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 2w54_1_F DATA FIRST_RESID 2 DATA SEQUENCE SVGKPLPHDS ARAHVTGQAR YLDDLPCPAN TLHLAFGLST EASAAITGLD DATA SEQUENCE LEPVRESPGV IAVFTAADLP HDNDASPAPS PEPVLATGEV HFVGQPIFLV DATA SEQUENCE AATSHRAARI AARKARITYA PRPAILTLDQ ALAADSRFEG GPVIWARGDV DATA SEQUENCE ETALAGAAHL AEGCFEIGGQ EHFYLEGQAA LALPAEGGVV IHCSSQHPSE DATA SEQUENCE IQHKVAHALG LAFHDVRVEM RRMGGGFGGK ESQGNHLAIA CAVAARATGR DATA SEQUENCE PCKMRYDRDD DMVITGKRHD FRIRYRIGAD ASGKLLGADF VHLARCGWSA DATA SEQUENCE DLSLPVCDRA MLHADGSYFV PALRIESHRL RTNTQSNTAF RGFGGPQGAL DATA SEQUENCE GMERAIEHLA RGMGRDPAEL RALNFYDPPE XXXXXXXXXX XXXXXXKKTQ DATA SEQUENCE TTHYGQEVAD CVLGELVTRL QKSANFTTRR AEIAAWNSTN RTLARGIALS DATA SEQUENCE PVKFGISFTL THLNQAGALV QIYTDGSVAL NHGGTEMGQG LHAKMVQVAA DATA SEQUENCE AVLGIDPVQV RITATDTSKV PNTSATAASS GADMNGMAVK DACETLRGRL DATA SEQUENCE AGFVAAREGC AARDVIFDAG QVQASGKSWR FAEIVAAAYM ARISLSATGF DATA SEQUENCE YATPKLSWDR LRGQGRPFLY FAYGAAITEV VIDRLTGENR ILRTDILHDA DATA SEQUENCE GASLNPALDI GQIEGAYVQG AGWLTTEELV WDHCGRLMTH APSTYKIPAF DATA SEQUENCE SDRPRIFNVA LWDQPNREET IFRSKAVGEP PFLLGISAFL ALHDACAACG DATA SEQUENCE PHWPDLQAPA TPEAVLAAVR RAEGRA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.479 174.600 -0.201 0.000 1.055 2 S CA 0.000 58.110 58.200 -0.150 0.000 1.107 2 S CB 0.000 63.123 63.200 -0.128 0.000 0.593 3 V N 2.800 122.515 119.914 -0.332 0.000 2.599 3 V HA 0.467 4.587 4.120 0.000 0.000 0.300 3 V C 1.732 177.659 176.094 -0.278 0.000 1.034 3 V CA 1.728 63.779 62.300 -0.415 0.000 1.115 3 V CB 0.388 31.654 31.823 -0.928 0.000 0.934 3 V HN 0.971 nan 8.190 nan 0.000 0.485 4 G N 3.845 112.532 108.800 -0.187 0.000 2.213 4 G HA2 -0.176 3.784 3.960 0.000 0.000 0.226 4 G HA3 -0.176 3.784 3.960 0.000 0.000 0.226 4 G C 0.286 175.135 174.900 -0.085 0.000 0.992 4 G CA -0.291 44.738 45.100 -0.118 0.000 0.632 4 G HN 0.532 nan 8.290 nan 0.000 0.511 5 K N 1.333 121.678 120.400 -0.090 0.000 2.295 5 K HA 0.353 4.673 4.320 0.000 0.000 0.270 5 K C -2.273 174.298 176.600 -0.048 0.000 1.011 5 K CA -1.322 54.926 56.287 -0.065 0.000 0.953 5 K CB 1.378 33.838 32.500 -0.067 0.000 0.956 5 K HN 0.132 nan 8.250 nan 0.000 0.477 6 P HA 0.176 nan 4.420 nan 0.000 0.214 6 P C -0.348 176.943 177.300 -0.015 0.000 1.826 6 P CA -0.084 63.003 63.100 -0.021 0.000 0.977 6 P CB -0.089 31.601 31.700 -0.016 0.000 1.930 7 L N 2.271 123.482 121.223 -0.021 0.000 2.418 7 L HA 0.407 4.747 4.340 0.000 0.000 0.265 7 L C -1.567 175.305 176.870 0.003 0.000 1.143 7 L CA -2.142 52.688 54.840 -0.016 0.000 0.809 7 L CB 0.079 42.119 42.059 -0.032 0.000 1.124 7 L HN 0.046 nan 8.230 nan 0.000 0.456 8 P HA 0.060 nan 4.420 nan 0.000 0.278 8 P C -0.626 176.712 177.300 0.063 0.000 1.266 8 P CA -0.456 62.673 63.100 0.049 0.000 0.807 8 P CB 0.466 32.193 31.700 0.045 0.000 1.094 9 H N 1.813 120.895 119.070 0.020 0.000 3.016 9 H HA -0.096 4.460 4.556 0.000 0.000 0.345 9 H C 1.269 176.591 175.328 -0.011 0.000 1.066 9 H CA 1.124 57.189 56.048 0.028 0.000 1.390 9 H CB 0.631 30.441 29.762 0.079 0.000 1.344 9 H HN 0.549 nan 8.280 nan 0.000 0.605 10 D N 1.947 122.062 120.400 -0.476 0.000 2.221 10 D HA -0.132 4.508 4.640 0.000 0.000 0.204 10 D C 0.356 176.587 176.300 -0.115 0.000 0.982 10 D CA 1.075 54.931 54.000 -0.239 0.000 0.857 10 D CB 0.111 40.785 40.800 -0.211 0.000 0.934 10 D HN 0.264 nan 8.370 nan 0.000 0.475 11 S N -0.401 115.286 115.700 -0.022 0.000 2.754 11 S HA 0.477 4.947 4.470 0.000 0.000 0.247 11 S C 1.449 175.761 174.600 -0.481 0.000 1.031 11 S CA -0.022 58.067 58.200 -0.185 0.000 1.014 11 S CB 1.123 64.224 63.200 -0.166 0.000 0.918 11 S HN 0.449 nan 8.310 nan 0.000 0.519 12 A N 2.332 125.052 122.820 -0.168 0.000 1.978 12 A HA -0.139 4.181 4.320 0.000 0.000 0.220 12 A C 2.075 179.627 177.584 -0.054 0.000 1.170 12 A CA 1.417 53.403 52.037 -0.086 0.000 0.636 12 A CB -0.389 18.652 19.000 0.069 0.000 0.810 12 A HN 0.441 nan 8.150 nan 0.000 0.448 13 R N -0.796 119.670 120.500 -0.056 0.000 2.115 13 R HA 0.017 4.357 4.340 0.000 0.000 0.226 13 R C 2.279 178.571 176.300 -0.014 0.000 1.100 13 R CA 1.098 57.187 56.100 -0.017 0.000 0.980 13 R CB -0.271 30.020 30.300 -0.016 0.000 0.875 13 R HN 0.467 nan 8.270 nan 0.000 0.445 14 A N -0.093 122.689 122.820 -0.063 0.000 1.929 14 A HA -0.132 4.188 4.320 0.000 0.000 0.216 14 A C 1.643 179.278 177.584 0.085 0.000 1.176 14 A CA 1.199 53.224 52.037 -0.020 0.000 0.628 14 A CB -0.663 18.303 19.000 -0.056 0.000 0.816 14 A HN 0.504 nan 8.150 nan 0.000 0.444 15 H N -1.383 117.725 119.070 0.064 0.000 2.319 15 H HA -0.106 4.450 4.556 0.000 0.000 0.299 15 H C 2.092 177.463 175.328 0.071 0.000 1.092 15 H CA 1.095 57.193 56.048 0.083 0.000 1.302 15 H CB -0.057 29.747 29.762 0.071 0.000 1.373 15 H HN 0.269 nan 8.280 nan 0.000 0.497 16 V N 0.904 120.927 119.914 0.182 0.000 2.490 16 V HA -0.218 3.902 4.120 0.000 0.000 0.250 16 V C 2.362 178.506 176.094 0.084 0.000 1.061 16 V CA 2.276 64.644 62.300 0.113 0.000 1.064 16 V CB -0.381 31.491 31.823 0.082 0.000 0.670 16 V HN 0.710 nan 8.190 nan 0.000 0.461 17 T N -3.678 110.922 114.554 0.075 0.000 3.044 17 T HA 0.302 4.652 4.350 0.000 0.000 0.250 17 T C 1.519 176.257 174.700 0.065 0.000 1.081 17 T CA 0.752 62.886 62.100 0.056 0.000 1.040 17 T CB 0.668 69.558 68.868 0.037 0.000 0.962 17 T HN 0.882 nan 8.240 nan 0.000 0.506 18 G N 1.611 110.468 108.800 0.094 0.000 2.148 18 G HA2 -0.316 3.644 3.960 0.000 0.000 0.254 18 G HA3 -0.316 3.644 3.960 0.000 0.000 0.254 18 G C 0.662 175.611 174.900 0.082 0.000 0.981 18 G CA 0.454 45.617 45.100 0.105 0.000 0.670 18 G HN 0.564 nan 8.290 nan 0.000 0.528 19 Q N -0.169 119.667 119.800 0.059 0.000 2.378 19 Q HA 0.422 4.762 4.340 0.000 0.000 0.205 19 Q C 1.811 177.812 176.000 0.002 0.000 0.954 19 Q CA 0.526 56.344 55.803 0.025 0.000 0.901 19 Q CB 0.173 28.917 28.738 0.011 0.000 0.981 19 Q HN 0.921 nan 8.270 nan 0.000 0.483 20 A N 1.736 124.569 122.820 0.021 0.000 2.548 20 A HA 0.077 4.397 4.320 0.000 0.000 0.247 20 A C -0.304 177.143 177.584 -0.228 0.000 1.067 20 A CA 0.197 52.189 52.037 -0.074 0.000 0.757 20 A CB 0.101 19.146 19.000 0.074 0.000 0.996 20 A HN 0.208 nan 8.150 nan 0.000 0.504 21 R N 1.626 121.946 120.500 -0.300 0.000 2.265 21 R HA 0.481 4.821 4.340 0.000 0.000 0.319 21 R C -1.242 174.777 176.300 -0.468 0.000 1.006 21 R CA -0.015 55.931 56.100 -0.257 0.000 0.880 21 R CB 0.871 31.088 30.300 -0.137 0.000 1.077 21 R HN 0.778 nan 8.270 nan 0.000 0.454 22 Y N 0.964 121.265 120.300 0.001 0.000 2.631 22 Y HA 0.160 4.710 4.550 -0.000 0.000 0.328 22 Y C 1.444 177.327 175.900 -0.029 0.000 1.118 22 Y CA -0.837 57.255 58.100 -0.013 0.000 1.206 22 Y CB 0.817 39.264 38.460 -0.022 0.000 1.337 22 Y HN 0.430 nan 8.280 nan 0.000 0.515 23 L N 0.606 121.905 121.223 0.127 0.000 1.997 23 L HA -0.289 4.051 4.340 0.000 0.000 0.216 23 L C 1.715 178.599 176.870 0.023 0.000 1.074 23 L CA 2.464 57.329 54.840 0.042 0.000 0.763 23 L CB -0.268 41.807 42.059 0.027 0.000 0.890 23 L HN 0.853 nan 8.230 nan 0.000 0.434 24 D N -0.717 119.702 120.400 0.031 0.000 2.218 24 D HA -0.201 4.439 4.640 0.000 0.000 0.204 24 D C 1.664 177.974 176.300 0.017 0.000 0.976 24 D CA 1.231 55.237 54.000 0.010 0.000 0.853 24 D CB -0.030 40.757 40.800 -0.022 0.000 0.939 24 D HN 0.476 nan 8.370 nan 0.000 0.481 25 D N -0.145 120.280 120.400 0.041 0.000 2.178 25 D HA -0.066 4.574 4.640 0.000 0.000 0.202 25 D C 0.583 176.880 176.300 -0.005 0.000 0.974 25 D CA 0.235 54.254 54.000 0.031 0.000 0.841 25 D CB -0.263 40.573 40.800 0.060 0.000 0.953 25 D HN 0.323 nan 8.370 nan 0.000 0.478 26 L N 3.119 124.325 121.223 -0.029 0.000 2.540 26 L HA 0.075 4.415 4.340 0.000 0.000 0.276 26 L C -1.828 175.013 176.870 -0.048 0.000 1.212 26 L CA -1.118 53.680 54.840 -0.069 0.000 0.893 26 L CB -0.404 41.572 42.059 -0.138 0.000 1.138 26 L HN -0.085 nan 8.230 nan 0.000 0.491 27 P HA 0.257 nan 4.420 nan 0.000 0.278 27 P C -1.039 176.241 177.300 -0.033 0.000 1.238 27 P CA -0.493 62.592 63.100 -0.026 0.000 0.794 27 P CB 1.213 32.899 31.700 -0.024 0.000 0.955 28 C N 0.315 119.608 119.300 -0.011 0.000 3.285 28 C HA 0.608 5.068 4.460 0.000 0.000 0.325 28 C C -2.750 172.239 174.990 -0.002 0.000 1.304 28 C CA -2.206 56.804 59.018 -0.013 0.000 1.319 28 C CB 0.103 27.833 27.740 -0.017 0.000 1.640 28 C HN 0.373 nan 8.230 nan 0.000 0.477 29 P HA 0.252 nan 4.420 nan 0.000 0.267 29 P C 0.940 178.242 177.300 0.002 0.000 1.201 29 P CA 0.604 63.703 63.100 -0.002 0.000 0.775 29 P CB 0.400 32.097 31.700 -0.005 0.000 0.854 30 A N 3.032 125.857 122.820 0.008 0.000 1.948 30 A HA -0.263 4.057 4.320 0.000 0.000 0.220 30 A C 1.810 179.401 177.584 0.012 0.000 1.177 30 A CA 2.123 54.170 52.037 0.017 0.000 0.636 30 A CB -1.228 17.782 19.000 0.017 0.000 0.815 30 A HN 0.772 nan 8.150 nan 0.000 0.449 31 N N 0.188 118.887 118.700 -0.000 0.000 2.453 31 N HA -0.063 4.677 4.740 0.000 0.000 0.183 31 N C 0.106 175.594 175.510 -0.037 0.000 1.041 31 N CA 1.172 54.217 53.050 -0.008 0.000 0.900 31 N CB -1.645 36.839 38.487 -0.004 0.000 0.961 31 N HN 0.258 nan 8.380 nan 0.000 0.443 32 T N 2.357 116.874 114.554 -0.062 0.000 2.765 32 T HA 0.005 4.355 4.350 0.000 0.000 0.275 32 T C 0.525 175.050 174.700 -0.292 0.000 1.007 32 T CA 0.250 62.261 62.100 -0.147 0.000 1.175 32 T CB 0.119 68.900 68.868 -0.146 0.000 0.993 32 T HN 0.149 nan 8.240 nan 0.000 0.510 33 L N 3.924 124.986 121.223 -0.268 0.000 2.399 33 L HA 0.460 4.800 4.340 0.000 0.000 0.265 33 L C 0.684 177.287 176.870 -0.445 0.000 1.089 33 L CA -0.949 53.736 54.840 -0.258 0.000 0.802 33 L CB 0.666 42.685 42.059 -0.067 0.000 1.180 33 L HN 0.617 nan 8.230 nan 0.000 0.454 34 H N 2.452 121.554 119.070 0.053 0.000 2.529 34 H HA 0.534 5.090 4.556 -0.000 0.000 0.348 34 H C -0.854 174.497 175.328 0.037 0.000 1.079 34 H CA -0.562 55.524 56.048 0.063 0.000 1.198 34 H CB 1.957 31.783 29.762 0.107 0.000 1.521 34 H HN 0.321 nan 8.280 nan 0.000 0.514 35 L N 1.525 122.821 121.223 0.121 0.000 2.330 35 L HA 0.811 5.151 4.340 0.000 0.000 0.271 35 L C 0.085 176.921 176.870 -0.057 0.000 1.013 35 L CA -1.046 53.798 54.840 0.006 0.000 0.816 35 L CB 1.826 43.838 42.059 -0.079 0.000 1.287 35 L HN 0.583 nan 8.230 nan 0.000 0.435 36 A N 1.686 124.441 122.820 -0.108 0.000 2.520 36 A HA 0.713 5.033 4.320 0.000 0.000 0.298 36 A C -1.244 176.245 177.584 -0.158 0.000 1.051 36 A CA -0.452 51.502 52.037 -0.138 0.000 0.690 36 A CB 1.020 19.958 19.000 -0.103 0.000 1.281 36 A HN 0.525 nan 8.150 nan 0.000 0.402 37 F N 1.004 120.929 119.950 -0.042 0.000 2.389 37 F HA 0.487 5.014 4.527 -0.000 0.000 0.337 37 F C 1.406 176.966 175.800 -0.399 0.000 1.112 37 F CA 0.142 58.034 58.000 -0.181 0.000 1.192 37 F CB 1.536 40.465 39.000 -0.119 0.000 1.185 37 F HN 0.664 nan 8.300 nan 0.000 0.552 38 G N 4.068 112.489 108.800 -0.632 0.000 2.329 38 G HA2 0.553 4.513 3.960 0.000 0.000 0.309 38 G HA3 0.553 4.513 3.960 0.000 0.000 0.309 38 G C -0.888 173.700 174.900 -0.519 0.000 1.110 38 G CA -0.583 43.921 45.100 -0.993 0.000 0.923 38 G HN 0.469 nan 8.290 nan 0.000 0.430 39 L N 1.560 122.623 121.223 -0.267 0.000 2.360 39 L HA 0.446 4.786 4.340 0.000 0.000 0.271 39 L C 1.061 177.831 176.870 -0.166 0.000 1.057 39 L CA -0.833 53.864 54.840 -0.237 0.000 0.803 39 L CB 1.757 43.678 42.059 -0.230 0.000 1.207 39 L HN 0.530 nan 8.230 nan 0.000 0.445 40 S N -0.210 115.345 115.700 -0.242 0.000 2.549 40 S HA 0.083 4.553 4.470 0.000 0.000 0.279 40 S C 1.003 175.463 174.600 -0.233 0.000 1.321 40 S CA -0.210 57.881 58.200 -0.181 0.000 1.054 40 S CB 0.724 63.730 63.200 -0.323 0.000 0.899 40 S HN 0.761 nan 8.310 nan 0.000 0.497 41 T N 1.246 115.684 114.554 -0.193 0.000 3.060 41 T HA 0.286 4.636 4.350 0.000 0.000 0.249 41 T C 0.165 174.632 174.700 -0.388 0.000 1.079 41 T CA -0.140 61.819 62.100 -0.236 0.000 1.013 41 T CB 0.026 68.829 68.868 -0.107 0.000 0.975 41 T HN 0.503 nan 8.240 nan 0.000 0.518 42 E N 0.838 120.669 120.200 -0.615 0.000 2.175 42 E HA 0.635 4.985 4.350 0.000 0.000 0.278 42 E C 0.818 177.196 176.600 -0.370 0.000 0.969 42 E CA -0.285 55.764 56.400 -0.584 0.000 0.796 42 E CB 1.790 30.931 29.700 -0.931 0.000 1.104 42 E HN 0.241 nan 8.360 nan 0.000 0.395 43 A N 2.720 125.395 122.820 -0.242 0.000 1.930 43 A HA -0.056 4.264 4.320 0.000 0.000 0.217 43 A C 1.035 178.547 177.584 -0.120 0.000 1.175 43 A CA 1.148 53.101 52.037 -0.141 0.000 0.627 43 A CB 0.296 19.244 19.000 -0.087 0.000 0.815 43 A HN 0.346 nan 8.150 nan 0.000 0.443 44 S N -1.878 113.735 115.700 -0.145 0.000 2.599 44 S HA 0.591 5.061 4.470 0.000 0.000 0.269 44 S C -0.847 173.677 174.600 -0.127 0.000 1.135 44 S CA 0.221 58.350 58.200 -0.119 0.000 1.027 44 S CB 0.491 63.664 63.200 -0.045 0.000 1.129 44 S HN 1.585 nan 8.310 nan 0.000 0.458 45 A N 2.902 125.638 122.820 -0.140 0.000 2.601 45 A HA 0.928 5.248 4.320 0.000 0.000 0.291 45 A C -0.769 176.801 177.584 -0.023 0.000 1.075 45 A CA -0.243 51.758 52.037 -0.061 0.000 0.671 45 A CB 0.756 19.722 19.000 -0.057 0.000 1.277 45 A HN 1.618 nan 8.150 nan 0.000 0.417 46 A N 0.349 123.188 122.820 0.031 0.000 2.306 46 A HA 0.721 5.041 4.320 0.000 0.000 0.314 46 A C -0.380 177.247 177.584 0.073 0.000 1.164 46 A CA -0.428 51.628 52.037 0.031 0.000 0.822 46 A CB 0.122 19.133 19.000 0.019 0.000 1.130 46 A HN 0.762 nan 8.150 nan 0.000 0.496 47 I N 2.579 123.168 120.570 0.032 0.000 2.322 47 I HA 0.126 4.296 4.170 0.000 0.000 0.292 47 I C 0.991 177.074 176.117 -0.056 0.000 1.060 47 I CA -0.096 61.179 61.300 -0.042 0.000 1.309 47 I CB 1.160 39.124 38.000 -0.060 0.000 1.415 47 I HN 0.804 nan 8.210 nan 0.000 0.492 48 T N 3.892 118.396 114.554 -0.083 0.000 2.901 48 T HA 0.132 4.482 4.350 0.000 0.000 0.252 48 T C 0.775 175.430 174.700 -0.075 0.000 1.035 48 T CA 0.407 62.471 62.100 -0.059 0.000 1.142 48 T CB 0.244 69.085 68.868 -0.045 0.000 0.869 48 T HN 0.753 nan 8.240 nan 0.000 0.442 49 G N 0.479 109.208 108.800 -0.118 0.000 2.667 49 G HA2 0.601 4.561 3.960 0.000 0.000 0.298 49 G HA3 0.601 4.561 3.960 0.000 0.000 0.298 49 G C -2.151 172.658 174.900 -0.152 0.000 1.377 49 G CA -0.556 44.477 45.100 -0.111 0.000 0.964 49 G HN 0.216 nan 8.290 nan 0.000 0.493 50 L N 1.567 122.714 121.223 -0.127 0.000 2.492 50 L HA 0.508 4.848 4.340 0.000 0.000 0.258 50 L C -1.313 175.468 176.870 -0.149 0.000 1.028 50 L CA -0.647 54.107 54.840 -0.144 0.000 0.900 50 L CB 1.745 43.737 42.059 -0.112 0.000 1.191 50 L HN 0.453 nan 8.230 nan 0.000 0.459 51 D N 3.936 124.243 120.400 -0.155 0.000 2.380 51 D HA 0.284 4.924 4.640 0.000 0.000 0.230 51 D C 0.410 176.586 176.300 -0.208 0.000 1.154 51 D CA 0.086 53.996 54.000 -0.149 0.000 0.859 51 D CB 0.860 41.594 40.800 -0.111 0.000 1.045 51 D HN 0.592 nan 8.370 nan 0.000 0.495 52 L N 3.124 124.208 121.223 -0.233 0.000 2.741 52 L HA 0.226 4.566 4.340 0.000 0.000 0.237 52 L C 1.584 178.333 176.870 -0.201 0.000 1.178 52 L CA -0.137 54.516 54.840 -0.312 0.000 0.973 52 L CB 0.233 42.069 42.059 -0.372 0.000 1.255 52 L HN 0.311 nan 8.230 nan 0.000 0.498 53 E N 1.460 121.574 120.200 -0.143 0.000 2.072 53 E HA -0.093 4.257 4.350 0.000 0.000 0.190 53 E C -0.767 175.785 176.600 -0.081 0.000 0.982 53 E CA 1.140 57.480 56.400 -0.100 0.000 0.803 53 E CB -0.518 29.135 29.700 -0.078 0.000 0.755 53 E HN 0.236 nan 8.360 nan 0.000 0.453 54 P HA -0.060 nan 4.420 nan 0.000 0.230 54 P C 0.836 178.107 177.300 -0.048 0.000 1.158 54 P CA 0.602 63.670 63.100 -0.052 0.000 0.769 54 P CB 0.262 31.936 31.700 -0.043 0.000 0.807 55 V N -0.172 119.693 119.914 -0.082 0.000 2.379 55 V HA -0.113 4.007 4.120 0.000 0.000 0.243 55 V C 2.418 178.488 176.094 -0.040 0.000 1.035 55 V CA 1.475 63.739 62.300 -0.060 0.000 1.035 55 V CB -0.779 30.953 31.823 -0.151 0.000 0.673 55 V HN 0.055 nan 8.190 nan 0.000 0.457 56 R N 0.106 120.566 120.500 -0.068 0.000 2.092 56 R HA -0.151 4.189 4.340 0.000 0.000 0.231 56 R C 2.206 178.486 176.300 -0.033 0.000 1.119 56 R CA 1.505 57.573 56.100 -0.054 0.000 0.970 56 R CB -0.210 30.046 30.300 -0.073 0.000 0.864 56 R HN 0.592 nan 8.270 nan 0.000 0.440 57 E N 0.536 120.717 120.200 -0.032 0.000 2.208 57 E HA -0.028 4.322 4.350 0.000 0.000 0.193 57 E C 0.470 177.065 176.600 -0.008 0.000 0.988 57 E CA 0.089 56.477 56.400 -0.020 0.000 0.828 57 E CB 0.142 29.828 29.700 -0.023 0.000 0.763 57 E HN 0.018 nan 8.360 nan 0.000 0.478 58 S N 1.634 117.331 115.700 -0.004 0.000 2.558 58 S HA 0.005 4.475 4.470 0.000 0.000 0.293 58 S C -2.372 172.236 174.600 0.014 0.000 1.292 58 S CA -1.396 56.809 58.200 0.009 0.000 1.063 58 S CB 0.368 63.580 63.200 0.020 0.000 0.831 58 S HN -0.155 nan 8.310 nan 0.000 0.499 59 P HA 0.172 nan 4.420 nan 0.000 0.264 59 P C 0.932 178.248 177.300 0.026 0.000 1.183 59 P CA 1.177 64.288 63.100 0.018 0.000 0.763 59 P CB 0.158 31.870 31.700 0.019 0.000 0.807 60 G N 1.111 109.928 108.800 0.028 0.000 2.205 60 G HA2 -0.241 3.719 3.960 0.000 0.000 0.261 60 G HA3 -0.241 3.719 3.960 0.000 0.000 0.261 60 G C 0.155 175.079 174.900 0.041 0.000 0.980 60 G CA 0.023 45.146 45.100 0.038 0.000 0.632 60 G HN 0.540 nan 8.290 nan 0.000 0.533 61 V N 2.249 122.183 119.914 0.033 0.000 2.572 61 V HA 0.321 4.441 4.120 0.000 0.000 0.291 61 V C 1.580 177.687 176.094 0.022 0.000 1.039 61 V CA 0.146 62.467 62.300 0.034 0.000 1.055 61 V CB 1.308 33.147 31.823 0.027 0.000 0.969 61 V HN 0.202 nan 8.190 nan 0.000 0.482 62 I N 2.743 123.331 120.570 0.029 0.000 3.300 62 I HA 0.390 4.560 4.170 0.000 0.000 0.279 62 I C 0.904 177.016 176.117 -0.009 0.000 1.172 62 I CA 0.822 62.133 61.300 0.018 0.000 1.431 62 I CB -0.012 38.009 38.000 0.036 0.000 1.240 62 I HN 0.688 nan 8.210 nan 0.000 0.453 63 A N 0.622 123.439 122.820 -0.004 0.000 2.539 63 A HA 0.744 5.064 4.320 0.000 0.000 0.296 63 A C -1.183 176.312 177.584 -0.148 0.000 1.073 63 A CA -0.358 51.599 52.037 -0.133 0.000 0.700 63 A CB 2.054 20.997 19.000 -0.096 0.000 1.296 63 A HN -0.150 nan 8.150 nan 0.000 0.405 64 V N 0.906 120.603 119.914 -0.361 0.000 2.735 64 V HA 0.688 4.808 4.120 0.000 0.000 0.310 64 V C -1.310 174.532 176.094 -0.421 0.000 1.061 64 V CA -0.370 61.820 62.300 -0.182 0.000 0.913 64 V CB 1.605 33.364 31.823 -0.106 0.000 1.005 64 V HN 0.745 nan 8.190 nan 0.000 0.428 65 F N 0.977 121.023 119.950 0.161 0.000 2.540 65 F HA 0.689 5.216 4.527 0.000 0.000 0.317 65 F C 0.524 176.439 175.800 0.191 0.000 1.104 65 F CA -0.386 57.704 58.000 0.150 0.000 0.913 65 F CB 2.535 41.625 39.000 0.150 0.000 1.170 65 F HN 0.406 nan 8.300 nan 0.000 0.450 66 T N 0.879 115.618 114.554 0.308 0.000 2.949 66 T HA 0.491 4.841 4.350 0.000 0.000 0.287 66 T C 1.055 175.887 174.700 0.221 0.000 1.034 66 T CA -0.124 62.114 62.100 0.231 0.000 1.018 66 T CB 1.800 70.743 68.868 0.125 0.000 1.135 66 T HN 0.670 nan 8.240 nan 0.000 0.532 67 A N 0.854 123.777 122.820 0.172 0.000 1.908 67 A HA 0.044 4.364 4.320 0.000 0.000 0.218 67 A C 2.428 180.083 177.584 0.118 0.000 1.181 67 A CA 1.965 54.087 52.037 0.142 0.000 0.627 67 A CB -1.255 17.818 19.000 0.122 0.000 0.818 67 A HN 0.932 nan 8.150 nan 0.000 0.445 68 A N -0.511 122.370 122.820 0.101 0.000 2.076 68 A HA -0.163 4.157 4.320 0.000 0.000 0.220 68 A C 1.517 179.153 177.584 0.087 0.000 1.160 68 A CA 1.690 53.772 52.037 0.075 0.000 0.653 68 A CB -0.403 18.629 19.000 0.054 0.000 0.801 68 A HN 0.491 nan 8.150 nan 0.000 0.455 69 D N -0.464 120.018 120.400 0.137 0.000 2.340 69 D HA 0.126 4.766 4.640 0.000 0.000 0.220 69 D C 0.151 176.568 176.300 0.195 0.000 1.039 69 D CA 0.155 54.267 54.000 0.187 0.000 0.866 69 D CB 0.045 41.022 40.800 0.295 0.000 0.913 69 D HN 0.376 nan 8.370 nan 0.000 0.523 70 L N 2.887 124.192 121.223 0.137 0.000 2.313 70 L HA 0.123 4.463 4.340 0.000 0.000 0.282 70 L C -0.797 176.099 176.870 0.043 0.000 1.092 70 L CA -1.180 53.718 54.840 0.096 0.000 0.831 70 L CB 0.941 43.056 42.059 0.092 0.000 1.159 70 L HN -0.189 nan 8.230 nan 0.000 0.442 71 P HA -0.095 nan 4.420 nan 0.000 0.218 71 P C 0.208 177.258 177.300 -0.417 0.000 1.149 71 P CA 1.523 64.540 63.100 -0.138 0.000 0.817 71 P CB 0.471 32.155 31.700 -0.028 0.000 0.785 72 H N -1.936 117.159 119.070 0.043 0.000 5.199 72 H HA 0.279 4.835 4.556 0.000 0.000 0.185 72 H C -0.213 175.139 175.328 0.041 0.000 1.309 72 H CA -0.606 55.466 56.048 0.041 0.000 0.262 72 H CB -0.837 28.950 29.762 0.042 0.000 1.619 72 H HN -0.220 nan 8.280 nan 0.000 0.311 73 D N 0.860 121.382 120.400 0.204 0.000 2.443 73 D HA 0.074 4.714 4.640 0.000 0.000 0.239 73 D C -0.089 176.259 176.300 0.080 0.000 1.136 73 D CA 0.408 54.471 54.000 0.106 0.000 0.879 73 D CB 0.296 41.143 40.800 0.077 0.000 1.195 73 D HN 0.309 nan 8.370 nan 0.000 0.443 74 N N 1.816 120.555 118.700 0.064 0.000 2.818 74 N HA 0.154 4.894 4.740 0.000 0.000 0.301 74 N C -1.902 173.639 175.510 0.052 0.000 1.821 74 N CA -0.536 52.554 53.050 0.067 0.000 0.930 74 N CB 0.141 38.681 38.487 0.088 0.000 1.263 74 N HN 0.273 nan 8.380 nan 0.000 0.487 75 D N -0.441 119.970 120.400 0.018 0.000 2.736 75 D HA 0.511 5.151 4.640 0.000 0.000 0.243 75 D C -0.450 175.820 176.300 -0.050 0.000 1.304 75 D CA -0.542 53.454 54.000 -0.006 0.000 0.934 75 D CB 1.452 42.245 40.800 -0.011 0.000 1.382 75 D HN 0.144 nan 8.370 nan 0.000 0.571 76 A N 2.756 125.508 122.820 -0.113 0.000 2.470 76 A HA 0.285 4.605 4.320 0.000 0.000 0.251 76 A C 0.731 178.264 177.584 -0.084 0.000 1.245 76 A CA -0.307 51.608 52.037 -0.203 0.000 0.932 76 A CB 0.238 18.822 19.000 -0.694 0.000 1.037 76 A HN 0.372 nan 8.150 nan 0.000 0.522 77 S N 1.569 117.243 115.700 -0.042 0.000 2.505 77 S HA 0.318 4.788 4.470 0.000 0.000 0.276 77 S C -1.002 173.592 174.600 -0.011 0.000 1.274 77 S CA -1.273 56.907 58.200 -0.034 0.000 1.053 77 S CB 0.862 64.013 63.200 -0.080 0.000 0.919 77 S HN 0.311 nan 8.310 nan 0.000 0.490 78 P HA 0.042 nan 4.420 nan 0.000 0.219 78 P C 0.320 177.616 177.300 -0.006 0.000 1.150 78 P CA 0.495 63.603 63.100 0.012 0.000 0.814 78 P CB -0.098 31.633 31.700 0.052 0.000 0.787 79 A N 1.488 124.288 122.820 -0.033 0.000 2.366 79 A HA 0.291 4.611 4.320 0.000 0.000 0.249 79 A C -0.869 176.693 177.584 -0.037 0.000 1.084 79 A CA -1.083 50.926 52.037 -0.047 0.000 0.794 79 A CB -0.547 18.388 19.000 -0.107 0.000 1.034 79 A HN 0.039 nan 8.150 nan 0.000 0.491 80 P HA -0.104 nan 4.420 nan 0.000 0.216 80 P C 0.830 178.114 177.300 -0.026 0.000 1.150 80 P CA 1.548 64.637 63.100 -0.018 0.000 0.837 80 P CB -0.379 31.314 31.700 -0.012 0.000 0.786 81 S N 1.142 116.818 115.700 -0.041 0.000 2.579 81 S HA 0.268 4.738 4.470 0.000 0.000 0.275 81 S C -2.188 172.380 174.600 -0.052 0.000 1.345 81 S CA -1.097 57.079 58.200 -0.040 0.000 1.031 81 S CB -0.155 63.020 63.200 -0.042 0.000 0.892 81 S HN 0.001 nan 8.310 nan 0.000 0.529 82 P HA 0.311 nan 4.420 nan 0.000 0.276 82 P C -0.976 176.286 177.300 -0.064 0.000 1.244 82 P CA -0.251 62.831 63.100 -0.029 0.000 0.801 82 P CB 0.529 32.233 31.700 0.008 0.000 1.006 83 E N 2.197 122.371 120.200 -0.042 0.000 2.378 83 E HA 0.268 4.618 4.350 0.000 0.000 0.282 83 E C -2.744 173.935 176.600 0.132 0.000 0.910 83 E CA -2.271 54.099 56.400 -0.051 0.000 0.816 83 E CB 2.123 31.695 29.700 -0.213 0.000 1.359 83 E HN 0.249 nan 8.360 nan 0.000 0.397 84 P HA 0.021 nan 4.420 nan 0.000 0.271 84 P C 0.879 178.350 177.300 0.285 0.000 1.216 84 P CA -0.247 63.004 63.100 0.252 0.000 0.776 84 P CB 1.643 33.509 31.700 0.277 0.000 0.881 85 V N 3.147 123.155 119.914 0.157 0.000 2.379 85 V HA -0.101 4.019 4.120 0.000 0.000 0.245 85 V C 1.303 177.477 176.094 0.133 0.000 1.044 85 V CA 1.526 63.919 62.300 0.155 0.000 1.036 85 V CB -0.657 31.221 31.823 0.092 0.000 0.664 85 V HN 0.430 nan 8.190 nan 0.000 0.453 86 L N 0.111 121.413 121.223 0.132 0.000 2.346 86 L HA 0.704 5.044 4.340 0.000 0.000 0.276 86 L C 0.171 177.110 176.870 0.115 0.000 1.006 86 L CA -0.798 54.104 54.840 0.104 0.000 0.817 86 L CB 1.545 43.704 42.059 0.166 0.000 1.272 86 L HN 0.120 nan 8.230 nan 0.000 0.421 87 A N 1.313 124.177 122.820 0.074 0.000 2.567 87 A HA 0.262 4.582 4.320 0.000 0.000 0.240 87 A C 0.632 178.279 177.584 0.105 0.000 1.053 87 A CA 0.164 52.250 52.037 0.082 0.000 0.755 87 A CB -0.309 18.699 19.000 0.014 0.000 0.978 87 A HN 0.728 nan 8.150 nan 0.000 0.507 88 T N 0.817 115.450 114.554 0.132 0.000 3.400 88 T HA 0.512 4.862 4.350 0.000 0.000 0.364 88 T C 1.168 175.925 174.700 0.095 0.000 1.636 88 T CA 0.272 62.442 62.100 0.117 0.000 1.211 88 T CB 0.052 69.001 68.868 0.135 0.000 1.180 88 T HN 2.290 nan 8.240 nan 0.000 0.730 89 G N 2.124 110.962 108.800 0.064 0.000 2.234 89 G HA2 -0.246 3.714 3.960 0.000 0.000 0.260 89 G HA3 -0.246 3.714 3.960 0.000 0.000 0.260 89 G C -0.159 174.756 174.900 0.024 0.000 0.987 89 G CA 0.427 45.551 45.100 0.040 0.000 0.625 89 G HN 1.032 nan 8.290 nan 0.000 0.532 90 E N -1.293 118.915 120.200 0.013 0.000 2.433 90 E HA 0.703 5.053 4.350 0.000 0.000 0.278 90 E C -0.498 175.997 176.600 -0.175 0.000 0.976 90 E CA -0.791 55.567 56.400 -0.070 0.000 0.793 90 E CB 2.359 31.998 29.700 -0.102 0.000 1.311 90 E HN 1.042 nan 8.360 nan 0.000 0.460 91 V N -1.395 118.343 119.914 -0.293 0.000 2.769 91 V HA 0.498 4.618 4.120 0.000 0.000 0.312 91 V C -0.285 175.478 176.094 -0.552 0.000 1.061 91 V CA -0.577 61.505 62.300 -0.363 0.000 0.931 91 V CB 1.653 33.338 31.823 -0.230 0.000 1.010 91 V HN 0.906 nan 8.190 nan 0.000 0.433 92 H N 2.783 121.723 119.070 -0.217 0.000 3.170 92 H HA 0.400 4.956 4.556 0.000 0.000 0.264 92 H C -0.180 175.139 175.328 -0.015 0.000 1.113 92 H CA 0.836 56.847 56.048 -0.061 0.000 1.194 92 H CB 1.333 31.192 29.762 0.161 0.000 1.553 92 H HN 0.791 nan 8.280 nan 0.000 0.538 93 F N -1.597 118.150 119.950 -0.338 0.000 2.741 93 F HA 0.487 5.014 4.527 0.000 0.000 0.311 93 F C -1.523 174.132 175.800 -0.241 0.000 1.149 93 F CA -1.447 56.400 58.000 -0.255 0.000 0.930 93 F CB 0.902 39.758 39.000 -0.241 0.000 1.312 93 F HN -0.354 nan 8.300 nan 0.000 0.450 94 V N 2.612 122.412 119.914 -0.189 0.000 2.397 94 V HA 0.498 4.618 4.120 0.000 0.000 0.262 94 V C 0.826 176.674 176.094 -0.411 0.000 1.047 94 V CA 0.801 62.928 62.300 -0.288 0.000 1.003 94 V CB -0.232 31.529 31.823 -0.103 0.000 1.037 94 V HN 1.534 nan 8.190 nan 0.000 0.480 95 G N 3.454 111.867 108.800 -0.645 0.000 2.164 95 G HA2 -0.164 3.796 3.960 0.000 0.000 0.154 95 G HA3 -0.164 3.796 3.960 0.000 0.000 0.154 95 G C 0.058 174.411 174.900 -0.910 0.000 1.014 95 G CA -0.154 44.602 45.100 -0.573 0.000 0.683 95 G HN 0.626 nan 8.290 nan 0.000 0.500 96 Q N 0.951 119.955 119.800 -1.327 0.000 2.296 96 Q HA 0.362 4.702 4.340 0.000 0.000 0.262 96 Q C -2.353 173.315 176.000 -0.552 0.000 0.981 96 Q CA -1.726 53.441 55.803 -1.060 0.000 0.905 96 Q CB 1.032 29.129 28.738 -1.069 0.000 1.186 96 Q HN 0.133 nan 8.270 nan 0.000 0.399 97 P HA -0.034 nan 4.420 nan 0.000 0.262 97 P C -0.300 176.837 177.300 -0.272 0.000 1.199 97 P CA 0.703 63.500 63.100 -0.505 0.000 0.763 97 P CB 0.461 31.521 31.700 -1.065 0.000 0.790 98 I N 3.362 123.829 120.570 -0.172 0.000 2.899 98 I HA 0.099 4.269 4.170 0.000 0.000 0.257 98 I C 0.898 177.123 176.117 0.181 0.000 1.115 98 I CA 0.650 61.963 61.300 0.021 0.000 1.451 98 I CB -0.050 38.018 38.000 0.113 0.000 1.251 98 I HN 0.247 nan 8.210 nan 0.000 0.456 99 F N 0.140 120.161 119.950 0.118 0.000 2.654 99 F HA 0.789 5.316 4.527 0.000 0.000 0.334 99 F C -1.106 174.892 175.800 0.328 0.000 1.078 99 F CA -1.527 56.588 58.000 0.191 0.000 0.986 99 F CB 1.270 40.344 39.000 0.122 0.000 1.362 99 F HN -0.270 nan 8.300 nan 0.000 0.498 100 L N 2.147 123.696 121.223 0.544 0.000 2.409 100 L HA 0.752 5.092 4.340 0.000 0.000 0.272 100 L C -1.625 175.515 176.870 0.450 0.000 0.980 100 L CA -0.696 54.396 54.840 0.421 0.000 0.826 100 L CB 1.914 44.212 42.059 0.398 0.000 1.268 100 L HN 0.613 nan 8.230 nan 0.000 0.407 101 V N 4.248 124.334 119.914 0.287 0.000 2.435 101 V HA 0.823 4.943 4.120 0.000 0.000 0.290 101 V C 0.303 176.507 176.094 0.182 0.000 1.030 101 V CA -0.305 62.147 62.300 0.253 0.000 0.881 101 V CB 1.328 33.282 31.823 0.218 0.000 0.983 101 V HN 0.940 nan 8.190 nan 0.000 0.445 102 A N 4.073 127.011 122.820 0.197 0.000 2.316 102 A HA 0.883 5.203 4.320 0.000 0.000 0.324 102 A C 0.114 177.762 177.584 0.108 0.000 1.375 102 A CA -0.108 52.024 52.037 0.159 0.000 0.882 102 A CB 0.588 19.729 19.000 0.235 0.000 1.152 102 A HN 1.199 nan 8.150 nan 0.000 0.512 103 A N 1.462 124.342 122.820 0.099 0.000 2.344 103 A HA 0.750 5.070 4.320 0.000 0.000 0.307 103 A C 1.257 178.908 177.584 0.111 0.000 1.151 103 A CA 0.251 52.343 52.037 0.092 0.000 0.842 103 A CB 0.305 19.357 19.000 0.086 0.000 1.350 103 A HN 1.241 nan 8.150 nan 0.000 0.459 104 T N -1.689 112.930 114.554 0.108 0.000 3.055 104 T HA 0.167 4.517 4.350 0.000 0.000 0.265 104 T C 0.780 175.632 174.700 0.254 0.000 1.111 104 T CA 1.059 63.238 62.100 0.132 0.000 1.118 104 T CB -0.584 68.335 68.868 0.086 0.000 0.909 104 T HN 1.409 nan 8.240 nan 0.000 0.501 105 S N -0.511 115.322 115.700 0.221 0.000 2.599 105 S HA 0.382 4.852 4.470 0.000 0.000 0.287 105 S C 0.617 175.290 174.600 0.122 0.000 1.105 105 S CA -0.848 57.456 58.200 0.173 0.000 0.899 105 S CB 1.514 64.757 63.200 0.070 0.000 1.100 105 S HN 0.254 nan 8.310 nan 0.000 0.482 106 H N 1.684 120.653 119.070 -0.169 0.000 2.387 106 H HA -0.028 4.528 4.556 0.000 0.000 0.299 106 H C 1.780 177.097 175.328 -0.019 0.000 1.090 106 H CA 1.627 57.620 56.048 -0.092 0.000 1.332 106 H CB 0.036 29.676 29.762 -0.204 0.000 1.386 106 H HN 0.527 nan 8.280 nan 0.000 0.516 107 R N 0.446 120.958 120.500 0.020 0.000 2.070 107 R HA -0.087 4.253 4.340 0.000 0.000 0.233 107 R C 2.542 178.827 176.300 -0.025 0.000 1.137 107 R CA 1.153 57.250 56.100 -0.005 0.000 0.945 107 R CB -0.927 29.393 30.300 0.033 0.000 0.845 107 R HN 0.397 nan 8.270 nan 0.000 0.430 108 A N 1.012 123.837 122.820 0.009 0.000 1.908 108 A HA -0.152 4.168 4.320 0.000 0.000 0.218 108 A C 2.386 179.979 177.584 0.016 0.000 1.181 108 A CA 2.048 54.098 52.037 0.022 0.000 0.627 108 A CB -0.600 18.426 19.000 0.044 0.000 0.818 108 A HN 0.420 nan 8.150 nan 0.000 0.445 109 A N -0.180 122.641 122.820 0.001 0.000 1.877 109 A HA -0.172 4.148 4.320 0.000 0.000 0.216 109 A C 2.269 179.833 177.584 -0.033 0.000 1.186 109 A CA 1.488 53.524 52.037 -0.001 0.000 0.620 109 A CB -0.501 18.493 19.000 -0.011 0.000 0.822 109 A HN 0.540 nan 8.150 nan 0.000 0.443 110 R N -0.609 119.821 120.500 -0.116 0.000 2.081 110 R HA -0.076 4.264 4.340 0.000 0.000 0.235 110 R C 2.074 178.361 176.300 -0.023 0.000 1.131 110 R CA 1.542 57.582 56.100 -0.100 0.000 0.960 110 R CB -0.670 29.533 30.300 -0.161 0.000 0.856 110 R HN 0.575 nan 8.270 nan 0.000 0.436 111 I N 0.961 121.525 120.570 -0.010 0.000 2.151 111 I HA -0.309 3.861 4.170 0.000 0.000 0.243 111 I C 2.612 178.754 176.117 0.042 0.000 1.080 111 I CA 1.607 62.917 61.300 0.017 0.000 1.339 111 I CB -0.385 37.626 38.000 0.017 0.000 1.039 111 I HN 0.191 nan 8.210 nan 0.000 0.409 112 A N 0.285 123.138 122.820 0.054 0.000 2.014 112 A HA -0.031 4.289 4.320 0.000 0.000 0.218 112 A C 2.475 180.162 177.584 0.172 0.000 1.163 112 A CA 1.417 53.508 52.037 0.090 0.000 0.652 112 A CB -0.664 18.388 19.000 0.087 0.000 0.808 112 A HN 0.437 nan 8.150 nan 0.000 0.449 113 A N -0.169 122.749 122.820 0.164 0.000 2.019 113 A HA -0.099 4.221 4.320 0.000 0.000 0.219 113 A C 2.061 179.783 177.584 0.230 0.000 1.164 113 A CA 1.516 53.680 52.037 0.212 0.000 0.644 113 A CB -0.291 18.717 19.000 0.014 0.000 0.805 113 A HN 0.445 nan 8.150 nan 0.000 0.449 114 R N -0.547 120.032 120.500 0.132 0.000 2.310 114 R HA 0.148 4.488 4.340 0.000 0.000 0.202 114 R C 1.105 177.469 176.300 0.107 0.000 0.933 114 R CA 0.513 56.676 56.100 0.104 0.000 1.054 114 R CB 0.040 30.372 30.300 0.053 0.000 0.985 114 R HN 0.405 nan 8.270 nan 0.000 0.489 115 K N -0.012 120.460 120.400 0.119 0.000 2.372 115 K HA 0.278 4.598 4.320 0.000 0.000 0.200 115 K C -0.014 176.601 176.600 0.025 0.000 1.022 115 K CA -0.176 56.146 56.287 0.059 0.000 1.125 115 K CB 1.013 33.535 32.500 0.037 0.000 0.855 115 K HN 0.073 nan 8.250 nan 0.000 0.524 116 A N 1.522 124.378 122.820 0.059 0.000 2.322 116 A HA 0.346 4.666 4.320 0.000 0.000 0.269 116 A C -0.327 177.244 177.584 -0.021 0.000 1.094 116 A CA -0.348 51.658 52.037 -0.053 0.000 0.807 116 A CB 0.411 19.340 19.000 -0.118 0.000 1.047 116 A HN 0.219 nan 8.150 nan 0.000 0.487 117 R N 1.336 121.791 120.500 -0.075 0.000 2.320 117 R HA 0.481 4.821 4.340 0.000 0.000 0.319 117 R C -1.386 174.846 176.300 -0.113 0.000 0.969 117 R CA -0.071 55.990 56.100 -0.065 0.000 0.857 117 R CB 1.012 31.276 30.300 -0.059 0.000 1.160 117 R HN 0.678 nan 8.270 nan 0.000 0.491 118 I N 2.010 122.496 120.570 -0.140 0.000 2.404 118 I HA 0.284 4.454 4.170 0.000 0.000 0.293 118 I C 0.462 176.343 176.117 -0.394 0.000 0.992 118 I CA -0.819 60.295 61.300 -0.310 0.000 1.149 118 I CB 2.233 39.972 38.000 -0.436 0.000 1.315 118 I HN 0.475 nan 8.210 nan 0.000 0.446 119 T N 1.990 116.322 114.554 -0.370 0.000 2.794 119 T HA 0.634 4.984 4.350 0.000 0.000 0.280 119 T C -0.764 173.724 174.700 -0.353 0.000 0.987 119 T CA -0.589 61.354 62.100 -0.262 0.000 0.993 119 T CB 0.792 69.592 68.868 -0.114 0.000 0.939 119 T HN 0.290 nan 8.240 nan 0.000 0.449 120 Y N 0.671 120.955 120.300 -0.027 0.000 2.567 120 Y HA 0.649 5.199 4.550 0.000 0.000 0.333 120 Y C 0.371 176.253 175.900 -0.030 0.000 1.106 120 Y CA -1.596 56.483 58.100 -0.035 0.000 1.157 120 Y CB 1.752 40.183 38.460 -0.048 0.000 1.277 120 Y HN 0.919 nan 8.280 nan 0.000 0.490 121 A N 2.930 125.832 122.820 0.137 0.000 2.511 121 A HA 0.576 4.896 4.320 0.000 0.000 0.340 121 A C -2.848 174.766 177.584 0.051 0.000 1.396 121 A CA -1.821 50.258 52.037 0.070 0.000 0.887 121 A CB -0.435 18.588 19.000 0.038 0.000 1.145 121 A HN 0.406 nan 8.150 nan 0.000 0.497 122 P HA 0.276 nan 4.420 nan 0.000 0.268 122 P C -0.085 177.208 177.300 -0.011 0.000 1.204 122 P CA 0.250 63.344 63.100 -0.010 0.000 0.768 122 P CB 0.623 32.310 31.700 -0.021 0.000 0.842 123 R N 3.251 123.735 120.500 -0.026 0.000 2.875 123 R HA 0.592 4.932 4.340 0.000 0.000 0.251 123 R C -2.286 174.003 176.300 -0.019 0.000 1.123 123 R CA -2.035 54.056 56.100 -0.016 0.000 1.064 123 R CB -0.279 30.014 30.300 -0.012 0.000 1.205 123 R HN 0.289 nan 8.270 nan 0.000 0.503 124 P HA 0.110 nan 4.420 nan 0.000 0.271 124 P C -1.220 176.072 177.300 -0.013 0.000 1.226 124 P CA 0.012 63.105 63.100 -0.010 0.000 0.765 124 P CB 0.924 32.621 31.700 -0.006 0.000 0.835 125 A N 3.868 126.676 122.820 -0.019 0.000 2.304 125 A HA 0.525 4.845 4.320 0.000 0.000 0.301 125 A C -0.070 177.500 177.584 -0.024 0.000 1.132 125 A CA -0.620 51.405 52.037 -0.021 0.000 0.819 125 A CB 0.045 19.025 19.000 -0.034 0.000 1.094 125 A HN 0.526 nan 8.150 nan 0.000 0.492 126 I N 3.171 123.725 120.570 -0.026 0.000 2.361 126 I HA 0.191 4.361 4.170 0.000 0.000 0.282 126 I C 0.383 176.456 176.117 -0.073 0.000 1.075 126 I CA 0.220 61.495 61.300 -0.043 0.000 1.205 126 I CB 0.479 38.454 38.000 -0.042 0.000 1.406 126 I HN 0.651 nan 8.210 nan 0.000 0.481 127 L N 2.899 124.071 121.223 -0.085 0.000 2.362 127 L HA 0.141 4.481 4.340 0.000 0.000 0.204 127 L C 1.495 178.269 176.870 -0.160 0.000 1.060 127 L CA 0.344 55.099 54.840 -0.141 0.000 0.827 127 L CB -0.107 41.885 42.059 -0.113 0.000 1.027 127 L HN 0.634 nan 8.230 nan 0.000 0.474 128 T N -2.447 112.048 114.554 -0.098 0.000 2.849 128 T HA 0.180 4.530 4.350 0.000 0.000 0.284 128 T C 0.890 175.538 174.700 -0.088 0.000 1.004 128 T CA -0.499 61.551 62.100 -0.083 0.000 1.021 128 T CB 1.650 70.493 68.868 -0.041 0.000 1.013 128 T HN -0.098 nan 8.240 nan 0.000 0.527 129 L N 1.036 122.212 121.223 -0.078 0.000 2.109 129 L HA 0.104 4.444 4.340 0.000 0.000 0.207 129 L C 2.009 178.836 176.870 -0.072 0.000 1.086 129 L CA 1.819 56.611 54.840 -0.080 0.000 0.760 129 L CB -1.043 40.974 42.059 -0.069 0.000 0.910 129 L HN 0.814 nan 8.230 nan 0.000 0.437 130 D N -1.352 119.015 120.400 -0.055 0.000 2.117 130 D HA -0.229 4.411 4.640 0.000 0.000 0.197 130 D C 2.111 178.379 176.300 -0.052 0.000 0.987 130 D CA 1.168 55.138 54.000 -0.050 0.000 0.829 130 D CB -0.171 40.610 40.800 -0.032 0.000 0.961 130 D HN 0.394 nan 8.370 nan 0.000 0.460 131 Q N 0.244 120.015 119.800 -0.049 0.000 2.030 131 Q HA -0.175 4.165 4.340 0.000 0.000 0.204 131 Q C 2.338 178.305 176.000 -0.056 0.000 0.986 131 Q CA 1.633 57.408 55.803 -0.047 0.000 0.843 131 Q CB -0.275 28.436 28.738 -0.045 0.000 0.904 131 Q HN 0.337 nan 8.270 nan 0.000 0.420 132 A N 0.586 123.364 122.820 -0.070 0.000 1.908 132 A HA -0.196 4.124 4.320 0.000 0.000 0.218 132 A C 2.029 179.567 177.584 -0.077 0.000 1.181 132 A CA 1.290 53.278 52.037 -0.082 0.000 0.627 132 A CB -0.676 18.265 19.000 -0.099 0.000 0.818 132 A HN 0.340 nan 8.150 nan 0.000 0.445 133 L N -0.409 120.765 121.223 -0.081 0.000 2.046 133 L HA -0.056 4.284 4.340 0.000 0.000 0.208 133 L C 2.728 179.557 176.870 -0.067 0.000 1.077 133 L CA 2.121 56.907 54.840 -0.090 0.000 0.747 133 L CB -0.721 41.263 42.059 -0.124 0.000 0.896 133 L HN 0.355 nan 8.230 nan 0.000 0.432 134 A N -1.008 121.779 122.820 -0.056 0.000 1.929 134 A HA 0.033 4.353 4.320 0.000 0.000 0.216 134 A C 2.281 179.845 177.584 -0.034 0.000 1.176 134 A CA 1.365 53.378 52.037 -0.041 0.000 0.628 134 A CB -0.865 18.114 19.000 -0.034 0.000 0.816 134 A HN 0.479 nan 8.150 nan 0.000 0.444 135 A N -1.642 121.156 122.820 -0.038 0.000 2.169 135 A HA 0.268 4.588 4.320 0.000 0.000 0.212 135 A C 0.916 178.478 177.584 -0.036 0.000 1.153 135 A CA 1.263 53.280 52.037 -0.034 0.000 0.756 135 A CB -0.269 18.709 19.000 -0.035 0.000 0.813 135 A HN 0.572 nan 8.150 nan 0.000 0.471 136 D N -1.549 118.826 120.400 -0.041 0.000 3.041 136 D HA -0.156 4.484 4.640 0.000 0.000 0.220 136 D C 0.147 176.408 176.300 -0.065 0.000 1.157 136 D CA 1.035 55.012 54.000 -0.039 0.000 0.876 136 D CB -1.725 39.061 40.800 -0.023 0.000 1.107 136 D HN 0.316 nan 8.370 nan 0.000 0.422 137 S N 0.210 115.858 115.700 -0.087 0.000 2.437 137 S HA 0.336 4.806 4.470 0.000 0.000 0.304 137 S C 0.234 174.711 174.600 -0.206 0.000 1.167 137 S CA 0.156 58.273 58.200 -0.139 0.000 1.106 137 S CB 0.028 63.154 63.200 -0.123 0.000 1.099 137 S HN 0.465 nan 8.310 nan 0.000 0.524 138 R N 3.093 123.431 120.500 -0.270 0.000 2.766 138 R HA 0.549 4.889 4.340 0.000 0.000 0.270 138 R C -1.517 174.503 176.300 -0.467 0.000 1.035 138 R CA -0.867 55.049 56.100 -0.307 0.000 0.911 138 R CB 0.553 30.795 30.300 -0.097 0.000 1.243 138 R HN 0.423 nan 8.270 nan 0.000 0.460 139 F N 0.244 120.179 119.950 -0.024 0.000 2.509 139 F HA 0.347 4.874 4.527 0.000 0.000 0.334 139 F C 0.587 176.370 175.800 -0.028 0.000 1.060 139 F CA -0.485 57.496 58.000 -0.031 0.000 0.997 139 F CB 1.417 40.391 39.000 -0.044 0.000 1.271 139 F HN 0.830 nan 8.300 nan 0.000 0.488 140 E N -0.224 120.093 120.200 0.194 0.000 3.253 140 E HA -0.223 4.127 4.350 0.000 0.000 0.284 140 E C 0.671 177.299 176.600 0.047 0.000 0.958 140 E CA 0.572 57.025 56.400 0.088 0.000 0.917 140 E CB -1.573 28.163 29.700 0.060 0.000 1.466 140 E HN 1.068 nan 8.360 nan 0.000 0.455 141 G N -0.248 108.577 108.800 0.041 0.000 2.290 141 G HA2 0.083 4.043 3.960 0.000 0.000 0.270 141 G HA3 0.083 4.043 3.960 0.000 0.000 0.270 141 G C 0.524 175.429 174.900 0.009 0.000 0.891 141 G CA 1.024 46.135 45.100 0.017 0.000 1.321 141 G HN 1.204 nan 8.290 nan 0.000 0.425 142 G N 0.736 109.540 108.800 0.006 0.000 2.459 142 G HA2 0.392 4.352 3.960 0.000 0.000 0.685 142 G HA3 0.392 4.352 3.960 0.000 0.000 0.685 142 G C -2.496 172.368 174.900 -0.059 0.000 1.303 142 G CA -0.213 44.883 45.100 -0.007 0.000 0.907 142 G HN 0.910 nan 8.290 nan 0.000 0.632 143 P HA 0.483 nan 4.420 nan 0.000 0.278 143 P C 0.115 177.279 177.300 -0.227 0.000 1.238 143 P CA -0.287 62.599 63.100 -0.358 0.000 0.794 143 P CB 1.487 32.702 31.700 -0.808 0.000 0.955 144 V N 4.603 124.378 119.914 -0.232 0.000 2.530 144 V HA 0.231 4.351 4.120 0.000 0.000 0.282 144 V C 0.726 176.656 176.094 -0.274 0.000 1.048 144 V CA -0.047 62.126 62.300 -0.212 0.000 0.997 144 V CB 0.301 31.970 31.823 -0.256 0.000 0.987 144 V HN 0.379 nan 8.190 nan 0.000 0.477 145 I N 4.418 124.898 120.570 -0.149 0.000 2.447 145 I HA 0.431 4.601 4.170 0.000 0.000 0.287 145 I C -1.044 175.187 176.117 0.189 0.000 1.023 145 I CA -0.339 60.925 61.300 -0.060 0.000 1.083 145 I CB 1.831 39.832 38.000 0.000 0.000 1.245 145 I HN 0.513 nan 8.210 nan 0.000 0.434 146 W N 4.848 126.194 121.300 0.077 0.000 2.689 146 W HA 0.818 5.478 4.660 0.000 0.000 0.340 146 W C -0.279 176.306 176.519 0.109 0.000 1.060 146 W CA -1.568 55.849 57.345 0.121 0.000 1.218 146 W CB 1.842 31.426 29.460 0.205 0.000 1.410 146 W HN 0.423 nan 8.180 nan 0.000 0.528 147 A N 3.031 126.052 122.820 0.335 0.000 2.459 147 A HA 0.707 5.027 4.320 0.000 0.000 0.296 147 A C -1.211 176.477 177.584 0.173 0.000 1.039 147 A CA -0.888 51.274 52.037 0.209 0.000 0.698 147 A CB 1.788 20.875 19.000 0.144 0.000 1.261 147 A HN 0.607 nan 8.150 nan 0.000 0.405 148 R N 2.163 122.755 120.500 0.153 0.000 2.437 148 R HA 0.574 4.914 4.340 0.000 0.000 0.310 148 R C 0.728 177.071 176.300 0.072 0.000 0.955 148 R CA 0.813 56.983 56.100 0.116 0.000 0.851 148 R CB 1.312 31.695 30.300 0.138 0.000 1.161 148 R HN 2.259 nan 8.270 nan 0.000 0.446 149 G N 2.980 111.816 108.800 0.059 0.000 2.575 149 G HA2 -0.303 3.657 3.960 0.000 0.000 0.267 149 G HA3 -0.303 3.657 3.960 0.000 0.000 0.267 149 G C -0.890 174.033 174.900 0.038 0.000 1.264 149 G CA 0.251 45.377 45.100 0.043 0.000 0.935 149 G HN 0.650 nan 8.290 nan 0.000 0.568 150 D N 0.403 120.818 120.400 0.025 0.000 2.454 150 D HA 0.464 5.104 4.640 0.000 0.000 0.247 150 D C 1.758 178.062 176.300 0.007 0.000 1.129 150 D CA 0.196 54.208 54.000 0.020 0.000 0.877 150 D CB 1.096 41.907 40.800 0.017 0.000 1.082 150 D HN 0.741 nan 8.370 nan 0.000 0.537 151 V N 2.215 122.132 119.914 0.006 0.000 2.307 151 V HA -0.127 3.993 4.120 0.000 0.000 0.245 151 V C 1.998 178.081 176.094 -0.018 0.000 1.045 151 V CA 0.941 63.234 62.300 -0.012 0.000 1.024 151 V CB -0.459 31.354 31.823 -0.016 0.000 0.651 151 V HN 0.367 nan 8.190 nan 0.000 0.449 152 E N 1.105 121.299 120.200 -0.010 0.000 2.070 152 E HA -0.209 4.141 4.350 0.000 0.000 0.197 152 E C 2.372 178.964 176.600 -0.014 0.000 1.004 152 E CA 2.421 58.813 56.400 -0.013 0.000 0.805 152 E CB -0.821 28.876 29.700 -0.005 0.000 0.744 152 E HN 0.739 nan 8.360 nan 0.000 0.451 153 T N 1.221 115.771 114.554 -0.007 0.000 2.737 153 T HA -0.081 4.269 4.350 0.000 0.000 0.265 153 T C 1.983 176.676 174.700 -0.011 0.000 1.038 153 T CA 1.491 63.587 62.100 -0.007 0.000 1.144 153 T CB -0.242 68.627 68.868 0.001 0.000 0.866 153 T HN 0.290 nan 8.240 nan 0.000 0.434 154 A N 1.351 124.164 122.820 -0.013 0.000 1.877 154 A HA 0.033 4.353 4.320 0.000 0.000 0.216 154 A C 2.288 179.856 177.584 -0.026 0.000 1.186 154 A CA 1.219 53.246 52.037 -0.017 0.000 0.620 154 A CB -0.868 18.120 19.000 -0.019 0.000 0.822 154 A HN 0.470 nan 8.150 nan 0.000 0.443 155 L N -0.794 120.409 121.223 -0.034 0.000 2.201 155 L HA -0.121 4.219 4.340 0.000 0.000 0.212 155 L C 3.030 179.877 176.870 -0.039 0.000 1.105 155 L CA 0.697 55.511 54.840 -0.043 0.000 0.775 155 L CB -0.562 41.465 42.059 -0.053 0.000 0.913 155 L HN 0.440 nan 8.230 nan 0.000 0.440 156 A N 0.477 123.278 122.820 -0.032 0.000 1.865 156 A HA -0.127 4.193 4.320 0.000 0.000 0.217 156 A C 1.908 179.473 177.584 -0.032 0.000 1.191 156 A CA 1.782 53.801 52.037 -0.029 0.000 0.623 156 A CB -1.078 17.909 19.000 -0.022 0.000 0.826 156 A HN 0.410 nan 8.150 nan 0.000 0.444 157 G N -0.655 108.128 108.800 -0.029 0.000 4.084 157 G HA2 0.501 4.461 3.960 0.000 0.000 0.293 157 G HA3 0.501 4.461 3.960 0.000 0.000 0.293 157 G C 0.085 174.961 174.900 -0.039 0.000 1.303 157 G CA 0.443 45.524 45.100 -0.033 0.000 1.289 157 G HN 0.723 nan 8.290 nan 0.000 0.609 158 A N 0.248 123.040 122.820 -0.046 0.000 2.320 158 A HA 0.696 5.016 4.320 0.000 0.000 0.287 158 A C 1.483 179.014 177.584 -0.087 0.000 1.181 158 A CA 0.234 52.241 52.037 -0.049 0.000 0.831 158 A CB 1.033 20.009 19.000 -0.040 0.000 1.102 158 A HN 0.772 nan 8.150 nan 0.000 0.513 159 A N 2.229 124.981 122.820 -0.113 0.000 1.969 159 A HA 0.080 4.400 4.320 0.000 0.000 0.218 159 A C 0.705 177.971 177.584 -0.530 0.000 1.169 159 A CA 1.464 53.338 52.037 -0.272 0.000 0.635 159 A CB -0.385 18.478 19.000 -0.229 0.000 0.810 159 A HN 0.904 nan 8.150 nan 0.000 0.445 160 H N -2.746 116.305 119.070 -0.032 0.000 2.759 160 H HA 0.634 5.190 4.556 -0.000 0.000 0.354 160 H C -1.233 174.066 175.328 -0.048 0.000 1.074 160 H CA -0.587 55.439 56.048 -0.036 0.000 1.226 160 H CB 1.764 31.506 29.762 -0.034 0.000 1.648 160 H HN 0.237 nan 8.280 nan 0.000 0.529 161 L N 2.107 123.363 121.223 0.054 0.000 2.354 161 L HA 0.879 5.219 4.340 0.000 0.000 0.269 161 L C -1.025 175.825 176.870 -0.034 0.000 1.005 161 L CA -0.536 54.297 54.840 -0.013 0.000 0.819 161 L CB 1.616 43.648 42.059 -0.046 0.000 1.311 161 L HN 0.806 nan 8.230 nan 0.000 0.423 162 A N 3.807 126.573 122.820 -0.091 0.000 2.385 162 A HA 0.695 5.015 4.320 0.000 0.000 0.290 162 A C -1.153 176.235 177.584 -0.326 0.000 1.094 162 A CA -0.518 51.395 52.037 -0.207 0.000 0.729 162 A CB 0.797 19.724 19.000 -0.121 0.000 1.194 162 A HN 0.702 nan 8.150 nan 0.000 0.442 163 E N 1.434 121.345 120.200 -0.482 0.000 2.176 163 E HA 0.617 4.967 4.350 0.000 0.000 0.267 163 E C 0.175 176.280 176.600 -0.824 0.000 0.893 163 E CA -0.548 55.526 56.400 -0.544 0.000 0.761 163 E CB 2.319 31.823 29.700 -0.327 0.000 1.133 163 E HN 0.826 nan 8.360 nan 0.000 0.409 164 G N 0.651 108.681 108.800 -1.284 0.000 2.827 164 G HA2 0.591 4.551 3.960 0.000 0.000 0.296 164 G HA3 0.591 4.551 3.960 0.000 0.000 0.296 164 G C -1.565 172.807 174.900 -0.880 0.000 1.362 164 G CA -0.528 43.950 45.100 -1.037 0.000 0.809 164 G HN 0.631 nan 8.290 nan 0.000 0.522 165 C N -0.248 118.976 119.300 -0.126 0.000 3.234 165 C HA 0.712 5.172 4.460 0.000 0.000 0.439 165 C C -1.709 173.582 174.990 0.502 0.000 0.946 165 C CA -1.247 57.891 59.018 0.199 0.000 1.193 165 C CB -0.615 27.162 27.740 0.063 0.000 1.579 165 C HN 1.442 nan 8.230 nan 0.000 0.614 166 F N 3.496 123.614 119.950 0.280 0.000 2.631 166 F HA 0.794 5.321 4.527 -0.000 0.000 0.308 166 F C -0.604 175.311 175.800 0.192 0.000 1.097 166 F CA -0.686 57.467 58.000 0.255 0.000 0.952 166 F CB 1.145 40.340 39.000 0.325 0.000 1.307 166 F HN 0.471 nan 8.300 nan 0.000 0.450 167 E N 3.315 123.524 120.200 0.015 0.000 2.283 167 E HA 0.423 4.773 4.350 0.000 0.000 0.278 167 E C -0.746 175.710 176.600 -0.240 0.000 1.027 167 E CA -0.337 56.001 56.400 -0.103 0.000 0.843 167 E CB 2.424 32.142 29.700 0.030 0.000 1.062 167 E HN 0.619 nan 8.360 nan 0.000 0.401 168 I N 1.686 122.105 120.570 -0.252 0.000 2.382 168 I HA 0.253 4.423 4.170 0.000 0.000 0.286 168 I C 0.811 176.926 176.117 -0.004 0.000 1.002 168 I CA -0.749 60.422 61.300 -0.215 0.000 1.135 168 I CB 1.809 39.669 38.000 -0.233 0.000 1.288 168 I HN 0.398 nan 8.210 nan 0.000 0.448 169 G N 3.840 112.631 108.800 -0.015 0.000 2.569 169 G HA2 0.442 4.402 3.960 0.000 0.000 0.249 169 G HA3 0.442 4.402 3.960 0.000 0.000 0.249 169 G C 0.509 175.589 174.900 0.300 0.000 1.216 169 G CA -0.133 45.040 45.100 0.122 0.000 0.845 169 G HN 0.725 nan 8.290 nan 0.000 0.568 170 G N -1.228 107.757 108.800 0.309 0.000 2.468 170 G HA2 0.473 4.433 3.960 0.000 0.000 0.264 170 G HA3 0.473 4.433 3.960 0.000 0.000 0.264 170 G C -0.165 174.930 174.900 0.324 0.000 1.460 170 G CA -0.154 45.132 45.100 0.310 0.000 1.060 170 G HN 0.743 nan 8.290 nan 0.000 0.543 171 Q N -1.243 118.654 119.800 0.162 0.000 2.364 171 Q HA 0.275 4.615 4.340 0.000 0.000 0.257 171 Q C -1.715 174.367 176.000 0.137 0.000 0.956 171 Q CA -0.646 55.237 55.803 0.134 0.000 0.924 171 Q CB 1.946 30.497 28.738 -0.311 0.000 1.413 171 Q HN 0.553 nan 8.270 nan 0.000 0.418 172 E N 1.729 121.965 120.200 0.060 0.000 2.259 172 E HA 0.156 4.506 4.350 0.000 0.000 0.281 172 E C -0.202 176.473 176.600 0.125 0.000 1.027 172 E CA 0.426 56.739 56.400 -0.145 0.000 0.838 172 E CB 0.720 29.913 29.700 -0.846 0.000 1.066 172 E HN 0.670 nan 8.360 nan 0.000 0.401 173 H N 4.106 123.170 119.070 -0.010 0.000 2.290 173 H HA -0.038 4.518 4.556 -0.000 0.000 0.298 173 H C 0.073 175.300 175.328 -0.168 0.000 1.087 173 H CA 1.761 57.622 56.048 -0.311 0.000 1.291 173 H CB -0.279 29.129 29.762 -0.589 0.000 1.369 173 H HN 0.686 nan 8.280 nan 0.000 0.492 174 F N 0.725 120.450 119.950 -0.376 0.000 2.797 174 F HA -0.262 4.265 4.527 -0.000 0.000 0.273 174 F C -0.916 174.768 175.800 -0.194 0.000 1.020 174 F CA -0.620 57.199 58.000 -0.302 0.000 0.961 174 F CB -1.556 37.404 39.000 -0.066 0.000 1.020 174 F HN 0.142 nan 8.300 nan 0.000 0.840 175 Y N 1.583 121.925 120.300 0.070 0.000 2.526 175 Y HA 0.272 4.822 4.550 -0.000 0.000 0.330 175 Y C 1.004 176.834 175.900 -0.117 0.000 1.156 175 Y CA -1.451 56.724 58.100 0.125 0.000 1.419 175 Y CB 0.099 38.633 38.460 0.123 0.000 1.250 175 Y HN 0.173 nan 8.280 nan 0.000 0.540 176 L N 1.290 122.589 121.223 0.127 0.000 2.083 176 L HA -0.113 4.227 4.340 0.000 0.000 0.209 176 L C 1.191 178.015 176.870 -0.077 0.000 1.083 176 L CA 1.470 56.294 54.840 -0.026 0.000 0.752 176 L CB -0.650 41.431 42.059 0.035 0.000 0.899 176 L HN 0.848 nan 8.230 nan 0.000 0.433 177 E N 0.286 120.442 120.200 -0.074 0.000 2.223 177 E HA 0.274 4.624 4.350 0.000 0.000 0.282 177 E C 0.237 176.822 176.600 -0.024 0.000 1.046 177 E CA -0.202 56.121 56.400 -0.128 0.000 0.857 177 E CB 1.053 30.598 29.700 -0.259 0.000 1.055 177 E HN 0.219 nan 8.360 nan 0.000 0.409 178 G N 3.257 112.058 108.800 0.002 0.000 2.611 178 G HA2 -0.015 3.945 3.960 0.000 0.000 0.273 178 G HA3 -0.015 3.945 3.960 0.000 0.000 0.273 178 G C -0.060 174.769 174.900 -0.120 0.000 1.305 178 G CA -0.492 44.665 45.100 0.095 0.000 1.010 178 G HN 0.541 nan 8.290 nan 0.000 0.509 179 Q N -0.565 119.188 119.800 -0.077 0.000 2.330 179 Q HA 0.442 4.782 4.340 0.000 0.000 0.279 179 Q C 0.062 175.906 176.000 -0.261 0.000 1.024 179 Q CA 0.468 56.118 55.803 -0.255 0.000 0.900 179 Q CB 1.256 29.804 28.738 -0.316 0.000 1.221 179 Q HN 0.687 nan 8.270 nan 0.000 0.396 180 A N 0.971 123.652 122.820 -0.230 0.000 2.566 180 A HA 0.818 5.138 4.320 0.000 0.000 0.297 180 A C -1.578 175.937 177.584 -0.115 0.000 1.059 180 A CA -0.002 51.942 52.037 -0.155 0.000 0.691 180 A CB 1.725 20.669 19.000 -0.093 0.000 1.282 180 A HN 0.703 nan 8.150 nan 0.000 0.401 181 A N 0.495 123.265 122.820 -0.084 0.000 2.587 181 A HA 0.905 5.225 4.320 0.000 0.000 0.293 181 A C -1.782 175.794 177.584 -0.014 0.000 1.087 181 A CA -0.413 51.597 52.037 -0.046 0.000 0.692 181 A CB 1.570 20.533 19.000 -0.062 0.000 1.291 181 A HN 2.236 nan 8.150 nan 0.000 0.407 182 L N 0.557 121.789 121.223 0.015 0.000 2.562 182 L HA 0.795 5.135 4.340 0.000 0.000 0.266 182 L C -0.552 176.341 176.870 0.039 0.000 0.949 182 L CA 0.084 54.946 54.840 0.035 0.000 0.879 182 L CB 1.771 43.872 42.059 0.070 0.000 1.278 182 L HN 1.378 nan 8.230 nan 0.000 0.404 183 A N 5.935 128.759 122.820 0.007 0.000 2.303 183 A HA 0.820 5.140 4.320 0.000 0.000 0.320 183 A C -1.307 176.280 177.584 0.005 0.000 1.192 183 A CA -0.461 51.572 52.037 -0.008 0.000 0.821 183 A CB 0.829 19.807 19.000 -0.036 0.000 1.188 183 A HN 0.683 nan 8.150 nan 0.000 0.492 184 L N 3.827 125.058 121.223 0.013 0.000 2.294 184 L HA 0.372 4.712 4.340 0.000 0.000 0.283 184 L C -2.485 174.383 176.870 -0.003 0.000 1.015 184 L CA -2.029 52.821 54.840 0.016 0.000 0.831 184 L CB 1.859 43.948 42.059 0.049 0.000 1.217 184 L HN 0.415 nan 8.230 nan 0.000 0.420 185 P HA 0.081 nan 4.420 nan 0.000 0.266 185 P C -0.493 176.804 177.300 -0.005 0.000 1.215 185 P CA 0.007 63.103 63.100 -0.007 0.000 0.763 185 P CB 0.945 32.644 31.700 -0.002 0.000 0.806 186 A N 3.933 126.747 122.820 -0.011 0.000 3.204 186 A HA 0.321 4.641 4.320 0.000 0.000 0.327 186 A C -0.037 177.539 177.584 -0.013 0.000 0.998 186 A CA -0.601 51.430 52.037 -0.010 0.000 0.891 186 A CB -0.605 18.387 19.000 -0.015 0.000 1.061 186 A HN 0.679 nan 8.150 nan 0.000 0.478 187 E N -0.140 120.055 120.200 -0.008 0.000 2.401 187 E HA -0.153 4.197 4.350 0.000 0.000 0.272 187 E C 0.884 177.477 176.600 -0.012 0.000 1.895 187 E CA 0.709 57.104 56.400 -0.008 0.000 0.997 187 E CB -1.645 28.050 29.700 -0.009 0.000 0.834 187 E HN 2.033 nan 8.360 nan 0.000 0.334 188 G N 1.462 110.258 108.800 -0.007 0.000 2.358 188 G HA2 -0.203 3.757 3.960 0.000 0.000 0.224 188 G HA3 -0.203 3.757 3.960 0.000 0.000 0.224 188 G C 0.550 175.446 174.900 -0.006 0.000 1.073 188 G CA 0.115 45.211 45.100 -0.006 0.000 0.635 188 G HN 1.453 nan 8.290 nan 0.000 0.509 189 G N -1.292 107.501 108.800 -0.013 0.000 3.135 189 G HA2 0.873 4.833 3.960 0.000 0.000 0.278 189 G HA3 0.873 4.833 3.960 0.000 0.000 0.278 189 G C -0.642 174.242 174.900 -0.026 0.000 1.302 189 G CA 0.643 45.733 45.100 -0.017 0.000 0.880 189 G HN 1.627 nan 8.290 nan 0.000 0.574 190 V N -2.730 117.161 119.914 -0.039 0.000 3.040 190 V HA 0.859 4.979 4.120 0.000 0.000 0.312 190 V C -0.748 175.306 176.094 -0.067 0.000 1.115 190 V CA -1.072 61.200 62.300 -0.047 0.000 0.998 190 V CB 1.568 33.359 31.823 -0.053 0.000 1.042 190 V HN 0.625 nan 8.190 nan 0.000 0.433 191 V N 3.995 123.865 119.914 -0.073 0.000 2.409 191 V HA 0.531 4.651 4.120 0.000 0.000 0.291 191 V C -0.383 175.612 176.094 -0.164 0.000 1.020 191 V CA -0.404 61.818 62.300 -0.131 0.000 0.848 191 V CB 1.414 33.164 31.823 -0.121 0.000 0.990 191 V HN 0.714 nan 8.190 nan 0.000 0.430 192 I N 4.491 124.929 120.570 -0.219 0.000 2.354 192 I HA 0.473 4.643 4.170 0.000 0.000 0.292 192 I C -0.087 175.840 176.117 -0.317 0.000 0.989 192 I CA -0.348 60.842 61.300 -0.185 0.000 1.188 192 I CB 1.256 39.180 38.000 -0.126 0.000 1.342 192 I HN 0.580 nan 8.210 nan 0.000 0.457 193 H N 5.239 124.287 119.070 -0.037 0.000 2.469 193 H HA 0.602 5.158 4.556 -0.000 0.000 0.342 193 H C -0.388 174.917 175.328 -0.039 0.000 1.115 193 H CA -0.354 55.674 56.048 -0.033 0.000 1.204 193 H CB 2.451 32.198 29.762 -0.025 0.000 1.492 193 H HN 0.813 nan 8.280 nan 0.000 0.499 194 C N 0.477 119.814 119.300 0.063 0.000 3.284 194 C HA 0.319 4.779 4.460 0.000 0.000 0.338 194 C C 0.543 175.525 174.990 -0.013 0.000 1.237 194 C CA -1.121 57.899 59.018 0.003 0.000 1.276 194 C CB 1.166 28.887 27.740 -0.032 0.000 1.601 194 C HN 0.742 nan 8.230 nan 0.000 0.494 195 S N 1.935 117.605 115.700 -0.051 0.000 3.900 195 S HA 0.499 4.969 4.470 0.000 0.000 0.248 195 S C 0.121 174.653 174.600 -0.115 0.000 1.310 195 S CA 0.413 58.564 58.200 -0.082 0.000 0.915 195 S CB -0.976 62.144 63.200 -0.134 0.000 1.588 195 S HN 1.225 nan 8.310 nan 0.000 0.472 196 S N 2.943 118.601 115.700 -0.070 0.000 2.538 196 S HA 0.375 4.845 4.470 0.000 0.000 0.288 196 S C 0.478 175.062 174.600 -0.028 0.000 1.108 196 S CA -0.667 57.500 58.200 -0.055 0.000 0.971 196 S CB 1.534 64.715 63.200 -0.031 0.000 1.041 196 S HN 0.664 nan 8.310 nan 0.000 0.483 197 Q N 1.829 121.617 119.800 -0.021 0.000 2.482 197 Q HA 0.093 4.433 4.340 0.000 0.000 0.209 197 Q C -0.045 175.999 176.000 0.073 0.000 0.961 197 Q CA 0.587 56.387 55.803 -0.005 0.000 0.945 197 Q CB 0.043 28.763 28.738 -0.031 0.000 1.012 197 Q HN 0.760 nan 8.270 nan 0.000 0.515 198 H N -0.100 118.950 119.070 -0.033 0.000 2.562 198 H HA 0.125 4.681 4.556 0.000 0.000 0.230 198 H C -2.036 173.271 175.328 -0.034 0.000 1.415 198 H CA -1.955 54.076 56.048 -0.028 0.000 1.454 198 H CB 1.206 30.953 29.762 -0.025 0.000 1.716 198 H HN -0.001 nan 8.280 nan 0.000 0.538 199 P HA -0.081 nan 4.420 nan 0.000 0.223 199 P C 1.320 178.573 177.300 -0.078 0.000 1.151 199 P CA 0.750 63.837 63.100 -0.020 0.000 0.787 199 P CB 0.576 32.272 31.700 -0.008 0.000 0.788 200 S N 0.343 116.010 115.700 -0.055 0.000 2.355 200 S HA -0.168 4.302 4.470 0.000 0.000 0.222 200 S C 2.039 176.477 174.600 -0.270 0.000 1.031 200 S CA 1.294 59.430 58.200 -0.106 0.000 0.993 200 S CB -0.747 62.464 63.200 0.017 0.000 0.859 200 S HN 0.324 nan 8.310 nan 0.000 0.453 201 E N 0.922 120.748 120.200 -0.623 0.000 2.058 201 E HA -0.155 4.195 4.350 0.000 0.000 0.194 201 E C 1.922 178.380 176.600 -0.236 0.000 0.997 201 E CA 1.147 57.220 56.400 -0.545 0.000 0.801 201 E CB -0.126 29.058 29.700 -0.860 0.000 0.746 201 E HN 0.286 nan 8.360 nan 0.000 0.450 202 I N 1.490 121.932 120.570 -0.213 0.000 2.113 202 I HA -0.372 3.798 4.170 0.000 0.000 0.242 202 I C 2.703 178.717 176.117 -0.172 0.000 1.064 202 I CA 1.840 63.056 61.300 -0.139 0.000 1.320 202 I CB -1.560 36.374 38.000 -0.109 0.000 1.028 202 I HN 0.436 nan 8.210 nan 0.000 0.406 203 Q N 0.535 120.208 119.800 -0.210 0.000 2.014 203 Q HA -0.326 4.014 4.340 0.000 0.000 0.207 203 Q C 2.400 178.098 176.000 -0.503 0.000 0.993 203 Q CA 2.557 58.180 55.803 -0.300 0.000 0.850 203 Q CB -0.441 28.136 28.738 -0.268 0.000 0.916 203 Q HN 0.673 nan 8.270 nan 0.000 0.417 204 H N 0.021 118.684 119.070 -0.679 0.000 2.357 204 H HA -0.143 4.413 4.556 0.000 0.000 0.296 204 H C 1.885 176.997 175.328 -0.359 0.000 1.108 204 H CA 2.218 57.759 56.048 -0.846 0.000 1.273 204 H CB 0.196 29.776 29.762 -0.303 0.000 1.367 204 H HN 0.089 nan 8.280 nan 0.000 0.498 205 K N 0.080 120.400 120.400 -0.133 0.000 2.031 205 K HA -0.041 4.279 4.320 0.000 0.000 0.205 205 K C 2.429 178.950 176.600 -0.131 0.000 1.049 205 K CA 1.117 57.363 56.287 -0.067 0.000 0.939 205 K CB -0.524 31.978 32.500 0.004 0.000 0.717 205 K HN 0.256 nan 8.250 nan 0.000 0.438 206 V N 1.885 121.698 119.914 -0.167 0.000 2.407 206 V HA -0.246 3.874 4.120 0.000 0.000 0.248 206 V C 2.481 178.464 176.094 -0.185 0.000 1.055 206 V CA 1.896 64.107 62.300 -0.149 0.000 1.049 206 V CB -0.798 30.939 31.823 -0.143 0.000 0.662 206 V HN 0.283 nan 8.190 nan 0.000 0.455 207 A N -0.598 122.032 122.820 -0.318 0.000 1.883 207 A HA -0.289 4.031 4.320 0.000 0.000 0.217 207 A C 2.001 179.412 177.584 -0.288 0.000 1.186 207 A CA 2.346 54.174 52.037 -0.349 0.000 0.624 207 A CB -0.855 17.792 19.000 -0.588 0.000 0.822 207 A HN 0.701 nan 8.150 nan 0.000 0.444 208 H N -0.878 118.070 119.070 -0.205 0.000 2.389 208 H HA 0.127 4.683 4.556 -0.000 0.000 0.299 208 H C 2.438 177.710 175.328 -0.093 0.000 1.081 208 H CA 1.176 57.137 56.048 -0.144 0.000 1.345 208 H CB -0.018 29.638 29.762 -0.177 0.000 1.393 208 H HN 0.542 nan 8.280 nan 0.000 0.520 209 A N 0.613 123.452 122.820 0.032 0.000 1.930 209 A HA -0.088 4.232 4.320 0.000 0.000 0.217 209 A C 2.089 179.713 177.584 0.066 0.000 1.175 209 A CA 1.111 53.176 52.037 0.048 0.000 0.627 209 A CB -0.433 18.573 19.000 0.009 0.000 0.815 209 A HN 0.342 nan 8.150 nan 0.000 0.443 210 L N -1.275 119.939 121.223 -0.015 0.000 2.509 210 L HA 0.161 4.501 4.340 0.000 0.000 0.222 210 L C 1.461 178.239 176.870 -0.153 0.000 1.123 210 L CA 0.531 55.368 54.840 -0.006 0.000 0.856 210 L CB -0.414 41.620 42.059 -0.042 0.000 0.985 210 L HN 0.597 nan 8.230 nan 0.000 0.456 211 G N 1.529 110.094 108.800 -0.391 0.000 2.289 211 G HA2 -0.256 3.704 3.960 0.000 0.000 0.280 211 G HA3 -0.256 3.704 3.960 0.000 0.000 0.280 211 G C -0.344 174.342 174.900 -0.356 0.000 1.089 211 G CA -0.003 44.629 45.100 -0.780 0.000 0.939 211 G HN 0.235 nan 8.290 nan 0.000 0.499 212 L N -0.587 120.510 121.223 -0.209 0.000 2.354 212 L HA 0.859 5.199 4.340 0.000 0.000 0.264 212 L C 0.879 177.701 176.870 -0.079 0.000 1.008 212 L CA -0.904 53.871 54.840 -0.107 0.000 0.819 212 L CB 1.937 43.955 42.059 -0.068 0.000 1.339 212 L HN 0.375 nan 8.230 nan 0.000 0.420 213 A N 0.447 123.246 122.820 -0.034 0.000 2.425 213 A HA 0.264 4.584 4.320 0.000 0.000 0.242 213 A C 0.639 178.261 177.584 0.063 0.000 1.077 213 A CA -0.011 51.983 52.037 -0.071 0.000 0.781 213 A CB -0.012 18.808 19.000 -0.301 0.000 1.020 213 A HN 0.613 nan 8.150 nan 0.000 0.494 214 F N 0.746 120.536 119.950 -0.268 0.000 2.202 214 F HA -0.191 4.336 4.527 -0.000 0.000 0.301 214 F C 2.324 178.099 175.800 -0.041 0.000 1.082 214 F CA 2.200 60.101 58.000 -0.164 0.000 1.313 214 F CB -0.931 37.982 39.000 -0.145 0.000 1.024 214 F HN 0.876 nan 8.300 nan 0.000 0.495 215 H N -2.687 116.454 119.070 0.118 0.000 2.563 215 H HA 0.026 4.582 4.556 -0.000 0.000 0.272 215 H C 0.537 175.867 175.328 0.004 0.000 1.005 215 H CA 0.629 56.703 56.048 0.044 0.000 1.171 215 H CB -0.207 29.571 29.762 0.027 0.000 1.351 215 H HN 0.152 nan 8.280 nan 0.000 0.602 216 D N 1.256 121.825 120.400 0.282 0.000 2.369 216 D HA 0.124 4.764 4.640 0.000 0.000 0.211 216 D C -0.186 176.121 176.300 0.012 0.000 1.077 216 D CA 0.135 54.202 54.000 0.112 0.000 0.842 216 D CB 1.200 42.068 40.800 0.113 0.000 0.947 216 D HN 0.170 nan 8.370 nan 0.000 0.509 217 V N 1.553 121.457 119.914 -0.016 0.000 2.407 217 V HA 0.326 4.446 4.120 0.000 0.000 0.291 217 V C 0.039 176.085 176.094 -0.081 0.000 1.018 217 V CA -0.882 61.369 62.300 -0.082 0.000 0.842 217 V CB 2.471 34.200 31.823 -0.157 0.000 0.996 217 V HN -0.119 nan 8.190 nan 0.000 0.426 218 R N 4.050 124.498 120.500 -0.087 0.000 2.387 218 R HA 0.743 5.083 4.340 0.000 0.000 0.314 218 R C -1.747 174.469 176.300 -0.140 0.000 0.958 218 R CA -0.376 55.668 56.100 -0.093 0.000 0.846 218 R CB 1.892 32.145 30.300 -0.079 0.000 1.147 218 R HN 0.513 nan 8.270 nan 0.000 0.447 219 V N 4.573 124.409 119.914 -0.130 0.000 2.384 219 V HA 0.325 4.445 4.120 0.000 0.000 0.287 219 V C -0.471 175.541 176.094 -0.137 0.000 1.020 219 V CA -0.666 61.543 62.300 -0.151 0.000 0.850 219 V CB 1.627 33.379 31.823 -0.119 0.000 0.987 219 V HN 0.798 nan 8.190 nan 0.000 0.436 220 E N 4.955 125.036 120.200 -0.199 0.000 2.155 220 E HA 0.583 4.933 4.350 0.000 0.000 0.264 220 E C -0.841 175.757 176.600 -0.003 0.000 0.886 220 E CA -0.767 55.569 56.400 -0.107 0.000 0.752 220 E CB 2.303 31.925 29.700 -0.130 0.000 1.133 220 E HN 0.594 nan 8.360 nan 0.000 0.414 221 M N 3.273 122.884 119.600 0.019 0.000 2.142 221 M HA 0.353 4.833 4.480 0.000 0.000 0.299 221 M C -0.196 176.136 176.300 0.055 0.000 0.960 221 M CA -0.390 54.934 55.300 0.040 0.000 0.920 221 M CB 1.538 34.146 32.600 0.013 0.000 1.541 221 M HN 0.320 nan 8.290 nan 0.000 0.429 222 R N 3.837 124.377 120.500 0.066 0.000 2.051 222 R HA 0.459 4.799 4.340 0.000 0.000 0.218 222 R C -0.341 176.017 176.300 0.097 0.000 1.188 222 R CA 1.636 57.778 56.100 0.070 0.000 0.992 222 R CB 0.448 30.765 30.300 0.029 0.000 0.883 222 R HN 0.790 nan 8.270 nan 0.000 0.444 223 R N -1.097 119.442 120.500 0.065 0.000 2.739 223 R HA 0.495 4.835 4.340 0.000 0.000 0.271 223 R C -1.198 175.177 176.300 0.125 0.000 1.010 223 R CA -0.813 55.341 56.100 0.090 0.000 0.897 223 R CB 1.398 31.750 30.300 0.086 0.000 1.236 223 R HN 0.027 nan 8.270 nan 0.000 0.466 224 M N 0.592 120.261 119.600 0.114 0.000 2.598 224 M HA 0.403 4.883 4.480 0.000 0.000 0.317 224 M C 0.531 176.885 176.300 0.090 0.000 1.179 224 M CA -0.765 54.578 55.300 0.072 0.000 0.936 224 M CB 2.482 35.040 32.600 -0.070 0.000 1.713 224 M HN 0.983 nan 8.290 nan 0.000 0.460 225 G N 1.208 109.978 108.800 -0.050 0.000 3.574 225 G HA2 0.491 4.451 3.960 0.000 0.000 0.262 225 G HA3 0.491 4.451 3.960 0.000 0.000 0.262 225 G C 0.313 175.184 174.900 -0.049 0.000 1.231 225 G CA 0.216 45.202 45.100 -0.190 0.000 1.608 225 G HN 1.089 nan 8.290 nan 0.000 0.628 226 G N -1.531 107.222 108.800 -0.079 0.000 2.907 226 G HA2 0.329 4.289 3.960 0.000 0.000 0.686 226 G HA3 0.329 4.289 3.960 0.000 0.000 0.686 226 G C 0.553 175.358 174.900 -0.158 0.000 1.115 226 G CA -0.363 44.652 45.100 -0.141 0.000 0.760 226 G HN 1.053 nan 8.290 nan 0.000 0.620 227 G N -0.119 108.447 108.800 -0.390 0.000 2.849 227 G HA2 0.523 4.483 3.960 0.000 0.000 0.202 227 G HA3 0.523 4.483 3.960 0.000 0.000 0.202 227 G C 0.945 175.837 174.900 -0.013 0.000 1.138 227 G CA 0.842 45.826 45.100 -0.193 0.000 0.692 227 G HN 1.646 nan 8.290 nan 0.000 0.786 228 F N 0.668 120.612 119.950 -0.011 0.000 3.079 228 F HA -0.215 4.312 4.527 -0.000 0.000 0.285 228 F C 1.958 177.719 175.800 -0.065 0.000 0.819 228 F CA 1.032 59.020 58.000 -0.020 0.000 1.067 228 F CB -1.423 37.567 39.000 -0.017 0.000 1.263 228 F HN 0.951 nan 8.300 nan 0.000 0.458 229 G N -1.205 107.610 108.800 0.024 0.000 2.284 229 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 229 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 229 G C 1.050 175.877 174.900 -0.122 0.000 1.009 229 G CA -0.076 45.062 45.100 0.064 0.000 0.625 229 G HN 1.204 nan 8.290 nan 0.000 0.501 230 G N -0.023 108.411 108.800 -0.610 0.000 2.848 230 G HA2 0.356 4.316 3.960 0.000 0.000 0.208 230 G HA3 0.356 4.316 3.960 0.000 0.000 0.208 230 G C 0.974 175.738 174.900 -0.226 0.000 1.152 230 G CA 1.167 45.790 45.100 -0.796 0.000 0.789 230 G HN 0.494 nan 8.290 nan 0.000 0.531 231 K N -0.346 119.947 120.400 -0.179 0.000 2.592 231 K HA 0.167 4.487 4.320 0.000 0.000 0.203 231 K C 1.279 177.852 176.600 -0.044 0.000 1.070 231 K CA -0.107 56.094 56.287 -0.143 0.000 1.062 231 K CB 0.793 33.146 32.500 -0.245 0.000 0.814 231 K HN 0.311 nan 8.250 nan 0.000 0.502 232 E N 0.900 121.102 120.200 0.003 0.000 2.072 232 E HA -0.133 4.217 4.350 0.000 0.000 0.190 232 E C 1.436 178.113 176.600 0.128 0.000 0.982 232 E CA 1.796 58.241 56.400 0.075 0.000 0.803 232 E CB 0.329 30.087 29.700 0.097 0.000 0.755 232 E HN 0.202 nan 8.360 nan 0.000 0.453 233 S N -1.667 114.098 115.700 0.109 0.000 2.648 233 S HA 0.089 4.559 4.470 0.000 0.000 0.270 233 S C 1.500 176.186 174.600 0.143 0.000 1.082 233 S CA -0.588 57.685 58.200 0.122 0.000 1.116 233 S CB 0.161 63.439 63.200 0.130 0.000 1.040 233 S HN 0.079 nan 8.310 nan 0.000 0.572 234 Q N 1.617 121.496 119.800 0.131 0.000 2.437 234 Q HA 0.136 4.476 4.340 0.000 0.000 0.210 234 Q C 1.890 177.996 176.000 0.176 0.000 0.972 234 Q CA 1.283 57.197 55.803 0.185 0.000 0.903 234 Q CB -0.750 28.076 28.738 0.147 0.000 0.967 234 Q HN 0.723 nan 8.270 nan 0.000 0.486 235 G N 1.016 109.864 108.800 0.080 0.000 2.484 235 G HA2 -0.212 3.748 3.960 0.000 0.000 0.218 235 G HA3 -0.212 3.748 3.960 0.000 0.000 0.218 235 G C 1.262 176.200 174.900 0.064 0.000 1.130 235 G CA 0.254 45.368 45.100 0.023 0.000 0.784 235 G HN 0.411 nan 8.290 nan 0.000 0.543 236 N N 0.034 118.795 118.700 0.101 0.000 2.094 236 N HA -0.177 4.563 4.740 0.000 0.000 0.191 236 N C 1.887 177.431 175.510 0.057 0.000 1.023 236 N CA 1.192 54.268 53.050 0.043 0.000 0.857 236 N CB -0.218 38.268 38.487 -0.003 0.000 1.013 236 N HN 0.403 nan 8.380 nan 0.000 0.426 237 H N 0.271 119.429 119.070 0.146 0.000 2.353 237 H HA -0.046 4.510 4.556 -0.000 0.000 0.300 237 H C 1.931 177.425 175.328 0.277 0.000 1.090 237 H CA 1.040 57.242 56.048 0.257 0.000 1.327 237 H CB -0.124 29.856 29.762 0.364 0.000 1.383 237 H HN 0.114 nan 8.280 nan 0.000 0.508 238 L N -0.152 121.219 121.223 0.247 0.000 2.072 238 L HA -0.058 4.282 4.340 0.000 0.000 0.205 238 L C 2.651 179.526 176.870 0.008 0.000 1.079 238 L CA 1.394 56.263 54.840 0.047 0.000 0.752 238 L CB -0.673 41.292 42.059 -0.156 0.000 0.906 238 L HN 0.291 nan 8.230 nan 0.000 0.436 239 A N -0.284 122.537 122.820 0.003 0.000 1.933 239 A HA -0.146 4.174 4.320 0.000 0.000 0.218 239 A C 2.303 179.870 177.584 -0.027 0.000 1.175 239 A CA 1.668 53.689 52.037 -0.027 0.000 0.628 239 A CB -0.728 18.247 19.000 -0.042 0.000 0.814 239 A HN 0.371 nan 8.150 nan 0.000 0.444 240 I N -0.500 120.071 120.570 0.001 0.000 2.233 240 I HA -0.187 3.983 4.170 0.000 0.000 0.243 240 I C 2.966 179.079 176.117 -0.007 0.000 1.093 240 I CA 0.863 62.159 61.300 -0.007 0.000 1.380 240 I CB -0.342 37.658 38.000 0.001 0.000 1.067 240 I HN 0.323 nan 8.210 nan 0.000 0.413 241 A N 0.149 122.999 122.820 0.050 0.000 1.892 241 A HA -0.282 4.038 4.320 0.000 0.000 0.218 241 A C 2.466 179.982 177.584 -0.112 0.000 1.188 241 A CA 2.216 54.250 52.037 -0.006 0.000 0.631 241 A CB -1.383 17.610 19.000 -0.011 0.000 0.822 241 A HN 0.548 nan 8.150 nan 0.000 0.447 242 C N -1.277 117.972 119.300 -0.085 0.000 2.436 242 C HA 0.057 4.517 4.460 0.000 0.000 0.277 242 C C 3.370 178.306 174.990 -0.091 0.000 1.241 242 C CA 0.872 59.839 59.018 -0.086 0.000 1.721 242 C CB -1.427 26.277 27.740 -0.060 0.000 2.043 242 C HN 0.721 nan 8.230 nan 0.000 0.472 243 A N 0.099 122.872 122.820 -0.079 0.000 1.908 243 A HA -0.138 4.182 4.320 0.000 0.000 0.218 243 A C 2.282 179.812 177.584 -0.090 0.000 1.181 243 A CA 2.333 54.326 52.037 -0.073 0.000 0.627 243 A CB -0.780 18.179 19.000 -0.068 0.000 0.818 243 A HN 0.392 nan 8.150 nan 0.000 0.445 244 V N -0.414 119.420 119.914 -0.134 0.000 2.307 244 V HA -0.204 3.916 4.120 0.000 0.000 0.245 244 V C 3.059 178.970 176.094 -0.305 0.000 1.045 244 V CA 1.906 64.087 62.300 -0.198 0.000 1.024 244 V CB -1.144 30.533 31.823 -0.243 0.000 0.651 244 V HN 0.622 nan 8.190 nan 0.000 0.449 245 A N -0.127 122.451 122.820 -0.402 0.000 1.933 245 A HA -0.097 4.223 4.320 0.000 0.000 0.218 245 A C 2.380 179.942 177.584 -0.037 0.000 1.175 245 A CA 2.031 53.889 52.037 -0.298 0.000 0.628 245 A CB -0.690 18.200 19.000 -0.184 0.000 0.814 245 A HN 0.566 nan 8.150 nan 0.000 0.444 246 A N -0.518 122.269 122.820 -0.054 0.000 1.930 246 A HA -0.111 4.209 4.320 0.000 0.000 0.217 246 A C 2.232 179.819 177.584 0.006 0.000 1.175 246 A CA 1.545 53.573 52.037 -0.015 0.000 0.627 246 A CB -0.424 18.559 19.000 -0.028 0.000 0.815 246 A HN 0.519 nan 8.150 nan 0.000 0.443 247 R N -0.654 119.844 120.500 -0.003 0.000 2.189 247 R HA 0.017 4.357 4.340 0.000 0.000 0.218 247 R C 2.003 178.339 176.300 0.060 0.000 1.074 247 R CA 1.098 57.211 56.100 0.022 0.000 0.991 247 R CB -0.201 30.110 30.300 0.017 0.000 0.883 247 R HN 0.464 nan 8.270 nan 0.000 0.457 248 A N -0.485 122.392 122.820 0.096 0.000 1.984 248 A HA -0.033 4.287 4.320 0.000 0.000 0.214 248 A C 1.887 179.568 177.584 0.161 0.000 1.173 248 A CA 1.232 53.381 52.037 0.187 0.000 0.673 248 A CB -0.075 19.175 19.000 0.417 0.000 0.830 248 A HN 0.485 nan 8.150 nan 0.000 0.453 249 T N -5.182 109.456 114.554 0.139 0.000 3.022 249 T HA 0.401 4.752 4.350 0.000 0.000 0.250 249 T C 1.516 176.250 174.700 0.056 0.000 1.060 249 T CA 1.144 63.304 62.100 0.099 0.000 1.013 249 T CB 0.288 69.218 68.868 0.103 0.000 0.982 249 T HN 1.564 nan 8.240 nan 0.000 0.508 250 G N 1.887 110.715 108.800 0.047 0.000 2.189 250 G HA2 -0.281 3.679 3.960 0.000 0.000 0.267 250 G HA3 -0.281 3.679 3.960 0.000 0.000 0.267 250 G C 0.259 175.170 174.900 0.017 0.000 0.975 250 G CA 0.219 45.336 45.100 0.028 0.000 0.644 250 G HN 0.674 nan 8.290 nan 0.000 0.537 251 R N 0.899 121.410 120.500 0.017 0.000 2.596 251 R HA 0.486 4.826 4.340 0.000 0.000 0.267 251 R C -2.362 173.932 176.300 -0.009 0.000 1.026 251 R CA -1.787 54.315 56.100 0.002 0.000 1.087 251 R CB 1.033 31.332 30.300 -0.001 0.000 1.132 251 R HN 0.104 nan 8.270 nan 0.000 0.531 252 P HA 0.079 nan 4.420 nan 0.000 0.271 252 P C -0.664 176.602 177.300 -0.057 0.000 1.216 252 P CA -0.172 62.911 63.100 -0.028 0.000 0.776 252 P CB 0.620 32.305 31.700 -0.025 0.000 0.881 253 C N 3.415 122.683 119.300 -0.052 0.000 2.431 253 C HA 0.476 4.936 4.460 0.000 0.000 0.321 253 C C 0.241 175.197 174.990 -0.057 0.000 1.202 253 C CA -0.380 58.595 59.018 -0.071 0.000 1.398 253 C CB 1.267 28.976 27.740 -0.053 0.000 2.047 253 C HN 0.563 nan 8.230 nan 0.000 0.465 254 K N 3.401 123.761 120.400 -0.068 0.000 2.207 254 K HA 0.791 5.111 4.320 0.000 0.000 0.255 254 K C -1.257 175.377 176.600 0.056 0.000 0.941 254 K CA -0.437 55.857 56.287 0.012 0.000 0.825 254 K CB 1.473 34.020 32.500 0.077 0.000 1.119 254 K HN 0.842 nan 8.250 nan 0.000 0.430 255 M N 4.442 124.057 119.600 0.027 0.000 2.326 255 M HA 0.392 4.872 4.480 0.000 0.000 0.292 255 M C -1.772 174.520 176.300 -0.014 0.000 1.081 255 M CA -0.647 54.661 55.300 0.014 0.000 0.919 255 M CB 1.722 34.267 32.600 -0.092 0.000 1.634 255 M HN 0.682 nan 8.290 nan 0.000 0.451 256 R N 3.615 124.154 120.500 0.065 0.000 2.574 256 R HA 0.446 4.786 4.340 0.000 0.000 0.288 256 R C -1.883 174.548 176.300 0.218 0.000 1.004 256 R CA -0.792 55.319 56.100 0.019 0.000 0.895 256 R CB 1.001 31.277 30.300 -0.040 0.000 1.191 256 R HN 0.616 nan 8.270 nan 0.000 0.444 257 Y N 1.368 121.732 120.300 0.108 0.000 2.511 257 Y HA -0.045 4.505 4.550 0.000 0.000 0.332 257 Y C 0.757 176.740 175.900 0.137 0.000 1.177 257 Y CA -0.436 57.744 58.100 0.134 0.000 1.422 257 Y CB 0.803 39.340 38.460 0.128 0.000 1.271 257 Y HN 0.668 nan 8.280 nan 0.000 0.550 258 D N 2.213 122.811 120.400 0.329 0.000 2.414 258 D HA 0.000 4.640 4.640 0.000 0.000 0.242 258 D C 1.253 177.649 176.300 0.160 0.000 1.129 258 D CA -0.169 53.964 54.000 0.222 0.000 0.885 258 D CB 0.968 41.882 40.800 0.189 0.000 1.198 258 D HN 0.465 nan 8.370 nan 0.000 0.437 259 R N 2.344 122.908 120.500 0.108 0.000 2.140 259 R HA -0.237 4.103 4.340 0.000 0.000 0.250 259 R C 0.902 177.253 176.300 0.085 0.000 1.150 259 R CA 2.421 58.560 56.100 0.064 0.000 0.966 259 R CB -0.277 30.042 30.300 0.033 0.000 0.869 259 R HN 0.602 nan 8.270 nan 0.000 0.445 260 D N -0.327 120.138 120.400 0.109 0.000 2.103 260 D HA -0.098 4.542 4.640 0.000 0.000 0.199 260 D C 1.399 177.763 176.300 0.106 0.000 0.978 260 D CA 1.566 55.663 54.000 0.163 0.000 0.829 260 D CB -0.201 40.725 40.800 0.210 0.000 0.981 260 D HN 0.289 nan 8.370 nan 0.000 0.464 261 D N 0.522 120.948 120.400 0.044 0.000 2.123 261 D HA -0.175 4.465 4.640 0.000 0.000 0.196 261 D C 1.640 177.858 176.300 -0.137 0.000 0.992 261 D CA 0.830 54.788 54.000 -0.070 0.000 0.833 261 D CB -0.421 40.320 40.800 -0.099 0.000 0.954 261 D HN 0.197 nan 8.370 nan 0.000 0.455 262 D N 0.163 120.553 120.400 -0.016 0.000 2.106 262 D HA -0.160 4.481 4.640 0.000 0.000 0.191 262 D C 2.022 178.360 176.300 0.063 0.000 0.997 262 D CA 1.041 55.100 54.000 0.099 0.000 0.834 262 D CB 0.011 40.954 40.800 0.240 0.000 0.956 262 D HN 0.206 nan 8.370 nan 0.000 0.448 263 M N -0.095 119.531 119.600 0.043 0.000 2.319 263 M HA -0.095 4.385 4.480 0.000 0.000 0.265 263 M C 2.348 178.670 176.300 0.037 0.000 1.068 263 M CA 0.442 55.756 55.300 0.023 0.000 1.118 263 M CB 0.145 32.750 32.600 0.009 0.000 1.395 263 M HN -0.070 nan 8.290 nan 0.000 0.435 264 V N 0.582 120.514 119.914 0.030 0.000 2.379 264 V HA -0.204 3.916 4.120 0.000 0.000 0.245 264 V C 2.121 178.297 176.094 0.136 0.000 1.044 264 V CA 1.522 63.847 62.300 0.042 0.000 1.036 264 V CB -0.398 31.396 31.823 -0.048 0.000 0.664 264 V HN 0.394 nan 8.190 nan 0.000 0.453 265 I N 0.072 120.661 120.570 0.033 0.000 2.296 265 I HA -0.050 4.120 4.170 0.000 0.000 0.242 265 I C 1.547 177.756 176.117 0.153 0.000 1.087 265 I CA 1.044 62.391 61.300 0.078 0.000 1.393 265 I CB -0.412 37.454 38.000 -0.223 0.000 1.093 265 I HN 0.417 nan 8.210 nan 0.000 0.421 266 T N -0.395 114.230 114.554 0.118 0.000 2.816 266 T HA 0.471 4.821 4.350 0.000 0.000 0.282 266 T C 0.445 175.210 174.700 0.108 0.000 0.993 266 T CA -0.489 61.698 62.100 0.144 0.000 0.994 266 T CB 1.218 70.223 68.868 0.228 0.000 1.025 266 T HN 0.240 nan 8.240 nan 0.000 0.529 267 G N 0.269 109.132 108.800 0.105 0.000 2.621 267 G HA2 0.564 4.524 3.960 0.000 0.000 0.271 267 G HA3 0.564 4.524 3.960 0.000 0.000 0.271 267 G C -0.639 174.349 174.900 0.147 0.000 1.236 267 G CA -0.812 44.335 45.100 0.078 0.000 0.958 267 G HN 0.804 nan 8.290 nan 0.000 0.512 268 K N -1.442 119.020 120.400 0.104 0.000 2.283 268 K HA 0.419 4.739 4.320 0.000 0.000 0.257 268 K C -0.122 176.531 176.600 0.088 0.000 1.066 268 K CA -0.928 55.439 56.287 0.133 0.000 0.891 268 K CB 1.712 34.280 32.500 0.113 0.000 1.438 268 K HN 0.441 nan 8.250 nan 0.000 0.464 269 R N 1.258 121.825 120.500 0.111 0.000 2.522 269 R HA 0.036 4.376 4.340 0.000 0.000 0.284 269 R C -0.771 175.553 176.300 0.041 0.000 1.032 269 R CA 0.002 56.117 56.100 0.025 0.000 1.049 269 R CB 0.076 30.192 30.300 -0.307 0.000 0.956 269 R HN 0.527 nan 8.270 nan 0.000 0.422 270 H N 2.922 122.038 119.070 0.077 0.000 3.145 270 H HA -0.052 4.504 4.556 0.000 0.000 0.288 270 H C -0.243 175.213 175.328 0.213 0.000 0.969 270 H CA 0.736 56.841 56.048 0.095 0.000 1.444 270 H CB 0.180 29.988 29.762 0.077 0.000 1.500 270 H HN 0.515 nan 8.280 nan 0.000 0.552 271 D N 3.710 124.242 120.400 0.221 0.000 2.350 271 D HA 0.077 4.717 4.640 0.000 0.000 0.249 271 D C -0.265 176.120 176.300 0.142 0.000 1.119 271 D CA -0.130 54.016 54.000 0.243 0.000 0.886 271 D CB 0.881 41.788 40.800 0.178 0.000 1.195 271 D HN 0.261 nan 8.370 nan 0.000 0.437 272 F N 0.143 120.099 119.950 0.010 0.000 2.538 272 F HA 0.384 4.911 4.527 0.000 0.000 0.325 272 F C 0.898 176.639 175.800 -0.098 0.000 1.066 272 F CA -1.203 56.767 58.000 -0.050 0.000 0.946 272 F CB 2.307 41.236 39.000 -0.118 0.000 1.199 272 F HN 0.119 nan 8.300 nan 0.000 0.473 273 R N 3.598 124.151 120.500 0.089 0.000 2.310 273 R HA 0.596 4.936 4.340 0.000 0.000 0.324 273 R C -1.613 174.771 176.300 0.139 0.000 0.955 273 R CA -0.376 55.751 56.100 0.044 0.000 0.830 273 R CB 0.750 31.068 30.300 0.030 0.000 1.154 273 R HN 0.697 nan 8.270 nan 0.000 0.458 274 I N 4.792 125.415 120.570 0.088 0.000 2.354 274 I HA 0.345 4.515 4.170 0.000 0.000 0.286 274 I C 0.034 176.406 176.117 0.426 0.000 1.007 274 I CA -0.663 60.824 61.300 0.312 0.000 1.167 274 I CB 1.601 39.781 38.000 0.300 0.000 1.320 274 I HN 0.428 nan 8.210 nan 0.000 0.458 275 R N 6.826 127.544 120.500 0.364 0.000 2.265 275 R HA 0.486 4.826 4.340 0.000 0.000 0.319 275 R C -1.549 174.919 176.300 0.281 0.000 1.006 275 R CA -0.441 55.797 56.100 0.230 0.000 0.880 275 R CB 1.043 31.409 30.300 0.109 0.000 1.077 275 R HN 0.560 nan 8.270 nan 0.000 0.454 276 Y N 0.298 120.664 120.300 0.110 0.000 2.545 276 Y HA 0.603 5.154 4.550 0.000 0.000 0.348 276 Y C -1.130 174.649 175.900 -0.201 0.000 1.002 276 Y CA -1.362 56.690 58.100 -0.081 0.000 1.039 276 Y CB 1.558 40.003 38.460 -0.025 0.000 1.271 276 Y HN 0.379 nan 8.280 nan 0.000 0.467 277 R N 3.959 124.362 120.500 -0.162 0.000 2.507 277 R HA 0.544 4.884 4.340 0.000 0.000 0.298 277 R C -1.729 174.460 176.300 -0.186 0.000 1.087 277 R CA -0.533 55.464 56.100 -0.171 0.000 0.917 277 R CB 2.066 32.270 30.300 -0.160 0.000 1.173 277 R HN 0.921 nan 8.270 nan 0.000 0.472 278 I N 1.159 121.660 120.570 -0.115 0.000 2.562 278 I HA 0.724 4.894 4.170 0.000 0.000 0.301 278 I C -0.401 175.662 176.117 -0.090 0.000 1.003 278 I CA -0.405 60.816 61.300 -0.133 0.000 1.127 278 I CB 1.927 39.851 38.000 -0.127 0.000 1.304 278 I HN 0.675 nan 8.210 nan 0.000 0.446 279 G N 4.644 113.396 108.800 -0.079 0.000 2.660 279 G HA2 0.831 4.791 3.960 0.000 0.000 0.294 279 G HA3 0.831 4.791 3.960 0.000 0.000 0.294 279 G C -1.821 173.061 174.900 -0.029 0.000 1.369 279 G CA -0.254 44.820 45.100 -0.043 0.000 0.912 279 G HN 0.911 nan 8.290 nan 0.000 0.479 280 A N 0.226 123.053 122.820 0.011 0.000 2.533 280 A HA 0.815 5.135 4.320 0.000 0.000 0.293 280 A C -0.839 176.780 177.584 0.057 0.000 1.228 280 A CA -0.580 51.471 52.037 0.023 0.000 0.689 280 A CB 1.284 20.291 19.000 0.011 0.000 1.303 280 A HN 0.606 nan 8.150 nan 0.000 0.444 281 D N -0.746 119.689 120.400 0.058 0.000 2.414 281 D HA 0.470 5.110 4.640 0.000 0.000 0.251 281 D C 1.463 177.830 176.300 0.113 0.000 1.252 281 D CA 0.643 54.677 54.000 0.057 0.000 0.999 281 D CB 1.528 42.353 40.800 0.042 0.000 1.093 281 D HN 0.498 nan 8.370 nan 0.000 0.515 282 A N 0.170 123.030 122.820 0.067 0.000 1.897 282 A HA -0.136 4.184 4.320 0.000 0.000 0.215 282 A C 2.065 179.710 177.584 0.103 0.000 1.181 282 A CA 2.038 54.131 52.037 0.093 0.000 0.620 282 A CB -0.629 18.391 19.000 0.033 0.000 0.821 282 A HN 0.542 nan 8.150 nan 0.000 0.443 283 S N -1.972 113.763 115.700 0.058 0.000 2.481 283 S HA 0.326 4.796 4.470 0.000 0.000 0.231 283 S C 1.457 176.071 174.600 0.023 0.000 0.996 283 S CA 1.226 59.448 58.200 0.036 0.000 0.942 283 S CB -0.214 63.002 63.200 0.026 0.000 0.768 283 S HN 1.905 nan 8.310 nan 0.000 0.520 284 G N 0.517 109.335 108.800 0.030 0.000 2.163 284 G HA2 -0.164 3.796 3.960 0.000 0.000 0.213 284 G HA3 -0.164 3.796 3.960 0.000 0.000 0.213 284 G C -0.120 174.769 174.900 -0.019 0.000 0.991 284 G CA -0.296 44.799 45.100 -0.009 0.000 0.653 284 G HN 0.395 nan 8.290 nan 0.000 0.518 285 K N 0.778 121.182 120.400 0.006 0.000 2.322 285 K HA 0.403 4.723 4.320 0.000 0.000 0.283 285 K C 1.040 177.644 176.600 0.007 0.000 1.042 285 K CA -0.437 55.857 56.287 0.012 0.000 0.958 285 K CB 1.056 33.580 32.500 0.040 0.000 0.984 285 K HN 0.326 nan 8.250 nan 0.000 0.473 286 L N 4.612 125.828 121.223 -0.011 0.000 2.499 286 L HA -0.042 4.298 4.340 0.000 0.000 0.273 286 L C 1.606 178.465 176.870 -0.019 0.000 1.195 286 L CA 0.077 54.896 54.840 -0.035 0.000 0.882 286 L CB 0.179 42.197 42.059 -0.069 0.000 1.133 286 L HN 0.500 nan 8.230 nan 0.000 0.483 287 L N 2.929 124.136 121.223 -0.026 0.000 2.408 287 L HA 0.356 4.696 4.340 0.000 0.000 0.215 287 L C 0.871 177.714 176.870 -0.046 0.000 1.081 287 L CA 0.229 55.057 54.840 -0.021 0.000 0.840 287 L CB 0.135 42.187 42.059 -0.012 0.000 1.002 287 L HN 0.796 nan 8.230 nan 0.000 0.468 288 G N -0.395 108.368 108.800 -0.061 0.000 2.404 288 G HA2 0.559 4.519 3.960 0.000 0.000 0.298 288 G HA3 0.559 4.519 3.960 0.000 0.000 0.298 288 G C -2.092 172.753 174.900 -0.091 0.000 1.577 288 G CA 0.047 45.105 45.100 -0.070 0.000 0.847 288 G HN 0.035 nan 8.290 nan 0.000 0.598 289 A N 0.562 123.321 122.820 -0.102 0.000 2.398 289 A HA 0.781 5.101 4.320 0.000 0.000 0.301 289 A C -1.529 175.906 177.584 -0.248 0.000 1.041 289 A CA -0.504 51.404 52.037 -0.216 0.000 0.711 289 A CB 2.225 21.110 19.000 -0.191 0.000 1.240 289 A HN 0.832 nan 8.150 nan 0.000 0.420 290 D N 1.499 121.684 120.400 -0.359 0.000 2.425 290 D HA 0.646 5.286 4.640 0.000 0.000 0.240 290 D C -1.290 174.805 176.300 -0.342 0.000 1.080 290 D CA 0.038 53.900 54.000 -0.230 0.000 0.836 290 D CB 0.430 41.158 40.800 -0.119 0.000 1.125 290 D HN 0.236 nan 8.370 nan 0.000 0.525 291 F N 2.197 122.160 119.950 0.021 0.000 2.492 291 F HA 0.594 5.121 4.527 -0.000 0.000 0.327 291 F C -0.021 175.775 175.800 -0.007 0.000 1.079 291 F CA -0.999 57.023 58.000 0.037 0.000 0.967 291 F CB 2.079 41.056 39.000 -0.037 0.000 1.169 291 F HN 0.011 nan 8.300 nan 0.000 0.472 292 V N 2.063 122.151 119.914 0.290 0.000 2.443 292 V HA 0.282 4.402 4.120 0.000 0.000 0.293 292 V C -0.752 175.569 176.094 0.379 0.000 1.021 292 V CA -0.767 61.673 62.300 0.234 0.000 0.848 292 V CB 1.290 33.232 31.823 0.198 0.000 0.998 292 V HN 0.731 nan 8.190 nan 0.000 0.424 293 H N 5.393 124.629 119.070 0.277 0.000 2.517 293 H HA 0.600 5.156 4.556 -0.000 0.000 0.317 293 H C -0.727 174.740 175.328 0.232 0.000 1.080 293 H CA -0.724 55.513 56.048 0.315 0.000 1.301 293 H CB 1.574 31.564 29.762 0.380 0.000 1.425 293 H HN 0.427 nan 8.280 nan 0.000 0.471 294 L N 3.348 124.720 121.223 0.247 0.000 2.353 294 L HA 0.453 4.793 4.340 0.000 0.000 0.270 294 L C -0.126 176.590 176.870 -0.257 0.000 1.003 294 L CA -0.623 54.235 54.840 0.029 0.000 0.862 294 L CB 1.205 43.261 42.059 -0.004 0.000 1.221 294 L HN 0.615 nan 8.230 nan 0.000 0.430 295 A N 3.626 126.187 122.820 -0.432 0.000 2.306 295 A HA 0.623 4.943 4.320 0.000 0.000 0.314 295 A C -0.291 177.121 177.584 -0.286 0.000 1.164 295 A CA -0.578 51.007 52.037 -0.753 0.000 0.822 295 A CB 0.958 19.414 19.000 -0.907 0.000 1.130 295 A HN 0.653 nan 8.150 nan 0.000 0.496 296 R N 2.268 122.647 120.500 -0.202 0.000 2.198 296 R HA 0.344 4.684 4.340 0.000 0.000 0.339 296 R C -0.400 175.924 176.300 0.040 0.000 1.020 296 R CA -0.214 55.838 56.100 -0.080 0.000 0.864 296 R CB 0.688 30.924 30.300 -0.106 0.000 1.105 296 R HN 0.854 nan 8.270 nan 0.000 0.463 297 C N 2.284 121.648 119.300 0.108 0.000 2.791 297 C HA 0.380 4.840 4.460 0.000 0.000 0.288 297 C C 1.145 176.196 174.990 0.103 0.000 1.271 297 C CA 0.481 59.638 59.018 0.231 0.000 1.726 297 C CB -0.519 27.477 27.740 0.427 0.000 2.145 297 C HN 1.043 nan 8.230 nan 0.000 0.572 298 G N 0.744 109.594 108.800 0.084 0.000 2.610 298 G HA2 -0.190 3.770 3.960 0.000 0.000 0.304 298 G HA3 -0.190 3.770 3.960 0.000 0.000 0.304 298 G C 0.299 175.327 174.900 0.213 0.000 1.309 298 G CA 0.046 45.192 45.100 0.077 0.000 0.906 298 G HN 0.525 nan 8.290 nan 0.000 0.521 299 W N 0.414 121.719 121.300 0.009 0.000 2.519 299 W HA 0.359 5.019 4.660 0.000 0.000 0.266 299 W C 0.843 177.475 176.519 0.188 0.000 1.253 299 W CA 1.464 58.860 57.345 0.084 0.000 1.274 299 W CB -1.338 28.193 29.460 0.118 0.000 1.114 299 W HN 1.441 nan 8.180 nan 0.000 0.596 300 S N -1.004 114.379 115.700 -0.529 0.000 2.599 300 S HA 0.701 5.171 4.470 0.000 0.000 0.287 300 S C 0.822 175.062 174.600 -0.600 0.000 1.105 300 S CA -0.195 57.658 58.200 -0.578 0.000 0.899 300 S CB 2.080 64.558 63.200 -1.203 0.000 1.100 300 S HN 0.169 nan 8.310 nan 0.000 0.482 301 A N 1.682 123.998 122.820 -0.841 0.000 1.849 301 A HA 0.004 4.324 4.320 0.000 0.000 0.217 301 A C 1.204 178.469 177.584 -0.531 0.000 1.202 301 A CA 2.423 53.824 52.037 -1.060 0.000 0.629 301 A CB -1.977 16.592 19.000 -0.719 0.000 0.834 301 A HN 1.409 nan 8.150 nan 0.000 0.447 302 D N -2.462 117.736 120.400 -0.337 0.000 3.685 302 D HA -0.231 4.409 4.640 0.000 0.000 0.152 302 D C 0.176 176.429 176.300 -0.079 0.000 0.966 302 D CA 2.087 55.993 54.000 -0.155 0.000 1.085 302 D CB -1.228 39.506 40.800 -0.110 0.000 0.521 302 D HN 0.244 nan 8.370 nan 0.000 0.543 303 L N 0.597 121.828 121.223 0.013 0.000 2.928 303 L HA 0.347 4.687 4.340 0.000 0.000 0.246 303 L C 1.583 178.443 176.870 -0.018 0.000 1.239 303 L CA -0.082 54.809 54.840 0.085 0.000 1.035 303 L CB 0.323 42.541 42.059 0.264 0.000 1.360 303 L HN 0.156 nan 8.230 nan 0.000 0.529 304 S N 0.277 115.926 115.700 -0.086 0.000 2.383 304 S HA -0.152 4.318 4.470 0.000 0.000 0.227 304 S C 1.853 176.324 174.600 -0.214 0.000 1.026 304 S CA 1.113 59.190 58.200 -0.205 0.000 0.981 304 S CB -0.052 63.075 63.200 -0.120 0.000 0.818 304 S HN 0.495 nan 8.310 nan 0.000 0.472 305 L N 2.760 123.911 121.223 -0.120 0.000 1.970 305 L HA -0.074 4.266 4.340 0.000 0.000 0.212 305 L C -0.856 176.038 176.870 0.039 0.000 1.071 305 L CA 1.648 56.466 54.840 -0.037 0.000 0.751 305 L CB -1.127 40.923 42.059 -0.014 0.000 0.889 305 L HN 0.198 nan 8.230 nan 0.000 0.432 306 P HA -0.125 nan 4.420 nan 0.000 0.217 306 P C 1.988 179.426 177.300 0.229 0.000 1.150 306 P CA 1.345 64.623 63.100 0.296 0.000 0.832 306 P CB -0.059 31.941 31.700 0.500 0.000 0.787 307 V N 0.404 120.189 119.914 -0.215 0.000 2.287 307 V HA -0.257 3.863 4.120 0.000 0.000 0.248 307 V C 2.752 178.744 176.094 -0.169 0.000 1.053 307 V CA 2.200 64.148 62.300 -0.587 0.000 1.027 307 V CB -1.390 29.941 31.823 -0.820 0.000 0.646 307 V HN 0.181 nan 8.190 nan 0.000 0.447 308 C N -0.409 118.827 119.300 -0.107 0.000 2.468 308 C HA -0.045 4.415 4.460 0.000 0.000 0.277 308 C C 2.365 177.400 174.990 0.074 0.000 1.400 308 C CA 0.157 59.198 59.018 0.039 0.000 1.770 308 C CB -1.019 26.711 27.740 -0.016 0.000 1.905 308 C HN 0.592 nan 8.230 nan 0.000 0.519 309 D N 0.757 121.225 120.400 0.114 0.000 2.117 309 D HA -0.127 4.513 4.640 0.000 0.000 0.197 309 D C 2.308 178.782 176.300 0.289 0.000 0.987 309 D CA 1.023 55.167 54.000 0.240 0.000 0.829 309 D CB -0.415 40.639 40.800 0.422 0.000 0.961 309 D HN 0.471 nan 8.370 nan 0.000 0.460 310 R N 0.470 121.126 120.500 0.260 0.000 2.092 310 R HA -0.021 4.319 4.340 0.000 0.000 0.231 310 R C 2.087 178.560 176.300 0.288 0.000 1.119 310 R CA 1.182 57.463 56.100 0.301 0.000 0.970 310 R CB -0.084 30.397 30.300 0.303 0.000 0.864 310 R HN 0.088 nan 8.270 nan 0.000 0.440 311 A N 0.787 123.696 122.820 0.147 0.000 1.908 311 A HA -0.196 4.124 4.320 0.000 0.000 0.218 311 A C 2.163 179.894 177.584 0.243 0.000 1.181 311 A CA 1.616 53.690 52.037 0.061 0.000 0.627 311 A CB -0.408 18.531 19.000 -0.102 0.000 0.818 311 A HN 0.346 nan 8.150 nan 0.000 0.445 312 M N -1.312 118.446 119.600 0.263 0.000 2.156 312 M HA -0.067 4.413 4.480 0.000 0.000 0.264 312 M C 1.864 178.499 176.300 0.560 0.000 1.067 312 M CA 0.936 56.401 55.300 0.274 0.000 1.131 312 M CB -0.327 32.189 32.600 -0.140 0.000 1.368 312 M HN 0.305 nan 8.290 nan 0.000 0.416 313 L N -0.503 121.014 121.223 0.491 0.000 2.187 313 L HA -0.203 4.137 4.340 0.000 0.000 0.213 313 L C 1.613 178.624 176.870 0.235 0.000 1.100 313 L CA 2.016 56.983 54.840 0.212 0.000 0.765 313 L CB -1.184 40.813 42.059 -0.103 0.000 0.904 313 L HN 0.330 nan 8.230 nan 0.000 0.437 314 H N -2.330 116.908 119.070 0.280 0.000 2.594 314 H HA 0.368 4.924 4.556 0.000 0.000 0.279 314 H C 1.759 177.201 175.328 0.191 0.000 1.042 314 H CA 0.493 56.673 56.048 0.220 0.000 1.177 314 H CB 0.188 30.009 29.762 0.099 0.000 1.524 314 H HN 0.176 nan 8.280 nan 0.000 0.537 315 A N 0.819 123.798 122.820 0.266 0.000 2.239 315 A HA -0.113 4.207 4.320 0.000 0.000 0.209 315 A C 1.509 179.064 177.584 -0.048 0.000 1.171 315 A CA 1.276 53.284 52.037 -0.050 0.000 0.768 315 A CB -0.132 18.752 19.000 -0.194 0.000 0.790 315 A HN 0.527 nan 8.150 nan 0.000 0.478 316 D N -1.540 118.999 120.400 0.232 0.000 2.350 316 D HA 0.232 4.872 4.640 0.000 0.000 0.213 316 D C 1.265 177.746 176.300 0.301 0.000 1.031 316 D CA 0.931 55.109 54.000 0.296 0.000 0.861 316 D CB -0.579 40.504 40.800 0.471 0.000 0.926 316 D HN 0.496 nan 8.370 nan 0.000 0.520 317 G N 1.151 110.098 108.800 0.244 0.000 2.629 317 G HA2 -0.347 3.613 3.960 0.000 0.000 0.313 317 G HA3 -0.347 3.613 3.960 0.000 0.000 0.313 317 G C 0.723 175.647 174.900 0.039 0.000 1.217 317 G CA 0.824 46.029 45.100 0.175 0.000 0.994 317 G HN 0.361 nan 8.290 nan 0.000 0.549 318 S N 0.644 116.113 115.700 -0.385 0.000 2.568 318 S HA 0.467 4.937 4.470 0.000 0.000 0.232 318 S C -0.488 173.910 174.600 -0.337 0.000 0.975 318 S CA 0.104 58.113 58.200 -0.319 0.000 0.949 318 S CB 0.116 63.136 63.200 -0.299 0.000 0.829 318 S HN 0.450 nan 8.310 nan 0.000 0.479 319 Y N 0.199 120.559 120.300 0.100 0.000 2.393 319 Y HA 0.519 5.069 4.550 0.000 0.000 0.341 319 Y C -0.383 175.214 175.900 -0.505 0.000 0.988 319 Y CA -1.689 56.313 58.100 -0.164 0.000 1.078 319 Y CB 0.681 39.095 38.460 -0.076 0.000 1.203 319 Y HN 0.126 nan 8.280 nan 0.000 0.453 320 F N 3.817 123.339 119.950 -0.712 0.000 2.472 320 F HA 0.512 5.039 4.527 0.000 0.000 0.364 320 F C -0.833 174.878 175.800 -0.148 0.000 1.090 320 F CA -0.599 57.042 58.000 -0.599 0.000 1.188 320 F CB 0.267 38.996 39.000 -0.452 0.000 1.105 320 F HN 0.196 nan 8.300 nan 0.000 0.536 321 V N 9.351 128.823 119.914 -0.737 0.000 2.407 321 V HA 0.244 4.364 4.120 0.000 0.000 0.291 321 V C -1.814 173.838 176.094 -0.736 0.000 1.018 321 V CA -1.302 60.682 62.300 -0.527 0.000 0.842 321 V CB 1.477 33.203 31.823 -0.162 0.000 0.996 321 V HN 0.637 nan 8.190 nan 0.000 0.426 322 P HA 0.019 nan 4.420 nan 0.000 0.217 322 P C 0.327 177.535 177.300 -0.153 0.000 1.150 322 P CA 1.030 63.909 63.100 -0.368 0.000 0.832 322 P CB 0.400 32.051 31.700 -0.082 0.000 0.787 323 A N -0.148 122.605 122.820 -0.111 0.000 2.332 323 A HA 0.680 5.000 4.320 0.000 0.000 0.300 323 A C -1.266 176.301 177.584 -0.029 0.000 1.153 323 A CA -0.524 51.489 52.037 -0.040 0.000 0.764 323 A CB 0.315 19.302 19.000 -0.022 0.000 1.174 323 A HN 0.146 nan 8.150 nan 0.000 0.467 324 L N 2.694 123.928 121.223 0.018 0.000 2.516 324 L HA 0.640 4.980 4.340 0.000 0.000 0.267 324 L C -0.769 176.154 176.870 0.088 0.000 0.957 324 L CA -0.396 54.470 54.840 0.043 0.000 0.860 324 L CB 1.476 43.556 42.059 0.035 0.000 1.265 324 L HN 0.811 nan 8.230 nan 0.000 0.403 325 R N 5.547 126.098 120.500 0.086 0.000 2.476 325 R HA 0.688 5.028 4.340 0.000 0.000 0.305 325 R C -1.610 174.758 176.300 0.114 0.000 0.965 325 R CA -0.534 55.632 56.100 0.110 0.000 0.867 325 R CB 1.431 31.776 30.300 0.075 0.000 1.176 325 R HN 0.639 nan 8.270 nan 0.000 0.447 326 I N 2.236 122.870 120.570 0.107 0.000 2.493 326 I HA 0.359 4.529 4.170 0.000 0.000 0.298 326 I C -0.296 175.781 176.117 -0.067 0.000 0.998 326 I CA -0.612 60.687 61.300 -0.003 0.000 1.137 326 I CB 2.046 39.978 38.000 -0.113 0.000 1.310 326 I HN 0.534 nan 8.210 nan 0.000 0.445 327 E N 4.037 124.183 120.200 -0.091 0.000 2.220 327 E HA 0.367 4.717 4.350 0.000 0.000 0.256 327 E C -1.414 175.109 176.600 -0.128 0.000 0.881 327 E CA -0.356 55.976 56.400 -0.114 0.000 0.766 327 E CB 1.535 31.229 29.700 -0.011 0.000 1.187 327 E HN 0.554 nan 8.360 nan 0.000 0.419 328 S N 4.667 120.225 115.700 -0.236 0.000 2.498 328 S HA 0.291 4.761 4.470 0.000 0.000 0.324 328 S C -1.021 173.453 174.600 -0.210 0.000 1.071 328 S CA -0.658 57.474 58.200 -0.113 0.000 1.113 328 S CB 0.320 63.449 63.200 -0.118 0.000 0.976 328 S HN 0.527 nan 8.310 nan 0.000 0.462 329 H N 5.524 124.595 119.070 0.001 0.000 2.597 329 H HA 0.318 4.874 4.556 0.000 0.000 0.303 329 H C -0.007 175.290 175.328 -0.052 0.000 1.057 329 H CA -0.759 55.274 56.048 -0.024 0.000 1.261 329 H CB 0.670 30.418 29.762 -0.023 0.000 1.397 329 H HN 0.529 nan 8.280 nan 0.000 0.461 330 R N 4.177 124.709 120.500 0.054 0.000 2.287 330 R HA 0.294 4.634 4.340 0.000 0.000 0.327 330 R C -0.547 175.809 176.300 0.092 0.000 1.109 330 R CA -0.606 55.526 56.100 0.054 0.000 1.013 330 R CB 0.115 30.461 30.300 0.077 0.000 1.126 330 R HN 0.415 nan 8.270 nan 0.000 0.503 331 L N 2.712 123.948 121.223 0.020 0.000 2.292 331 L HA 0.452 4.792 4.340 0.000 0.000 0.284 331 L C 0.891 177.684 176.870 -0.128 0.000 1.065 331 L CA -0.630 54.168 54.840 -0.070 0.000 0.806 331 L CB 1.206 43.221 42.059 -0.073 0.000 1.175 331 L HN 0.368 nan 8.230 nan 0.000 0.431 332 R N 2.138 122.421 120.500 -0.362 0.000 2.298 332 R HA 0.404 4.744 4.340 0.000 0.000 0.310 332 R C -0.711 175.481 176.300 -0.180 0.000 1.068 332 R CA -0.184 55.652 56.100 -0.440 0.000 0.957 332 R CB 0.800 30.588 30.300 -0.853 0.000 1.003 332 R HN 0.803 nan 8.270 nan 0.000 0.454 333 T N 0.521 115.032 114.554 -0.072 0.000 2.907 333 T HA 0.249 4.599 4.350 0.000 0.000 0.292 333 T C 0.058 174.772 174.700 0.023 0.000 1.043 333 T CA -1.026 61.038 62.100 -0.060 0.000 1.003 333 T CB 1.484 70.276 68.868 -0.126 0.000 1.084 333 T HN 0.563 nan 8.240 nan 0.000 0.483 334 N N 1.462 120.171 118.700 0.015 0.000 2.683 334 N HA 0.217 4.957 4.740 0.000 0.000 0.256 334 N C 0.347 175.897 175.510 0.067 0.000 1.270 334 N CA -0.124 52.982 53.050 0.093 0.000 0.954 334 N CB 0.040 38.562 38.487 0.059 0.000 1.289 334 N HN 0.812 nan 8.380 nan 0.000 0.508 335 T N -3.754 110.800 114.554 0.000 0.000 2.841 335 T HA 0.373 4.723 4.350 0.000 0.000 0.276 335 T C 0.076 174.694 174.700 -0.137 0.000 1.003 335 T CA -1.006 61.051 62.100 -0.072 0.000 0.995 335 T CB 0.806 69.414 68.868 -0.432 0.000 1.260 335 T HN -0.175 nan 8.240 nan 0.000 0.581 336 Q N 1.346 121.031 119.800 -0.191 0.000 2.333 336 Q HA 0.266 4.606 4.340 0.000 0.000 0.299 336 Q C 0.191 176.096 176.000 -0.159 0.000 1.067 336 Q CA 0.368 55.914 55.803 -0.427 0.000 0.943 336 Q CB 0.281 28.988 28.738 -0.053 0.000 1.233 336 Q HN 0.691 nan 8.270 nan 0.000 0.401 337 S N 3.373 119.008 115.700 -0.109 0.000 2.437 337 S HA 0.085 4.555 4.470 0.000 0.000 0.304 337 S C -0.267 174.259 174.600 -0.125 0.000 1.167 337 S CA -0.672 57.453 58.200 -0.125 0.000 1.106 337 S CB -0.284 62.740 63.200 -0.293 0.000 1.099 337 S HN 0.444 nan 8.310 nan 0.000 0.524 338 N N 3.397 121.974 118.700 -0.204 0.000 2.458 338 N HA 0.132 4.872 4.740 0.000 0.000 0.258 338 N C 0.269 175.585 175.510 -0.322 0.000 1.219 338 N CA 0.353 53.169 53.050 -0.391 0.000 0.902 338 N CB 1.256 39.234 38.487 -0.847 0.000 1.076 338 N HN 0.602 nan 8.380 nan 0.000 0.455 339 T N -0.454 114.038 114.554 -0.103 0.000 2.724 339 T HA 0.672 5.022 4.350 0.000 0.000 0.274 339 T C -0.732 174.095 174.700 0.212 0.000 0.984 339 T CA -0.620 61.546 62.100 0.111 0.000 1.024 339 T CB 0.728 69.681 68.868 0.142 0.000 1.320 339 T HN 0.483 nan 8.240 nan 0.000 0.555 340 A N 0.999 123.987 122.820 0.280 0.000 2.531 340 A HA 0.551 4.871 4.320 0.000 0.000 0.236 340 A C -0.676 177.198 177.584 0.483 0.000 1.062 340 A CA 0.188 52.472 52.037 0.411 0.000 0.760 340 A CB -0.637 18.715 19.000 0.586 0.000 0.995 340 A HN 0.729 nan 8.150 nan 0.000 0.501 341 F N 1.171 121.275 119.950 0.258 0.000 2.622 341 F HA 0.376 4.903 4.527 -0.000 0.000 0.318 341 F C 0.437 176.175 175.800 -0.104 0.000 1.135 341 F CA -1.049 57.024 58.000 0.121 0.000 1.015 341 F CB 1.232 40.097 39.000 -0.226 0.000 1.275 341 F HN 0.767 nan 8.300 nan 0.000 0.457 342 R N 3.555 124.274 120.500 0.365 0.000 3.752 342 R HA 0.010 4.350 4.340 0.000 0.000 0.227 342 R C 0.919 176.948 176.300 -0.452 0.000 0.592 342 R CA 2.063 58.139 56.100 -0.039 0.000 0.981 342 R CB -0.641 29.636 30.300 -0.038 0.000 0.973 342 R HN 1.129 nan 8.270 nan 0.000 0.330 343 G N 3.606 112.279 108.800 -0.211 0.000 2.391 343 G HA2 -0.303 3.657 3.960 0.000 0.000 0.204 343 G HA3 -0.303 3.657 3.960 0.000 0.000 0.204 343 G C 0.275 175.265 174.900 0.150 0.000 1.012 343 G CA -0.091 44.906 45.100 -0.173 0.000 0.651 343 G HN 0.738 nan 8.290 nan 0.000 0.494 344 F N 0.824 120.744 119.950 -0.051 0.000 3.004 344 F HA 0.023 4.550 4.527 0.000 0.000 0.264 344 F C 1.817 177.624 175.800 0.010 0.000 0.979 344 F CA 2.671 60.691 58.000 0.033 0.000 0.896 344 F CB -0.977 38.067 39.000 0.074 0.000 0.813 344 F HN 2.021 nan 8.300 nan 0.000 0.804 345 G N -0.750 107.986 108.800 -0.107 0.000 2.241 345 G HA2 -0.272 3.688 3.960 0.000 0.000 0.244 345 G HA3 -0.272 3.688 3.960 0.000 0.000 0.244 345 G C 1.478 176.286 174.900 -0.153 0.000 0.998 345 G CA 0.706 45.715 45.100 -0.150 0.000 0.621 345 G HN 1.490 nan 8.290 nan 0.000 0.519 346 G N 1.598 110.346 108.800 -0.086 0.000 2.446 346 G HA2 0.050 4.010 3.960 0.000 0.000 0.217 346 G HA3 0.050 4.010 3.960 0.000 0.000 0.217 346 G C 0.135 175.016 174.900 -0.031 0.000 1.168 346 G CA 1.985 46.987 45.100 -0.163 0.000 0.771 346 G HN 0.547 nan 8.290 nan 0.000 0.551 347 P HA -0.060 nan 4.420 nan 0.000 0.217 347 P C 1.738 179.107 177.300 0.116 0.000 1.150 347 P CA 1.193 64.357 63.100 0.107 0.000 0.832 347 P CB 0.024 31.750 31.700 0.044 0.000 0.787 348 Q N -0.583 119.157 119.800 -0.099 0.000 2.020 348 Q HA -0.061 4.279 4.340 0.000 0.000 0.202 348 Q C 2.470 178.214 176.000 -0.427 0.000 0.982 348 Q CA 2.081 57.686 55.803 -0.329 0.000 0.838 348 Q CB -1.603 26.552 28.738 -0.971 0.000 0.899 348 Q HN 0.234 nan 8.270 nan 0.000 0.423 349 G N 0.057 108.616 108.800 -0.403 0.000 2.422 349 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 349 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 349 G C 1.437 176.292 174.900 -0.075 0.000 1.146 349 G CA 0.867 45.821 45.100 -0.244 0.000 0.769 349 G HN 0.435 nan 8.290 nan 0.000 0.547 350 A N 0.302 123.144 122.820 0.036 0.000 1.897 350 A HA 0.179 4.499 4.320 0.000 0.000 0.215 350 A C 2.292 179.949 177.584 0.121 0.000 1.181 350 A CA 1.376 53.486 52.037 0.121 0.000 0.620 350 A CB -0.394 18.717 19.000 0.185 0.000 0.821 350 A HN 0.388 nan 8.150 nan 0.000 0.443 351 L N 0.278 121.571 121.223 0.116 0.000 2.191 351 L HA -0.019 4.321 4.340 0.000 0.000 0.212 351 L C 2.303 179.312 176.870 0.232 0.000 1.103 351 L CA 1.845 56.776 54.840 0.152 0.000 0.769 351 L CB -0.753 41.375 42.059 0.116 0.000 0.908 351 L HN 0.319 nan 8.230 nan 0.000 0.438 352 G N -0.719 108.180 108.800 0.166 0.000 2.421 352 G HA2 -0.346 3.614 3.960 0.000 0.000 0.216 352 G HA3 -0.346 3.614 3.960 0.000 0.000 0.216 352 G C 1.530 176.565 174.900 0.225 0.000 1.171 352 G CA 1.023 46.272 45.100 0.249 0.000 0.775 352 G HN 0.392 nan 8.290 nan 0.000 0.543 353 M N 0.541 120.196 119.600 0.092 0.000 2.200 353 M HA 0.107 4.587 4.480 0.000 0.000 0.265 353 M C 2.202 178.603 176.300 0.168 0.000 1.066 353 M CA 1.132 56.582 55.300 0.251 0.000 1.127 353 M CB -0.278 32.475 32.600 0.255 0.000 1.379 353 M HN 0.096 nan 8.290 nan 0.000 0.420 354 E N -0.242 120.049 120.200 0.152 0.000 2.106 354 E HA -0.132 4.218 4.350 0.000 0.000 0.192 354 E C 2.238 178.826 176.600 -0.021 0.000 0.984 354 E CA 0.749 57.218 56.400 0.114 0.000 0.806 354 E CB -0.378 29.416 29.700 0.156 0.000 0.750 354 E HN 0.434 nan 8.360 nan 0.000 0.458 355 R N 0.549 120.977 120.500 -0.119 0.000 2.075 355 R HA 0.009 4.349 4.340 0.000 0.000 0.232 355 R C 2.193 178.257 176.300 -0.393 0.000 1.126 355 R CA 1.113 57.028 56.100 -0.308 0.000 0.963 355 R CB -0.568 29.303 30.300 -0.715 0.000 0.858 355 R HN 0.135 nan 8.270 nan 0.000 0.435 356 A N 1.146 123.607 122.820 -0.598 0.000 1.865 356 A HA -0.187 4.133 4.320 0.000 0.000 0.217 356 A C 2.285 179.729 177.584 -0.234 0.000 1.191 356 A CA 1.533 53.172 52.037 -0.663 0.000 0.623 356 A CB -0.718 18.043 19.000 -0.400 0.000 0.826 356 A HN 0.334 nan 8.150 nan 0.000 0.444 357 I N -0.914 119.554 120.570 -0.171 0.000 2.361 357 I HA -0.231 3.939 4.170 0.000 0.000 0.251 357 I C 2.413 178.465 176.117 -0.108 0.000 1.133 357 I CA 1.971 63.161 61.300 -0.183 0.000 1.413 357 I CB -0.052 37.742 38.000 -0.343 0.000 1.073 357 I HN 0.496 nan 8.210 nan 0.000 0.424 358 E N 0.077 120.241 120.200 -0.060 0.000 2.047 358 E HA -0.302 4.048 4.350 0.000 0.000 0.191 358 E C 2.256 178.913 176.600 0.095 0.000 0.987 358 E CA 1.433 57.844 56.400 0.019 0.000 0.799 358 E CB -0.267 29.422 29.700 -0.017 0.000 0.752 358 E HN 0.470 nan 8.360 nan 0.000 0.449 359 H N -0.039 118.992 119.070 -0.066 0.000 2.321 359 H HA -0.119 4.437 4.556 -0.000 0.000 0.300 359 H C 2.126 177.325 175.328 -0.215 0.000 1.087 359 H CA 1.682 57.534 56.048 -0.327 0.000 1.319 359 H CB -0.332 29.185 29.762 -0.408 0.000 1.379 359 H HN 0.277 nan 8.280 nan 0.000 0.501 360 L N 0.802 122.056 121.223 0.052 0.000 2.046 360 L HA -0.102 4.238 4.340 0.000 0.000 0.208 360 L C 2.706 179.544 176.870 -0.053 0.000 1.077 360 L CA 1.901 56.738 54.840 -0.006 0.000 0.747 360 L CB -0.878 41.145 42.059 -0.059 0.000 0.896 360 L HN 0.298 nan 8.230 nan 0.000 0.432 361 A N -0.517 122.272 122.820 -0.052 0.000 1.877 361 A HA -0.175 4.145 4.320 0.000 0.000 0.216 361 A C 2.304 179.865 177.584 -0.039 0.000 1.186 361 A CA 1.507 53.509 52.037 -0.058 0.000 0.620 361 A CB -0.495 18.485 19.000 -0.033 0.000 0.822 361 A HN 0.425 nan 8.150 nan 0.000 0.443 362 R N -0.535 119.970 120.500 0.009 0.000 2.096 362 R HA -0.102 4.238 4.340 0.000 0.000 0.235 362 R C 2.327 178.612 176.300 -0.026 0.000 1.127 362 R CA 1.261 57.377 56.100 0.026 0.000 0.968 362 R CB -1.356 29.025 30.300 0.134 0.000 0.861 362 R HN 0.527 nan 8.270 nan 0.000 0.440 363 G N 2.088 110.855 108.800 -0.055 0.000 2.442 363 G HA2 -0.249 3.711 3.960 0.000 0.000 0.219 363 G HA3 -0.249 3.711 3.960 0.000 0.000 0.219 363 G C 1.488 176.360 174.900 -0.046 0.000 1.141 363 G CA 1.016 46.094 45.100 -0.036 0.000 0.763 363 G HN 0.450 nan 8.290 nan 0.000 0.554 364 M N -1.100 118.421 119.600 -0.131 0.000 2.356 364 M HA 0.503 4.983 4.480 0.000 0.000 0.262 364 M C 1.271 177.477 176.300 -0.157 0.000 1.097 364 M CA 0.487 55.636 55.300 -0.251 0.000 0.991 364 M CB 0.534 32.709 32.600 -0.709 0.000 1.450 364 M HN 0.261 nan 8.290 nan 0.000 0.495 365 G N 2.451 111.198 108.800 -0.088 0.000 2.249 365 G HA2 -0.286 3.674 3.960 0.000 0.000 0.273 365 G HA3 -0.286 3.674 3.960 0.000 0.000 0.273 365 G C -0.147 174.721 174.900 -0.053 0.000 1.036 365 G CA 0.520 45.589 45.100 -0.053 0.000 0.824 365 G HN 0.669 nan 8.290 nan 0.000 0.504 366 R N -0.216 120.244 120.500 -0.067 0.000 2.664 366 R HA 0.431 4.771 4.340 0.000 0.000 0.286 366 R C -0.411 175.871 176.300 -0.029 0.000 0.967 366 R CA -0.771 55.298 56.100 -0.053 0.000 0.933 366 R CB 0.741 30.996 30.300 -0.075 0.000 1.146 366 R HN 0.145 nan 8.270 nan 0.000 0.468 367 D N 4.488 124.880 120.400 -0.012 0.000 2.451 367 D HA -0.011 4.629 4.640 0.000 0.000 0.254 367 D C -1.387 174.926 176.300 0.021 0.000 1.204 367 D CA -1.344 52.663 54.000 0.013 0.000 0.896 367 D CB 1.185 41.999 40.800 0.023 0.000 1.136 367 D HN 0.255 nan 8.370 nan 0.000 0.499 368 P HA -0.239 nan 4.420 nan 0.000 0.217 368 P C 0.994 178.313 177.300 0.033 0.000 1.148 368 P CA 1.476 64.590 63.100 0.024 0.000 0.828 368 P CB 0.017 31.752 31.700 0.059 0.000 0.783 369 A N 0.152 123.036 122.820 0.106 0.000 1.972 369 A HA -0.176 4.144 4.320 0.000 0.000 0.219 369 A C 2.188 179.813 177.584 0.067 0.000 1.169 369 A CA 1.446 53.564 52.037 0.136 0.000 0.635 369 A CB -0.735 18.461 19.000 0.326 0.000 0.810 369 A HN 0.088 nan 8.150 nan 0.000 0.446 370 E N -0.740 119.486 120.200 0.044 0.000 2.170 370 E HA -0.032 4.318 4.350 0.000 0.000 0.191 370 E C 1.866 178.435 176.600 -0.052 0.000 0.981 370 E CA 0.502 56.908 56.400 0.010 0.000 0.830 370 E CB -0.436 29.274 29.700 0.018 0.000 0.775 370 E HN 0.499 nan 8.360 nan 0.000 0.470 371 L N 1.170 122.346 121.223 -0.078 0.000 2.093 371 L HA -0.092 4.248 4.340 0.000 0.000 0.208 371 L C 2.276 179.009 176.870 -0.227 0.000 1.085 371 L CA 1.462 56.221 54.840 -0.136 0.000 0.755 371 L CB -0.074 41.901 42.059 -0.139 0.000 0.904 371 L HN -0.055 nan 8.230 nan 0.000 0.435 372 R N -1.100 119.254 120.500 -0.244 0.000 2.066 372 R HA -0.064 4.276 4.340 0.000 0.000 0.232 372 R C 2.259 178.120 176.300 -0.732 0.000 1.131 372 R CA 1.176 57.050 56.100 -0.377 0.000 0.955 372 R CB -0.607 29.597 30.300 -0.161 0.000 0.851 372 R HN 0.447 nan 8.270 nan 0.000 0.432 373 A N 1.289 123.844 122.820 -0.443 0.000 1.908 373 A HA -0.173 4.147 4.320 0.000 0.000 0.218 373 A C 2.065 179.564 177.584 -0.142 0.000 1.181 373 A CA 1.160 53.050 52.037 -0.244 0.000 0.627 373 A CB -0.503 18.526 19.000 0.048 0.000 0.818 373 A HN 0.234 nan 8.150 nan 0.000 0.445 374 L N -0.267 120.883 121.223 -0.121 0.000 2.353 374 L HA -0.048 4.292 4.340 0.000 0.000 0.220 374 L C 1.055 177.896 176.870 -0.049 0.000 1.133 374 L CA 1.513 56.321 54.840 -0.054 0.000 0.798 374 L CB -0.239 41.789 42.059 -0.052 0.000 0.922 374 L HN 0.369 nan 8.230 nan 0.000 0.445 375 N N -1.833 116.794 118.700 -0.122 0.000 2.200 375 N HA 0.130 4.870 4.740 0.000 0.000 0.224 375 N C -0.166 175.412 175.510 0.114 0.000 1.179 375 N CA -0.093 52.944 53.050 -0.022 0.000 0.877 375 N CB 0.379 38.801 38.487 -0.108 0.000 1.072 375 N HN 0.183 nan 8.380 nan 0.000 0.519 376 F N 0.692 120.738 119.950 0.160 0.000 2.490 376 F HA 0.089 4.616 4.527 0.000 0.000 0.336 376 F C 0.996 176.796 175.800 -0.001 0.000 1.178 376 F CA -0.632 57.405 58.000 0.061 0.000 1.301 376 F CB 0.387 39.401 39.000 0.023 0.000 1.175 376 F HN -0.012 nan 8.300 nan 0.000 0.593 377 Y N 1.122 121.576 120.300 0.256 0.000 2.578 377 Y HA -0.064 4.486 4.550 -0.000 0.000 0.339 377 Y C 0.674 176.591 175.900 0.028 0.000 1.231 377 Y CA -0.323 57.842 58.100 0.109 0.000 1.461 377 Y CB 0.060 38.545 38.460 0.040 0.000 1.323 377 Y HN 0.415 nan 8.280 nan 0.000 0.590 378 D N 3.964 124.450 120.400 0.143 0.000 2.423 378 D HA 0.094 4.734 4.640 0.000 0.000 0.238 378 D C -2.237 174.073 176.300 0.017 0.000 1.142 378 D CA -1.060 52.968 54.000 0.047 0.000 0.884 378 D CB 0.437 41.234 40.800 -0.005 0.000 1.199 378 D HN 0.240 nan 8.370 nan 0.000 0.438 379 P HA 0.186 nan 4.420 nan 0.000 0.272 379 P C -2.464 174.827 177.300 -0.014 0.000 1.230 379 P CA -0.984 62.094 63.100 -0.037 0.000 0.788 379 P CB -0.252 31.432 31.700 -0.028 0.000 0.949 380 P HA 0.089 nan 4.420 nan 0.000 0.265 380 P C -0.384 176.921 177.300 0.008 0.000 1.193 380 P CA 0.731 63.835 63.100 0.006 0.000 0.765 380 P CB 0.020 31.730 31.700 0.017 0.000 0.823 399 K N 1.341 121.743 120.400 0.002 0.000 6.900 399 K HA -0.116 4.205 4.320 0.000 0.000 0.714 399 K C -1.816 174.779 176.600 -0.009 0.000 2.527 399 K CA 1.071 57.358 56.287 0.001 0.000 1.868 399 K CB -0.959 31.542 32.500 0.001 0.000 2.325 399 K HN 0.560 nan 8.250 nan 0.000 0.231 400 T N 5.455 120.008 114.554 -0.001 0.000 2.829 400 T HA 0.297 4.647 4.350 0.000 0.000 0.280 400 T C -0.259 174.443 174.700 0.003 0.000 0.999 400 T CA -0.658 61.439 62.100 -0.005 0.000 0.983 400 T CB 1.207 70.079 68.868 0.008 0.000 0.968 400 T HN 0.454 nan 8.240 nan 0.000 0.446 401 Q N 1.781 121.571 119.800 -0.016 0.000 2.369 401 Q HA 0.302 4.642 4.340 0.000 0.000 0.295 401 Q C 0.562 176.641 176.000 0.131 0.000 1.075 401 Q CA 0.061 55.890 55.803 0.043 0.000 0.941 401 Q CB 0.316 29.059 28.738 0.008 0.000 1.260 401 Q HN 0.750 nan 8.270 nan 0.000 0.417 402 T N -2.148 112.543 114.554 0.228 0.000 2.912 402 T HA 0.487 4.837 4.350 0.000 0.000 0.288 402 T C 0.245 175.035 174.700 0.150 0.000 1.030 402 T CA -0.915 61.245 62.100 0.099 0.000 1.020 402 T CB 1.514 70.407 68.868 0.041 0.000 1.056 402 T HN 0.658 nan 8.240 nan 0.000 0.480 403 T N -0.600 113.855 114.554 -0.164 0.000 2.701 403 T HA 0.101 4.451 4.350 0.000 0.000 0.303 403 T C 1.598 176.154 174.700 -0.241 0.000 1.030 403 T CA -0.036 61.896 62.100 -0.280 0.000 1.010 403 T CB 0.025 68.267 68.868 -1.043 0.000 1.007 403 T HN 0.907 nan 8.240 nan 0.000 0.532 404 H N 0.148 119.182 119.070 -0.061 0.000 2.489 404 H HA -0.119 4.437 4.556 0.000 0.000 0.293 404 H C 1.468 176.844 175.328 0.080 0.000 1.066 404 H CA 1.607 57.691 56.048 0.060 0.000 1.305 404 H CB -0.855 29.016 29.762 0.183 0.000 1.386 404 H HN 0.936 nan 8.280 nan 0.000 0.551 405 Y N -0.637 119.451 120.300 -0.353 0.000 2.462 405 Y HA 0.470 5.020 4.550 0.000 0.000 0.293 405 Y C 1.554 177.375 175.900 -0.133 0.000 1.195 405 Y CA -0.343 57.600 58.100 -0.262 0.000 1.276 405 Y CB -0.085 38.148 38.460 -0.379 0.000 1.082 405 Y HN 0.245 nan 8.280 nan 0.000 0.514 406 G N 0.617 109.285 108.800 -0.221 0.000 2.147 406 G HA2 -0.318 3.642 3.960 0.000 0.000 0.244 406 G HA3 -0.318 3.642 3.960 0.000 0.000 0.244 406 G C -0.181 174.655 174.900 -0.108 0.000 1.005 406 G CA 0.237 45.275 45.100 -0.103 0.000 0.713 406 G HN 0.596 nan 8.290 nan 0.000 0.515 407 Q N 0.247 119.897 119.800 -0.249 0.000 2.290 407 Q HA 0.423 4.763 4.340 0.000 0.000 0.259 407 Q C 0.220 176.169 176.000 -0.084 0.000 0.941 407 Q CA -0.576 55.161 55.803 -0.109 0.000 0.912 407 Q CB 0.746 29.478 28.738 -0.010 0.000 1.244 407 Q HN 0.557 nan 8.270 nan 0.000 0.441 408 E N 1.612 121.810 120.200 -0.004 0.000 2.413 408 E HA 0.058 4.408 4.350 0.000 0.000 0.263 408 E C -0.860 175.760 176.600 0.034 0.000 1.015 408 E CA -0.019 56.386 56.400 0.008 0.000 0.916 408 E CB 1.002 30.719 29.700 0.029 0.000 0.947 408 E HN 0.324 nan 8.360 nan 0.000 0.440 409 V N 3.078 122.955 119.914 -0.062 0.000 2.240 409 V HA 0.235 4.355 4.120 0.000 0.000 0.265 409 V C 0.494 176.589 176.094 0.002 0.000 1.073 409 V CA -0.131 62.110 62.300 -0.099 0.000 0.857 409 V CB 0.722 32.170 31.823 -0.625 0.000 1.114 409 V HN 0.780 nan 8.190 nan 0.000 0.469 410 A N 2.878 125.753 122.820 0.092 0.000 2.423 410 A HA 0.245 4.565 4.320 0.000 0.000 0.246 410 A C 1.019 178.659 177.584 0.093 0.000 1.278 410 A CA 0.295 52.375 52.037 0.072 0.000 0.903 410 A CB -0.013 19.026 19.000 0.065 0.000 0.997 410 A HN 0.755 nan 8.150 nan 0.000 0.510 411 D N -2.038 118.454 120.400 0.153 0.000 2.563 411 D HA 0.057 4.697 4.640 0.000 0.000 0.237 411 D C -0.015 176.334 176.300 0.081 0.000 1.282 411 D CA -0.277 53.832 54.000 0.181 0.000 0.816 411 D CB -1.261 39.719 40.800 0.299 0.000 1.066 411 D HN 0.081 nan 8.370 nan 0.000 0.501 412 C N 2.302 121.543 119.300 -0.098 0.000 2.595 412 C HA 0.281 4.741 4.460 0.000 0.000 0.374 412 C C 1.860 176.497 174.990 -0.588 0.000 1.250 412 C CA -0.284 58.407 59.018 -0.546 0.000 1.595 412 C CB -1.168 26.417 27.740 -0.258 0.000 2.257 412 C HN 0.334 nan 8.230 nan 0.000 0.568 413 V N 5.227 124.603 119.914 -0.896 0.000 3.647 413 V HA 0.110 4.230 4.120 0.000 0.000 0.279 413 V C 1.717 177.339 176.094 -0.787 0.000 1.314 413 V CA 0.769 62.688 62.300 -0.636 0.000 1.125 413 V CB -0.836 30.663 31.823 -0.539 0.000 0.907 413 V HN 0.852 nan 8.190 nan 0.000 0.434 414 L N 1.549 122.224 121.223 -0.914 0.000 2.081 414 L HA -0.061 4.279 4.340 0.000 0.000 0.212 414 L C 2.776 179.142 176.870 -0.841 0.000 1.080 414 L CA 1.994 56.270 54.840 -0.940 0.000 0.754 414 L CB -1.028 40.337 42.059 -1.155 0.000 0.893 414 L HN 0.522 nan 8.230 nan 0.000 0.433 415 G N -0.564 107.892 108.800 -0.573 0.000 2.586 415 G HA2 -0.360 3.600 3.960 0.000 0.000 0.218 415 G HA3 -0.360 3.600 3.960 0.000 0.000 0.218 415 G C 1.440 176.230 174.900 -0.183 0.000 1.216 415 G CA 1.049 46.009 45.100 -0.233 0.000 0.786 415 G HN 0.439 nan 8.290 nan 0.000 0.583 416 E N -0.183 119.903 120.200 -0.190 0.000 2.106 416 E HA -0.029 4.321 4.350 0.000 0.000 0.192 416 E C 2.526 179.022 176.600 -0.173 0.000 0.984 416 E CA 0.576 56.928 56.400 -0.079 0.000 0.806 416 E CB -0.155 29.591 29.700 0.077 0.000 0.750 416 E HN 0.418 nan 8.360 nan 0.000 0.458 417 L N 0.372 121.255 121.223 -0.567 0.000 2.046 417 L HA -0.183 4.157 4.340 0.000 0.000 0.208 417 L C 2.316 179.006 176.870 -0.300 0.000 1.077 417 L CA 1.006 55.413 54.840 -0.722 0.000 0.747 417 L CB -0.112 41.276 42.059 -1.118 0.000 0.896 417 L HN 0.034 nan 8.230 nan 0.000 0.432 418 V N -0.326 119.421 119.914 -0.277 0.000 2.295 418 V HA -0.299 3.821 4.120 0.000 0.000 0.246 418 V C 2.524 178.590 176.094 -0.047 0.000 1.049 418 V CA 2.352 64.574 62.300 -0.130 0.000 1.024 418 V CB -0.880 30.921 31.823 -0.038 0.000 0.648 418 V HN 0.573 nan 8.190 nan 0.000 0.447 419 T N -0.398 114.147 114.554 -0.014 0.000 2.803 419 T HA -0.270 4.080 4.350 0.000 0.000 0.269 419 T C 1.984 176.715 174.700 0.052 0.000 1.052 419 T CA 1.827 63.950 62.100 0.037 0.000 1.136 419 T CB -0.265 68.634 68.868 0.052 0.000 0.864 419 T HN 0.407 nan 8.240 nan 0.000 0.467 420 R N 0.213 120.751 120.500 0.064 0.000 2.073 420 R HA 0.064 4.404 4.340 0.000 0.000 0.229 420 R C 2.360 178.706 176.300 0.076 0.000 1.120 420 R CA 0.746 56.911 56.100 0.109 0.000 0.967 420 R CB -0.357 30.082 30.300 0.231 0.000 0.862 420 R HN 0.294 nan 8.270 nan 0.000 0.436 421 L N 1.191 122.436 121.223 0.036 0.000 2.056 421 L HA -0.134 4.206 4.340 0.000 0.000 0.207 421 L C 2.039 178.904 176.870 -0.008 0.000 1.078 421 L CA 1.743 56.589 54.840 0.009 0.000 0.749 421 L CB -0.381 41.658 42.059 -0.033 0.000 0.901 421 L HN 0.223 nan 8.230 nan 0.000 0.433 422 Q N -0.467 119.314 119.800 -0.031 0.000 2.061 422 Q HA -0.266 4.074 4.340 0.000 0.000 0.204 422 Q C 2.282 178.349 176.000 0.112 0.000 0.984 422 Q CA 2.154 57.956 55.803 -0.002 0.000 0.846 422 Q CB -0.172 28.580 28.738 0.023 0.000 0.902 422 Q HN 0.492 nan 8.270 nan 0.000 0.421 423 K N 0.233 120.687 120.400 0.090 0.000 2.097 423 K HA -0.101 4.219 4.320 0.000 0.000 0.205 423 K C 2.357 179.003 176.600 0.077 0.000 1.050 423 K CA 1.498 57.839 56.287 0.090 0.000 0.938 423 K CB -0.014 32.531 32.500 0.075 0.000 0.718 423 K HN 0.182 nan 8.250 nan 0.000 0.442 424 S N 0.312 116.051 115.700 0.066 0.000 2.428 424 S HA -0.011 4.459 4.470 0.000 0.000 0.230 424 S C 2.048 176.683 174.600 0.058 0.000 1.014 424 S CA 0.743 58.977 58.200 0.057 0.000 0.957 424 S CB 0.046 63.279 63.200 0.054 0.000 0.784 424 S HN 0.246 nan 8.310 nan 0.000 0.499 425 A N 1.418 124.279 122.820 0.068 0.000 2.218 425 A HA 0.306 4.626 4.320 0.000 0.000 0.209 425 A C 1.026 178.674 177.584 0.108 0.000 1.168 425 A CA 0.481 52.564 52.037 0.077 0.000 0.804 425 A CB -0.857 18.183 19.000 0.068 0.000 0.834 425 A HN 0.655 nan 8.150 nan 0.000 0.482 426 N N -3.134 115.635 118.700 0.115 0.000 2.780 426 N HA -0.229 4.511 4.740 0.000 0.000 0.248 426 N C 0.071 175.670 175.510 0.148 0.000 1.102 426 N CA 0.906 54.019 53.050 0.105 0.000 0.697 426 N CB -2.256 36.267 38.487 0.061 0.000 1.028 426 N HN 0.368 nan 8.380 nan 0.000 0.554 427 F N 0.341 120.300 119.950 0.015 0.000 2.069 427 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 427 F C 2.274 178.081 175.800 0.012 0.000 1.113 427 F CA 2.333 60.342 58.000 0.015 0.000 1.214 427 F CB -0.853 38.163 39.000 0.026 0.000 0.978 427 F HN 0.289 nan 8.300 nan 0.000 0.474 428 T N -0.626 113.920 114.554 -0.013 0.000 2.708 428 T HA -0.167 4.183 4.350 0.000 0.000 0.266 428 T C 1.873 176.507 174.700 -0.111 0.000 1.037 428 T CA 2.148 64.176 62.100 -0.120 0.000 1.146 428 T CB -0.784 68.078 68.868 -0.011 0.000 0.865 428 T HN 0.313 nan 8.240 nan 0.000 0.435 429 T N 2.233 116.761 114.554 -0.043 0.000 2.708 429 T HA -0.074 4.276 4.350 0.000 0.000 0.266 429 T C 2.112 176.780 174.700 -0.053 0.000 1.037 429 T CA 0.863 62.943 62.100 -0.033 0.000 1.146 429 T CB -0.203 68.663 68.868 -0.004 0.000 0.865 429 T HN 0.297 nan 8.240 nan 0.000 0.435 430 R N 0.610 121.077 120.500 -0.056 0.000 2.091 430 R HA -0.006 4.334 4.340 0.000 0.000 0.238 430 R C 2.746 178.975 176.300 -0.118 0.000 1.136 430 R CA 1.279 57.339 56.100 -0.067 0.000 0.959 430 R CB -0.274 30.009 30.300 -0.029 0.000 0.856 430 R HN 0.301 nan 8.270 nan 0.000 0.437 431 R N 0.396 120.767 120.500 -0.216 0.000 2.096 431 R HA -0.089 4.251 4.340 0.000 0.000 0.235 431 R C 2.151 178.361 176.300 -0.150 0.000 1.127 431 R CA 1.471 57.415 56.100 -0.261 0.000 0.968 431 R CB -0.169 29.833 30.300 -0.496 0.000 0.861 431 R HN 0.214 nan 8.270 nan 0.000 0.440 432 A N 0.514 123.263 122.820 -0.119 0.000 1.898 432 A HA -0.151 4.169 4.320 0.000 0.000 0.216 432 A C 1.877 179.445 177.584 -0.027 0.000 1.181 432 A CA 1.470 53.468 52.037 -0.065 0.000 0.620 432 A CB -0.362 18.607 19.000 -0.052 0.000 0.819 432 A HN 0.444 nan 8.150 nan 0.000 0.442 433 E N -0.216 119.970 120.200 -0.024 0.000 2.051 433 E HA -0.163 4.187 4.350 0.000 0.000 0.192 433 E C 1.816 178.448 176.600 0.053 0.000 0.991 433 E CA 1.326 57.734 56.400 0.014 0.000 0.799 433 E CB -0.302 29.397 29.700 -0.003 0.000 0.748 433 E HN 0.682 nan 8.360 nan 0.000 0.449 434 I N 1.003 121.576 120.570 0.006 0.000 2.208 434 I HA -0.320 3.850 4.170 0.000 0.000 0.245 434 I C 2.474 178.653 176.117 0.104 0.000 1.097 434 I CA 0.990 62.311 61.300 0.034 0.000 1.363 434 I CB -0.303 37.667 38.000 -0.049 0.000 1.051 434 I HN 0.123 nan 8.210 nan 0.000 0.413 435 A N 0.705 123.550 122.820 0.041 0.000 1.883 435 A HA -0.239 4.081 4.320 0.000 0.000 0.217 435 A C 2.543 180.160 177.584 0.056 0.000 1.186 435 A CA 2.160 54.217 52.037 0.033 0.000 0.624 435 A CB -0.971 18.026 19.000 -0.005 0.000 0.822 435 A HN 0.446 nan 8.150 nan 0.000 0.444 436 A N -1.883 120.975 122.820 0.065 0.000 1.877 436 A HA -0.160 4.160 4.320 0.000 0.000 0.216 436 A C 2.021 179.659 177.584 0.089 0.000 1.186 436 A CA 1.531 53.603 52.037 0.058 0.000 0.620 436 A CB -0.983 18.049 19.000 0.053 0.000 0.822 436 A HN 0.830 nan 8.150 nan 0.000 0.443 437 W N 1.353 122.632 121.300 -0.034 0.000 2.338 437 W HA -0.217 4.443 4.660 0.000 0.000 0.304 437 W C 1.862 178.361 176.519 -0.034 0.000 1.212 437 W CA 2.056 59.382 57.345 -0.032 0.000 1.264 437 W CB -0.156 29.285 29.460 -0.031 0.000 1.142 437 W HN 0.366 nan 8.180 nan 0.000 0.512 438 N N 0.005 118.860 118.700 0.259 0.000 2.120 438 N HA -0.192 4.548 4.740 0.000 0.000 0.188 438 N C 1.901 177.374 175.510 -0.063 0.000 1.024 438 N CA 2.237 55.358 53.050 0.119 0.000 0.852 438 N CB -1.141 37.426 38.487 0.134 0.000 1.003 438 N HN 0.252 nan 8.380 nan 0.000 0.424 439 S N -1.176 114.492 115.700 -0.053 0.000 2.507 439 S HA -0.020 4.450 4.470 0.000 0.000 0.235 439 S C 1.652 176.174 174.600 -0.132 0.000 0.988 439 S CA 1.058 59.212 58.200 -0.077 0.000 0.944 439 S CB -0.434 62.737 63.200 -0.049 0.000 0.762 439 S HN 0.244 nan 8.310 nan 0.000 0.526 440 T N 1.724 116.148 114.554 -0.217 0.000 2.939 440 T HA 0.153 4.503 4.350 0.000 0.000 0.254 440 T C 0.467 174.971 174.700 -0.327 0.000 1.041 440 T CA 0.407 62.343 62.100 -0.273 0.000 1.142 440 T CB -0.387 68.271 68.868 -0.350 0.000 0.874 440 T HN 0.480 nan 8.240 nan 0.000 0.452 441 N N 1.217 119.636 118.700 -0.467 0.000 2.524 441 N HA 0.444 5.184 4.740 0.000 0.000 0.283 441 N C 0.936 176.314 175.510 -0.221 0.000 1.142 441 N CA -0.526 52.273 53.050 -0.417 0.000 0.984 441 N CB 1.081 39.154 38.487 -0.690 0.000 1.155 441 N HN 0.325 nan 8.380 nan 0.000 0.467 442 R N -0.992 119.417 120.500 -0.152 0.000 2.517 442 R HA 0.213 4.553 4.340 0.000 0.000 0.265 442 R C -0.014 176.249 176.300 -0.061 0.000 0.921 442 R CA 0.086 56.131 56.100 -0.091 0.000 1.054 442 R CB 0.075 30.328 30.300 -0.078 0.000 1.340 442 R HN 0.404 nan 8.270 nan 0.000 0.551 443 T N 0.688 115.206 114.554 -0.060 0.000 3.015 443 T HA 0.356 4.706 4.350 0.000 0.000 0.250 443 T C 0.419 175.121 174.700 0.002 0.000 1.057 443 T CA 0.191 62.273 62.100 -0.028 0.000 1.066 443 T CB 0.251 69.104 68.868 -0.025 0.000 0.959 443 T HN 0.003 nan 8.240 nan 0.000 0.488 444 L N 0.991 122.222 121.223 0.013 0.000 2.333 444 L HA 0.828 5.168 4.340 0.000 0.000 0.269 444 L C -0.703 176.286 176.870 0.198 0.000 1.010 444 L CA -1.220 53.700 54.840 0.133 0.000 0.818 444 L CB 1.821 44.051 42.059 0.284 0.000 1.306 444 L HN 0.024 nan 8.230 nan 0.000 0.430 445 A N 2.381 125.352 122.820 0.251 0.000 2.459 445 A HA 0.695 5.015 4.320 0.000 0.000 0.296 445 A C -1.088 176.585 177.584 0.149 0.000 1.039 445 A CA -0.694 51.480 52.037 0.228 0.000 0.698 445 A CB 1.498 20.540 19.000 0.070 0.000 1.261 445 A HN 0.710 nan 8.150 nan 0.000 0.405 446 R N 0.889 121.468 120.500 0.131 0.000 2.474 446 R HA 0.664 5.004 4.340 0.000 0.000 0.295 446 R C 0.014 176.282 176.300 -0.054 0.000 0.980 446 R CA -0.409 55.648 56.100 -0.072 0.000 0.934 446 R CB 2.279 32.403 30.300 -0.293 0.000 1.101 446 R HN 0.858 nan 8.270 nan 0.000 0.469 447 G N 2.139 110.892 108.800 -0.079 0.000 2.591 447 G HA2 0.611 4.571 3.960 0.000 0.000 0.306 447 G HA3 0.611 4.571 3.960 0.000 0.000 0.306 447 G C -1.381 173.495 174.900 -0.041 0.000 1.334 447 G CA -0.502 44.562 45.100 -0.061 0.000 0.981 447 G HN 0.505 nan 8.290 nan 0.000 0.491 448 I N 1.018 121.585 120.570 -0.006 0.000 2.608 448 I HA 0.806 4.976 4.170 0.000 0.000 0.295 448 I C -0.345 175.858 176.117 0.143 0.000 1.049 448 I CA -0.817 60.520 61.300 0.063 0.000 1.063 448 I CB 2.070 40.105 38.000 0.058 0.000 1.248 448 I HN 0.758 nan 8.210 nan 0.000 0.424 449 A N 6.333 129.268 122.820 0.193 0.000 2.594 449 A HA 0.735 5.055 4.320 0.000 0.000 0.295 449 A C -2.218 175.460 177.584 0.155 0.000 1.071 449 A CA -0.517 51.645 52.037 0.209 0.000 0.685 449 A CB 1.776 20.854 19.000 0.130 0.000 1.285 449 A HN 0.636 nan 8.150 nan 0.000 0.405 450 L N 1.135 122.419 121.223 0.103 0.000 2.333 450 L HA 0.822 5.162 4.340 0.000 0.000 0.280 450 L C -0.180 176.734 176.870 0.074 0.000 1.004 450 L CA 0.011 54.839 54.840 -0.020 0.000 0.820 450 L CB 1.769 43.680 42.059 -0.247 0.000 1.247 450 L HN 0.738 nan 8.230 nan 0.000 0.416 451 S N 6.411 122.166 115.700 0.093 0.000 2.482 451 S HA 0.872 5.342 4.470 0.000 0.000 0.303 451 S C -2.815 171.875 174.600 0.149 0.000 1.091 451 S CA -1.301 56.985 58.200 0.144 0.000 1.057 451 S CB 1.500 64.789 63.200 0.148 0.000 1.031 451 S HN 0.615 nan 8.310 nan 0.000 0.485 452 P HA 0.531 nan 4.420 nan 0.000 0.292 452 P C -1.435 175.951 177.300 0.144 0.000 1.300 452 P CA -0.744 62.456 63.100 0.166 0.000 0.900 452 P CB 1.450 33.325 31.700 0.292 0.000 1.139 453 V N 2.283 122.272 119.914 0.126 0.000 2.487 453 V HA 0.467 4.587 4.120 0.000 0.000 0.298 453 V C 0.053 176.228 176.094 0.136 0.000 1.028 453 V CA -0.437 61.954 62.300 0.152 0.000 0.860 453 V CB 1.730 33.663 31.823 0.183 0.000 0.991 453 V HN 0.551 nan 8.190 nan 0.000 0.427 454 K N 4.713 125.190 120.400 0.128 0.000 2.604 454 K HA 0.510 4.830 4.320 0.000 0.000 0.247 454 K C -2.068 174.609 176.600 0.129 0.000 0.956 454 K CA -0.441 55.840 56.287 -0.010 0.000 0.896 454 K CB 1.178 33.678 32.500 0.001 0.000 1.131 454 K HN 0.526 nan 8.250 nan 0.000 0.440 455 F N 2.545 122.441 119.950 -0.089 0.000 2.449 455 F HA 0.500 5.026 4.527 -0.000 0.000 0.342 455 F C 0.277 175.997 175.800 -0.133 0.000 1.127 455 F CA -0.422 57.589 58.000 0.018 0.000 0.975 455 F CB 1.659 40.631 39.000 -0.046 0.000 1.146 455 F HN 0.601 nan 8.300 nan 0.000 0.444 456 G N 6.575 114.919 108.800 -0.759 0.000 2.403 456 G HA2 0.437 4.397 3.960 0.000 0.000 0.259 456 G HA3 0.437 4.397 3.960 0.000 0.000 0.259 456 G C -0.791 173.204 174.900 -1.509 0.000 1.244 456 G CA -0.458 43.608 45.100 -1.724 0.000 0.849 456 G HN 0.495 nan 8.290 nan 0.000 0.532 457 I N 1.088 121.023 120.570 -1.059 0.000 2.378 457 I HA 0.603 4.773 4.170 0.000 0.000 0.291 457 I C 0.279 176.199 176.117 -0.328 0.000 0.992 457 I CA -0.283 60.623 61.300 -0.657 0.000 1.154 457 I CB 0.571 38.002 38.000 -0.948 0.000 1.315 457 I HN 0.535 nan 8.210 nan 0.000 0.448 458 S N 4.133 119.709 115.700 -0.206 0.000 2.779 458 S HA 0.108 4.578 4.470 0.000 0.000 0.257 458 S C -0.802 173.696 174.600 -0.170 0.000 0.634 458 S CA -0.922 57.199 58.200 -0.133 0.000 1.183 458 S CB -0.081 63.099 63.200 -0.034 0.000 1.457 458 S HN 0.340 nan 8.310 nan 0.000 0.535 459 F N 2.277 122.174 119.950 -0.088 0.000 2.484 459 F HA 0.202 4.729 4.527 -0.000 0.000 0.360 459 F C 2.292 178.016 175.800 -0.127 0.000 1.101 459 F CA 0.751 58.677 58.000 -0.123 0.000 1.251 459 F CB 0.845 39.752 39.000 -0.154 0.000 1.132 459 F HN 0.831 nan 8.300 nan 0.000 0.570 460 T N 0.446 115.047 114.554 0.080 0.000 2.857 460 T HA -0.067 4.283 4.350 0.000 0.000 0.266 460 T C 0.971 175.839 174.700 0.280 0.000 1.048 460 T CA 0.371 62.489 62.100 0.030 0.000 1.139 460 T CB -0.052 68.873 68.868 0.095 0.000 0.874 460 T HN 0.252 nan 8.240 nan 0.000 0.455 461 L N 3.538 124.880 121.223 0.198 0.000 2.536 461 L HA 0.222 4.562 4.340 0.000 0.000 0.282 461 L C 1.312 178.174 176.870 -0.013 0.000 1.174 461 L CA 0.587 55.479 54.840 0.087 0.000 0.989 461 L CB -0.675 41.357 42.059 -0.044 0.000 1.311 461 L HN 0.386 nan 8.230 nan 0.000 0.455 462 T N 2.392 117.001 114.554 0.093 0.000 2.665 462 T HA -0.219 4.131 4.350 0.000 0.000 0.268 462 T C 1.715 176.421 174.700 0.010 0.000 1.035 462 T CA 1.962 64.108 62.100 0.076 0.000 1.151 462 T CB -0.282 68.662 68.868 0.127 0.000 0.862 462 T HN 0.704 nan 8.240 nan 0.000 0.438 463 H N 1.200 120.275 119.070 0.007 0.000 2.543 463 H HA 0.097 4.653 4.556 -0.000 0.000 0.286 463 H C 1.793 177.087 175.328 -0.057 0.000 1.037 463 H CA 0.624 56.663 56.048 -0.015 0.000 1.250 463 H CB -0.639 29.114 29.762 -0.014 0.000 1.373 463 H HN 0.353 nan 8.280 nan 0.000 0.580 464 L N 0.749 121.641 121.223 -0.553 0.000 2.554 464 L HA -0.007 4.333 4.340 0.000 0.000 0.226 464 L C 0.858 177.542 176.870 -0.310 0.000 1.137 464 L CA 0.085 54.575 54.840 -0.584 0.000 0.863 464 L CB -0.238 41.194 42.059 -1.046 0.000 0.985 464 L HN 0.185 nan 8.230 nan 0.000 0.451 465 N N 2.554 121.216 118.700 -0.064 0.000 3.210 465 N HA 0.018 4.758 4.740 0.000 0.000 0.314 465 N C -0.329 175.149 175.510 -0.053 0.000 1.291 465 N CA 0.212 53.304 53.050 0.070 0.000 1.202 465 N CB 0.139 38.668 38.487 0.070 0.000 1.475 465 N HN 0.565 nan 8.380 nan 0.000 0.554 466 Q N -0.854 118.902 119.800 -0.074 0.000 2.456 466 Q HA 0.853 5.193 4.340 0.000 0.000 0.283 466 Q C -1.621 174.273 176.000 -0.176 0.000 1.084 466 Q CA -1.232 54.446 55.803 -0.208 0.000 0.801 466 Q CB 2.314 31.019 28.738 -0.054 0.000 1.434 466 Q HN 0.046 nan 8.270 nan 0.000 0.419 467 A N 0.263 122.858 122.820 -0.374 0.000 2.606 467 A HA 0.945 5.265 4.320 0.000 0.000 0.293 467 A C -1.060 176.413 177.584 -0.185 0.000 1.082 467 A CA -0.188 51.759 52.037 -0.150 0.000 0.685 467 A CB 1.936 20.933 19.000 -0.005 0.000 1.284 467 A HN 0.986 nan 8.150 nan 0.000 0.408 468 G N -1.027 107.802 108.800 0.048 0.000 2.660 468 G HA2 0.899 4.859 3.960 0.000 0.000 0.294 468 G HA3 0.899 4.859 3.960 0.000 0.000 0.294 468 G C -0.792 174.198 174.900 0.149 0.000 1.369 468 G CA 0.140 45.331 45.100 0.153 0.000 0.912 468 G HN 2.015 nan 8.290 nan 0.000 0.479 469 A N -0.277 122.631 122.820 0.146 0.000 2.556 469 A HA 0.840 5.160 4.320 0.000 0.000 0.294 469 A C -1.912 175.730 177.584 0.097 0.000 1.091 469 A CA -0.653 51.462 52.037 0.131 0.000 0.704 469 A CB 2.135 21.206 19.000 0.118 0.000 1.300 469 A HN 1.737 nan 8.150 nan 0.000 0.406 470 L N 1.438 122.706 121.223 0.075 0.000 2.441 470 L HA 0.719 5.059 4.340 0.000 0.000 0.270 470 L C -1.600 175.283 176.870 0.021 0.000 0.973 470 L CA -0.276 54.590 54.840 0.044 0.000 0.842 470 L CB 1.896 43.977 42.059 0.037 0.000 1.239 470 L HN 0.487 nan 8.230 nan 0.000 0.406 471 V N 4.622 124.536 119.914 0.000 0.000 2.448 471 V HA 0.610 4.730 4.120 0.000 0.000 0.295 471 V C -0.681 175.367 176.094 -0.076 0.000 1.025 471 V CA -0.597 61.688 62.300 -0.026 0.000 0.859 471 V CB 1.577 33.391 31.823 -0.015 0.000 0.988 471 V HN 0.706 nan 8.190 nan 0.000 0.431 472 Q N 4.917 124.633 119.800 -0.140 0.000 2.333 472 Q HA 0.640 4.981 4.340 0.000 0.000 0.267 472 Q C -1.022 174.746 176.000 -0.387 0.000 1.012 472 Q CA -0.417 55.203 55.803 -0.305 0.000 0.824 472 Q CB 3.021 31.485 28.738 -0.456 0.000 1.290 472 Q HN 0.704 nan 8.270 nan 0.000 0.449 473 I N 2.775 123.139 120.570 -0.343 0.000 2.355 473 I HA 0.316 4.486 4.170 0.000 0.000 0.288 473 I C -0.541 175.393 176.117 -0.305 0.000 0.999 473 I CA -0.877 60.286 61.300 -0.229 0.000 1.163 473 I CB 0.595 38.582 38.000 -0.022 0.000 1.316 473 I HN 0.459 nan 8.210 nan 0.000 0.454 474 Y N 2.963 123.265 120.300 0.004 0.000 2.300 474 Y HA 0.085 4.635 4.550 0.000 0.000 0.328 474 Y C 2.070 177.926 175.900 -0.073 0.000 1.270 474 Y CA -0.400 57.673 58.100 -0.045 0.000 1.352 474 Y CB 0.906 39.342 38.460 -0.042 0.000 1.286 474 Y HN 0.656 nan 8.280 nan 0.000 0.536 475 T N -3.157 111.407 114.554 0.016 0.000 2.946 475 T HA -0.213 4.137 4.350 0.000 0.000 0.271 475 T C 1.012 175.684 174.700 -0.047 0.000 1.104 475 T CA 1.432 63.460 62.100 -0.119 0.000 1.114 475 T CB -0.297 68.365 68.868 -0.344 0.000 0.867 475 T HN 0.797 nan 8.240 nan 0.000 0.513 476 D N 0.989 121.398 120.400 0.014 0.000 2.355 476 D HA 0.176 4.816 4.640 0.000 0.000 0.218 476 D C 1.711 178.059 176.300 0.080 0.000 1.004 476 D CA 0.760 54.779 54.000 0.033 0.000 0.880 476 D CB -0.599 40.217 40.800 0.027 0.000 0.911 476 D HN 0.608 nan 8.370 nan 0.000 0.528 477 G N 0.364 109.230 108.800 0.110 0.000 2.213 477 G HA2 -0.261 3.699 3.960 0.000 0.000 0.226 477 G HA3 -0.261 3.699 3.960 0.000 0.000 0.226 477 G C 0.360 175.420 174.900 0.266 0.000 0.992 477 G CA 0.295 45.519 45.100 0.207 0.000 0.632 477 G HN 0.781 nan 8.290 nan 0.000 0.511 478 S N -0.285 115.532 115.700 0.195 0.000 2.576 478 S HA 0.684 5.154 4.470 0.000 0.000 0.276 478 S C 0.072 174.791 174.600 0.198 0.000 1.339 478 S CA -0.019 58.289 58.200 0.179 0.000 1.039 478 S CB 2.433 65.725 63.200 0.152 0.000 0.902 478 S HN 1.114 nan 8.310 nan 0.000 0.516 479 V N 1.584 121.579 119.914 0.134 0.000 2.604 479 V HA 0.780 4.900 4.120 0.000 0.000 0.305 479 V C 0.203 176.342 176.094 0.075 0.000 1.043 479 V CA -0.737 61.603 62.300 0.066 0.000 0.888 479 V CB 1.481 33.323 31.823 0.031 0.000 0.995 479 V HN 1.208 nan 8.190 nan 0.000 0.429 480 A N 4.469 127.312 122.820 0.038 0.000 2.303 480 A HA 0.859 5.179 4.320 0.000 0.000 0.320 480 A C -1.094 176.495 177.584 0.009 0.000 1.192 480 A CA -0.449 51.629 52.037 0.069 0.000 0.821 480 A CB 1.076 20.189 19.000 0.187 0.000 1.188 480 A HN 0.844 nan 8.150 nan 0.000 0.492 481 L N 3.007 124.235 121.223 0.009 0.000 2.333 481 L HA 0.560 4.900 4.340 0.000 0.000 0.280 481 L C -0.621 176.263 176.870 0.024 0.000 1.004 481 L CA -0.204 54.645 54.840 0.015 0.000 0.820 481 L CB 1.355 43.422 42.059 0.013 0.000 1.247 481 L HN 0.752 nan 8.230 nan 0.000 0.416 482 N N 2.859 121.588 118.700 0.049 0.000 2.295 482 N HA 0.449 5.189 4.740 0.000 0.000 0.293 482 N C -1.590 173.988 175.510 0.113 0.000 1.040 482 N CA -0.363 52.708 53.050 0.035 0.000 0.840 482 N CB 1.482 39.972 38.487 0.005 0.000 1.468 482 N HN 0.964 nan 8.380 nan 0.000 0.478 483 H N -0.681 118.404 119.070 0.026 0.000 2.960 483 H HA 0.487 5.043 4.556 0.000 0.000 0.338 483 H C 0.901 176.273 175.328 0.074 0.000 1.261 483 H CA -0.755 55.325 56.048 0.053 0.000 1.136 483 H CB 0.695 30.491 29.762 0.057 0.000 1.875 483 H HN 0.385 nan 8.280 nan 0.000 0.550 484 G N -0.161 108.710 108.800 0.117 0.000 2.443 484 G HA2 0.082 4.042 3.960 0.000 0.000 0.219 484 G HA3 0.082 4.042 3.960 0.000 0.000 0.219 484 G C 0.779 175.697 174.900 0.030 0.000 1.131 484 G CA 0.200 45.337 45.100 0.062 0.000 0.775 484 G HN 0.875 nan 8.290 nan 0.000 0.547 485 G N 0.087 108.965 108.800 0.130 0.000 2.483 485 G HA2 0.428 4.388 3.960 0.000 0.000 0.248 485 G HA3 0.428 4.388 3.960 0.000 0.000 0.248 485 G C 0.141 175.038 174.900 -0.004 0.000 1.248 485 G CA 0.445 45.631 45.100 0.144 0.000 0.838 485 G HN 0.409 nan 8.290 nan 0.000 0.566 486 T N -1.105 113.448 114.554 -0.002 0.000 2.859 486 T HA 0.513 4.863 4.350 0.000 0.000 0.281 486 T C -0.291 174.329 174.700 -0.134 0.000 1.005 486 T CA -0.813 61.261 62.100 -0.045 0.000 1.025 486 T CB 2.180 71.034 68.868 -0.023 0.000 0.977 486 T HN 0.460 nan 8.240 nan 0.000 0.458 487 E N 3.127 123.192 120.200 -0.226 0.000 2.152 487 E HA 0.339 4.689 4.350 0.000 0.000 0.285 487 E C 0.608 177.161 176.600 -0.078 0.000 1.043 487 E CA -0.593 55.651 56.400 -0.260 0.000 0.839 487 E CB 0.612 30.071 29.700 -0.403 0.000 1.069 487 E HN 0.788 nan 8.360 nan 0.000 0.399 488 M N 2.338 121.887 119.600 -0.086 0.000 2.300 488 M HA 0.475 4.955 4.480 0.000 0.000 0.313 488 M C 0.816 177.044 176.300 -0.121 0.000 0.988 488 M CA 0.323 55.556 55.300 -0.113 0.000 1.012 488 M CB 0.905 33.382 32.600 -0.205 0.000 1.586 488 M HN 0.561 nan 8.290 nan 0.000 0.562 489 G N 1.650 110.433 108.800 -0.029 0.000 2.367 489 G HA2 -0.230 3.730 3.960 0.000 0.000 0.181 489 G HA3 -0.230 3.730 3.960 0.000 0.000 0.181 489 G C 0.833 175.757 174.900 0.040 0.000 1.000 489 G CA 0.246 45.333 45.100 -0.021 0.000 0.693 489 G HN 0.557 nan 8.290 nan 0.000 0.480 490 Q N 1.686 121.494 119.800 0.014 0.000 2.541 490 Q HA 0.265 4.605 4.340 0.000 0.000 0.215 490 Q C 1.570 177.622 176.000 0.087 0.000 0.977 490 Q CA 1.544 57.364 55.803 0.029 0.000 0.934 490 Q CB -0.522 28.206 28.738 -0.018 0.000 0.988 490 Q HN 1.911 nan 8.270 nan 0.000 0.521 491 G N 1.650 110.557 108.800 0.178 0.000 2.182 491 G HA2 -0.283 3.677 3.960 0.000 0.000 0.248 491 G HA3 -0.283 3.677 3.960 0.000 0.000 0.248 491 G C 0.290 175.194 174.900 0.007 0.000 1.042 491 G CA 0.359 45.553 45.100 0.157 0.000 0.775 491 G HN 0.408 nan 8.290 nan 0.000 0.501 492 L N -0.066 121.139 121.223 -0.029 0.000 2.017 492 L HA 0.072 4.412 4.340 0.000 0.000 0.208 492 L C 2.492 179.369 176.870 0.012 0.000 1.073 492 L CA 2.797 57.614 54.840 -0.039 0.000 0.745 492 L CB -0.530 41.495 42.059 -0.057 0.000 0.894 492 L HN 0.391 nan 8.230 nan 0.000 0.432 493 H N -0.211 118.863 119.070 0.007 0.000 2.387 493 H HA 0.044 4.599 4.556 -0.000 0.000 0.299 493 H C 2.188 177.460 175.328 -0.094 0.000 1.090 493 H CA 1.129 57.177 56.048 0.001 0.000 1.332 493 H CB -0.662 29.097 29.762 -0.006 0.000 1.386 493 H HN 0.496 nan 8.280 nan 0.000 0.516 494 A N 1.411 124.206 122.820 -0.042 0.000 1.877 494 A HA -0.195 4.125 4.320 0.000 0.000 0.216 494 A C 2.340 179.890 177.584 -0.057 0.000 1.186 494 A CA 1.757 53.745 52.037 -0.082 0.000 0.620 494 A CB -0.294 18.636 19.000 -0.117 0.000 0.822 494 A HN 0.353 nan 8.150 nan 0.000 0.443 495 K N -1.071 119.299 120.400 -0.049 0.000 2.057 495 K HA -0.093 4.227 4.320 0.000 0.000 0.207 495 K C 2.082 178.637 176.600 -0.076 0.000 1.049 495 K CA 1.475 57.727 56.287 -0.059 0.000 0.931 495 K CB -0.271 32.203 32.500 -0.044 0.000 0.714 495 K HN 0.347 nan 8.250 nan 0.000 0.440 496 M N 0.567 120.113 119.600 -0.090 0.000 2.117 496 M HA -0.122 4.358 4.480 0.000 0.000 0.262 496 M C 2.328 178.576 176.300 -0.087 0.000 1.065 496 M CA 1.304 56.518 55.300 -0.143 0.000 1.114 496 M CB -0.820 31.594 32.600 -0.310 0.000 1.361 496 M HN -0.061 nan 8.290 nan 0.000 0.408 497 V N 0.427 120.306 119.914 -0.059 0.000 2.295 497 V HA -0.293 3.827 4.120 0.000 0.000 0.246 497 V C 2.448 178.500 176.094 -0.071 0.000 1.049 497 V CA 1.708 63.975 62.300 -0.056 0.000 1.024 497 V CB -0.770 31.022 31.823 -0.051 0.000 0.648 497 V HN 0.518 nan 8.190 nan 0.000 0.447 498 Q N -0.720 119.030 119.800 -0.084 0.000 2.096 498 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 498 Q C 2.338 178.257 176.000 -0.134 0.000 0.982 498 Q CA 1.938 57.673 55.803 -0.114 0.000 0.850 498 Q CB -0.335 28.326 28.738 -0.129 0.000 0.901 498 Q HN 0.546 nan 8.270 nan 0.000 0.422 499 V N 0.857 120.712 119.914 -0.098 0.000 2.295 499 V HA -0.306 3.814 4.120 0.000 0.000 0.246 499 V C 2.269 178.370 176.094 0.011 0.000 1.049 499 V CA 1.863 64.153 62.300 -0.017 0.000 1.024 499 V CB -1.035 30.827 31.823 0.065 0.000 0.648 499 V HN 0.426 nan 8.190 nan 0.000 0.447 500 A N 0.065 122.870 122.820 -0.026 0.000 1.865 500 A HA -0.193 4.127 4.320 0.000 0.000 0.217 500 A C 2.453 180.001 177.584 -0.059 0.000 1.191 500 A CA 2.464 54.480 52.037 -0.034 0.000 0.623 500 A CB -1.012 17.963 19.000 -0.041 0.000 0.826 500 A HN 0.593 nan 8.150 nan 0.000 0.444 501 A N -0.246 122.527 122.820 -0.078 0.000 1.883 501 A HA 0.096 4.416 4.320 0.000 0.000 0.217 501 A C 2.553 180.080 177.584 -0.095 0.000 1.186 501 A CA 2.506 54.481 52.037 -0.103 0.000 0.624 501 A CB -1.176 17.765 19.000 -0.098 0.000 0.822 501 A HN 1.165 nan 8.150 nan 0.000 0.444 502 A N -0.628 122.141 122.820 -0.085 0.000 1.883 502 A HA -0.048 4.272 4.320 0.000 0.000 0.217 502 A C 2.237 179.833 177.584 0.019 0.000 1.186 502 A CA 2.000 53.999 52.037 -0.064 0.000 0.624 502 A CB -1.055 17.842 19.000 -0.172 0.000 0.822 502 A HN 0.477 nan 8.150 nan 0.000 0.444 503 V N 0.022 119.968 119.914 0.054 0.000 2.427 503 V HA -0.197 3.923 4.120 0.000 0.000 0.248 503 V C 2.385 178.456 176.094 -0.039 0.000 1.051 503 V CA 1.728 64.058 62.300 0.051 0.000 1.048 503 V CB -0.671 31.183 31.823 0.051 0.000 0.666 503 V HN 0.543 nan 8.190 nan 0.000 0.456 504 L N 0.211 121.380 121.223 -0.090 0.000 2.418 504 L HA 0.235 4.575 4.340 0.000 0.000 0.218 504 L C 1.692 178.470 176.870 -0.154 0.000 1.125 504 L CA 0.904 55.638 54.840 -0.177 0.000 0.835 504 L CB -0.603 41.316 42.059 -0.234 0.000 0.953 504 L HN 0.576 nan 8.230 nan 0.000 0.454 505 G N 1.775 110.530 108.800 -0.076 0.000 2.182 505 G HA2 -0.265 3.695 3.960 0.000 0.000 0.248 505 G HA3 -0.265 3.695 3.960 0.000 0.000 0.248 505 G C 0.067 174.912 174.900 -0.091 0.000 1.042 505 G CA 0.566 45.666 45.100 0.001 0.000 0.775 505 G HN 0.477 nan 8.290 nan 0.000 0.501 506 I N -3.995 116.458 120.570 -0.194 0.000 3.067 506 I HA 0.802 4.972 4.170 0.000 0.000 0.312 506 I C -0.309 175.730 176.117 -0.130 0.000 1.073 506 I CA -1.631 59.530 61.300 -0.230 0.000 1.016 506 I CB 1.673 39.404 38.000 -0.449 0.000 1.227 506 I HN -0.073 nan 8.210 nan 0.000 0.456 507 D N 3.458 123.801 120.400 -0.095 0.000 2.390 507 D HA 0.227 4.867 4.640 0.000 0.000 0.249 507 D C -1.605 174.655 176.300 -0.066 0.000 1.144 507 D CA -2.263 51.700 54.000 -0.062 0.000 0.880 507 D CB 1.396 42.176 40.800 -0.034 0.000 1.182 507 D HN 0.333 nan 8.370 nan 0.000 0.451 508 P HA -0.130 nan 4.420 nan 0.000 0.226 508 P C 1.320 178.594 177.300 -0.043 0.000 1.146 508 P CA 0.462 63.526 63.100 -0.059 0.000 0.773 508 P CB 0.288 31.952 31.700 -0.061 0.000 0.772 509 V N 0.280 120.174 119.914 -0.033 0.000 2.427 509 V HA -0.193 3.927 4.120 0.000 0.000 0.248 509 V C 2.601 178.688 176.094 -0.012 0.000 1.051 509 V CA 1.527 63.815 62.300 -0.021 0.000 1.048 509 V CB -1.257 30.558 31.823 -0.013 0.000 0.666 509 V HN 0.125 nan 8.190 nan 0.000 0.456 510 Q N 0.136 119.928 119.800 -0.014 0.000 2.437 510 Q HA 0.017 4.357 4.340 0.000 0.000 0.210 510 Q C 0.548 176.551 176.000 0.006 0.000 0.972 510 Q CA 0.586 56.391 55.803 0.004 0.000 0.903 510 Q CB -0.054 28.678 28.738 -0.010 0.000 0.967 510 Q HN 0.547 nan 8.270 nan 0.000 0.486 511 V N 1.863 121.767 119.914 -0.016 0.000 2.370 511 V HA 0.326 4.446 4.120 0.000 0.000 0.279 511 V C -0.017 176.070 176.094 -0.011 0.000 1.029 511 V CA -0.866 61.426 62.300 -0.014 0.000 0.870 511 V CB 1.606 33.407 31.823 -0.037 0.000 0.984 511 V HN -0.025 nan 8.190 nan 0.000 0.451 512 R N 4.076 124.580 120.500 0.005 0.000 2.393 512 R HA 0.571 4.911 4.340 0.000 0.000 0.310 512 R C -0.988 175.295 176.300 -0.029 0.000 0.968 512 R CA -0.792 55.304 56.100 -0.006 0.000 0.867 512 R CB 1.208 31.520 30.300 0.019 0.000 1.124 512 R HN 0.672 nan 8.270 nan 0.000 0.450 513 I N 3.787 124.314 120.570 -0.072 0.000 2.416 513 I HA 0.277 4.447 4.170 0.000 0.000 0.288 513 I C -0.303 175.728 176.117 -0.144 0.000 1.051 513 I CA 0.545 61.756 61.300 -0.148 0.000 1.375 513 I CB 1.046 38.876 38.000 -0.283 0.000 1.407 513 I HN 0.849 nan 8.210 nan 0.000 0.516 514 T N 4.743 119.217 114.554 -0.133 0.000 2.929 514 T HA 0.831 5.181 4.350 0.000 0.000 0.284 514 T C 0.171 174.788 174.700 -0.138 0.000 1.014 514 T CA -0.651 61.393 62.100 -0.093 0.000 1.051 514 T CB 1.309 70.157 68.868 -0.033 0.000 1.028 514 T HN 0.854 nan 8.240 nan 0.000 0.485 515 A N 2.301 125.077 122.820 -0.074 0.000 2.466 515 A HA 0.476 4.796 4.320 0.000 0.000 0.238 515 A C 0.876 178.432 177.584 -0.047 0.000 1.074 515 A CA -0.509 51.504 52.037 -0.039 0.000 0.774 515 A CB -0.644 18.362 19.000 0.010 0.000 1.015 515 A HN 0.940 nan 8.150 nan 0.000 0.498 516 T N 2.252 116.790 114.554 -0.027 0.000 2.867 516 T HA 0.262 4.612 4.350 0.000 0.000 0.297 516 T C -0.268 174.416 174.700 -0.028 0.000 0.989 516 T CA 0.446 62.516 62.100 -0.049 0.000 1.159 516 T CB 0.092 68.941 68.868 -0.032 0.000 0.928 516 T HN 0.618 nan 8.240 nan 0.000 0.538 517 D N 1.393 121.775 120.400 -0.030 0.000 2.896 517 D HA 0.185 4.825 4.640 0.000 0.000 0.241 517 D C 1.126 177.418 176.300 -0.014 0.000 1.188 517 D CA -0.453 53.532 54.000 -0.024 0.000 0.879 517 D CB 2.011 42.800 40.800 -0.017 0.000 1.553 517 D HN 0.533 nan 8.370 nan 0.000 0.515 518 T N -0.850 113.692 114.554 -0.021 0.000 2.995 518 T HA -0.104 4.246 4.350 0.000 0.000 0.269 518 T C 1.551 176.258 174.700 0.012 0.000 1.091 518 T CA 1.106 63.203 62.100 -0.004 0.000 1.128 518 T CB -0.063 68.790 68.868 -0.025 0.000 0.891 518 T HN 0.249 nan 8.240 nan 0.000 0.492 519 S N 0.100 115.802 115.700 0.003 0.000 2.593 519 S HA 0.277 4.747 4.470 0.000 0.000 0.217 519 S C 1.617 176.228 174.600 0.019 0.000 0.966 519 S CA -0.393 57.815 58.200 0.014 0.000 0.914 519 S CB -0.091 63.110 63.200 0.002 0.000 0.776 519 S HN 0.520 nan 8.310 nan 0.000 0.523 520 K N 0.277 120.688 120.400 0.018 0.000 2.273 520 K HA 0.316 4.636 4.320 0.000 0.000 0.206 520 K C -0.472 176.150 176.600 0.038 0.000 1.072 520 K CA 0.457 56.758 56.287 0.024 0.000 0.953 520 K CB 0.576 33.085 32.500 0.015 0.000 1.043 520 K HN 0.171 nan 8.250 nan 0.000 0.477 521 V N 4.652 124.591 119.914 0.042 0.000 2.376 521 V HA 0.276 4.396 4.120 0.000 0.000 0.287 521 V C -2.539 173.598 176.094 0.072 0.000 1.015 521 V CA -1.847 60.494 62.300 0.067 0.000 0.834 521 V CB 1.405 33.273 31.823 0.075 0.000 1.001 521 V HN 0.139 nan 8.190 nan 0.000 0.428 522 P HA 0.424 nan 4.420 nan 0.000 0.285 522 P C -0.217 177.152 177.300 0.114 0.000 1.269 522 P CA -0.392 62.763 63.100 0.091 0.000 0.844 522 P CB 0.776 32.526 31.700 0.084 0.000 1.094 523 N N -2.204 116.567 118.700 0.118 0.000 2.741 523 N HA -0.118 4.622 4.740 0.000 0.000 0.250 523 N C 0.047 175.637 175.510 0.132 0.000 1.115 523 N CA 1.261 54.390 53.050 0.132 0.000 0.724 523 N CB -2.563 36.001 38.487 0.129 0.000 1.090 523 N HN 0.702 nan 8.380 nan 0.000 0.558 524 T N -2.267 112.361 114.554 0.123 0.000 2.926 524 T HA 0.423 4.773 4.350 0.000 0.000 0.307 524 T C 0.780 175.549 174.700 0.115 0.000 1.059 524 T CA -0.298 61.867 62.100 0.109 0.000 1.122 524 T CB 1.385 70.313 68.868 0.100 0.000 0.972 524 T HN 0.141 nan 8.240 nan 0.000 0.545 525 S N 1.278 116.974 115.700 -0.007 0.000 2.669 525 S HA 0.611 5.081 4.470 0.000 0.000 0.270 525 S C 0.698 175.070 174.600 -0.380 0.000 1.225 525 S CA -0.684 57.386 58.200 -0.217 0.000 0.991 525 S CB 0.610 63.550 63.200 -0.433 0.000 0.987 525 S HN 1.154 nan 8.310 nan 0.000 0.552 526 A N 1.342 123.597 122.820 -0.941 0.000 2.498 526 A HA 0.322 4.642 4.320 0.000 0.000 0.239 526 A C 0.482 177.996 177.584 -0.117 0.000 1.068 526 A CA -0.172 51.423 52.037 -0.737 0.000 0.766 526 A CB -0.414 18.160 19.000 -0.709 0.000 1.003 526 A HN 0.673 nan 8.150 nan 0.000 0.497 527 T N 2.481 117.003 114.554 -0.054 0.000 2.961 527 T HA 0.482 4.832 4.350 0.000 0.000 0.270 527 T C 0.406 175.101 174.700 -0.009 0.000 0.926 527 T CA 0.953 63.059 62.100 0.009 0.000 1.112 527 T CB -0.744 68.121 68.868 -0.006 0.000 0.926 527 T HN 1.159 nan 8.240 nan 0.000 0.612 528 A N 1.996 124.821 122.820 0.009 0.000 2.534 528 A HA 0.882 5.202 4.320 0.000 0.000 0.300 528 A C 0.626 177.958 177.584 -0.420 0.000 1.223 528 A CA -0.331 51.630 52.037 -0.126 0.000 0.666 528 A CB 0.117 19.077 19.000 -0.067 0.000 1.316 528 A HN 1.414 nan 8.150 nan 0.000 0.468 529 A N -1.015 121.503 122.820 -0.504 0.000 2.816 529 A HA 0.016 4.336 4.320 0.000 0.000 0.270 529 A C 1.185 178.576 177.584 -0.322 0.000 1.413 529 A CA 1.853 53.548 52.037 -0.569 0.000 0.866 529 A CB -2.532 15.729 19.000 -1.231 0.000 1.032 529 A HN 2.455 nan 8.150 nan 0.000 0.642 530 S N -2.873 112.715 115.700 -0.187 0.000 3.225 530 S HA -0.323 4.147 4.470 0.000 0.000 0.308 530 S C 1.067 175.615 174.600 -0.087 0.000 1.270 530 S CA 2.006 60.149 58.200 -0.095 0.000 1.011 530 S CB -2.251 60.930 63.200 -0.033 0.000 1.138 530 S HN 2.465 nan 8.310 nan 0.000 0.661 531 S N -0.025 115.579 115.700 -0.160 0.000 2.605 531 S HA 0.392 4.862 4.470 0.000 0.000 0.217 531 S C 1.801 176.398 174.600 -0.005 0.000 0.958 531 S CA 0.390 58.537 58.200 -0.088 0.000 0.919 531 S CB 0.113 63.213 63.200 -0.165 0.000 0.780 531 S HN 0.724 nan 8.310 nan 0.000 0.507 532 G N 2.259 111.054 108.800 -0.007 0.000 2.480 532 G HA2 -0.042 3.918 3.960 0.000 0.000 0.216 532 G HA3 -0.042 3.918 3.960 0.000 0.000 0.216 532 G C 1.593 176.509 174.900 0.028 0.000 1.200 532 G CA 0.763 45.882 45.100 0.032 0.000 0.782 532 G HN 0.727 nan 8.290 nan 0.000 0.554 533 A N 0.646 123.469 122.820 0.005 0.000 1.897 533 A HA 0.050 4.370 4.320 0.000 0.000 0.215 533 A C 2.064 179.636 177.584 -0.019 0.000 1.181 533 A CA 2.003 54.030 52.037 -0.017 0.000 0.620 533 A CB -0.500 18.495 19.000 -0.007 0.000 0.821 533 A HN 0.290 nan 8.150 nan 0.000 0.443 534 D N -0.325 120.080 120.400 0.009 0.000 2.127 534 D HA -0.205 4.435 4.640 0.000 0.000 0.190 534 D C 2.043 178.313 176.300 -0.049 0.000 1.000 534 D CA 2.053 56.059 54.000 0.011 0.000 0.839 534 D CB -0.201 40.647 40.800 0.081 0.000 0.955 534 D HN 0.468 nan 8.370 nan 0.000 0.446 535 M N -0.512 119.104 119.600 0.027 0.000 2.325 535 M HA 0.002 4.482 4.480 0.000 0.000 0.265 535 M C 1.672 177.982 176.300 0.018 0.000 1.094 535 M CA 0.536 55.894 55.300 0.096 0.000 1.161 535 M CB -0.005 32.716 32.600 0.202 0.000 1.358 535 M HN -0.025 nan 8.290 nan 0.000 0.446 536 N N 0.681 119.389 118.700 0.014 0.000 2.270 536 N HA -0.062 4.678 4.740 0.000 0.000 0.181 536 N C 1.793 177.248 175.510 -0.092 0.000 1.016 536 N CA 1.435 54.483 53.050 -0.004 0.000 0.870 536 N CB -0.386 38.133 38.487 0.053 0.000 0.979 536 N HN 0.405 nan 8.380 nan 0.000 0.431 537 G N 1.693 110.425 108.800 -0.112 0.000 2.446 537 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 537 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 537 G C 1.548 176.368 174.900 -0.134 0.000 1.168 537 G CA 0.572 45.608 45.100 -0.106 0.000 0.771 537 G HN 0.146 nan 8.290 nan 0.000 0.551 538 M N 0.982 120.431 119.600 -0.251 0.000 2.175 538 M HA 0.097 4.577 4.480 0.000 0.000 0.264 538 M C 2.987 179.198 176.300 -0.148 0.000 1.063 538 M CA 1.178 56.264 55.300 -0.356 0.000 1.119 538 M CB -1.068 30.944 32.600 -0.981 0.000 1.377 538 M HN 0.332 nan 8.290 nan 0.000 0.415 539 A N -0.162 122.619 122.820 -0.064 0.000 1.873 539 A HA -0.069 4.251 4.320 0.000 0.000 0.215 539 A C 2.422 180.018 177.584 0.021 0.000 1.186 539 A CA 1.570 53.621 52.037 0.022 0.000 0.616 539 A CB -0.920 18.103 19.000 0.039 0.000 0.823 539 A HN 0.271 nan 8.150 nan 0.000 0.442 540 V N 0.440 120.349 119.914 -0.009 0.000 2.295 540 V HA -0.284 3.836 4.120 0.000 0.000 0.246 540 V C 2.566 178.654 176.094 -0.010 0.000 1.049 540 V CA 2.425 64.721 62.300 -0.007 0.000 1.024 540 V CB -0.668 31.128 31.823 -0.043 0.000 0.648 540 V HN 0.721 nan 8.190 nan 0.000 0.447 541 K N 0.078 120.462 120.400 -0.027 0.000 2.103 541 K HA -0.292 4.028 4.320 0.000 0.000 0.207 541 K C 1.890 178.473 176.600 -0.029 0.000 1.048 541 K CA 2.211 58.479 56.287 -0.033 0.000 0.930 541 K CB -0.310 32.139 32.500 -0.086 0.000 0.716 541 K HN 0.534 nan 8.250 nan 0.000 0.444 542 D N -0.076 120.317 120.400 -0.012 0.000 2.084 542 D HA -0.138 4.502 4.640 0.000 0.000 0.194 542 D C 1.716 178.029 176.300 0.022 0.000 0.990 542 D CA 1.733 55.745 54.000 0.020 0.000 0.826 542 D CB -0.118 40.724 40.800 0.070 0.000 0.971 542 D HN 0.334 nan 8.370 nan 0.000 0.453 543 A N -0.528 122.308 122.820 0.027 0.000 1.930 543 A HA -0.138 4.182 4.320 0.000 0.000 0.217 543 A C 2.606 180.188 177.584 -0.003 0.000 1.175 543 A CA 1.430 53.479 52.037 0.021 0.000 0.627 543 A CB -0.965 18.052 19.000 0.029 0.000 0.815 543 A HN 0.497 nan 8.150 nan 0.000 0.443 544 C N -0.739 118.554 119.300 -0.012 0.000 2.446 544 C HA -0.067 4.393 4.460 0.000 0.000 0.277 544 C C 2.652 177.612 174.990 -0.051 0.000 1.275 544 C CA 1.157 60.157 59.018 -0.031 0.000 1.727 544 C CB -1.217 26.505 27.740 -0.030 0.000 2.010 544 C HN 0.685 nan 8.230 nan 0.000 0.486 545 E N 0.185 120.359 120.200 -0.043 0.000 2.110 545 E HA -0.170 4.180 4.350 0.000 0.000 0.193 545 E C 2.104 178.679 176.600 -0.042 0.000 0.988 545 E CA 1.690 58.060 56.400 -0.050 0.000 0.804 545 E CB -0.212 29.466 29.700 -0.036 0.000 0.745 545 E HN 0.617 nan 8.360 nan 0.000 0.458 546 T N 1.484 116.025 114.554 -0.023 0.000 2.684 546 T HA -0.153 4.197 4.350 0.000 0.000 0.267 546 T C 1.939 176.624 174.700 -0.024 0.000 1.036 546 T CA 0.892 62.984 62.100 -0.013 0.000 1.148 546 T CB -0.200 68.668 68.868 0.000 0.000 0.863 546 T HN 0.088 nan 8.240 nan 0.000 0.436 547 L N 0.212 121.415 121.223 -0.034 0.000 2.027 547 L HA -0.050 4.290 4.340 0.000 0.000 0.206 547 L C 3.023 179.848 176.870 -0.074 0.000 1.074 547 L CA 1.283 56.101 54.840 -0.038 0.000 0.745 547 L CB -0.464 41.581 42.059 -0.024 0.000 0.898 547 L HN 0.113 nan 8.230 nan 0.000 0.433 548 R N 0.173 120.585 120.500 -0.147 0.000 2.105 548 R HA -0.161 4.179 4.340 0.000 0.000 0.239 548 R C 2.182 178.373 176.300 -0.181 0.000 1.135 548 R CA 1.577 57.475 56.100 -0.337 0.000 0.967 548 R CB -0.538 29.518 30.300 -0.406 0.000 0.861 548 R HN 0.462 nan 8.270 nan 0.000 0.442 549 G N 0.312 109.068 108.800 -0.074 0.000 2.422 549 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 549 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 549 G C 1.493 176.412 174.900 0.033 0.000 1.146 549 G CA 0.350 45.448 45.100 -0.003 0.000 0.769 549 G HN 0.314 nan 8.290 nan 0.000 0.547 550 R N -0.386 120.126 120.500 0.020 0.000 2.066 550 R HA 0.129 4.469 4.340 0.000 0.000 0.232 550 R C 2.629 178.992 176.300 0.105 0.000 1.131 550 R CA 0.792 56.919 56.100 0.044 0.000 0.955 550 R CB -0.456 29.849 30.300 0.008 0.000 0.851 550 R HN 0.306 nan 8.270 nan 0.000 0.432 551 L N 0.172 121.461 121.223 0.110 0.000 2.017 551 L HA -0.177 4.163 4.340 0.000 0.000 0.208 551 L C 2.703 179.799 176.870 0.375 0.000 1.073 551 L CA 1.362 56.353 54.840 0.252 0.000 0.745 551 L CB -0.580 41.639 42.059 0.266 0.000 0.894 551 L HN 0.261 nan 8.230 nan 0.000 0.432 552 A N 0.182 123.216 122.820 0.355 0.000 1.877 552 A HA -0.154 4.166 4.320 0.000 0.000 0.216 552 A C 2.391 180.073 177.584 0.163 0.000 1.186 552 A CA 1.814 54.053 52.037 0.337 0.000 0.620 552 A CB -1.367 17.834 19.000 0.334 0.000 0.822 552 A HN 0.461 nan 8.150 nan 0.000 0.443 553 G N -1.007 107.876 108.800 0.138 0.000 2.440 553 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 553 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 553 G C 1.457 176.413 174.900 0.092 0.000 1.154 553 G CA 1.259 46.415 45.100 0.093 0.000 0.767 553 G HN 0.574 nan 8.290 nan 0.000 0.552 554 F N 1.558 121.507 119.950 -0.002 0.000 2.075 554 F HA -0.095 4.432 4.527 0.000 0.000 0.297 554 F C 2.590 178.351 175.800 -0.065 0.000 1.113 554 F CA 1.652 59.630 58.000 -0.036 0.000 1.218 554 F CB -0.577 38.394 39.000 -0.049 0.000 0.984 554 F HN 0.005 nan 8.300 nan 0.000 0.472 555 V N 1.060 120.706 119.914 -0.447 0.000 2.295 555 V HA -0.294 3.826 4.120 0.000 0.000 0.246 555 V C 2.871 178.763 176.094 -0.336 0.000 1.049 555 V CA 1.881 63.835 62.300 -0.577 0.000 1.024 555 V CB -1.734 29.892 31.823 -0.329 0.000 0.648 555 V HN 0.545 nan 8.190 nan 0.000 0.447 556 A N -0.035 122.695 122.820 -0.150 0.000 1.908 556 A HA -0.156 4.164 4.320 0.000 0.000 0.218 556 A C 2.416 179.943 177.584 -0.094 0.000 1.181 556 A CA 2.307 54.298 52.037 -0.076 0.000 0.627 556 A CB -0.779 18.214 19.000 -0.013 0.000 0.818 556 A HN 0.579 nan 8.150 nan 0.000 0.445 557 A N -0.871 121.880 122.820 -0.115 0.000 1.855 557 A HA -0.126 4.194 4.320 0.000 0.000 0.215 557 A C 2.269 179.768 177.584 -0.142 0.000 1.191 557 A CA 1.469 53.450 52.037 -0.094 0.000 0.613 557 A CB -0.507 18.462 19.000 -0.051 0.000 0.829 557 A HN 0.378 nan 8.150 nan 0.000 0.442 558 R N -0.280 120.050 120.500 -0.283 0.000 2.193 558 R HA -0.063 4.277 4.340 0.000 0.000 0.229 558 R C 0.268 176.449 176.300 -0.198 0.000 1.110 558 R CA 1.163 57.081 56.100 -0.305 0.000 0.988 558 R CB -0.023 29.899 30.300 -0.631 0.000 0.871 558 R HN 0.499 nan 8.270 nan 0.000 0.458 559 E N -0.897 119.203 120.200 -0.166 0.000 2.624 559 E HA 0.110 4.460 4.350 0.000 0.000 0.210 559 E C 0.001 176.583 176.600 -0.030 0.000 0.997 559 E CA 0.154 56.519 56.400 -0.058 0.000 0.999 559 E CB 0.838 30.539 29.700 0.001 0.000 1.040 559 E HN 0.367 nan 8.360 nan 0.000 0.469 560 G N 2.538 111.311 108.800 -0.046 0.000 2.352 560 G HA2 -0.291 3.669 3.960 0.000 0.000 0.283 560 G HA3 -0.291 3.669 3.960 0.000 0.000 0.283 560 G C 0.398 175.291 174.900 -0.012 0.000 0.946 560 G CA 0.677 45.762 45.100 -0.025 0.000 1.317 560 G HN 0.443 nan 8.290 nan 0.000 0.478 561 C N -1.728 117.564 119.300 -0.013 0.000 3.253 561 C HA 0.933 5.393 4.460 0.000 0.000 0.362 561 C C 0.755 175.747 174.990 0.003 0.000 1.487 561 C CA -0.510 58.508 59.018 -0.000 0.000 1.179 561 C CB 1.114 28.858 27.740 0.007 0.000 1.660 561 C HN 2.254 nan 8.230 nan 0.000 0.438 562 A N 0.508 123.335 122.820 0.012 0.000 2.445 562 A HA 0.587 4.907 4.320 0.000 0.000 0.242 562 A C 1.363 178.964 177.584 0.029 0.000 1.075 562 A CA 0.539 52.588 52.037 0.019 0.000 0.777 562 A CB -0.059 18.955 19.000 0.022 0.000 1.013 562 A HN 2.415 nan 8.150 nan 0.000 0.493 563 A N 1.907 124.749 122.820 0.036 0.000 1.929 563 A HA -0.105 4.215 4.320 0.000 0.000 0.216 563 A C 2.029 179.660 177.584 0.079 0.000 1.176 563 A CA 1.473 53.544 52.037 0.056 0.000 0.628 563 A CB -0.403 18.631 19.000 0.056 0.000 0.816 563 A HN 0.966 nan 8.150 nan 0.000 0.444 564 R N -0.721 119.817 120.500 0.064 0.000 2.316 564 R HA -0.012 4.328 4.340 0.000 0.000 0.202 564 R C -0.015 176.330 176.300 0.074 0.000 1.029 564 R CA 1.338 57.480 56.100 0.071 0.000 1.018 564 R CB -0.309 30.022 30.300 0.051 0.000 0.888 564 R HN 0.217 nan 8.270 nan 0.000 0.471 565 D N 0.891 121.330 120.400 0.065 0.000 2.339 565 D HA 0.067 4.707 4.640 0.000 0.000 0.217 565 D C -0.230 176.110 176.300 0.066 0.000 1.050 565 D CA 0.244 54.278 54.000 0.057 0.000 0.856 565 D CB 0.658 41.482 40.800 0.040 0.000 0.922 565 D HN 0.011 nan 8.370 nan 0.000 0.518 566 V N 2.390 122.360 119.914 0.092 0.000 2.408 566 V HA 0.227 4.347 4.120 0.000 0.000 0.267 566 V C 0.514 176.682 176.094 0.122 0.000 1.047 566 V CA -0.448 61.901 62.300 0.082 0.000 0.937 566 V CB 1.149 33.034 31.823 0.104 0.000 0.999 566 V HN -0.083 nan 8.190 nan 0.000 0.472 567 I N 5.273 125.863 120.570 0.033 0.000 2.359 567 I HA 0.448 4.618 4.170 0.000 0.000 0.294 567 I C -0.734 175.371 176.117 -0.020 0.000 0.987 567 I CA -0.166 61.186 61.300 0.087 0.000 1.225 567 I CB 1.230 39.266 38.000 0.061 0.000 1.366 567 I HN 0.377 nan 8.210 nan 0.000 0.466 568 F N 4.038 124.055 119.950 0.111 0.000 2.375 568 F HA 0.456 4.983 4.527 -0.000 0.000 0.361 568 F C -0.250 175.594 175.800 0.073 0.000 1.117 568 F CA -0.537 57.539 58.000 0.127 0.000 1.037 568 F CB 1.186 40.270 39.000 0.141 0.000 1.192 568 F HN 0.374 nan 8.300 nan 0.000 0.452 569 D N 1.725 122.232 120.400 0.178 0.000 2.937 569 D HA 0.525 5.165 4.640 0.000 0.000 0.215 569 D C -0.330 176.011 176.300 0.068 0.000 1.274 569 D CA -0.027 54.035 54.000 0.103 0.000 0.869 569 D CB 1.690 42.535 40.800 0.075 0.000 1.675 569 D HN 0.708 nan 8.370 nan 0.000 0.538 570 A N 2.678 125.520 122.820 0.037 0.000 2.791 570 A HA 0.184 4.504 4.320 0.000 0.000 0.292 570 A C 1.570 179.175 177.584 0.035 0.000 1.487 570 A CA 1.854 53.903 52.037 0.020 0.000 0.760 570 A CB -2.173 16.838 19.000 0.017 0.000 1.031 570 A HN 2.002 nan 8.150 nan 0.000 0.503 571 G N -2.558 106.265 108.800 0.038 0.000 2.155 571 G HA2 -0.247 3.713 3.960 0.000 0.000 0.257 571 G HA3 -0.247 3.713 3.960 0.000 0.000 0.257 571 G C -0.075 174.934 174.900 0.181 0.000 0.983 571 G CA 0.934 46.089 45.100 0.091 0.000 0.676 571 G HN 1.421 nan 8.290 nan 0.000 0.528 572 Q N -0.310 119.576 119.800 0.143 0.000 2.282 572 Q HA 0.624 4.964 4.340 0.000 0.000 0.260 572 Q C -0.278 175.786 176.000 0.108 0.000 0.964 572 Q CA -0.632 55.249 55.803 0.130 0.000 0.880 572 Q CB 2.691 31.469 28.738 0.066 0.000 1.286 572 Q HN 0.227 nan 8.270 nan 0.000 0.445 573 V N 2.266 122.244 119.914 0.106 0.000 2.417 573 V HA 0.373 4.493 4.120 0.000 0.000 0.291 573 V C -0.371 175.800 176.094 0.129 0.000 1.024 573 V CA -0.606 61.648 62.300 -0.077 0.000 0.861 573 V CB 1.685 33.407 31.823 -0.168 0.000 0.985 573 V HN 0.684 nan 8.190 nan 0.000 0.436 574 Q N 2.434 122.241 119.800 0.013 0.000 2.323 574 Q HA 0.831 5.171 4.340 0.000 0.000 0.271 574 Q C -0.974 175.085 176.000 0.099 0.000 1.048 574 Q CA -0.406 55.434 55.803 0.062 0.000 0.792 574 Q CB 2.335 31.065 28.738 -0.013 0.000 1.280 574 Q HN 1.024 nan 8.270 nan 0.000 0.441 575 A N 1.384 124.306 122.820 0.171 0.000 2.594 575 A HA 0.572 4.892 4.320 0.000 0.000 0.296 575 A C -0.258 177.390 177.584 0.107 0.000 1.056 575 A CA -0.087 52.036 52.037 0.144 0.000 0.693 575 A CB 1.354 20.457 19.000 0.171 0.000 1.278 575 A HN 0.742 nan 8.150 nan 0.000 0.408 576 S N -0.097 115.637 115.700 0.055 0.000 3.521 576 S HA -0.073 4.397 4.470 0.000 0.000 0.328 576 S C 1.462 176.048 174.600 -0.023 0.000 1.165 576 S CA 2.032 60.248 58.200 0.027 0.000 0.941 576 S CB -1.454 61.781 63.200 0.059 0.000 0.951 576 S HN 2.872 nan 8.310 nan 0.000 0.539 577 G N 0.080 108.852 108.800 -0.047 0.000 2.246 577 G HA2 -0.299 3.661 3.960 0.000 0.000 0.273 577 G HA3 -0.299 3.661 3.960 0.000 0.000 0.273 577 G C -0.344 174.460 174.900 -0.160 0.000 1.055 577 G CA 0.913 45.962 45.100 -0.084 0.000 0.851 577 G HN 0.698 nan 8.290 nan 0.000 0.500 578 K N -0.229 120.016 120.400 -0.258 0.000 2.501 578 K HA 0.651 4.971 4.320 0.000 0.000 0.252 578 K C -0.125 175.988 176.600 -0.812 0.000 0.934 578 K CA -0.222 55.742 56.287 -0.539 0.000 0.797 578 K CB 2.176 34.304 32.500 -0.620 0.000 1.270 578 K HN 0.461 nan 8.250 nan 0.000 0.431 579 S N 1.283 116.490 115.700 -0.821 0.000 2.568 579 S HA 0.661 5.131 4.470 0.000 0.000 0.302 579 S C -0.882 173.271 174.600 -0.746 0.000 1.082 579 S CA -0.783 57.051 58.200 -0.611 0.000 1.009 579 S CB 1.284 64.335 63.200 -0.248 0.000 1.069 579 S HN 0.598 nan 8.310 nan 0.000 0.500 580 W N 0.201 121.481 121.300 -0.034 0.000 3.032 580 W HA 0.492 5.152 4.660 -0.000 0.000 0.341 580 W C 0.016 176.542 176.519 0.012 0.000 1.202 580 W CA -0.969 56.368 57.345 -0.013 0.000 1.132 580 W CB 1.943 31.390 29.460 -0.021 0.000 1.465 580 W HN 0.603 nan 8.180 nan 0.000 0.576 581 R N 0.548 121.216 120.500 0.281 0.000 2.500 581 R HA 0.189 4.529 4.340 0.000 0.000 0.275 581 R C 1.118 177.571 176.300 0.254 0.000 1.051 581 R CA -0.581 55.655 56.100 0.226 0.000 1.088 581 R CB 0.874 31.276 30.300 0.170 0.000 1.063 581 R HN 0.385 nan 8.270 nan 0.000 0.511 582 F N 2.183 122.210 119.950 0.129 0.000 2.095 582 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 582 F C 2.069 177.943 175.800 0.124 0.000 1.104 582 F CA 2.207 60.294 58.000 0.145 0.000 1.232 582 F CB -0.305 38.789 39.000 0.157 0.000 0.987 582 F HN 0.684 nan 8.300 nan 0.000 0.475 583 A N 0.078 123.003 122.820 0.174 0.000 1.917 583 A HA -0.268 4.052 4.320 0.000 0.000 0.219 583 A C 2.115 179.690 177.584 -0.014 0.000 1.182 583 A CA 2.103 54.174 52.037 0.056 0.000 0.633 583 A CB -0.983 18.085 19.000 0.114 0.000 0.819 583 A HN 0.610 nan 8.150 nan 0.000 0.448 584 E N -0.592 119.632 120.200 0.039 0.000 2.077 584 E HA -0.161 4.189 4.350 0.000 0.000 0.193 584 E C 1.838 178.411 176.600 -0.045 0.000 0.989 584 E CA 1.115 57.539 56.400 0.039 0.000 0.800 584 E CB -0.219 29.566 29.700 0.141 0.000 0.746 584 E HN 0.553 nan 8.360 nan 0.000 0.452 585 I N 0.696 121.201 120.570 -0.108 0.000 2.353 585 I HA -0.163 4.007 4.170 0.000 0.000 0.248 585 I C 2.401 178.421 176.117 -0.163 0.000 1.119 585 I CA 0.786 61.999 61.300 -0.146 0.000 1.417 585 I CB -0.771 37.129 38.000 -0.168 0.000 1.078 585 I HN -0.004 nan 8.210 nan 0.000 0.421 586 V N 1.461 121.196 119.914 -0.297 0.000 2.295 586 V HA -0.259 3.861 4.120 0.000 0.000 0.246 586 V C 2.834 178.838 176.094 -0.150 0.000 1.049 586 V CA 1.880 64.010 62.300 -0.283 0.000 1.024 586 V CB -1.055 30.564 31.823 -0.341 0.000 0.648 586 V HN 0.441 nan 8.190 nan 0.000 0.447 587 A N -0.127 122.638 122.820 -0.092 0.000 1.902 587 A HA -0.125 4.195 4.320 0.000 0.000 0.217 587 A C 2.401 179.987 177.584 0.003 0.000 1.181 587 A CA 2.139 54.165 52.037 -0.018 0.000 0.623 587 A CB -0.769 18.230 19.000 -0.003 0.000 0.818 587 A HN 0.581 nan 8.150 nan 0.000 0.443 588 A N -0.278 122.518 122.820 -0.041 0.000 1.930 588 A HA 0.213 4.533 4.320 0.000 0.000 0.217 588 A C 2.471 179.869 177.584 -0.309 0.000 1.175 588 A CA 1.894 53.913 52.037 -0.030 0.000 0.627 588 A CB -0.905 18.162 19.000 0.113 0.000 0.815 588 A HN 1.024 nan 8.150 nan 0.000 0.443 589 A N -1.324 121.139 122.820 -0.594 0.000 1.933 589 A HA -0.101 4.219 4.320 0.000 0.000 0.218 589 A C 2.111 179.405 177.584 -0.482 0.000 1.175 589 A CA 1.612 53.033 52.037 -1.026 0.000 0.628 589 A CB -0.812 17.737 19.000 -0.751 0.000 0.814 589 A HN 0.779 nan 8.150 nan 0.000 0.444 590 Y N 0.159 120.262 120.300 -0.329 0.000 2.181 590 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 590 Y C 2.251 178.051 175.900 -0.167 0.000 1.146 590 Y CA 2.090 60.069 58.100 -0.201 0.000 1.164 590 Y CB -0.234 38.149 38.460 -0.128 0.000 0.982 590 Y HN 0.217 nan 8.280 nan 0.000 0.515 591 M N -0.050 119.394 119.600 -0.259 0.000 2.175 591 M HA -0.111 4.369 4.480 0.000 0.000 0.264 591 M C 2.255 178.399 176.300 -0.261 0.000 1.063 591 M CA 1.594 56.732 55.300 -0.269 0.000 1.119 591 M CB -1.340 31.211 32.600 -0.081 0.000 1.377 591 M HN 0.476 nan 8.290 nan 0.000 0.415 592 A N -0.243 122.417 122.820 -0.266 0.000 2.235 592 A HA 0.024 4.344 4.320 0.000 0.000 0.208 592 A C 0.716 178.171 177.584 -0.215 0.000 1.172 592 A CA 0.061 51.980 52.037 -0.197 0.000 0.786 592 A CB -0.480 18.406 19.000 -0.190 0.000 0.804 592 A HN 0.575 nan 8.150 nan 0.000 0.479 593 R N -0.932 119.394 120.500 -0.289 0.000 3.201 593 R HA -0.120 4.220 4.340 0.000 0.000 0.254 593 R C -0.903 175.291 176.300 -0.178 0.000 0.978 593 R CA 0.598 56.551 56.100 -0.245 0.000 0.661 593 R CB -1.820 28.366 30.300 -0.189 0.000 1.170 593 R HN 0.395 nan 8.270 nan 0.000 0.430 594 I N 0.169 120.616 120.570 -0.205 0.000 2.392 594 I HA 0.138 4.308 4.170 0.000 0.000 0.295 594 I C 1.189 177.246 176.117 -0.100 0.000 0.985 594 I CA -0.353 60.855 61.300 -0.152 0.000 1.221 594 I CB 1.717 39.587 38.000 -0.217 0.000 1.366 594 I HN 0.103 nan 8.210 nan 0.000 0.467 595 S N 5.721 121.383 115.700 -0.063 0.000 2.516 595 S HA 0.276 4.746 4.470 0.000 0.000 0.282 595 S C 0.598 175.171 174.600 -0.045 0.000 1.286 595 S CA -0.257 57.919 58.200 -0.040 0.000 1.066 595 S CB 0.115 63.297 63.200 -0.030 0.000 0.884 595 S HN 0.495 nan 8.310 nan 0.000 0.491 596 L N 4.190 125.387 121.223 -0.042 0.000 2.872 596 L HA 0.328 4.668 4.340 0.000 0.000 0.245 596 L C 0.540 177.362 176.870 -0.080 0.000 1.211 596 L CA -0.199 54.604 54.840 -0.061 0.000 1.013 596 L CB 0.447 42.463 42.059 -0.071 0.000 1.326 596 L HN 0.504 nan 8.230 nan 0.000 0.525 597 S N 0.654 116.319 115.700 -0.058 0.000 2.502 597 S HA 0.871 5.341 4.470 0.000 0.000 0.304 597 S C -0.665 173.917 174.600 -0.030 0.000 1.097 597 S CA -0.337 57.830 58.200 -0.055 0.000 1.045 597 S CB 1.632 64.806 63.200 -0.043 0.000 1.019 597 S HN 0.217 nan 8.310 nan 0.000 0.481 598 A N 2.815 125.622 122.820 -0.022 0.000 2.547 598 A HA 0.748 5.068 4.320 0.000 0.000 0.297 598 A C -0.276 177.315 177.584 0.013 0.000 1.056 598 A CA -0.734 51.301 52.037 -0.004 0.000 0.688 598 A CB 1.271 20.268 19.000 -0.005 0.000 1.282 598 A HN 0.909 nan 8.150 nan 0.000 0.400 599 T N -0.518 114.054 114.554 0.029 0.000 2.929 599 T HA 0.811 5.161 4.350 0.000 0.000 0.284 599 T C 0.257 175.004 174.700 0.079 0.000 1.014 599 T CA -0.110 62.023 62.100 0.056 0.000 1.051 599 T CB 1.812 70.716 68.868 0.060 0.000 1.028 599 T HN 1.717 nan 8.240 nan 0.000 0.485 600 G N 0.403 109.271 108.800 0.113 0.000 2.571 600 G HA2 0.670 4.630 3.960 0.000 0.000 0.304 600 G HA3 0.670 4.630 3.960 0.000 0.000 0.304 600 G C -2.054 172.991 174.900 0.242 0.000 1.314 600 G CA -0.874 44.312 45.100 0.142 0.000 0.975 600 G HN 0.753 nan 8.290 nan 0.000 0.485 601 F N 1.293 121.290 119.950 0.079 0.000 2.608 601 F HA 0.713 5.240 4.527 -0.000 0.000 0.309 601 F C -1.932 173.969 175.800 0.167 0.000 1.103 601 F CA -1.145 56.916 58.000 0.101 0.000 0.954 601 F CB 2.329 41.366 39.000 0.062 0.000 1.267 601 F HN 0.568 nan 8.300 nan 0.000 0.444 602 Y N 3.984 123.877 120.300 -0.678 0.000 2.470 602 Y HA 0.793 5.343 4.550 -0.000 0.000 0.341 602 Y C -1.756 173.773 175.900 -0.618 0.000 1.021 602 Y CA -0.935 56.913 58.100 -0.420 0.000 1.025 602 Y CB 1.921 40.254 38.460 -0.212 0.000 1.266 602 Y HN 0.854 nan 8.280 nan 0.000 0.448 603 A N 3.688 125.911 122.820 -0.995 0.000 2.353 603 A HA 0.556 4.876 4.320 0.000 0.000 0.299 603 A C -0.798 176.211 177.584 -0.958 0.000 1.089 603 A CA -0.744 50.848 52.037 -0.741 0.000 0.736 603 A CB 0.567 19.468 19.000 -0.165 0.000 1.195 603 A HN 0.720 nan 8.150 nan 0.000 0.447 604 T N 5.715 119.854 114.554 -0.692 0.000 2.829 604 T HA 0.348 4.698 4.350 0.000 0.000 0.293 604 T C -1.883 172.722 174.700 -0.157 0.000 0.970 604 T CA -0.031 61.867 62.100 -0.337 0.000 1.168 604 T CB -0.051 68.802 68.868 -0.025 0.000 0.911 604 T HN 0.602 nan 8.240 nan 0.000 0.535 605 P HA 0.358 nan 4.420 nan 0.000 0.279 605 P C 0.260 177.564 177.300 0.007 0.000 1.276 605 P CA -0.621 62.465 63.100 -0.024 0.000 0.801 605 P CB 0.781 32.487 31.700 0.009 0.000 1.127 606 K N -2.442 117.964 120.400 0.009 0.000 3.610 606 K HA -0.151 4.169 4.320 0.000 0.000 0.283 606 K C 0.063 176.667 176.600 0.006 0.000 1.210 606 K CA 0.847 57.142 56.287 0.013 0.000 1.026 606 K CB -1.793 30.720 32.500 0.022 0.000 1.295 606 K HN 0.377 nan 8.250 nan 0.000 0.468 607 L N 1.645 122.868 121.223 -0.001 0.000 2.361 607 L HA 0.316 4.656 4.340 0.000 0.000 0.278 607 L C 0.227 177.117 176.870 0.033 0.000 1.113 607 L CA -0.144 54.691 54.840 -0.008 0.000 0.849 607 L CB 1.453 43.500 42.059 -0.020 0.000 1.155 607 L HN 0.081 nan 8.230 nan 0.000 0.452 608 S N 4.659 120.396 115.700 0.062 0.000 2.584 608 S HA 0.570 5.040 4.470 0.000 0.000 0.282 608 S C -1.836 172.885 174.600 0.202 0.000 1.138 608 S CA -0.726 57.539 58.200 0.110 0.000 0.987 608 S CB 0.786 64.021 63.200 0.058 0.000 1.137 608 S HN 0.648 nan 8.310 nan 0.000 0.457 609 W N 4.028 125.275 121.300 -0.089 0.000 3.363 609 W HA 0.512 5.172 4.660 0.000 0.000 0.306 609 W C -2.100 174.362 176.519 -0.094 0.000 1.253 609 W CA -0.846 56.433 57.345 -0.110 0.000 1.195 609 W CB 0.490 29.847 29.460 -0.172 0.000 1.366 609 W HN 0.597 nan 8.180 nan 0.000 0.551 610 D N 3.995 124.174 120.400 -0.367 0.000 2.380 610 D HA 0.152 4.792 4.640 0.000 0.000 0.230 610 D C 1.491 177.208 176.300 -0.972 0.000 1.154 610 D CA -0.042 53.628 54.000 -0.550 0.000 0.859 610 D CB 1.104 41.742 40.800 -0.270 0.000 1.045 610 D HN 0.524 nan 8.370 nan 0.000 0.495 611 R N 3.575 123.281 120.500 -1.323 0.000 2.103 611 R HA -0.164 4.176 4.340 0.000 0.000 0.242 611 R C 1.549 177.642 176.300 -0.345 0.000 1.142 611 R CA 1.216 56.590 56.100 -1.210 0.000 0.960 611 R CB -0.061 29.863 30.300 -0.628 0.000 0.858 611 R HN 0.525 nan 8.270 nan 0.000 0.439 612 L N -0.009 121.086 121.223 -0.214 0.000 2.005 612 L HA -0.135 4.205 4.340 0.000 0.000 0.207 612 L C 2.825 179.736 176.870 0.067 0.000 1.072 612 L CA 1.464 56.309 54.840 0.008 0.000 0.744 612 L CB -0.396 41.644 42.059 -0.032 0.000 0.895 612 L HN 0.167 nan 8.230 nan 0.000 0.433 613 R N -0.011 120.431 120.500 -0.096 0.000 2.189 613 R HA 0.007 4.347 4.340 0.000 0.000 0.218 613 R C 0.907 177.023 176.300 -0.306 0.000 1.074 613 R CA 0.719 56.758 56.100 -0.101 0.000 0.991 613 R CB -0.199 30.044 30.300 -0.096 0.000 0.883 613 R HN 0.522 nan 8.270 nan 0.000 0.457 614 G N 1.646 110.086 108.800 -0.600 0.000 2.289 614 G HA2 -0.210 3.750 3.960 0.000 0.000 0.280 614 G HA3 -0.210 3.750 3.960 0.000 0.000 0.280 614 G C -0.408 174.234 174.900 -0.431 0.000 1.089 614 G CA -0.051 44.348 45.100 -1.168 0.000 0.939 614 G HN 0.171 nan 8.290 nan 0.000 0.499 615 Q N -0.974 118.733 119.800 -0.155 0.000 2.359 615 Q HA 0.757 5.097 4.340 0.000 0.000 0.274 615 Q C 0.444 176.523 176.000 0.132 0.000 1.074 615 Q CA 0.449 56.251 55.803 -0.002 0.000 0.810 615 Q CB 2.115 30.829 28.738 -0.041 0.000 1.342 615 Q HN 1.822 nan 8.270 nan 0.000 0.427 616 G N 1.372 110.259 108.800 0.145 0.000 2.298 616 G HA2 -0.084 3.876 3.960 0.000 0.000 0.309 616 G HA3 -0.084 3.876 3.960 0.000 0.000 0.309 616 G C -1.472 173.507 174.900 0.132 0.000 1.279 616 G CA -0.937 44.258 45.100 0.157 0.000 1.042 616 G HN 0.427 nan 8.290 nan 0.000 0.480 617 R N 1.446 121.992 120.500 0.077 0.000 2.335 617 R HA 0.460 4.800 4.340 0.000 0.000 0.302 617 R C -1.680 174.492 176.300 -0.212 0.000 1.147 617 R CA -1.704 54.377 56.100 -0.032 0.000 1.111 617 R CB 1.499 31.793 30.300 -0.010 0.000 1.122 617 R HN 0.298 nan 8.270 nan 0.000 0.557 618 P HA -0.041 nan 4.420 nan 0.000 0.222 618 P C -0.320 176.418 177.300 -0.936 0.000 1.153 618 P CA 0.828 63.229 63.100 -1.165 0.000 0.798 618 P CB 0.263 30.589 31.700 -2.289 0.000 0.796 619 F N -1.103 118.617 119.950 -0.384 0.000 2.492 619 F HA 0.274 4.801 4.527 -0.000 0.000 0.327 619 F C 1.649 177.222 175.800 -0.379 0.000 1.079 619 F CA -1.227 56.498 58.000 -0.459 0.000 0.967 619 F CB 1.492 40.071 39.000 -0.702 0.000 1.169 619 F HN -0.321 nan 8.300 nan 0.000 0.472 620 L N 2.949 124.098 121.223 -0.122 0.000 2.072 620 L HA 0.039 4.379 4.340 0.000 0.000 0.205 620 L C -0.379 176.489 176.870 -0.003 0.000 1.079 620 L CA 1.526 56.354 54.840 -0.021 0.000 0.752 620 L CB -0.272 41.860 42.059 0.122 0.000 0.906 620 L HN 0.667 nan 8.230 nan 0.000 0.436 621 Y N -4.902 115.212 120.300 -0.311 0.000 2.764 621 Y HA 0.558 5.108 4.550 0.000 0.000 0.331 621 Y C -1.473 174.018 175.900 -0.681 0.000 1.280 621 Y CA -2.389 55.480 58.100 -0.385 0.000 1.065 621 Y CB 0.269 38.650 38.460 -0.131 0.000 1.319 621 Y HN -0.208 nan 8.280 nan 0.000 0.453 622 F N 1.389 121.317 119.950 -0.036 0.000 2.482 622 F HA 0.812 5.339 4.527 -0.000 0.000 0.331 622 F C 0.255 175.833 175.800 -0.370 0.000 1.115 622 F CA -0.956 56.814 58.000 -0.383 0.000 0.955 622 F CB 2.114 40.771 39.000 -0.570 0.000 1.136 622 F HN 0.808 nan 8.300 nan 0.000 0.452 623 A N 3.560 126.288 122.820 -0.154 0.000 2.331 623 A HA 0.666 4.986 4.320 0.000 0.000 0.283 623 A C -1.437 175.922 177.584 -0.374 0.000 1.142 623 A CA -0.190 51.790 52.037 -0.094 0.000 0.812 623 A CB 0.159 19.213 19.000 0.091 0.000 1.074 623 A HN 0.754 nan 8.150 nan 0.000 0.497 624 Y N 0.281 120.524 120.300 -0.095 0.000 2.630 624 Y HA 0.728 5.278 4.550 0.000 0.000 0.337 624 Y C 0.840 176.513 175.900 -0.379 0.000 1.051 624 Y CA 0.105 58.088 58.100 -0.194 0.000 1.121 624 Y CB 2.632 40.941 38.460 -0.252 0.000 1.299 624 Y HN 1.080 nan 8.280 nan 0.000 0.498 625 G N -0.394 108.372 108.800 -0.057 0.000 2.355 625 G HA2 0.593 4.553 3.960 0.000 0.000 0.296 625 G HA3 0.593 4.553 3.960 0.000 0.000 0.296 625 G C -2.286 172.636 174.900 0.038 0.000 1.507 625 G CA -0.190 44.892 45.100 -0.031 0.000 0.823 625 G HN 0.904 nan 8.290 nan 0.000 0.569 626 A N -0.999 121.854 122.820 0.054 0.000 2.574 626 A HA 1.077 5.397 4.320 0.000 0.000 0.297 626 A C -0.434 177.184 177.584 0.056 0.000 1.062 626 A CA 0.176 52.237 52.037 0.041 0.000 0.686 626 A CB 1.587 20.567 19.000 -0.034 0.000 1.285 626 A HN 2.547 nan 8.150 nan 0.000 0.403 627 A N 1.268 124.122 122.820 0.057 0.000 2.398 627 A HA 0.759 5.079 4.320 0.000 0.000 0.301 627 A C -1.078 176.510 177.584 0.007 0.000 1.041 627 A CA -0.295 51.766 52.037 0.041 0.000 0.711 627 A CB 0.766 19.836 19.000 0.117 0.000 1.240 627 A HN 0.778 nan 8.150 nan 0.000 0.420 628 I N 2.227 122.776 120.570 -0.034 0.000 2.355 628 I HA 0.384 4.554 4.170 0.000 0.000 0.288 628 I C -0.192 175.931 176.117 0.009 0.000 0.999 628 I CA -0.036 61.248 61.300 -0.027 0.000 1.163 628 I CB 2.094 40.048 38.000 -0.076 0.000 1.316 628 I HN 0.597 nan 8.210 nan 0.000 0.454 629 T N 5.462 120.049 114.554 0.055 0.000 2.856 629 T HA 0.356 4.706 4.350 0.000 0.000 0.283 629 T C -0.616 174.107 174.700 0.038 0.000 1.008 629 T CA -0.637 61.490 62.100 0.045 0.000 0.997 629 T CB 1.981 70.915 68.868 0.111 0.000 0.992 629 T HN 0.499 nan 8.240 nan 0.000 0.454 630 E N 2.022 122.218 120.200 -0.007 0.000 2.222 630 E HA 0.641 4.991 4.350 0.000 0.000 0.267 630 E C -1.074 175.485 176.600 -0.068 0.000 0.884 630 E CA -0.777 55.601 56.400 -0.036 0.000 0.764 630 E CB 1.581 31.247 29.700 -0.056 0.000 1.169 630 E HN 0.521 nan 8.360 nan 0.000 0.413 631 V N 0.316 120.180 119.914 -0.084 0.000 3.160 631 V HA 0.776 4.896 4.120 0.000 0.000 0.310 631 V C -0.565 175.458 176.094 -0.120 0.000 1.181 631 V CA -0.880 61.365 62.300 -0.093 0.000 1.047 631 V CB 1.526 33.303 31.823 -0.075 0.000 1.068 631 V HN 0.418 nan 8.190 nan 0.000 0.441 632 V N 0.517 120.369 119.914 -0.104 0.000 2.735 632 V HA 0.818 4.938 4.120 0.000 0.000 0.310 632 V C -0.313 175.754 176.094 -0.046 0.000 1.061 632 V CA -0.639 61.610 62.300 -0.085 0.000 0.913 632 V CB 1.343 33.115 31.823 -0.085 0.000 1.005 632 V HN 1.245 nan 8.190 nan 0.000 0.428 633 I N -0.815 119.745 120.570 -0.017 0.000 2.608 633 I HA 0.746 4.916 4.170 0.000 0.000 0.295 633 I C -1.058 175.064 176.117 0.008 0.000 1.049 633 I CA -0.563 60.725 61.300 -0.020 0.000 1.063 633 I CB 2.148 40.120 38.000 -0.047 0.000 1.248 633 I HN 0.616 nan 8.210 nan 0.000 0.424 634 D N 4.183 124.582 120.400 -0.003 0.000 2.365 634 D HA 0.251 4.891 4.640 0.000 0.000 0.237 634 D C 0.893 177.188 176.300 -0.010 0.000 1.190 634 D CA -0.297 53.705 54.000 0.003 0.000 0.867 634 D CB 1.020 41.819 40.800 -0.002 0.000 1.050 634 D HN 0.472 nan 8.370 nan 0.000 0.491 635 R N 2.912 123.407 120.500 -0.007 0.000 2.237 635 R HA -0.028 4.312 4.340 0.000 0.000 0.219 635 R C 1.307 177.593 176.300 -0.022 0.000 1.080 635 R CA 0.634 56.722 56.100 -0.019 0.000 0.995 635 R CB 0.111 30.400 30.300 -0.019 0.000 0.875 635 R HN 0.571 nan 8.270 nan 0.000 0.462 636 L N -0.839 120.373 121.223 -0.018 0.000 2.130 636 L HA -0.052 4.288 4.340 0.000 0.000 0.200 636 L C 2.470 179.329 176.870 -0.018 0.000 1.075 636 L CA 1.477 56.306 54.840 -0.018 0.000 0.768 636 L CB -0.292 41.758 42.059 -0.015 0.000 0.933 636 L HN 0.227 nan 8.230 nan 0.000 0.451 637 T N -4.699 109.844 114.554 -0.018 0.000 3.034 637 T HA 0.250 4.600 4.350 0.000 0.000 0.248 637 T C 1.442 176.128 174.700 -0.023 0.000 1.040 637 T CA 0.692 62.781 62.100 -0.018 0.000 1.107 637 T CB 0.879 69.737 68.868 -0.016 0.000 0.932 637 T HN 0.410 nan 8.240 nan 0.000 0.474 638 G N 1.124 109.909 108.800 -0.026 0.000 2.201 638 G HA2 -0.189 3.771 3.960 0.000 0.000 0.212 638 G HA3 -0.189 3.771 3.960 0.000 0.000 0.212 638 G C -0.187 174.691 174.900 -0.036 0.000 0.994 638 G CA -0.102 44.977 45.100 -0.034 0.000 0.644 638 G HN 0.651 nan 8.290 nan 0.000 0.508 639 E N 0.850 121.033 120.200 -0.029 0.000 2.467 639 E HA 0.383 4.733 4.350 0.000 0.000 0.264 639 E C 0.500 177.081 176.600 -0.032 0.000 1.020 639 E CA 1.095 57.477 56.400 -0.029 0.000 0.945 639 E CB 0.243 29.930 29.700 -0.021 0.000 0.942 639 E HN 0.785 nan 8.360 nan 0.000 0.449 640 N N 0.785 119.462 118.700 -0.039 0.000 2.710 640 N HA 0.491 5.231 4.740 0.000 0.000 0.257 640 N C -1.572 173.908 175.510 -0.050 0.000 1.327 640 N CA -1.155 51.867 53.050 -0.046 0.000 0.861 640 N CB 1.403 39.855 38.487 -0.058 0.000 1.532 640 N HN 0.472 nan 8.380 nan 0.000 0.499 641 R N 0.094 120.561 120.500 -0.055 0.000 2.663 641 R HA 0.475 4.815 4.340 0.000 0.000 0.267 641 R C -1.704 174.554 176.300 -0.070 0.000 1.038 641 R CA -0.923 55.141 56.100 -0.060 0.000 0.886 641 R CB 0.904 31.174 30.300 -0.050 0.000 1.249 641 R HN 0.564 nan 8.270 nan 0.000 0.463 642 I N 3.939 124.465 120.570 -0.072 0.000 2.436 642 I HA 0.021 4.191 4.170 0.000 0.000 0.289 642 I C 1.184 177.246 176.117 -0.091 0.000 1.083 642 I CA -0.242 61.013 61.300 -0.075 0.000 1.372 642 I CB 0.889 38.851 38.000 -0.063 0.000 1.408 642 I HN 0.591 nan 8.210 nan 0.000 0.516 643 L N 5.894 127.060 121.223 -0.096 0.000 2.127 643 L HA 0.148 4.488 4.340 0.000 0.000 0.203 643 L C 1.082 177.891 176.870 -0.102 0.000 1.080 643 L CA 0.769 55.549 54.840 -0.101 0.000 0.768 643 L CB -0.119 41.866 42.059 -0.122 0.000 0.924 643 L HN 0.585 nan 8.230 nan 0.000 0.444 644 R N -1.059 119.376 120.500 -0.108 0.000 2.594 644 R HA 0.381 4.721 4.340 0.000 0.000 0.265 644 R C -1.699 174.519 176.300 -0.138 0.000 1.070 644 R CA -0.367 55.666 56.100 -0.113 0.000 0.909 644 R CB 1.867 32.125 30.300 -0.071 0.000 1.243 644 R HN -0.227 nan 8.270 nan 0.000 0.455 645 T N 2.481 116.910 114.554 -0.208 0.000 2.886 645 T HA 0.369 4.719 4.350 0.000 0.000 0.292 645 T C -1.657 172.962 174.700 -0.136 0.000 1.012 645 T CA -0.672 61.268 62.100 -0.266 0.000 0.982 645 T CB 1.618 70.073 68.868 -0.689 0.000 1.018 645 T HN 0.535 nan 8.240 nan 0.000 0.451 646 D N 2.045 122.391 120.400 -0.091 0.000 2.481 646 D HA 0.540 5.180 4.640 0.000 0.000 0.246 646 D C -0.641 175.640 176.300 -0.031 0.000 1.109 646 D CA -0.307 53.677 54.000 -0.027 0.000 0.845 646 D CB 1.311 42.110 40.800 -0.002 0.000 1.160 646 D HN 0.364 nan 8.370 nan 0.000 0.534 647 I N 2.242 122.814 120.570 0.003 0.000 2.406 647 I HA 0.312 4.482 4.170 0.000 0.000 0.290 647 I C -1.105 175.056 176.117 0.073 0.000 0.999 647 I CA -1.045 60.274 61.300 0.031 0.000 1.124 647 I CB 1.624 39.645 38.000 0.034 0.000 1.289 647 I HN 0.159 nan 8.210 nan 0.000 0.441 648 L N 7.654 128.929 121.223 0.087 0.000 2.324 648 L HA 0.455 4.795 4.340 0.000 0.000 0.274 648 L C -0.896 176.065 176.870 0.152 0.000 1.012 648 L CA -0.116 54.799 54.840 0.125 0.000 0.859 648 L CB 0.439 42.564 42.059 0.109 0.000 1.224 648 L HN 0.515 nan 8.230 nan 0.000 0.429 649 H N 1.688 120.817 119.070 0.099 0.000 2.529 649 H HA 0.496 5.052 4.556 0.000 0.000 0.348 649 H C -1.208 174.217 175.328 0.163 0.000 1.152 649 H CA -0.598 55.510 56.048 0.100 0.000 1.202 649 H CB 1.544 31.357 29.762 0.085 0.000 1.562 649 H HN 0.677 nan 8.280 nan 0.000 0.515 650 D N 2.727 122.918 120.400 -0.349 0.000 2.317 650 D HA 0.379 5.019 4.640 0.000 0.000 0.234 650 D C -0.571 175.731 176.300 0.003 0.000 1.112 650 D CA -0.334 53.650 54.000 -0.028 0.000 0.840 650 D CB 0.910 41.721 40.800 0.018 0.000 1.078 650 D HN 0.612 nan 8.370 nan 0.000 0.486 651 A N 3.615 126.534 122.820 0.165 0.000 2.701 651 A HA 0.650 4.970 4.320 0.000 0.000 0.297 651 A C 1.258 178.911 177.584 0.116 0.000 1.197 651 A CA 0.188 52.328 52.037 0.170 0.000 0.963 651 A CB -0.549 18.562 19.000 0.185 0.000 1.175 651 A HN 0.951 nan 8.150 nan 0.000 0.531 652 G N 0.531 109.402 108.800 0.118 0.000 2.611 652 G HA2 0.054 4.014 3.960 0.000 0.000 0.301 652 G HA3 0.054 4.014 3.960 0.000 0.000 0.301 652 G C 0.679 175.608 174.900 0.048 0.000 1.233 652 G CA 0.250 45.393 45.100 0.072 0.000 0.993 652 G HN 1.931 nan 8.290 nan 0.000 0.553 653 A N -0.108 122.723 122.820 0.018 0.000 2.774 653 A HA 0.699 5.019 4.320 0.000 0.000 0.326 653 A C 0.731 178.326 177.584 0.018 0.000 1.478 653 A CA 1.326 53.370 52.037 0.011 0.000 1.099 653 A CB 0.095 19.101 19.000 0.010 0.000 1.148 653 A HN 2.147 nan 8.150 nan 0.000 0.519 654 S N 1.987 117.698 115.700 0.019 0.000 2.593 654 S HA 0.067 4.537 4.470 0.000 0.000 0.300 654 S C 1.335 175.929 174.600 -0.011 0.000 1.267 654 S CA -0.192 58.020 58.200 0.018 0.000 1.065 654 S CB -0.107 63.108 63.200 0.024 0.000 0.807 654 S HN 0.555 nan 8.310 nan 0.000 0.499 655 L N 3.543 124.759 121.223 -0.012 0.000 2.093 655 L HA 0.087 4.427 4.340 0.000 0.000 0.208 655 L C 1.257 178.087 176.870 -0.067 0.000 1.085 655 L CA 0.708 55.514 54.840 -0.056 0.000 0.755 655 L CB -0.195 41.842 42.059 -0.037 0.000 0.904 655 L HN 0.625 nan 8.230 nan 0.000 0.435 656 N N -1.369 117.311 118.700 -0.033 0.000 2.664 656 N HA 0.154 4.894 4.740 0.000 0.000 0.268 656 N C -2.285 173.221 175.510 -0.007 0.000 1.222 656 N CA -1.256 51.778 53.050 -0.028 0.000 0.805 656 N CB 1.541 40.013 38.487 -0.024 0.000 1.399 656 N HN -0.278 nan 8.380 nan 0.000 0.547 657 P HA -0.114 nan 4.420 nan 0.000 0.216 657 P C 1.101 178.403 177.300 0.003 0.000 1.153 657 P CA 1.532 64.633 63.100 0.002 0.000 0.858 657 P CB 0.377 32.072 31.700 -0.008 0.000 0.789 658 A N -0.604 122.215 122.820 -0.001 0.000 1.883 658 A HA -0.188 4.132 4.320 0.000 0.000 0.217 658 A C 2.252 179.843 177.584 0.012 0.000 1.186 658 A CA 1.623 53.661 52.037 0.002 0.000 0.624 658 A CB -1.666 17.338 19.000 0.005 0.000 0.822 658 A HN 0.114 nan 8.150 nan 0.000 0.444 659 L N -0.676 120.560 121.223 0.022 0.000 2.056 659 L HA -0.179 4.161 4.340 0.000 0.000 0.207 659 L C 2.091 178.980 176.870 0.032 0.000 1.078 659 L CA 1.485 56.348 54.840 0.039 0.000 0.749 659 L CB -0.757 41.331 42.059 0.048 0.000 0.901 659 L HN 0.291 nan 8.230 nan 0.000 0.433 660 D N 0.086 120.503 120.400 0.028 0.000 2.144 660 D HA -0.150 4.490 4.640 0.000 0.000 0.199 660 D C 2.223 178.533 176.300 0.017 0.000 0.984 660 D CA 0.969 54.990 54.000 0.034 0.000 0.834 660 D CB 0.014 40.847 40.800 0.055 0.000 0.955 660 D HN 0.138 nan 8.370 nan 0.000 0.465 661 I N 0.856 121.427 120.570 0.002 0.000 2.202 661 I HA -0.109 4.061 4.170 0.000 0.000 0.242 661 I C 2.527 178.606 176.117 -0.062 0.000 1.091 661 I CA 1.174 62.454 61.300 -0.034 0.000 1.368 661 I CB -1.513 36.459 38.000 -0.045 0.000 1.058 661 I HN 0.005 nan 8.210 nan 0.000 0.410 662 G N 0.280 109.059 108.800 -0.035 0.000 2.442 662 G HA2 -0.242 3.718 3.960 0.000 0.000 0.219 662 G HA3 -0.242 3.718 3.960 0.000 0.000 0.219 662 G C 1.548 176.451 174.900 0.004 0.000 1.141 662 G CA 0.313 45.399 45.100 -0.024 0.000 0.763 662 G HN 0.337 nan 8.290 nan 0.000 0.554 663 Q N 0.246 120.057 119.800 0.018 0.000 2.002 663 Q HA -0.074 4.266 4.340 0.000 0.000 0.204 663 Q C 2.793 178.803 176.000 0.017 0.000 0.988 663 Q CA 1.150 56.973 55.803 0.034 0.000 0.843 663 Q CB -0.434 28.318 28.738 0.025 0.000 0.908 663 Q HN 0.576 nan 8.270 nan 0.000 0.420 664 I N 0.980 121.527 120.570 -0.039 0.000 2.118 664 I HA -0.313 3.857 4.170 0.000 0.000 0.241 664 I C 2.348 178.481 176.117 0.026 0.000 1.070 664 I CA 1.358 62.614 61.300 -0.073 0.000 1.327 664 I CB -0.401 37.530 38.000 -0.114 0.000 1.034 664 I HN 0.270 nan 8.210 nan 0.000 0.405 665 E N 0.685 120.855 120.200 -0.050 0.000 2.048 665 E HA -0.263 4.087 4.350 0.000 0.000 0.202 665 E C 2.260 178.978 176.600 0.196 0.000 1.021 665 E CA 1.627 57.978 56.400 -0.082 0.000 0.825 665 E CB -0.493 29.010 29.700 -0.328 0.000 0.756 665 E HN 0.651 nan 8.360 nan 0.000 0.454 666 G N 0.504 109.382 108.800 0.131 0.000 2.402 666 G HA2 -0.191 3.769 3.960 0.000 0.000 0.216 666 G HA3 -0.191 3.769 3.960 0.000 0.000 0.216 666 G C 1.652 176.673 174.900 0.202 0.000 1.162 666 G CA 0.818 46.025 45.100 0.177 0.000 0.777 666 G HN 0.360 nan 8.290 nan 0.000 0.539 667 A N -0.062 122.875 122.820 0.194 0.000 1.933 667 A HA -0.019 4.301 4.320 0.000 0.000 0.218 667 A C 2.149 179.787 177.584 0.090 0.000 1.175 667 A CA 1.653 53.817 52.037 0.211 0.000 0.628 667 A CB -0.618 18.484 19.000 0.170 0.000 0.814 667 A HN 0.496 nan 8.150 nan 0.000 0.444 668 Y N 0.582 120.896 120.300 0.023 0.000 2.114 668 Y HA -0.188 4.362 4.550 0.000 0.000 0.284 668 Y C 2.322 178.188 175.900 -0.057 0.000 1.143 668 Y CA 2.143 60.232 58.100 -0.019 0.000 1.135 668 Y CB -0.416 38.111 38.460 0.112 0.000 0.980 668 Y HN 0.051 nan 8.280 nan 0.000 0.499 669 V N 0.870 120.856 119.914 0.120 0.000 2.392 669 V HA -0.348 3.772 4.120 0.000 0.000 0.249 669 V C 2.383 178.409 176.094 -0.113 0.000 1.059 669 V CA 2.375 64.673 62.300 -0.004 0.000 1.051 669 V CB -0.777 31.138 31.823 0.153 0.000 0.658 669 V HN 0.525 nan 8.190 nan 0.000 0.455 670 Q N -0.236 119.536 119.800 -0.047 0.000 2.123 670 Q HA -0.089 4.251 4.340 0.000 0.000 0.199 670 Q C 2.249 178.134 176.000 -0.191 0.000 0.966 670 Q CA 1.527 57.334 55.803 0.006 0.000 0.845 670 Q CB -0.302 28.558 28.738 0.204 0.000 0.907 670 Q HN 0.661 nan 8.270 nan 0.000 0.439 671 G N 0.244 108.631 108.800 -0.688 0.000 2.404 671 G HA2 -0.228 3.732 3.960 0.000 0.000 0.215 671 G HA3 -0.228 3.732 3.960 0.000 0.000 0.215 671 G C 1.416 175.982 174.900 -0.557 0.000 1.174 671 G CA 0.766 45.083 45.100 -1.305 0.000 0.780 671 G HN 0.460 nan 8.290 nan 0.000 0.537 672 A N 0.877 123.354 122.820 -0.571 0.000 1.898 672 A HA 0.192 4.512 4.320 0.000 0.000 0.216 672 A C 2.706 180.144 177.584 -0.244 0.000 1.181 672 A CA 1.994 53.769 52.037 -0.437 0.000 0.620 672 A CB -1.076 17.551 19.000 -0.622 0.000 0.819 672 A HN 0.529 nan 8.150 nan 0.000 0.442 673 G N -1.214 107.466 108.800 -0.199 0.000 2.440 673 G HA2 -0.326 3.634 3.960 0.000 0.000 0.218 673 G HA3 -0.326 3.634 3.960 0.000 0.000 0.218 673 G C 1.345 176.220 174.900 -0.041 0.000 1.154 673 G CA 1.220 46.251 45.100 -0.115 0.000 0.767 673 G HN 0.720 nan 8.290 nan 0.000 0.552 674 W N 1.206 122.393 121.300 -0.188 0.000 2.321 674 W HA -0.018 4.642 4.660 -0.000 0.000 0.306 674 W C 1.678 178.116 176.519 -0.136 0.000 1.217 674 W CA 1.168 58.429 57.345 -0.139 0.000 1.257 674 W CB -0.329 29.074 29.460 -0.095 0.000 1.145 674 W HN 0.125 nan 8.180 nan 0.000 0.509 675 L N 0.848 121.869 121.223 -0.336 0.000 2.653 675 L HA 0.163 4.503 4.340 0.000 0.000 0.231 675 L C 1.635 178.412 176.870 -0.155 0.000 1.153 675 L CA 0.839 55.392 54.840 -0.478 0.000 0.933 675 L CB -0.599 41.139 42.059 -0.535 0.000 1.175 675 L HN 0.082 nan 8.230 nan 0.000 0.473 676 T N -6.268 108.205 114.554 -0.134 0.000 3.431 676 T HA -0.017 4.333 4.350 0.000 0.000 0.207 676 T C 1.505 176.142 174.700 -0.104 0.000 0.979 676 T CA 0.719 62.767 62.100 -0.087 0.000 1.141 676 T CB -0.132 68.681 68.868 -0.091 0.000 1.278 676 T HN 0.072 nan 8.240 nan 0.000 0.334 677 T N -0.226 114.245 114.554 -0.138 0.000 3.014 677 T HA 0.298 4.648 4.350 0.000 0.000 0.250 677 T C 0.483 175.028 174.700 -0.258 0.000 1.060 677 T CA -0.174 61.826 62.100 -0.168 0.000 1.040 677 T CB -0.364 68.404 68.868 -0.165 0.000 0.971 677 T HN 0.455 nan 8.240 nan 0.000 0.497 678 E N 2.216 122.243 120.200 -0.289 0.000 2.104 678 E HA 0.253 4.603 4.350 0.000 0.000 0.278 678 E C -0.451 176.009 176.600 -0.234 0.000 1.127 678 E CA 0.025 56.134 56.400 -0.485 0.000 0.897 678 E CB 0.484 29.997 29.700 -0.312 0.000 1.043 678 E HN 0.534 nan 8.360 nan 0.000 0.410 679 E N 4.449 124.508 120.200 -0.236 0.000 2.241 679 E HA 0.230 4.580 4.350 0.000 0.000 0.263 679 E C -1.177 175.500 176.600 0.129 0.000 0.882 679 E CA -0.603 55.797 56.400 -0.000 0.000 0.769 679 E CB 1.002 30.684 29.700 -0.031 0.000 1.185 679 E HN 0.396 nan 8.360 nan 0.000 0.415 680 L N 4.393 125.715 121.223 0.165 0.000 2.265 680 L HA 0.414 4.754 4.340 0.000 0.000 0.288 680 L C -0.664 176.154 176.870 -0.086 0.000 1.058 680 L CA -0.725 54.111 54.840 -0.006 0.000 0.809 680 L CB 1.372 43.383 42.059 -0.080 0.000 1.179 680 L HN 0.333 nan 8.230 nan 0.000 0.429 681 V N 2.716 122.504 119.914 -0.209 0.000 2.540 681 V HA 0.433 4.553 4.120 0.000 0.000 0.302 681 V C -0.463 175.494 176.094 -0.228 0.000 1.035 681 V CA -0.671 61.587 62.300 -0.071 0.000 0.873 681 V CB 1.911 33.739 31.823 0.009 0.000 0.992 681 V HN 0.618 nan 8.190 nan 0.000 0.428 682 W N 2.329 123.664 121.300 0.059 0.000 2.578 682 W HA 0.454 5.114 4.660 -0.000 0.000 0.353 682 W C -0.138 176.401 176.519 0.035 0.000 1.088 682 W CA -0.447 56.921 57.345 0.039 0.000 1.235 682 W CB 2.103 31.579 29.460 0.028 0.000 1.362 682 W HN 0.741 nan 8.180 nan 0.000 0.592 683 D N -1.008 119.526 120.400 0.224 0.000 2.539 683 D HA -0.008 4.632 4.640 0.000 0.000 0.280 683 D C 1.494 177.857 176.300 0.105 0.000 1.208 683 D CA -0.004 54.081 54.000 0.141 0.000 1.088 683 D CB -0.338 40.487 40.800 0.042 0.000 1.149 683 D HN 0.487 nan 8.370 nan 0.000 0.596 684 H N -1.212 117.906 119.070 0.079 0.000 2.518 684 H HA -0.012 4.544 4.556 0.000 0.000 0.289 684 H C 0.989 176.340 175.328 0.037 0.000 1.051 684 H CA 1.030 57.109 56.048 0.052 0.000 1.280 684 H CB -0.818 28.964 29.762 0.033 0.000 1.380 684 H HN 0.448 nan 8.280 nan 0.000 0.566 685 C N -1.240 117.909 119.300 -0.253 0.000 2.976 685 C HA 0.750 5.210 4.460 0.000 0.000 0.274 685 C C 1.666 176.608 174.990 -0.079 0.000 1.487 685 C CA -0.242 58.681 59.018 -0.159 0.000 1.789 685 C CB -0.468 27.134 27.740 -0.230 0.000 2.771 685 C HN 0.711 nan 8.230 nan 0.000 0.551 686 G N 1.553 110.356 108.800 0.006 0.000 2.148 686 G HA2 -0.236 3.724 3.960 0.000 0.000 0.254 686 G HA3 -0.236 3.724 3.960 0.000 0.000 0.254 686 G C 0.007 175.072 174.900 0.275 0.000 0.981 686 G CA -0.118 45.044 45.100 0.104 0.000 0.670 686 G HN 0.753 nan 8.290 nan 0.000 0.528 687 R N -0.409 120.179 120.500 0.147 0.000 2.298 687 R HA 0.438 4.778 4.340 0.000 0.000 0.310 687 R C 0.288 176.644 176.300 0.093 0.000 1.068 687 R CA -0.829 55.321 56.100 0.085 0.000 0.957 687 R CB 1.027 31.296 30.300 -0.051 0.000 1.003 687 R HN 0.187 nan 8.270 nan 0.000 0.454 688 L N 4.667 125.879 121.223 -0.017 0.000 2.565 688 L HA -0.016 4.324 4.340 0.000 0.000 0.275 688 L C 0.948 177.727 176.870 -0.151 0.000 1.137 688 L CA 0.503 55.141 54.840 -0.336 0.000 0.915 688 L CB 0.521 42.374 42.059 -0.342 0.000 1.232 688 L HN 0.703 nan 8.230 nan 0.000 0.473 689 M N 1.875 121.405 119.600 -0.116 0.000 2.200 689 M HA 0.005 4.485 4.480 0.000 0.000 0.265 689 M C 1.002 177.363 176.300 0.103 0.000 1.066 689 M CA 0.887 56.206 55.300 0.032 0.000 1.127 689 M CB -1.384 31.230 32.600 0.023 0.000 1.379 689 M HN 0.687 nan 8.290 nan 0.000 0.420 690 T N -0.248 114.294 114.554 -0.019 0.000 2.997 690 T HA 0.278 4.628 4.350 0.000 0.000 0.311 690 T C 0.399 175.098 174.700 -0.001 0.000 1.079 690 T CA -0.576 61.522 62.100 -0.003 0.000 0.982 690 T CB -0.475 68.410 68.868 0.029 0.000 1.032 690 T HN 0.506 nan 8.240 nan 0.000 0.581 691 H N 0.982 120.020 119.070 -0.053 0.000 2.750 691 H HA 0.650 5.206 4.556 0.000 0.000 0.252 691 H C -0.340 174.998 175.328 0.016 0.000 1.176 691 H CA -0.652 55.365 56.048 -0.052 0.000 0.987 691 H CB -0.233 29.493 29.762 -0.061 0.000 1.810 691 H HN 0.722 nan 8.280 nan 0.000 0.630 692 A N 1.496 124.197 122.820 -0.199 0.000 2.602 692 A HA 0.521 4.841 4.320 0.000 0.000 0.290 692 A C -2.493 175.122 177.584 0.052 0.000 1.114 692 A CA -1.412 50.576 52.037 -0.082 0.000 0.683 692 A CB 1.530 20.390 19.000 -0.233 0.000 1.281 692 A HN -0.017 nan 8.150 nan 0.000 0.416 693 P HA 0.026 nan 4.420 nan 0.000 0.242 693 P C 1.111 178.398 177.300 -0.023 0.000 1.197 693 P CA 1.391 64.514 63.100 0.039 0.000 0.765 693 P CB 0.400 32.162 31.700 0.102 0.000 0.936 694 S N -0.570 115.115 115.700 -0.024 0.000 2.436 694 S HA -0.048 4.422 4.470 0.000 0.000 0.228 694 S C 1.521 176.091 174.600 -0.051 0.000 1.014 694 S CA 1.803 59.978 58.200 -0.042 0.000 0.950 694 S CB -0.658 62.513 63.200 -0.050 0.000 0.784 694 S HN 0.294 nan 8.310 nan 0.000 0.504 695 T N -2.875 111.649 114.554 -0.050 0.000 2.966 695 T HA 0.278 4.628 4.350 0.000 0.000 0.254 695 T C 0.057 174.760 174.700 0.005 0.000 0.961 695 T CA -0.323 61.756 62.100 -0.035 0.000 0.915 695 T CB -0.299 68.540 68.868 -0.049 0.000 1.186 695 T HN 0.287 nan 8.240 nan 0.000 0.505 696 Y N 2.701 122.932 120.300 -0.115 0.000 2.326 696 Y HA 0.579 5.129 4.550 -0.000 0.000 0.337 696 Y C -0.671 175.128 175.900 -0.168 0.000 1.023 696 Y CA -1.160 56.868 58.100 -0.120 0.000 1.143 696 Y CB 0.823 39.226 38.460 -0.095 0.000 1.183 696 Y HN -0.223 nan 8.280 nan 0.000 0.485 697 K N 8.606 128.687 120.400 -0.532 0.000 2.414 697 K HA 0.280 4.600 4.320 0.000 0.000 0.251 697 K C -0.497 175.828 176.600 -0.458 0.000 1.037 697 K CA -0.411 55.640 56.287 -0.394 0.000 0.980 697 K CB 0.231 32.575 32.500 -0.259 0.000 1.280 697 K HN 0.817 nan 8.250 nan 0.000 0.451 698 I N -0.628 119.708 120.570 -0.389 0.000 3.021 698 I HA 0.441 4.611 4.170 0.000 0.000 0.303 698 I C -1.917 174.088 176.117 -0.186 0.000 1.044 698 I CA -2.377 58.758 61.300 -0.275 0.000 1.266 698 I CB 0.107 37.963 38.000 -0.241 0.000 1.447 698 I HN 0.188 nan 8.210 nan 0.000 0.593 699 P HA 0.135 nan 4.420 nan 0.000 0.262 699 P C -0.597 176.671 177.300 -0.052 0.000 1.199 699 P CA 0.109 63.157 63.100 -0.087 0.000 0.763 699 P CB 0.536 32.195 31.700 -0.068 0.000 0.790 700 A N 3.063 125.864 122.820 -0.033 0.000 2.240 700 A HA 0.308 4.628 4.320 0.000 0.000 0.292 700 A C 0.998 178.628 177.584 0.076 0.000 1.121 700 A CA -0.432 51.622 52.037 0.029 0.000 0.851 700 A CB -0.229 18.787 19.000 0.027 0.000 1.167 700 A HN 0.520 nan 8.150 nan 0.000 0.503 701 F N 0.798 120.751 119.950 0.005 0.000 2.126 701 F HA -0.224 4.303 4.527 0.000 0.000 0.299 701 F C 2.695 178.508 175.800 0.022 0.000 1.096 701 F CA 2.778 60.792 58.000 0.023 0.000 1.255 701 F CB 0.018 39.033 39.000 0.025 0.000 0.997 701 F HN 0.531 nan 8.300 nan 0.000 0.479 702 S N -1.048 114.769 115.700 0.196 0.000 2.453 702 S HA -0.137 4.333 4.470 0.000 0.000 0.231 702 S C 1.552 176.154 174.600 0.003 0.000 1.005 702 S CA 1.077 59.343 58.200 0.109 0.000 0.949 702 S CB -0.554 62.710 63.200 0.106 0.000 0.774 702 S HN 0.387 nan 8.310 nan 0.000 0.510 703 D N 2.334 122.722 120.400 -0.020 0.000 2.350 703 D HA -0.030 4.610 4.640 0.000 0.000 0.216 703 D C 1.062 177.315 176.300 -0.078 0.000 0.968 703 D CA 0.389 54.358 54.000 -0.051 0.000 0.894 703 D CB -0.370 40.397 40.800 -0.056 0.000 0.909 703 D HN 0.744 nan 8.370 nan 0.000 0.520 704 R N 1.401 121.841 120.500 -0.100 0.000 2.698 704 R HA 0.169 4.509 4.340 0.000 0.000 0.266 704 R C -2.557 173.654 176.300 -0.148 0.000 1.026 704 R CA -1.018 55.012 56.100 -0.116 0.000 1.102 704 R CB -0.731 29.493 30.300 -0.127 0.000 0.978 704 R HN -0.197 nan 8.270 nan 0.000 0.436 705 P HA 0.001 nan 4.420 nan 0.000 0.264 705 P C 0.068 177.274 177.300 -0.157 0.000 1.193 705 P CA -0.207 62.720 63.100 -0.289 0.000 0.763 705 P CB 0.631 31.962 31.700 -0.615 0.000 0.810 706 R N 2.729 123.172 120.500 -0.095 0.000 2.083 706 R HA -0.033 4.307 4.340 0.000 0.000 0.237 706 R C 0.766 177.059 176.300 -0.011 0.000 1.137 706 R CA 1.321 57.398 56.100 -0.038 0.000 0.951 706 R CB -0.557 29.721 30.300 -0.036 0.000 0.851 706 R HN 0.516 nan 8.270 nan 0.000 0.434 707 I N 0.712 121.263 120.570 -0.031 0.000 2.330 707 I HA 0.201 4.371 4.170 0.000 0.000 0.289 707 I C -0.531 175.602 176.117 0.027 0.000 1.001 707 I CA -0.279 61.027 61.300 0.009 0.000 1.193 707 I CB 1.034 39.031 38.000 -0.006 0.000 1.345 707 I HN -0.112 nan 8.210 nan 0.000 0.461 708 F N 6.631 126.542 119.950 -0.065 0.000 2.434 708 F HA 0.419 4.946 4.527 0.000 0.000 0.367 708 F C -0.319 175.432 175.800 -0.082 0.000 1.093 708 F CA -0.965 56.978 58.000 -0.095 0.000 1.085 708 F CB 0.662 39.609 39.000 -0.088 0.000 1.322 708 F HN 0.477 nan 8.300 nan 0.000 0.452 709 N N 5.131 123.984 118.700 0.256 0.000 2.444 709 N HA 0.371 5.111 4.740 0.000 0.000 0.262 709 N C -1.118 174.437 175.510 0.076 0.000 0.974 709 N CA -0.297 52.815 53.050 0.103 0.000 0.933 709 N CB 2.518 41.041 38.487 0.059 0.000 1.137 709 N HN 0.182 nan 8.380 nan 0.000 0.498 710 V N 1.066 120.975 119.914 -0.007 0.000 2.483 710 V HA 0.742 4.862 4.120 0.000 0.000 0.297 710 V C -0.331 175.766 176.094 0.005 0.000 1.027 710 V CA -0.882 61.406 62.300 -0.020 0.000 0.855 710 V CB 1.412 33.160 31.823 -0.125 0.000 0.995 710 V HN 0.749 nan 8.190 nan 0.000 0.424 711 A N 5.526 128.376 122.820 0.050 0.000 2.371 711 A HA 0.876 5.196 4.320 0.000 0.000 0.311 711 A C -0.882 176.772 177.584 0.117 0.000 1.068 711 A CA -0.603 51.475 52.037 0.068 0.000 0.744 711 A CB 1.135 20.178 19.000 0.072 0.000 1.239 711 A HN 0.799 nan 8.150 nan 0.000 0.435 712 L N 2.608 123.893 121.223 0.104 0.000 2.349 712 L HA 0.200 4.540 4.340 0.000 0.000 0.275 712 L C -0.026 176.947 176.870 0.172 0.000 1.115 712 L CA -0.340 54.587 54.840 0.144 0.000 0.820 712 L CB 0.886 43.002 42.059 0.095 0.000 1.135 712 L HN 0.804 nan 8.230 nan 0.000 0.445 713 W N 5.273 126.585 121.300 0.020 0.000 2.433 713 W HA 0.141 4.801 4.660 0.000 0.000 0.331 713 W C -0.740 175.778 176.519 -0.001 0.000 1.110 713 W CA -0.582 56.762 57.345 -0.001 0.000 1.450 713 W CB 1.043 30.493 29.460 -0.017 0.000 1.348 713 W HN 0.526 nan 8.180 nan 0.000 0.415 714 D N 4.979 125.202 120.400 -0.295 0.000 2.380 714 D HA 0.192 4.832 4.640 0.000 0.000 0.230 714 D C -0.729 175.379 176.300 -0.321 0.000 1.154 714 D CA 0.484 54.355 54.000 -0.215 0.000 0.859 714 D CB 0.635 41.342 40.800 -0.155 0.000 1.045 714 D HN 0.356 nan 8.370 nan 0.000 0.495 715 Q N 3.031 122.740 119.800 -0.153 0.000 2.327 715 Q HA 0.287 4.627 4.340 0.000 0.000 0.265 715 Q C -2.552 173.447 176.000 -0.002 0.000 0.993 715 Q CA -1.909 53.839 55.803 -0.092 0.000 0.885 715 Q CB 2.394 31.104 28.738 -0.046 0.000 1.379 715 Q HN 0.295 nan 8.270 nan 0.000 0.408 716 P HA -0.088 nan 4.420 nan 0.000 0.266 716 P C -0.637 176.656 177.300 -0.012 0.000 1.193 716 P CA -0.040 63.053 63.100 -0.012 0.000 0.770 716 P CB 0.515 32.206 31.700 -0.015 0.000 0.836 717 N N 2.204 120.869 118.700 -0.058 0.000 2.497 717 N HA 0.022 4.762 4.740 0.000 0.000 0.268 717 N C 1.273 176.732 175.510 -0.085 0.000 1.171 717 N CA 0.181 53.160 53.050 -0.119 0.000 0.948 717 N CB 0.292 38.606 38.487 -0.288 0.000 1.069 717 N HN 0.224 nan 8.380 nan 0.000 0.460 718 R N 1.287 121.760 120.500 -0.044 0.000 2.091 718 R HA -0.076 4.264 4.340 0.000 0.000 0.238 718 R C -0.039 176.243 176.300 -0.030 0.000 1.136 718 R CA 1.093 57.186 56.100 -0.012 0.000 0.959 718 R CB 0.040 30.360 30.300 0.033 0.000 0.856 718 R HN 0.649 nan 8.270 nan 0.000 0.437 719 E N 1.231 121.393 120.200 -0.064 0.000 2.343 719 E HA 0.027 4.377 4.350 0.000 0.000 0.269 719 E C -0.457 176.094 176.600 -0.082 0.000 1.047 719 E CA 0.058 56.429 56.400 -0.047 0.000 0.874 719 E CB 0.680 30.375 29.700 -0.009 0.000 1.033 719 E HN 0.179 nan 8.360 nan 0.000 0.409 720 E N 1.858 122.033 120.200 -0.040 0.000 1.842 720 E HA 0.043 4.393 4.350 0.000 0.000 0.278 720 E C 0.071 176.623 176.600 -0.080 0.000 1.171 720 E CA -0.064 56.300 56.400 -0.059 0.000 1.127 720 E CB -0.193 29.487 29.700 -0.033 0.000 1.100 720 E HN 0.397 nan 8.360 nan 0.000 0.456 721 T N -1.197 113.281 114.554 -0.128 0.000 2.862 721 T HA 0.288 4.638 4.350 0.000 0.000 0.276 721 T C 0.478 175.071 174.700 -0.177 0.000 0.974 721 T CA -0.974 61.038 62.100 -0.146 0.000 0.966 721 T CB 1.070 69.837 68.868 -0.168 0.000 1.072 721 T HN 0.155 nan 8.240 nan 0.000 0.538 722 I N 1.755 122.216 120.570 -0.182 0.000 2.769 722 I HA 0.161 4.331 4.170 0.000 0.000 0.285 722 I C -0.081 176.042 176.117 0.009 0.000 1.173 722 I CA -0.736 60.472 61.300 -0.154 0.000 1.389 722 I CB -1.728 36.212 38.000 -0.100 0.000 1.404 722 I HN 0.723 nan 8.210 nan 0.000 0.544 723 F N 6.835 126.724 119.950 -0.101 0.000 3.079 723 F HA -0.318 4.209 4.527 -0.000 0.000 0.274 723 F C 1.121 176.873 175.800 -0.079 0.000 0.940 723 F CA 0.737 58.689 58.000 -0.079 0.000 0.932 723 F CB -1.109 37.850 39.000 -0.068 0.000 0.891 723 F HN 0.625 nan 8.300 nan 0.000 0.722 724 R N -1.871 118.624 120.500 -0.009 0.000 3.741 724 R HA -0.221 4.119 4.340 0.000 0.000 0.292 724 R C 0.490 176.762 176.300 -0.047 0.000 1.176 724 R CA 1.029 57.099 56.100 -0.050 0.000 0.794 724 R CB -2.507 27.775 30.300 -0.030 0.000 1.213 724 R HN 0.607 nan 8.270 nan 0.000 0.494 725 S N -0.558 115.127 115.700 -0.026 0.000 2.632 725 S HA 0.613 5.083 4.470 0.000 0.000 0.271 725 S C 0.298 174.854 174.600 -0.074 0.000 1.260 725 S CA -0.764 57.428 58.200 -0.014 0.000 1.010 725 S CB 2.481 65.700 63.200 0.032 0.000 0.965 725 S HN 0.163 nan 8.310 nan 0.000 0.534 726 K N 0.291 120.690 120.400 -0.002 0.000 2.221 726 K HA 0.639 4.959 4.320 0.000 0.000 0.243 726 K C -0.337 176.387 176.600 0.207 0.000 0.968 726 K CA -0.893 55.448 56.287 0.089 0.000 0.846 726 K CB 1.901 34.490 32.500 0.149 0.000 1.141 726 K HN 0.816 nan 8.250 nan 0.000 0.434 727 A N 1.152 124.169 122.820 0.328 0.000 2.488 727 A HA 0.130 4.450 4.320 0.000 0.000 0.249 727 A C 0.433 178.121 177.584 0.173 0.000 1.083 727 A CA -0.143 52.008 52.037 0.189 0.000 0.768 727 A CB 0.400 19.475 19.000 0.125 0.000 1.017 727 A HN 0.495 nan 8.150 nan 0.000 0.496 728 V N 3.245 123.233 119.914 0.123 0.000 3.253 728 V HA 0.259 4.379 4.120 0.000 0.000 0.320 728 V C 1.449 177.562 176.094 0.032 0.000 1.442 728 V CA 0.978 63.353 62.300 0.126 0.000 1.097 728 V CB -0.035 31.867 31.823 0.131 0.000 1.008 728 V HN 1.064 nan 8.190 nan 0.000 0.463 729 G N 0.099 108.903 108.800 0.008 0.000 2.425 729 G HA2 -0.111 3.849 3.960 0.000 0.000 0.213 729 G HA3 -0.111 3.849 3.960 0.000 0.000 0.213 729 G C 1.190 176.056 174.900 -0.057 0.000 1.201 729 G CA 1.075 46.164 45.100 -0.018 0.000 0.799 729 G HN 0.561 nan 8.290 nan 0.000 0.534 730 E N 0.321 120.423 120.200 -0.163 0.000 2.162 730 E HA 0.030 4.380 4.350 0.000 0.000 0.193 730 E C -0.290 175.998 176.600 -0.519 0.000 0.953 730 E CA 0.009 56.198 56.400 -0.351 0.000 0.849 730 E CB 0.051 29.441 29.700 -0.516 0.000 0.810 730 E HN 0.229 nan 8.360 nan 0.000 0.470 731 P HA -0.179 nan 4.420 nan 0.000 0.218 731 P C -1.677 175.585 177.300 -0.064 0.000 1.154 731 P CA 2.058 64.951 63.100 -0.345 0.000 0.872 731 P CB -0.894 30.865 31.700 0.098 0.000 0.790 732 P HA -0.082 nan 4.420 nan 0.000 0.245 732 P C 1.307 178.609 177.300 0.003 0.000 1.212 732 P CA 0.507 63.488 63.100 -0.199 0.000 0.774 732 P CB -0.554 30.839 31.700 -0.512 0.000 0.999 733 F N 1.138 121.015 119.950 -0.122 0.000 2.216 733 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 733 F C 1.680 177.461 175.800 -0.032 0.000 1.085 733 F CA 1.200 59.153 58.000 -0.078 0.000 1.326 733 F CB -0.541 38.377 39.000 -0.137 0.000 1.027 733 F HN -0.261 nan 8.300 nan 0.000 0.497 734 L N 0.023 121.308 121.223 0.104 0.000 2.551 734 L HA -0.094 4.246 4.340 0.000 0.000 0.228 734 L C 1.907 178.828 176.870 0.085 0.000 1.153 734 L CA 0.773 55.682 54.840 0.115 0.000 0.851 734 L CB -0.656 41.496 42.059 0.155 0.000 0.959 734 L HN 0.184 nan 8.230 nan 0.000 0.451 735 L N -0.985 120.291 121.223 0.089 0.000 2.275 735 L HA -0.092 4.248 4.340 0.000 0.000 0.215 735 L C 2.492 179.449 176.870 0.146 0.000 1.119 735 L CA 1.005 55.953 54.840 0.180 0.000 0.790 735 L CB -1.080 41.152 42.059 0.287 0.000 0.919 735 L HN 0.384 nan 8.230 nan 0.000 0.443 736 G N 0.334 109.053 108.800 -0.137 0.000 2.470 736 G HA2 -0.201 3.759 3.960 0.000 0.000 0.220 736 G HA3 -0.201 3.759 3.960 0.000 0.000 0.220 736 G C 1.567 176.382 174.900 -0.142 0.000 1.121 736 G CA 0.353 45.220 45.100 -0.388 0.000 0.766 736 G HN 0.338 nan 8.290 nan 0.000 0.553 737 I N 1.902 122.466 120.570 -0.010 0.000 2.423 737 I HA -0.233 3.937 4.170 0.000 0.000 0.254 737 I C 3.058 179.249 176.117 0.124 0.000 1.151 737 I CA 1.386 62.727 61.300 0.069 0.000 1.421 737 I CB -0.115 37.953 38.000 0.114 0.000 1.079 737 I HN 0.327 nan 8.210 nan 0.000 0.431 738 S N 1.087 116.860 115.700 0.123 0.000 2.402 738 S HA -0.098 4.372 4.470 0.000 0.000 0.229 738 S C 2.225 176.891 174.600 0.110 0.000 1.021 738 S CA 0.748 59.028 58.200 0.133 0.000 0.974 738 S CB -0.451 62.840 63.200 0.151 0.000 0.800 738 S HN 0.407 nan 8.310 nan 0.000 0.484 739 A N 1.087 123.957 122.820 0.084 0.000 1.930 739 A HA 0.099 4.419 4.320 0.000 0.000 0.217 739 A C 1.924 179.528 177.584 0.034 0.000 1.175 739 A CA 1.284 53.340 52.037 0.033 0.000 0.627 739 A CB -0.993 17.967 19.000 -0.066 0.000 0.815 739 A HN 0.565 nan 8.150 nan 0.000 0.443 740 F N 0.060 119.954 119.950 -0.093 0.000 2.146 740 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 740 F C 1.765 177.541 175.800 -0.040 0.000 1.096 740 F CA 1.288 59.231 58.000 -0.094 0.000 1.275 740 F CB -0.148 38.770 39.000 -0.136 0.000 1.008 740 F HN 0.133 nan 8.300 nan 0.000 0.480 741 L N 0.382 121.624 121.223 0.032 0.000 2.093 741 L HA -0.048 4.292 4.340 0.000 0.000 0.208 741 L C 2.688 179.550 176.870 -0.013 0.000 1.085 741 L CA 1.784 56.611 54.840 -0.021 0.000 0.755 741 L CB -1.877 40.227 42.059 0.074 0.000 0.904 741 L HN 0.238 nan 8.230 nan 0.000 0.435 742 A N -1.262 121.556 122.820 -0.003 0.000 1.930 742 A HA -0.162 4.158 4.320 0.000 0.000 0.217 742 A C 2.223 179.762 177.584 -0.075 0.000 1.175 742 A CA 1.245 53.276 52.037 -0.010 0.000 0.627 742 A CB -0.641 18.365 19.000 0.011 0.000 0.815 742 A HN 0.305 nan 8.150 nan 0.000 0.443 743 L N -0.719 120.428 121.223 -0.126 0.000 2.083 743 L HA -0.133 4.207 4.340 0.000 0.000 0.209 743 L C 2.337 179.065 176.870 -0.236 0.000 1.083 743 L CA 2.498 57.231 54.840 -0.178 0.000 0.752 743 L CB -0.935 41.000 42.059 -0.207 0.000 0.899 743 L HN 0.721 nan 8.230 nan 0.000 0.433 744 H N -1.514 117.314 119.070 -0.402 0.000 2.357 744 H HA -0.163 4.393 4.556 0.000 0.000 0.301 744 H C 1.989 177.151 175.328 -0.277 0.000 1.082 744 H CA 1.925 57.718 56.048 -0.425 0.000 1.342 744 H CB -0.005 29.438 29.762 -0.531 0.000 1.389 744 H HN 0.406 nan 8.280 nan 0.000 0.511 745 D N 0.013 120.307 120.400 -0.177 0.000 2.144 745 D HA -0.134 4.506 4.640 0.000 0.000 0.199 745 D C 2.217 178.406 176.300 -0.185 0.000 0.984 745 D CA 1.449 55.357 54.000 -0.154 0.000 0.834 745 D CB -0.458 40.331 40.800 -0.018 0.000 0.955 745 D HN 0.524 nan 8.370 nan 0.000 0.465 746 A N -0.593 122.131 122.820 -0.160 0.000 1.972 746 A HA -0.153 4.167 4.320 0.000 0.000 0.219 746 A C 2.501 179.989 177.584 -0.160 0.000 1.169 746 A CA 1.396 53.357 52.037 -0.127 0.000 0.635 746 A CB -0.864 18.074 19.000 -0.104 0.000 0.810 746 A HN 0.498 nan 8.150 nan 0.000 0.446 747 C N -1.447 117.700 119.300 -0.256 0.000 2.486 747 C HA 0.216 4.676 4.460 0.000 0.000 0.279 747 C C 3.248 178.067 174.990 -0.284 0.000 1.302 747 C CA 0.484 59.338 59.018 -0.273 0.000 1.720 747 C CB -1.095 26.433 27.740 -0.352 0.000 2.030 747 C HN 0.711 nan 8.230 nan 0.000 0.490 748 A N 0.380 122.965 122.820 -0.393 0.000 2.070 748 A HA 0.132 4.452 4.320 0.000 0.000 0.220 748 A C 2.028 179.516 177.584 -0.160 0.000 1.159 748 A CA 1.659 53.513 52.037 -0.305 0.000 0.656 748 A CB -0.522 18.269 19.000 -0.348 0.000 0.800 748 A HN 0.594 nan 8.150 nan 0.000 0.453 749 A N -1.997 120.742 122.820 -0.135 0.000 2.291 749 A HA 0.256 4.576 4.320 0.000 0.000 0.220 749 A C 1.294 178.844 177.584 -0.058 0.000 1.262 749 A CA 0.838 52.830 52.037 -0.076 0.000 0.867 749 A CB -0.931 18.038 19.000 -0.050 0.000 0.888 749 A HN 0.562 nan 8.150 nan 0.000 0.487 750 C N -2.033 117.226 119.300 -0.069 0.000 3.580 750 C HA 0.576 5.036 4.460 0.000 0.000 0.337 750 C C 1.245 176.218 174.990 -0.030 0.000 1.412 750 C CA 0.063 59.052 59.018 -0.048 0.000 1.797 750 C CB -0.250 27.456 27.740 -0.056 0.000 2.470 750 C HN 0.724 nan 8.230 nan 0.000 0.691 751 G N 0.794 109.577 108.800 -0.028 0.000 2.547 751 G HA2 0.444 4.404 3.960 0.000 0.000 0.291 751 G HA3 0.444 4.404 3.960 0.000 0.000 0.291 751 G C -2.504 172.380 174.900 -0.027 0.000 1.471 751 G CA -0.258 44.845 45.100 0.005 0.000 0.798 751 G HN -0.230 nan 8.290 nan 0.000 0.504 752 P HA -0.013 nan 4.420 nan 0.000 0.230 752 P C 0.135 177.321 177.300 -0.189 0.000 1.158 752 P CA 0.595 63.589 63.100 -0.176 0.000 0.769 752 P CB 0.044 31.577 31.700 -0.278 0.000 0.807 753 H N -0.841 118.239 119.070 0.017 0.000 2.551 753 H HA 0.042 4.598 4.556 0.000 0.000 0.358 753 H C 0.124 175.501 175.328 0.082 0.000 1.151 753 H CA -0.593 55.489 56.048 0.057 0.000 1.374 753 H CB 0.670 30.457 29.762 0.042 0.000 1.473 753 H HN 0.198 nan 8.280 nan 0.000 0.574 754 W N 4.982 126.324 121.300 0.071 0.000 2.397 754 W HA 0.024 4.684 4.660 -0.000 0.000 0.327 754 W C -2.161 174.377 176.519 0.031 0.000 1.421 754 W CA -1.577 55.770 57.345 0.003 0.000 1.288 754 W CB 0.525 29.965 29.460 -0.034 0.000 1.312 754 W HN 0.520 nan 8.180 nan 0.000 0.559 755 P HA -0.149 nan 4.420 nan 0.000 0.220 755 P C 0.022 177.007 177.300 -0.524 0.000 1.152 755 P CA 1.299 64.101 63.100 -0.497 0.000 0.812 755 P CB 0.101 31.459 31.700 -0.570 0.000 0.792 756 D N -1.765 118.021 120.400 -1.024 0.000 2.697 756 D HA -0.167 4.473 4.640 0.000 0.000 0.238 756 D C -0.477 175.752 176.300 -0.119 0.000 1.152 756 D CA 0.149 53.899 54.000 -0.416 0.000 0.666 756 D CB -1.326 39.524 40.800 0.084 0.000 1.037 756 D HN 0.009 nan 8.370 nan 0.000 0.423 757 L N 0.989 122.106 121.223 -0.177 0.000 2.490 757 L HA 0.190 4.530 4.340 0.000 0.000 0.274 757 L C 0.413 177.421 176.870 0.229 0.000 1.201 757 L CA 0.608 55.414 54.840 -0.057 0.000 0.869 757 L CB 0.711 42.616 42.059 -0.257 0.000 1.123 757 L HN 0.076 nan 8.230 nan 0.000 0.484 758 Q N 3.695 123.662 119.800 0.278 0.000 2.204 758 Q HA 0.678 5.018 4.340 0.000 0.000 0.254 758 Q C -0.698 175.558 176.000 0.427 0.000 0.981 758 Q CA -0.539 55.501 55.803 0.394 0.000 0.897 758 Q CB 1.627 30.503 28.738 0.230 0.000 1.273 758 Q HN 0.807 nan 8.270 nan 0.000 0.464 759 A N 2.382 125.326 122.820 0.206 0.000 2.305 759 A HA 0.673 4.993 4.320 0.000 0.000 0.322 759 A C -2.240 175.290 177.584 -0.090 0.000 1.187 759 A CA -1.486 50.490 52.037 -0.102 0.000 0.825 759 A CB 0.415 19.067 19.000 -0.579 0.000 1.164 759 A HN 0.405 nan 8.150 nan 0.000 0.498 760 P HA 0.291 nan 4.420 nan 0.000 0.274 760 P C -0.260 177.060 177.300 0.034 0.000 1.231 760 P CA -0.125 62.910 63.100 -0.108 0.000 0.790 760 P CB 1.211 32.841 31.700 -0.116 0.000 0.951 761 A N 1.976 124.854 122.820 0.096 0.000 3.126 761 A HA 0.322 4.642 4.320 0.000 0.000 0.268 761 A C 0.893 178.475 177.584 -0.002 0.000 1.605 761 A CA -0.290 51.798 52.037 0.085 0.000 1.305 761 A CB -1.493 17.561 19.000 0.089 0.000 1.160 761 A HN 0.588 nan 8.150 nan 0.000 0.609 762 T N -1.479 113.067 114.554 -0.015 0.000 2.856 762 T HA 0.242 4.592 4.350 0.000 0.000 0.306 762 T C -1.531 173.148 174.700 -0.035 0.000 1.062 762 T CA -1.058 61.019 62.100 -0.037 0.000 1.083 762 T CB 0.373 69.219 68.868 -0.037 0.000 0.984 762 T HN 0.165 nan 8.240 nan 0.000 0.542 763 P HA -0.205 nan 4.420 nan 0.000 0.219 763 P C 1.452 178.733 177.300 -0.031 0.000 1.153 763 P CA 1.498 64.575 63.100 -0.038 0.000 0.865 763 P CB 0.084 31.763 31.700 -0.036 0.000 0.788 764 E N -0.803 119.383 120.200 -0.024 0.000 2.028 764 E HA -0.169 4.181 4.350 0.000 0.000 0.191 764 E C 2.010 178.602 176.600 -0.013 0.000 0.988 764 E CA 1.195 57.586 56.400 -0.016 0.000 0.799 764 E CB -0.560 29.136 29.700 -0.007 0.000 0.755 764 E HN 0.067 nan 8.360 nan 0.000 0.447 765 A N 0.472 123.289 122.820 -0.006 0.000 1.978 765 A HA -0.139 4.181 4.320 0.000 0.000 0.220 765 A C 2.352 179.922 177.584 -0.023 0.000 1.170 765 A CA 1.402 53.441 52.037 0.004 0.000 0.636 765 A CB -0.540 18.478 19.000 0.031 0.000 0.810 765 A HN 0.237 nan 8.150 nan 0.000 0.448 766 V N -0.503 119.386 119.914 -0.042 0.000 2.307 766 V HA -0.203 3.917 4.120 0.000 0.000 0.245 766 V C 2.445 178.497 176.094 -0.071 0.000 1.045 766 V CA 1.830 64.086 62.300 -0.074 0.000 1.024 766 V CB -0.750 31.028 31.823 -0.076 0.000 0.651 766 V HN 0.580 nan 8.190 nan 0.000 0.449 767 L N 0.930 122.122 121.223 -0.051 0.000 2.042 767 L HA -0.124 4.216 4.340 0.000 0.000 0.210 767 L C 2.461 179.304 176.870 -0.045 0.000 1.076 767 L CA 2.353 57.166 54.840 -0.045 0.000 0.749 767 L CB -0.971 41.069 42.059 -0.032 0.000 0.893 767 L HN 0.241 nan 8.230 nan 0.000 0.432 768 A N -0.547 122.251 122.820 -0.037 0.000 1.883 768 A HA -0.172 4.148 4.320 0.000 0.000 0.217 768 A C 2.450 180.003 177.584 -0.052 0.000 1.186 768 A CA 2.060 54.078 52.037 -0.031 0.000 0.624 768 A CB -1.214 17.779 19.000 -0.012 0.000 0.822 768 A HN 0.575 nan 8.150 nan 0.000 0.444 769 A N -0.772 122.003 122.820 -0.075 0.000 1.930 769 A HA 0.061 4.381 4.320 0.000 0.000 0.217 769 A C 2.228 179.728 177.584 -0.139 0.000 1.175 769 A CA 1.635 53.596 52.037 -0.127 0.000 0.627 769 A CB -0.845 18.053 19.000 -0.169 0.000 0.815 769 A HN 0.370 nan 8.150 nan 0.000 0.443 770 V N 0.516 120.362 119.914 -0.113 0.000 2.261 770 V HA -0.267 3.853 4.120 0.000 0.000 0.246 770 V C 2.608 178.659 176.094 -0.073 0.000 1.047 770 V CA 2.181 64.422 62.300 -0.098 0.000 1.015 770 V CB -0.784 30.994 31.823 -0.076 0.000 0.642 770 V HN 0.524 nan 8.190 nan 0.000 0.446 771 R N -0.284 120.180 120.500 -0.061 0.000 2.189 771 R HA -0.067 4.273 4.340 0.000 0.000 0.223 771 R C 2.396 178.660 176.300 -0.059 0.000 1.092 771 R CA 0.873 56.943 56.100 -0.050 0.000 0.989 771 R CB -0.344 29.932 30.300 -0.041 0.000 0.876 771 R HN 0.532 nan 8.270 nan 0.000 0.457 772 R N 0.515 120.975 120.500 -0.066 0.000 2.062 772 R HA 0.012 4.352 4.340 0.000 0.000 0.229 772 R C 2.389 178.659 176.300 -0.050 0.000 1.128 772 R CA 1.226 57.285 56.100 -0.069 0.000 0.960 772 R CB -0.351 29.913 30.300 -0.060 0.000 0.855 772 R HN 0.145 nan 8.270 nan 0.000 0.432 773 A N 1.596 124.392 122.820 -0.040 0.000 1.908 773 A HA -0.197 4.123 4.320 0.000 0.000 0.218 773 A C 1.754 179.394 177.584 0.093 0.000 1.181 773 A CA 1.461 53.512 52.037 0.023 0.000 0.627 773 A CB -0.376 18.578 19.000 -0.077 0.000 0.818 773 A HN 0.331 nan 8.150 nan 0.000 0.445 774 E N -1.128 119.085 120.200 0.021 0.000 2.516 774 E HA 0.177 4.527 4.350 0.000 0.000 0.199 774 E C 1.000 177.615 176.600 0.025 0.000 1.069 774 E CA 0.202 56.621 56.400 0.032 0.000 0.876 774 E CB -0.324 29.371 29.700 -0.008 0.000 0.843 774 E HN 0.761 nan 8.360 nan 0.000 0.530 775 G N 2.457 111.222 108.800 -0.060 0.000 2.323 775 G HA2 -0.342 3.618 3.960 0.000 0.000 0.292 775 G HA3 -0.342 3.618 3.960 0.000 0.000 0.292 775 G C -0.124 174.704 174.900 -0.120 0.000 1.040 775 G CA 0.116 45.078 45.100 -0.231 0.000 0.942 775 G HN 0.206 nan 8.290 nan 0.000 0.506 776 R N 0.190 120.642 120.500 -0.080 0.000 2.522 776 R HA 0.604 4.944 4.340 0.000 0.000 0.290 776 R C 1.138 177.408 176.300 -0.051 0.000 1.216 776 R CA 0.112 56.181 56.100 -0.052 0.000 1.250 776 R CB 0.514 30.792 30.300 -0.036 0.000 1.143 776 R HN 1.505 nan 8.270 nan 0.000 0.553 777 A N 0.000 122.788 122.820 -0.053 0.000 2.254 777 A HA 0.000 4.320 4.320 0.000 0.000 0.244 777 A CA 0.000 52.013 52.037 -0.041 0.000 0.836 777 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486