311 175.426 175.900 -0.273 0.000 1.156 402 Y CA 2.490 60.291 58.100 -0.498 0.000 2.839 402 Y CB -0.439 37.502 38.460 -0.865 0.000 0.979 402 Y HN 0.683 nan 8.280 nan 0.000 0.561 403 R N 0.939 121.323 120.500 -0.193 0.000 2.651 403 R HA 0.293 4.352 4.340 -0.468 0.000 0.282 403 R C -2.226 174.006 176.300 -0.113 0.000 1.565 403 R CA -0.813 55.154 56.100 -0.222 0.000 1.661 403 R CB 0.953 31.083 30.300 -0.284 0.000 1.189 403 R HN 0.232 nan 8.270 nan 0.000 0.621 404 P HA -0.112 nan 4.420 nan 0.000 0.223 404 P C -0.120 177.137 177.300 -0.072 0.000 1.151 404 P CA 1.086 64.140 63.100 -0.077 0.000 0.787 404 P CB 0.436 32.097 31.700 -0.065 0.000 0.788 405 D N -0.445 119.916 120.400 -0.064 0.000 2.363 405 D HA 0.115 4.474 4.640 -0.468 0.000 0.214 405 D C 0.618 176.909 176.300 -0.014 0.000 1.093 405 D CA 0.270 54.245 54.000 -0.042 0.000 0.837 405 D CB 0.583 41.360 40.800 -0.039 0.000 0.948 405 D HN 0.369 nan 8.370 nan 0.000 0.507 406 E N -0.938 119.248 120.200 -0.023 0.000 2.303 406 E HA 0.552 4.622 4.350 -0.468 0.000 0.254 406 E C 0.979 177.525 176.600 -0.090 0.000 0.979 406 E CA -0.830 55.578 56.400 0.014 0.000 0.843 406 E CB 1.355 31.088 29.700 0.055 0.000 1.245 406 E HN -0.026 nan 8.360 nan 0.000 0.413 407 G N -0.209 108.498 108.800 -0.155 0.000 2.838 407 G HA2 0.042 3.721 3.960 -0.468 0.000 0.210 407 G HA3 0.042 3.721 3.960 -0.468 0.000 0.210 407 G C 0.359 175.024 174.900 -0.391 0.000 1.153 407 G CA -0.094 44.903 45.100 -0.173 0.000 0.778 407 G HN 0.188 nan 8.290 nan 0.000 0.539 408 V N 2.203 121.687 119.914 -0.716 0.000 2.655 408 V HA 0.111 3.950 4.120 -0.468 0.000 0.300 408 V C -0.416 175.502 176.094 -0.293 0.000 1.044 408 V CA -0.490 61.425 62.300 -0.642 0.000 1.095 408 V CB 1.266 32.428 31.823 -1.102 0.000 0.952 408 V HN 0.208 nan 8.190 nan 0.000 0.485 409 D N 5.351 125.643 120.400 -0.179 0.000 2.295 409 D HA 0.487 4.846 4.640 -0.468 0.000 0.248 409 D C -0.309 176.079 176.300 0.146 0.000 1.154 409 D CA 0.195 54.161 54.000 -0.057 0.000 0.857 409 D CB 1.509 42.300 40.800 -0.014 0.000 1.117 409 D HN 0.323 nan 8.370 nan 0.000 0.468 410 I N 1.765 122.424 120.570 0.148 0.000 2.533 410 I HA 0.240 4.129 4.170 -0.468 0.000 0.290 410 I C 0.172 176.475 176.117 0.309 0.000 1.056 410 I CA -0.803 60.628 61.300 0.218 0.000 1.057 410 I CB 2.071 40.148 38.000 0.128 0.000 1.240 410 I HN 0.287 nan 8.210 nan 0.000 0.423 411 E N 4.978 125.398 120.200 0.368 0.000 2.392 411 E HA 0.525 4.594 4.350 -0.468 0.000 0.269 411 E C -1.339 175.467 176.600 0.342 0.000 0.924 411 E CA -1.241 55.376 56.400 0.363 0.000 0.784 411 E CB 1.932 31.846 29.700 0.356 0.000 1.292 411 E HN 0.337 nan 8.360 nan 0.000 0.447 412 K N 0.720 121.275 120.400 0.257 0.000 2.401 412 K HA 0.119 4.158 4.320 -0.468 0.000 0.278 412 K C -0.148 176.472 176.600 0.034 0.000 1.018 412 K CA 0.149 56.467 56.287 0.050 0.000 0.981 412 K CB 1.073 33.567 32.500 -0.010 0.000 0.933 412 K HN 0.419 nan 8.250 nan 0.000 0.477 413 T N 0.415 114.933 114.554 -0.060 0.000 2.928 413 T HA 0.138 4.207 4.350 -0.468 0.000 0.284 413 T C 0.667 175.351 174.700 -0.026 0.000 1.008 413 T CA -0.627 61.464 62.100 -0.015 0.000 1.057 413 T CB 0.945 69.708 68.868 -0.174 0.000 1.018 413 T HN 0.470 nan 8.240 nan 0.000 0.493 414 S N 2.526 118.279 115.700 0.089 0.000 2.556 414 S HA 0.138 4.327 4.470 -0.468 0.000 0.216 414 S C 0.377 175.003 174.600 0.043 0.000 0.970 414 S CA -0.436 57.814 58.200 0.083 0.000 0.912 414 S CB -0.068 63.223 63.200 0.152 0.000 0.790 414 S HN 0.786 nan 8.310 nan 0.000 0.504 415 D N 2.452 122.751 120.400 -0.168 0.000 2.361 415 D HA 0.094 4.453 4.640 -0.468 0.000 0.239 415 D C 0.016 176.216 176.300 -0.167 0.000 1.200 415 D CA 0.396 54.182 54.000 -0.357 0.000 0.915 415 D CB 0.591 40.698 40.800 -1.155 0.000 1.170 415 D HN 0.006 nan 8.370 nan 0.000 0.444 416 T N 1.158 115.663 114.554 -0.082 0.000 2.905 416 T HA 0.395 4.464 4.350 -0.468 0.000 0.299 416 T C 1.225 175.901 174.700 -0.041 0.000 1.024 416 T CA 0.753 62.837 62.100 -0.028 0.000 1.151 416 T CB 0.364 69.245 68.868 0.022 0.000 0.987 416 T HN 0.629 nan 8.240 nan 0.000 0.535 417 G N 1.841 110.617 108.800 -0.039 0.000 2.217 417 G HA2 0.051 3.730 3.960 -0.468 0.000 0.246 417 G HA3 0.051 3.730 3.960 -0.468 0.000 0.246 417 G C 0.845 175.699 174.900 -0.077 0.000 0.990 417 G CA 0.252 45.324 45.100 -0.048 0.000 0.627 417 G HN 1.814 nan 8.290 nan 0.000 0.522 418 G N -0.518 108.220 108.800 -0.104 0.000 2.575 418 G HA2 0.362 4.041 3.960 -0.468 0.000 0.267 418 G HA3 0.362 4.041 3.960 -0.468 0.000 0.267 418 G C 1.312 176.090 174.900 -0.203 0.000 1.264 418 G CA 1.773 46.785 45.100 -0.147 0.000 0.935 418 G HN 2.797 nan 8.290 nan 0.000 0.568 419 G N -2.463 106.146 108.800 -0.319 0.000 2.503 419 G HA2 0.270 3.949 3.960 -0.468 0.000 0.235 419 G HA3 0.270 3.949 3.960 -0.468 0.000 0.235 419 G C -0.208 174.248 174.900 -0.740 0.000 1.179 419 G CA 0.736 45.542 45.100 -0.490 0.000 0.944 419 G HN 1.995 nan 8.290 nan 0.000 0.580 420 Y N 1.856 122.080 120.300 -0.125 0.000 2.553 420 Y HA 0.652 4.921 4.550 -0.468 0.000 0.347 420 Y C 0.433 176.277 175.900 -0.093 0.000 1.019 420 Y CA -0.451 57.583 58.100 -0.109 0.000 1.032 420 Y CB 2.131 40.462 38.460 -0.214 0.000 1.284 420 Y HN 0.937 nan 8.280 nan 0.000 0.466 421 N N -0.402 118.386 118.700 0.147 0.000 2.262 421 N HA 0.531 4.990 4.740 -0.468 0.000 0.295 421 N C -1.797 173.817 175.510 0.174 0.000 1.161 421 N CA -0.682 52.447 53.050 0.131 0.000 0.767 421 N CB 2.254 40.853 38.487 0.187 0.000 1.499 421 N HN 0.353 nan 8.380 nan 0.000 0.476 422 V N 0.541 120.547 119.914 0.153 0.000 2.555 422 V HA 0.498 4.338 4.120 -0.468 0.000 0.286 422 V C 1.068 177.205 176.094 0.072 0.000 1.044 422 V CA 0.157 62.530 62.300 0.121 0.000 1.026 422 V CB 0.523 32.398 31.823 0.087 0.000 0.981 422 V HN 0.910 nan 8.190 nan 0.000 0.480 423 G N 2.711 111.571 108.800 0.099 0.000 3.105 423 G HA2 0.521 4.200 3.960 -0.468 0.000 0.277 423 G HA3 0.521 4.200 3.960 -0.468 0.000 0.277 423 G C -0.582 174.371 174.900 0.087 0.000 1.375 423 G CA -0.729 44.314 45.100 -0.095 0.000 0.962 423 G HN 0.768 nan 8.290 nan 0.000 0.541 424 W N -0.373 120.813 121.300 -0.190 0.000 6.840 424 W HA -0.153 4.226 4.660 -0.468 0.000 0.413 424 W C -0.250 176.143 176.519 -0.210 0.000 1.605 424 W CA 0.117 57.342 57.345 -0.200 0.000 1.122 424 W CB -1.566 27.790 29.460 -0.173 0.000 2.811 424 W HN 0.189 nan 8.180 nan 0.000 1.578 425 I N 1.353 121.838 120.570 -0.142 0.000 2.337 425 I HA 0.115 4.004 4.170 -0.468 0.000 0.291 425 I C 0.919 176.955 176.117 -0.136 0.000 1.046 425 I CA 0.378 61.541 61.300 -0.228 0.000 1.324 425 I CB 0.689 38.338 38.000 -0.586 0.000 1.409 425 I HN -0.195 nan 8.210 nan 0.000 0.494 426 S N 5.119 120.784 115.700 -0.058 0.000 2.549 426 S HA 0.214 4.403 4.470 -0.468 0.000 0.297 426 S C -0.190 174.449 174.600 0.066 0.000 1.115 426 S CA -0.773 57.431 58.200 0.007 0.000 1.059 426 S CB 1.566 64.764 63.200 -0.003 0.000 1.046 426 S HN 0.600 nan 8.310 nan 0.000 0.506 427 E N 0.502 120.761 120.200 0.099 0.000 2.529 427 E HA 0.218 4.287 4.350 -0.468 0.000 0.259 427 E C 1.157 177.855 176.600 0.163 0.000 0.966 427 E CA 1.042 57.523 56.400 0.136 0.000 0.937 427 E CB -0.087 29.683 29.700 0.115 0.000 0.923 427 E HN 0.957 nan 8.360 nan 0.000 0.468 428 G N 3.607 112.531 108.800 0.208 0.000 2.213 428 G HA2 -0.274 3.405 3.960 -0.468 0.000 0.236 428 G HA3 -0.274 3.405 3.960 -0.468 0.000 0.236 428 G C 0.073 175.222 174.900 0.415 0.000 0.991 428 G CA 0.222 45.489 45.100 0.278 0.000 0.629 428 G HN 0.607 nan 8.290 nan 0.000 0.517 429 E N 0.267 120.640 120.200 0.288 0.000 2.392 429 E HA 0.495 4.564 4.350 -0.468 0.000 0.256 429 E C 0.451 177.245 176.600 0.324 0.000 1.145 429 E CA 0.260 56.772 56.400 0.187 0.000 0.929 429 E CB 0.478 30.157 29.700 -0.035 0.000 0.998 429 E HN 0.598 nan 8.360 nan 0.000 0.442 430 W N 0.638 122.031 121.300 0.154 0.000 3.146 430 W HA 0.576 4.956 4.660 -0.468 0.000 0.319 430 W C -2.177 174.385 176.519 0.072 0.000 1.258 430 W CA -0.842 56.573 57.345 0.116 0.000 1.189 430 W CB 0.384 29.909 29.460 0.109 0.000 1.412 430 W HN 0.281 nan 8.180 nan 0.000 0.567 431 L N 1.739 123.211 121.223 0.415 0.000 2.436 431 L HA 0.444 4.503 4.340 -0.468 0.000 0.268 431 L C -0.375 176.621 176.870 0.211 0.000 0.974 431 L CA -0.676 54.278 54.840 0.191 0.000 0.826 431 L CB 2.575 44.719 42.059 0.142 0.000 1.291 431 L HN 0.391 nan 8.230 nan 0.000 0.406 432 E N 1.960 122.187 120.200 0.044 0.000 2.212 432 E HA 0.566 4.635 4.350 -0.468 0.000 0.268 432 E C -1.826 174.575 176.600 -0.331 0.000 0.902 432 E CA -0.781 55.619 56.400 0.001 0.000 0.779 432 E CB 2.423 32.193 29.700 0.115 0.000 1.172 432 E HN 0.323 nan 8.360 nan 0.000 0.409 433 Y N 0.159 120.514 120.300 0.092 0.000 2.331 433 Y HA 0.226 4.495 4.550 -0.469 0.000 0.326 433 Y C -0.133 175.770 175.900 0.005 0.000 1.020 433 Y CA -0.929 57.214 58.100 0.072 0.000 1.136 433 Y CB 1.930 40.435 38.460 0.075 0.000 1.157 433 Y HN 0.283 nan 8.280 nan 0.000 0.444 434 T N 5.904 120.518 114.554 0.100 0.000 2.761 434 T HA 0.546 4.615 4.350 -0.468 0.000 0.296 434 T C 0.101 174.818 174.700 0.029 0.000 0.934 434 T CA -0.206 61.907 62.100 0.021 0.000 1.091 434 T CB -0.345 68.504 68.868 -0.031 0.000 0.896 434 T HN 0.604 nan 8.240 nan 0.000 0.515 435 I N 0.494 121.061 120.570 -0.005 0.000 3.170 435 I HA 0.811 4.700 4.170 -0.468 0.000 0.312 435 I C -0.480 175.586 176.117 -0.084 0.000 1.085 435 I CA -1.649 59.642 61.300 -0.015 0.000 0.999 435 I CB 2.329 40.341 38.000 0.019 0.000 1.233 435 I HN 0.354 nan 8.210 nan 0.000 0.467 436 R N 2.450 122.899 120.500 -0.085 0.000 2.500 436 R HA 0.557 4.616 4.340 -0.468 0.000 0.299 436 R C -1.947 174.306 176.300 -0.079 0.000 1.038 436 R CA -0.561 55.463 56.100 -0.127 0.000 0.903 436 R CB 1.990 32.185 30.300 -0.176 0.000 1.177 436 R HN 0.659 nan 8.270 nan 0.000 0.455 437 V N 4.725 124.585 119.914 -0.090 0.000 2.389 437 V HA 0.076 3.915 4.120 -0.468 0.000 0.264 437 V C 1.474 177.562 176.094 -0.010 0.000 1.049 437 V CA -0.191 62.050 62.300 -0.100 0.000 0.932 437 V CB 1.052 32.757 31.823 -0.197 0.000 1.011 437 V HN 0.702 nan 8.190 nan 0.000 0.475 438 R N 3.027 123.555 120.500 0.046 0.000 2.075 438 R HA 0.005 4.064 4.340 -0.468 0.000 0.232 438 R C 0.601 176.970 176.300 0.116 0.000 1.126 438 R CA 1.149 57.311 56.100 0.103 0.000 0.963 438 R CB -0.475 29.885 30.300 0.100 0.000 0.858 438 R HN 0.896 nan 8.270 nan 0.000 0.435 439 N N 0.270 119.045 118.700 0.126 0.000 2.258 439 N HA 0.375 4.834 4.740 -0.468 0.000 0.299 439 N C -2.922 172.645 175.510 0.094 0.000 1.047 439 N CA -1.730 51.382 53.050 0.104 0.000 0.814 439 N CB 2.429 40.969 38.487 0.089 0.000 1.413 439 N HN 0.093 nan 8.380 nan 0.000 0.478 440 P HA 0.343 nan 4.420 nan 0.000 0.272 440 P C 0.162 177.348 177.300 -0.190 0.000 1.230 440 P CA 0.186 63.215 63.100 -0.119 0.000 0.788 440 P CB 1.027 32.658 31.700 -0.114 0.000 0.949 441 G N 0.273 108.757 108.800 -0.527 0.000 2.320 441 G HA2 0.089 3.768 3.960 -0.468 0.000 0.274 441 G HA3 0.089 3.768 3.960 -0.468 0.000 0.274 441 G C -1.850 172.666 174.900 -0.640 0.000 1.324 441 G CA -0.844 43.885 45.100 -0.619 0.000 0.957 441 G HN 0.308 nan 8.290 nan 0.000 0.481 442 Y N 0.111 120.318 120.300 -0.154 0.000 2.316 442 Y HA 0.678 4.947 4.550 -0.468 0.000 0.331 442 Y C -0.023 175.736 175.900 -0.234 0.000 1.083 442 Y CA 0.245 58.326 58.100 -0.033 0.000 1.206 442 Y CB 1.140 39.632 38.460 0.053 0.000 1.195 442 Y HN 0.484 nan 8.280 nan 0.000 0.497 443 Y N 1.068 121.426 120.300 0.097 0.000 2.512 443 Y HA 0.333 4.602 4.550 -0.469 0.000 0.348 443 Y C -0.291 175.664 175.900 0.092 0.000 0.990 443 Y CA -1.509 56.631 58.100 0.066 0.000 1.033 443 Y CB 1.448 39.894 38.460 -0.024 0.000 1.259 443 Y HN 0.518 nan 8.280 nan 0.000 0.461 444 N N 2.613 121.454 118.700 0.236 0.000 2.408 444 N HA 0.209 4.668 4.740 -0.468 0.000 0.257 444 N C -1.329 174.326 175.510 0.243 0.000 1.064 444 N CA -0.323 52.847 53.050 0.201 0.000 0.952 444 N CB 1.329 39.921 38.487 0.174 0.000 1.093 444 N HN 0.477 nan 8.380 nan 0.000 0.490 445 L N 2.256 123.619 121.223 0.235 0.000 2.265 445 L HA 0.412 4.471 4.340 -0.468 0.000 0.289 445 L C -0.377 176.732 176.870 0.398 0.000 1.033 445 L CA -0.085 54.944 54.840 0.315 0.000 0.814 445 L CB 0.814 43.079 42.059 0.344 0.000 1.203 445 L HN 0.278 nan 8.230 nan 0.000 0.423 446 S N 5.777 121.713 115.700 0.393 0.000 2.503 446 S HA 0.754 4.943 4.470 -0.468 0.000 0.301 446 S C -0.745 174.046 174.600 0.318 0.000 1.087 446 S CA -0.588 57.853 58.200 0.403 0.000 1.042 446 S CB 1.462 64.902 63.200 0.400 0.000 1.043 446 S HN 0.553 nan 8.310 nan 0.000 0.489 447 L N 2.506 123.812 121.223 0.139 0.000 2.356 447 L HA 0.600 4.659 4.340 -0.468 0.000 0.277 447 L C -0.255 176.458 176.870 -0.261 0.000 0.996 447 L CA -0.898 53.893 54.840 -0.080 0.000 0.822 447 L CB 1.576 43.489 42.059 -0.242 0.000 1.256 447 L HN 0.421 nan 8.230 nan 0.000 0.413 448 R N 3.211 123.374 120.500 -0.561 0.000 2.196 448 R HA 0.579 4.638 4.340 -0.468 0.000 0.340 448 R C -1.034 175.180 176.300 -0.144 0.000 1.043 448 R CA -0.382 55.281 56.100 -0.730 0.000 0.883 448 R CB 0.664 29.756 30.300 -2.014 0.000 1.078 448 R HN 0.472 nan 8.270 nan 0.000 0.462 449 V N 0.622 120.571 119.914 0.059 0.000 3.102 449 V HA 1.026 4.865 4.120 -0.468 0.000 0.312 449 V C -0.910 175.068 176.094 -0.193 0.000 1.135 449 V CA -0.899 61.448 62.300 0.079 0.000 1.022 449 V CB 1.998 33.775 31.823 -0.076 0.000 1.056 449 V HN 0.786 nan 8.190 nan 0.000 0.436 450 A N 0.605 123.086 122.820 -0.563 0.000 2.488 450 A HA 1.072 5.112 4.320 -0.468 0.000 0.298 450 A C -0.048 177.162 177.584 -0.624 0.000 1.044 450 A CA 0.086 51.601 52.037 -0.869 0.000 0.693 450 A CB 1.469 19.379 19.000 -1.816 0.000 1.272 450 A HN 2.606 nan 8.150 nan 0.000 0.402 451 G N 0.072 108.480 108.800 -0.654 0.000 2.336 451 G HA2 0.566 4.245 3.960 -0.468 0.000 0.286 451 G HA3 0.566 4.245 3.960 -0.468 0.000 0.286 451 G C -0.695 173.803 174.900 -0.670 0.000 1.269 451 G CA 0.023 44.611 45.100 -0.854 0.000 0.873 451 G HN 1.677 nan 8.290 nan 0.000 0.494 452 I N -1.464 118.756 120.570 -0.583 0.000 3.709 452 I HA 0.821 4.710 4.170 -0.468 0.000 0.274 452 I C 0.885 176.888 176.117 -0.190 0.000 1.240 452 I CA -0.530 60.566 61.300 -0.340 0.000 1.076 452 I CB 1.516 39.353 38.000 -0.273 0.000 1.389 452 I HN 0.754 nan 8.210 nan 0.000 0.529 453 S N -0.055 115.573 115.700 -0.119 0.000 2.579 453 S HA 0.429 4.618 4.470 -0.468 0.000 0.275 453 S C 0.945 175.516 174.600 -0.049 0.000 1.345 453 S CA 0.085 58.238 58.200 -0.078 0.000 1.031 453 S CB 0.554 63.722 63.200 -0.052 0.000 0.892 453 S HN 1.984 nan 8.310 nan 0.000 0.529 454 G N 0.705 109.479 108.800 -0.043 0.000 2.136 454 G HA2 -0.246 3.434 3.960 -0.468 0.000 0.242 454 G HA3 -0.246 3.434 3.960 -0.468 0.000 0.242 454 G C 0.123 175.012 174.900 -0.019 0.000 0.989 454 G CA 0.174 45.262 45.100 -0.020 0.000 0.682 454 G HN 1.861 nan 8.290 nan 0.000 0.522 455 S N -0.181 115.480 115.700 -0.065 0.000 2.545 455 S HA 0.791 4.980 4.470 -0.468 0.000 0.275 455 S C 0.178 174.638 174.600 -0.234 0.000 1.299 455 S CA 0.190 58.322 58.200 -0.115 0.000 1.048 455 S CB 1.519 64.623 63.200 -0.161 0.000 0.938 455 S HN 1.266 nan 8.310 nan 0.000 0.496 456 R N 0.312 120.669 120.500 -0.239 0.000 2.643 456 R HA 0.769 4.828 4.340 -0.468 0.000 0.269 456 R C -1.210 174.976 176.300 -0.190 0.000 1.037 456 R CA -1.094 54.887 56.100 -0.199 0.000 0.894 456 R CB 1.288 31.564 30.300 -0.039 0.000 1.238 456 R HN 0.684 nan 8.270 nan 0.000 0.459 457 V N -1.709 118.105 119.914 -0.165 0.000 3.158 457 V HA 0.676 4.515 4.120 -0.468 0.000 0.311 457 V C -1.163 175.006 176.094 0.124 0.000 1.181 457 V CA -0.818 61.461 62.300 -0.035 0.000 1.054 457 V CB 2.118 33.853 31.823 -0.147 0.000 1.085 457 V HN 0.895 nan 8.190 nan 0.000 0.446 458 Q N 0.779 120.677 119.800 0.164 0.000 2.309 458 Q HA 0.638 4.697 4.340 -0.468 0.000 0.273 458 Q C -2.369 173.752 176.000 0.202 0.000 1.040 458 Q CA -0.417 55.508 55.803 0.203 0.000 0.834 458 Q CB 2.543 31.368 28.738 0.145 0.000 1.345 458 Q HN 0.866 nan 8.270 nan 0.000 0.414 459 V N 2.360 122.423 119.914 0.248 0.000 2.487 459 V HA 0.544 4.383 4.120 -0.468 0.000 0.298 459 V C -0.272 175.944 176.094 0.203 0.000 1.028 459 V CA -0.545 61.883 62.300 0.214 0.000 0.860 459 V CB 1.810 33.819 31.823 0.311 0.000 0.991 459 V HN 0.767 nan 8.190 nan 0.000 0.427 460 S N 3.941 119.685 115.700 0.073 0.000 2.593 460 S HA 0.819 5.008 4.470 -0.468 0.000 0.297 460 S C -1.003 173.570 174.600 -0.044 0.000 1.112 460 S CA -0.336 57.922 58.200 0.096 0.000 1.043 460 S CB 1.223 64.433 63.200 0.016 0.000 1.054 460 S HN 0.467 nan 8.310 nan 0.000 0.516 461 F N 0.849 120.806 119.950 0.013 0.000 2.499 461 F HA 0.529 4.775 4.527 -0.469 0.000 0.333 461 F C 1.042 176.826 175.800 -0.027 0.000 1.138 461 F CA -0.611 57.384 58.000 -0.008 0.000 0.945 461 F CB 1.414 40.400 39.000 -0.024 0.000 1.181 461 F HN 0.827 nan 8.300 nan 0.000 0.435 462 G N 3.317 112.163 108.800 0.077 0.000 2.341 462 G HA2 -0.374 3.305 3.960 -0.468 0.000 0.292 462 G HA3 -0.374 3.305 3.960 -0.468 0.000 0.292 462 G C 0.534 175.436 174.900 0.004 0.000 1.021 462 G CA 0.523 45.635 45.100 0.021 0.000 0.905 462 G HN 0.862 nan 8.290 nan 0.000 0.508 463 N N -1.763 116.927 118.700 -0.016 0.000 2.782 463 N HA -0.163 4.296 4.740 -0.468 0.000 0.251 463 N C 0.286 175.795 175.510 -0.002 0.000 1.101 463 N CA 1.950 54.977 53.050 -0.039 0.000 0.764 463 N CB -0.852 37.594 38.487 -0.068 0.000 1.122 463 N HN 0.897 nan 8.380 nan 0.000 0.561 464 Q N 0.446 120.274 119.800 0.047 0.000 2.316 464 Q HA 0.277 4.336 4.340 -0.468 0.000 0.264 464 Q C -0.591 175.473 176.000 0.107 0.000 0.987 464 Q CA -0.770 55.071 55.803 0.064 0.000 0.852 464 Q CB 1.696 30.476 28.738 0.069 0.000 1.287 464 Q HN 0.038 nan 8.270 nan 0.000 0.448 465 D N 2.177 122.627 120.400 0.083 0.000 2.401 465 D HA -0.017 4.342 4.640 -0.468 0.000 0.254 465 D C 0.121 176.496 176.300 0.125 0.000 1.192 465 D CA 0.333 54.397 54.000 0.106 0.000 0.885 465 D CB 0.779 41.622 40.800 0.071 0.000 1.147 465 D HN 0.263 nan 8.370 nan 0.000 0.478 466 K N 2.044 122.555 120.400 0.184 0.000 2.355 466 K HA 0.065 4.104 4.320 -0.468 0.000 0.198 466 K C 1.308 177.967 176.600 0.098 0.000 1.039 466 K CA 0.413 56.782 56.287 0.136 0.000 1.075 466 K CB 0.676 33.249 32.500 0.122 0.000 0.870 466 K HN 0.604 nan 8.250 nan 0.000 0.540 467 T N -3.333 111.292 114.554 0.117 0.000 2.964 467 T HA 0.263 4.332 4.350 -0.468 0.000 0.250 467 T C 1.087 175.811 174.700 0.040 0.000 0.982 467 T CA 0.513 62.644 62.100 0.051 0.000 0.959 467 T CB 0.455 69.404 68.868 0.135 0.000 1.141 467 T HN 0.222 nan 8.240 nan 0.000 0.494 468 G N 1.598 110.443 108.800 0.075 0.000 2.641 468 G HA2 -0.185 3.494 3.960 -0.468 0.000 0.254 468 G HA3 -0.185 3.494 3.960 -0.468 0.000 0.254 468 G C -0.282 174.687 174.900 0.114 0.000 1.315 468 G CA -0.445 44.699 45.100 0.073 0.000 0.907 468 G HN 0.909 nan 8.290 nan 0.000 0.572 469 V N 0.623 120.598 119.914 0.101 0.000 2.529 469 V HA 0.326 4.165 4.120 -0.468 0.000 0.292 469 V C 0.256 176.469 176.094 0.199 0.000 1.028 469 V CA 0.705 63.084 62.300 0.132 0.000 1.074 469 V CB 1.101 32.978 31.823 0.089 0.000 0.958 469 V HN 0.697 nan 8.190 nan 0.000 0.481 470 W N 5.482 126.780 121.300 -0.004 0.000 2.336 470 W HA 0.446 4.825 4.660 -0.468 0.000 0.315 470 W C -0.104 176.379 176.519 -0.059 0.000 1.016 470 W CA -1.367 55.965 57.345 -0.020 0.000 1.318 470 W CB 0.906 30.360 29.460 -0.012 0.000 1.247 470 W HN 0.545 nan 8.180 nan 0.000 0.414 471 E N 6.213 126.595 120.200 0.303 0.000 2.166 471 E HA 0.143 4.212 4.350 -0.468 0.000 0.279 471 E C -0.020 176.597 176.600 0.029 0.000 1.095 471 E CA -0.136 56.321 56.400 0.095 0.000 0.888 471 E CB 1.056 30.807 29.700 0.085 0.000 1.041 471 E HN 0.475 nan 8.360 nan 0.000 0.414 472 L N 5.130 126.225 121.223 -0.214 0.000 2.399 472 L HA 0.300 4.359 4.340 -0.468 0.000 0.266 472 L C -1.766 174.992 176.870 -0.186 0.000 1.114 472 L CA -1.952 52.689 54.840 -0.332 0.000 0.804 472 L CB 0.415 42.121 42.059 -0.589 0.000 1.146 472 L HN 0.229 nan 8.230 nan 0.000 0.451 473 P HA 0.140 nan 4.420 nan 0.000 0.276 473 P C -0.894 176.316 177.300 -0.150 0.000 1.230 473 P CA -0.409 62.628 63.100 -0.105 0.000 0.776 473 P CB 0.959 32.618 31.700 -0.068 0.000 0.888 474 A N 2.646 125.387 122.820 -0.131 0.000 2.401 474 A HA 0.378 4.417 4.320 -0.468 0.000 0.259 474 A C 1.290 178.775 177.584 -0.164 0.000 1.103 474 A CA 0.206 52.145 52.037 -0.163 0.000 0.789 474 A CB -0.249 18.672 19.000 -0.131 0.000 1.035 474 A HN 0.653 nan 8.150 nan 0.000 0.491 475 T N -1.166 113.255 114.554 -0.222 0.000 3.010 475 T HA 0.441 4.510 4.350 -0.468 0.000 0.257 475 T C 1.297 175.879 174.700 -0.197 0.000 1.020 475 T CA 1.025 63.003 62.100 -0.203 0.000 0.938 475 T CB 0.200 68.912 68.868 -0.260 0.000 1.049 475 T HN 2.348 nan 8.240 nan 0.000 0.522 476 G N 0.246 108.913 108.800 -0.222 0.000 2.199 476 G HA2 0.159 3.838 3.960 -0.468 0.000 0.254 476 G HA3 0.159 3.838 3.960 -0.468 0.000 0.254 476 G C 0.405 175.175 174.900 -0.218 0.000 0.982 476 G CA -0.322 44.666 45.100 -0.187 0.000 0.632 476 G HN 1.470 nan 8.290 nan 0.000 0.529 477 G N -1.965 106.642 108.800 -0.321 0.000 2.667 477 G HA2 0.581 4.260 3.960 -0.468 0.000 0.294 477 G HA3 0.581 4.260 3.960 -0.468 0.000 0.294 477 G C -0.053 174.567 174.900 -0.467 0.000 1.467 477 G CA -0.222 44.697 45.100 -0.301 0.000 0.852 477 G HN 0.269 nan 8.290 nan 0.000 0.521 478 F N -0.248 119.527 119.950 -0.291 0.000 2.748 478 F HA 0.135 4.381 4.527 -0.468 0.000 0.299 478 F C 2.133 177.635 175.800 -0.497 0.000 1.154 478 F CA 0.776 58.542 58.000 -0.391 0.000 1.446 478 F CB 0.616 39.424 39.000 -0.320 0.000 1.112 478 F HN 0.223 nan 8.300 nan 0.000 0.584 479 Q N -0.281 119.363 119.800 -0.261 0.000 2.115 479 Q HA 0.212 4.271 4.340 -0.468 0.000 0.249 479 Q C -0.369 175.469 176.000 -0.269 0.000 0.830 479 Q CA 0.144 55.817 55.803 -0.217 0.000 1.104 479 Q CB 0.813 29.631 28.738 0.132 0.000 1.207 479 Q HN 0.022 nan 8.270 nan 0.000 0.464 480 T N 0.761 115.024 114.554 -0.485 0.000 2.770 480 T HA 0.402 4.471 4.350 -0.468 0.000 0.297 480 T C -0.672 173.763 174.700 -0.442 0.000 0.997 480 T CA -0.333 61.594 62.100 -0.288 0.000 0.949 480 T CB 0.435 69.183 68.868 -0.199 0.000 0.941 480 T HN 0.100 nan 8.240 nan 0.000 0.457 481 W N 1.670 122.929 121.300 -0.069 0.000 2.570 481 W HA 0.654 5.033 4.660 -0.468 0.000 0.337 481 W C 0.617 177.085 176.519 -0.085 0.000 1.067 481 W CA -0.454 56.835 57.345 -0.093 0.000 1.229 481 W CB 1.746 31.152 29.460 -0.090 0.000 1.355 481 W HN 0.439 nan 8.180 nan 0.000 0.555 482 T N 0.734 115.357 114.554 0.116 0.000 2.843 482 T HA 0.521 4.590 4.350 -0.468 0.000 0.302 482 T C -1.094 173.612 174.700 0.011 0.000 1.232 482 T CA -0.544 61.586 62.100 0.050 0.000 1.009 482 T CB 1.217 70.081 68.868 -0.005 0.000 1.254 482 T HN 0.196 nan 8.240 nan 0.000 0.504 483 T N 2.567 117.138 114.554 0.028 0.000 2.756 483 T HA 0.697 4.766 4.350 -0.468 0.000 0.290 483 T C -0.266 174.478 174.700 0.073 0.000 0.985 483 T CA -0.472 61.640 62.100 0.021 0.000 0.955 483 T CB 0.942 69.885 68.868 0.125 0.000 0.930 483 T HN 0.788 nan 8.240 nan 0.000 0.451 484 A N 3.455 126.311 122.820 0.060 0.000 2.301 484 A HA 0.752 4.791 4.320 -0.468 0.000 0.312 484 A C 0.249 178.079 177.584 0.411 0.000 1.182 484 A CA -0.551 51.597 52.037 0.186 0.000 0.826 484 A CB 0.540 19.555 19.000 0.026 0.000 1.134 484 A HN 0.702 nan 8.150 nan 0.000 0.501 485 T N 1.534 116.362 114.554 0.456 0.000 2.893 485 T HA 0.680 4.749 4.350 -0.468 0.000 0.293 485 T C -0.419 174.368 174.700 0.145 0.000 1.027 485 T CA -0.506 61.816 62.100 0.369 0.000 0.988 485 T CB 1.427 70.430 68.868 0.225 0.000 1.043 485 T HN 0.774 nan 8.240 nan 0.000 0.461 486 R N 1.752 122.194 120.500 -0.096 0.000 2.604 486 R HA 0.395 4.454 4.340 -0.468 0.000 0.281 486 R C -1.070 175.140 176.300 -0.150 0.000 1.020 486 R CA -0.696 55.175 56.100 -0.382 0.000 0.899 486 R CB 1.716 31.321 30.300 -1.158 0.000 1.205 486 R HN 0.686 nan 8.270 nan 0.000 0.450 487 Q N 3.376 123.128 119.800 -0.080 0.000 2.314 487 Q HA 0.409 4.468 4.340 -0.468 0.000 0.258 487 Q C -0.794 175.239 176.000 0.055 0.000 0.954 487 Q CA -0.549 55.278 55.803 0.039 0.000 0.890 487 Q CB 1.243 30.014 28.738 0.056 0.000 1.210 487 Q HN 0.488 nan 8.270 nan 0.000 0.410 488 V N 1.104 121.087 119.914 0.115 0.000 3.001 488 V HA 0.673 4.512 4.120 -0.468 0.000 0.314 488 V C -1.283 174.884 176.094 0.122 0.000 1.099 488 V CA -1.118 61.218 62.300 0.060 0.000 0.989 488 V CB 1.718 33.475 31.823 -0.110 0.000 1.040 488 V HN 0.777 nan 8.190 nan 0.000 0.434 489 F N 3.097 122.971 119.950 -0.126 0.000 2.427 489 F HA 0.809 5.054 4.527 -0.469 0.000 0.348 489 F C -0.786 174.863 175.800 -0.251 0.000 1.125 489 F CA -0.702 57.133 58.000 -0.276 0.000 0.989 489 F CB 1.200 39.966 39.000 -0.390 0.000 1.165 489 F HN 0.527 nan 8.300 nan 0.000 0.442 490 L N 5.389 126.195 121.223 -0.695 0.000 2.342 490 L HA 0.678 4.737 4.340 -0.468 0.000 0.271 490 L C 0.551 177.127 176.870 -0.491 0.000 1.008 490 L CA -1.174 53.354 54.840 -0.520 0.000 0.818 490 L CB 1.766 43.480 42.059 -0.574 0.000 1.296 490 L HN 0.718 nan 8.230 nan 0.000 0.427 491 G N 0.590 109.241 108.800 -0.248 0.000 2.504 491 G HA2 0.568 4.247 3.960 -0.468 0.000 0.288 491 G HA3 0.568 4.247 3.960 -0.468 0.000 0.288 491 G C -0.281 174.547 174.900 -0.119 0.000 1.182 491 G CA -0.297 44.717 45.100 -0.143 0.000 0.894 491 G HN 0.754 nan 8.290 nan 0.000 0.521 492 A N -0.783 122.005 122.820 -0.053 0.000 2.332 492 A HA 0.827 4.866 4.320 -0.468 0.000 0.258 492 A C 0.949 178.514 177.584 -0.032 0.000 1.087 492 A CA 0.787 52.813 52.037 -0.018 0.000 0.802 492 A CB 0.116 19.152 19.000 0.060 0.000 1.042 492 A HN 2.586 nan 8.150 nan 0.000 0.489 493 G N -1.047 107.719 108.800 -0.056 0.000 2.408 493 G HA2 0.340 4.019 3.960 -0.468 0.000 0.682 493 G HA3 0.340 4.019 3.960 -0.468 0.000 0.682 493 G C -0.804 173.995 174.900 -0.168 0.000 1.303 493 G CA -0.391 44.630 45.100 -0.131 0.000 0.966 493 G HN 1.777 nan 8.290 nan 0.000 0.560 494 L N 1.302 122.373 121.223 -0.254 0.000 2.513 494 L HA 0.585 4.644 4.340 -0.468 0.000 0.272 494 L C 0.738 177.512 176.870 -0.161 0.000 1.187 494 L CA 1.085 55.759 54.840 -0.277 0.000 0.895 494 L CB 0.249 42.067 42.059 -0.401 0.000 1.147 494 L HN 0.931 nan 8.230 nan 0.000 0.483 495 Q N 3.778 123.509 119.800 -0.114 0.000 2.479 495 Q HA 0.410 4.469 4.340 -0.468 0.000 0.276 495 Q C -1.588 174.387 176.000 -0.042 0.000 0.989 495 Q CA -1.075 54.696 55.803 -0.054 0.000 0.864 495 Q CB 1.210 29.953 28.738 0.007 0.000 1.444 495 Q HN 0.481 nan 8.270 nan 0.000 0.388 496 K N 1.827 122.198 120.400 -0.048 0.000 2.258 496 K HA 0.355 4.394 4.320 -0.468 0.000 0.284 496 K C -0.589 175.945 176.600 -0.111 0.000 1.051 496 K CA -0.474 55.781 56.287 -0.054 0.000 0.923 496 K CB 1.235 33.697 32.500 -0.063 0.000 1.046 496 K HN 0.553 nan 8.250 nan 0.000 0.474 497 L N 4.179 125.320 121.223 -0.137 0.000 2.278 497 L HA 0.250 4.309 4.340 -0.468 0.000 0.287 497 L C -0.313 176.506 176.870 -0.086 0.000 1.072 497 L CA -0.338 54.278 54.840 -0.374 0.000 0.819 497 L CB 0.356 42.194 42.059 -0.368 0.000 1.176 497 L HN 0.565 nan 8.230 nan 0.000 0.435 498 R N 6.049 126.464 120.500 -0.141 0.000 2.393 498 R HA 0.514 4.573 4.340 -0.468 0.000 0.315 498 R C -1.191 175.158 176.300 0.080 0.000 0.952 498 R CA -0.599 55.518 56.100 0.029 0.000 0.842 498 R CB 1.097 31.363 30.300 -0.058 0.000 1.163 498 R HN 0.671 nan 8.270 nan 0.000 0.450 499 I N 4.421 125.124 120.570 0.220 0.000 2.312 499 I HA 0.194 4.083 4.170 -0.468 0.000 0.291 499 I C -0.257 176.023 176.117 0.273 0.000 1.031 499 I CA -0.635 60.806 61.300 0.235 0.000 1.293 499 I CB 1.180 39.352 38.000 0.287 0.000 1.403 499 I HN 0.467 nan 8.210 nan 0.000 0.484 500 N N 5.924 124.758 118.700 0.223 0.000 2.437 500 N HA 0.375 4.834 4.740 -0.468 0.000 0.259 500 N C -0.320 175.338 175.510 0.247 0.000 0.983 500 N CA -0.346 52.850 53.050 0.244 0.000 0.937 500 N CB 2.112 40.688 38.487 0.149 0.000 1.122 500 N HN 0.632 nan 8.380 nan 0.000 0.499 501 A N 3.320 126.318 122.820 0.296 0.000 2.395 501 A HA 0.230 4.270 4.320 -0.468 0.000 0.286 501 A C 1.175 178.902 177.584 0.238 0.000 1.193 501 A CA -0.233 51.995 52.037 0.319 0.000 0.852 501 A CB -0.176 19.011 19.000 0.311 0.000 1.118 501 A HN 0.769 nan 8.150 nan 0.000 0.524 502 L N 2.374 123.710 121.223 0.187 0.000 2.592 502 L HA 0.127 4.186 4.340 -0.468 0.000 0.227 502 L C 0.982 177.932 176.870 0.133 0.000 1.127 502 L CA 0.622 55.545 54.840 0.138 0.000 0.884 502 L CB -0.435 41.683 42.059 0.099 0.000 1.065 502 L HN 0.855 nan 8.230 nan 0.000 0.457 503 S N -2.017 113.794 115.700 0.184 0.000 2.688 503 S HA 0.711 4.900 4.470 -0.468 0.000 0.275 503 S C -0.230 174.516 174.600 0.244 0.000 1.175 503 S CA -0.272 58.033 58.200 0.175 0.000 0.818 503 S CB 1.531 64.811 63.200 0.132 0.000 1.157 503 S HN -0.009 nan 8.310 nan 0.000 0.482 504 G N -0.837 108.073 108.800 0.183 0.000 2.641 504 G HA2 0.569 4.248 3.960 -0.468 0.000 0.239 504 G HA3 0.569 4.248 3.960 -0.468 0.000 0.239 504 G C 0.932 175.977 174.900 0.242 0.000 1.402 504 G CA -0.404 44.788 45.100 0.153 0.000 1.046 504 G HN 2.257 nan 8.290 nan 0.000 0.565 505 G N -2.202 106.716 108.800 0.197 0.000 2.143 505 G HA2 0.060 3.739 3.960 -0.468 0.000 0.249 505 G HA3 0.060 3.739 3.960 -0.468 0.000 0.249 505 G C 0.042 175.096 174.900 0.256 0.000 0.981 505 G CA 0.928 46.192 45.100 0.273 0.000 0.665 505 G HN 1.796 nan 8.290 nan 0.000 0.528 506 F N -1.168 118.822 119.950 0.066 0.000 2.626 506 F HA 0.830 5.076 4.527 -0.468 0.000 0.311 506 F C -0.825 174.986 175.800 0.019 0.000 1.088 506 F CA -2.312 55.649 58.000 -0.065 0.000 0.949 506 F CB 0.798 39.707 39.000 -0.151 0.000 1.322 506 F HN -0.077 nan 8.300 nan 0.000 0.461 507 N N 1.313 119.980 118.700 -0.055 0.000 2.404 507 N HA 0.674 5.133 4.740 -0.468 0.000 0.297 507 N C -1.932 173.685 175.510 0.179 0.000 1.163 507 N CA -0.544 52.478 53.050 -0.047 0.000 0.864 507 N CB 2.204 40.693 38.487 0.003 0.000 1.247 507 N HN 0.819 nan 8.380 nan 0.000 0.510 508 L N 1.886 123.246 121.223 0.228 0.000 2.406 508 L HA 0.449 4.508 4.340 -0.468 0.000 0.272 508 L C 0.528 177.506 176.870 0.180 0.000 0.980 508 L CA -0.323 54.672 54.840 0.259 0.000 0.831 508 L CB 1.445 43.625 42.059 0.202 0.000 1.253 508 L HN 0.455 nan 8.230 nan 0.000 0.406 509 N N 4.703 123.399 118.700 -0.006 0.000 2.258 509 N HA 0.146 4.605 4.740 -0.468 0.000 0.183 509 N C -0.767 174.727 175.510 -0.027 0.000 1.029 509 N CA 1.207 54.102 53.050 -0.259 0.000 0.857 509 N CB 0.398 38.372 38.487 -0.855 0.000 1.008 509 N HN 0.626 nan 8.380 nan 0.000 0.433 510 W N -0.886 120.402 121.300 -0.020 0.000 2.989 510 W HA 0.487 4.866 4.660 -0.468 0.000 0.344 510 W C -1.715 174.794 176.519 -0.017 0.000 1.233 510 W CA -0.809 56.519 57.345 -0.029 0.000 1.187 510 W CB 0.257 29.685 29.460 -0.054 0.000 1.443 510 W HN -0.324 nan 8.180 nan 0.000 0.573 511 I N 1.436 122.274 120.570 0.446 0.000 2.509 511 I HA 0.334 4.223 4.170 -0.468 0.000 0.293 511 I C -0.458 175.874 176.117 0.358 0.000 1.020 511 I CA -0.676 60.809 61.300 0.307 0.000 1.088 511 I CB 2.335 40.336 38.000 0.002 0.000 1.267 511 I HN 0.296 nan 8.210 nan 0.000 0.430 512 E N 4.874 125.301 120.200 0.379 0.000 2.238 512 E HA 0.638 4.707 4.350 -0.468 0.000 0.267 512 E C -1.587 175.139 176.600 0.211 0.000 0.887 512 E CA -0.938 55.591 56.400 0.214 0.000 0.769 512 E CB 3.101 32.906 29.700 0.176 0.000 1.187 512 E HN 0.243 nan 8.360 nan 0.000 0.416 513 L N 1.972 123.287 121.223 0.154 0.000 2.406 513 L HA 0.416 4.475 4.340 -0.468 0.000 0.270 513 L C -1.373 175.622 176.870 0.208 0.000 0.982 513 L CA -0.109 54.846 54.840 0.192 0.000 0.843 513 L CB 1.790 43.933 42.059 0.140 0.000 1.225 513 L HN 0.375 nan 8.230 nan 0.000 0.412 514 S N 6.480 122.343 115.700 0.271 0.000 2.561 514 S HA 0.742 4.931 4.470 -0.468 0.000 0.303 514 S C -2.770 171.944 174.600 0.191 0.000 1.110 514 S CA -1.324 56.986 58.200 0.183 0.000 1.034 514 S CB 1.519 64.793 63.200 0.124 0.000 1.010 514 S HN 0.457 nan 8.310 nan 0.000 0.482 515 P HA 0.192 nan 4.420 nan 0.000 0.268 515 P C 0.561 177.937 177.300 0.127 0.000 1.205 515 P CA -0.179 62.754 63.100 -0.279 0.000 0.771 515 P CB 0.640 32.212 31.700 -0.214 0.000 0.858 516 I N 1.760 122.320 120.570 -0.018 0.000 2.235 516 I HA 0.006 3.895 4.170 -0.468 0.000 0.241 516 I C 1.424 177.569 176.117 0.046 0.000 1.085 516 I CA 1.705 63.052 61.300 0.078 0.000 1.378 516 I CB -0.285 37.730 38.000 0.025 0.000 1.076 516 I HN 0.303 nan 8.210 nan 0.000 0.415 517 L N 0.000 121.227 121.223 0.007 0.000 2.949 517 L HA 0.000 4.059 4.340 -0.468 0.000 0.249 517 L CA 0.000 nan 54.840 nan 0.000 0.813 517 L CB 0.000 nan 42.059 nan 0.000 0.961 517 L HN 0.000 nan 8.230 nan 0.000 0.502