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 2w3s_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 0.000 174.511 174.600 -0.149 0.000 1.055 2 S CA 0.000 58.125 58.200 -0.125 0.000 1.107 2 S CB 0.000 63.146 63.200 -0.090 0.000 0.593 3 V N 2.555 122.331 119.914 -0.230 0.000 2.872 3 V HA 0.299 4.419 4.120 -0.000 0.000 0.302 3 V C 1.908 177.874 176.094 -0.213 0.000 1.166 3 V CA 1.721 63.860 62.300 -0.269 0.000 1.298 3 V CB -0.165 31.296 31.823 -0.604 0.000 0.894 3 V HN 0.994 nan 8.190 nan 0.000 0.509 4 G N 3.005 111.721 108.800 -0.140 0.000 2.234 4 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 4 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 4 G C 0.294 175.148 174.900 -0.076 0.000 0.987 4 G CA 0.472 45.511 45.100 -0.103 0.000 0.625 4 G HN 0.668 nan 8.290 nan 0.000 0.532 5 K N 1.327 121.681 120.400 -0.077 0.000 2.168 5 K HA 0.412 4.732 4.320 -0.000 0.000 0.258 5 K C -2.015 174.562 176.600 -0.038 0.000 1.010 5 K CA -1.110 55.144 56.287 -0.055 0.000 0.929 5 K CB 1.210 33.677 32.500 -0.055 0.000 0.998 5 K HN 0.036 nan 8.250 nan 0.000 0.479 6 P HA 0.123 nan 4.420 nan 0.000 0.211 6 P C -0.660 176.635 177.300 -0.008 0.000 1.833 6 P CA -0.029 63.062 63.100 -0.014 0.000 0.938 6 P CB -0.028 31.665 31.700 -0.012 0.000 1.808 7 L N 2.016 123.232 121.223 -0.012 0.000 2.452 7 L HA 0.318 4.658 4.340 -0.000 0.000 0.267 7 L C -1.430 175.446 176.870 0.009 0.000 1.188 7 L CA -1.894 52.942 54.840 -0.006 0.000 0.821 7 L CB -0.055 41.993 42.059 -0.018 0.000 1.102 7 L HN 0.040 nan 8.230 nan 0.000 0.470 8 P HA 0.037 nan 4.420 nan 0.000 0.276 8 P C -0.625 176.716 177.300 0.069 0.000 1.261 8 P CA -0.452 62.680 63.100 0.053 0.000 0.800 8 P CB 0.476 32.207 31.700 0.051 0.000 1.066 9 H N 1.715 120.793 119.070 0.013 0.000 2.972 9 H HA -0.078 4.478 4.556 -0.000 0.000 0.343 9 H C 1.346 176.656 175.328 -0.030 0.000 1.054 9 H CA 0.989 57.045 56.048 0.014 0.000 1.412 9 H CB 0.482 30.275 29.762 0.051 0.000 1.385 9 H HN 0.549 nan 8.280 nan 0.000 0.600 10 D N 2.054 122.384 120.400 -0.118 0.000 2.228 10 D HA -0.145 4.495 4.640 -0.000 0.000 0.203 10 D C 0.270 176.596 176.300 0.045 0.000 0.988 10 D CA 1.056 55.046 54.000 -0.017 0.000 0.864 10 D CB 0.144 40.918 40.800 -0.043 0.000 0.928 10 D HN 0.245 nan 8.370 nan 0.000 0.469 11 S N -0.459 115.323 115.700 0.137 0.000 2.651 11 S HA 0.472 4.942 4.470 -0.000 0.000 0.246 11 S C 1.388 175.654 174.600 -0.557 0.000 1.039 11 S CA -0.023 58.040 58.200 -0.229 0.000 1.013 11 S CB 1.080 64.120 63.200 -0.266 0.000 0.861 11 S HN 0.458 nan 8.310 nan 0.000 0.485 12 A N 2.282 124.957 122.820 -0.241 0.000 1.933 12 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 12 A C 2.069 179.616 177.584 -0.062 0.000 1.175 12 A CA 1.368 53.314 52.037 -0.151 0.000 0.628 12 A CB -0.373 18.633 19.000 0.010 0.000 0.814 12 A HN 0.470 nan 8.150 nan 0.000 0.444 13 R N -0.453 120.017 120.500 -0.049 0.000 2.073 13 R HA -0.018 4.322 4.340 -0.000 0.000 0.229 13 R C 2.291 178.591 176.300 -0.001 0.000 1.120 13 R CA 1.292 57.386 56.100 -0.009 0.000 0.967 13 R CB -0.401 29.894 30.300 -0.007 0.000 0.862 13 R HN 0.406 nan 8.270 nan 0.000 0.436 14 A N 0.592 123.389 122.820 -0.039 0.000 1.940 14 A HA -0.192 4.127 4.320 -0.000 0.000 0.219 14 A C 1.764 179.411 177.584 0.104 0.000 1.176 14 A CA 1.576 53.611 52.037 -0.003 0.000 0.631 14 A CB -0.845 18.130 19.000 -0.042 0.000 0.814 14 A HN 0.576 nan 8.150 nan 0.000 0.446 15 H N -1.762 117.321 119.070 0.020 0.000 2.253 15 H HA -0.114 4.442 4.556 -0.000 0.000 0.296 15 H C 2.115 177.472 175.328 0.047 0.000 1.067 15 H CA 1.158 57.231 56.048 0.042 0.000 1.245 15 H CB -0.286 29.485 29.762 0.015 0.000 1.364 15 H HN 0.259 nan 8.280 nan 0.000 0.494 16 V N 1.345 121.367 119.914 0.180 0.000 2.688 16 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 16 V C 1.935 178.077 176.094 0.081 0.000 1.084 16 V CA 2.259 64.626 62.300 0.112 0.000 1.103 16 V CB -0.455 31.419 31.823 0.085 0.000 0.688 16 V HN 0.687 nan 8.190 nan 0.000 0.480 17 T N -3.697 110.902 114.554 0.074 0.000 3.092 17 T HA 0.358 4.708 4.350 -0.000 0.000 0.258 17 T C 1.308 176.043 174.700 0.058 0.000 1.031 17 T CA 0.523 62.655 62.100 0.054 0.000 0.925 17 T CB 0.554 69.444 68.868 0.037 0.000 1.036 17 T HN 1.018 nan 8.240 nan 0.000 0.544 18 G N 1.970 110.819 108.800 0.081 0.000 2.221 18 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.265 18 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.265 18 G C 0.473 175.410 174.900 0.061 0.000 1.041 18 G CA 0.543 45.693 45.100 0.084 0.000 0.807 18 G HN 0.610 nan 8.290 nan 0.000 0.502 19 Q N -0.695 119.135 119.800 0.049 0.000 2.378 19 Q HA 0.503 4.843 4.340 -0.000 0.000 0.216 19 Q C 1.614 177.605 176.000 -0.014 0.000 0.892 19 Q CA 0.410 56.222 55.803 0.015 0.000 0.931 19 Q CB 0.594 29.336 28.738 0.006 0.000 1.086 19 Q HN 0.887 nan 8.270 nan 0.000 0.528 20 A N 1.908 124.726 122.820 -0.002 0.000 2.520 20 A HA 0.199 4.518 4.320 -0.000 0.000 0.245 20 A C -0.339 177.075 177.584 -0.283 0.000 1.072 20 A CA 0.061 52.030 52.037 -0.113 0.000 0.761 20 A CB 0.130 19.130 19.000 0.000 0.000 1.004 20 A HN 0.186 nan 8.150 nan 0.000 0.499 21 R N 1.538 121.836 120.500 -0.337 0.000 2.346 21 R HA 0.502 4.842 4.340 -0.000 0.000 0.311 21 R C -1.275 174.716 176.300 -0.514 0.000 0.983 21 R CA -0.196 55.722 56.100 -0.304 0.000 0.880 21 R CB 1.042 31.248 30.300 -0.158 0.000 1.100 21 R HN 0.762 nan 8.270 nan 0.000 0.453 22 Y N 0.945 121.236 120.300 -0.015 0.000 2.545 22 Y HA 0.157 4.707 4.550 -0.000 0.000 0.324 22 Y C 1.550 177.425 175.900 -0.042 0.000 1.220 22 Y CA -0.790 57.294 58.100 -0.028 0.000 1.290 22 Y CB 0.652 39.092 38.460 -0.034 0.000 1.355 22 Y HN 0.449 nan 8.280 nan 0.000 0.516 23 L N 0.592 121.880 121.223 0.109 0.000 2.013 23 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 23 L C 1.629 178.510 176.870 0.018 0.000 1.073 23 L CA 2.216 57.073 54.840 0.029 0.000 0.753 23 L CB -0.277 41.793 42.059 0.018 0.000 0.890 23 L HN 0.817 nan 8.230 nan 0.000 0.432 24 D N -0.781 119.639 120.400 0.033 0.000 2.350 24 D HA -0.168 4.472 4.640 -0.000 0.000 0.216 24 D C 1.421 177.736 176.300 0.025 0.000 0.968 24 D CA 0.914 54.924 54.000 0.017 0.000 0.894 24 D CB 0.012 40.805 40.800 -0.012 0.000 0.909 24 D HN 0.491 nan 8.370 nan 0.000 0.520 25 D N -0.436 119.987 120.400 0.038 0.000 2.305 25 D HA -0.002 4.638 4.640 -0.000 0.000 0.206 25 D C 0.640 176.933 176.300 -0.012 0.000 0.974 25 D CA -0.008 54.006 54.000 0.023 0.000 0.871 25 D CB 0.132 40.954 40.800 0.036 0.000 0.947 25 D HN 0.299 nan 8.370 nan 0.000 0.516 26 L N 3.851 125.053 121.223 -0.036 0.000 2.601 26 L HA 0.046 4.386 4.340 -0.000 0.000 0.277 26 L C -1.809 175.035 176.870 -0.045 0.000 1.219 26 L CA -0.924 53.871 54.840 -0.074 0.000 0.915 26 L CB -0.381 41.597 42.059 -0.136 0.000 1.160 26 L HN -0.141 nan 8.230 nan 0.000 0.494 27 P HA 0.163 nan 4.420 nan 0.000 0.271 27 P C -0.791 176.495 177.300 -0.024 0.000 1.216 27 P CA -0.438 62.648 63.100 -0.022 0.000 0.776 27 P CB 1.060 32.746 31.700 -0.024 0.000 0.881 28 C N 1.255 120.552 119.300 -0.005 0.000 3.323 28 C HA 0.728 5.188 4.460 -0.000 0.000 0.324 28 C C -2.673 172.320 174.990 0.004 0.000 1.428 28 C CA -2.273 56.743 59.018 -0.004 0.000 1.368 28 C CB 0.125 27.863 27.740 -0.004 0.000 1.731 28 C HN 0.349 nan 8.230 nan 0.000 0.455 29 P HA 0.381 nan 4.420 nan 0.000 0.269 29 P C 0.577 177.883 177.300 0.010 0.000 1.215 29 P CA 0.113 63.216 63.100 0.005 0.000 0.780 29 P CB 0.484 32.186 31.700 0.002 0.000 0.898 30 A N 2.440 125.269 122.820 0.015 0.000 2.066 30 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 30 A C 1.466 179.066 177.584 0.027 0.000 1.157 30 A CA 1.067 53.120 52.037 0.026 0.000 0.670 30 A CB -0.951 18.064 19.000 0.025 0.000 0.804 30 A HN 0.709 nan 8.150 nan 0.000 0.453 31 N N 0.195 118.904 118.700 0.015 0.000 2.434 31 N HA -0.015 4.725 4.740 -0.000 0.000 0.196 31 N C -0.350 175.153 175.510 -0.010 0.000 1.183 31 N CA 0.507 53.564 53.050 0.011 0.000 0.849 31 N CB -0.992 37.502 38.487 0.011 0.000 0.992 31 N HN 0.120 nan 8.380 nan 0.000 0.460 32 T N 1.861 116.395 114.554 -0.034 0.000 2.888 32 T HA 0.177 4.527 4.350 -0.000 0.000 0.301 32 T C 0.601 175.177 174.700 -0.207 0.000 1.001 32 T CA -0.153 61.878 62.100 -0.114 0.000 1.147 32 T CB 0.758 69.541 68.868 -0.141 0.000 0.931 32 T HN 0.130 nan 8.240 nan 0.000 0.541 33 L N 3.339 124.434 121.223 -0.213 0.000 2.416 33 L HA 0.489 4.829 4.340 -0.000 0.000 0.262 33 L C 0.499 177.121 176.870 -0.414 0.000 1.093 33 L CA -1.004 53.724 54.840 -0.188 0.000 0.801 33 L CB 0.659 42.699 42.059 -0.030 0.000 1.191 33 L HN 0.592 nan 8.230 nan 0.000 0.459 34 H N 2.035 121.141 119.070 0.060 0.000 2.600 34 H HA 0.549 5.105 4.556 -0.000 0.000 0.357 34 H C -0.918 174.443 175.328 0.056 0.000 1.106 34 H CA -0.557 55.533 56.048 0.070 0.000 1.193 34 H CB 2.160 31.986 29.762 0.107 0.000 1.594 34 H HN 0.310 nan 8.280 nan 0.000 0.526 35 L N 1.336 122.639 121.223 0.135 0.000 2.330 35 L HA 0.856 5.196 4.340 -0.000 0.000 0.271 35 L C 0.078 176.936 176.870 -0.021 0.000 1.013 35 L CA -1.105 53.757 54.840 0.037 0.000 0.816 35 L CB 1.909 43.939 42.059 -0.049 0.000 1.287 35 L HN 0.572 nan 8.230 nan 0.000 0.435 36 A N 1.077 123.866 122.820 -0.053 0.000 2.539 36 A HA 0.764 5.083 4.320 -0.000 0.000 0.296 36 A C -1.385 176.145 177.584 -0.090 0.000 1.073 36 A CA -0.469 51.505 52.037 -0.105 0.000 0.700 36 A CB 1.320 20.277 19.000 -0.072 0.000 1.296 36 A HN 0.556 nan 8.150 nan 0.000 0.405 37 F N 0.652 120.555 119.950 -0.078 0.000 2.379 37 F HA 0.527 5.054 4.527 -0.000 0.000 0.332 37 F C 1.310 176.848 175.800 -0.437 0.000 1.096 37 F CA -0.371 57.496 58.000 -0.222 0.000 1.105 37 F CB 1.818 40.731 39.000 -0.144 0.000 1.189 37 F HN 0.689 nan 8.300 nan 0.000 0.515 38 G N 3.418 111.787 108.800 -0.718 0.000 2.322 38 G HA2 0.590 4.550 3.960 -0.000 0.000 0.309 38 G HA3 0.590 4.550 3.960 -0.000 0.000 0.309 38 G C -1.110 173.496 174.900 -0.490 0.000 1.121 38 G CA -0.592 43.954 45.100 -0.923 0.000 0.886 38 G HN 0.488 nan 8.290 nan 0.000 0.447 39 L N 1.539 122.612 121.223 -0.251 0.000 2.334 39 L HA 0.489 4.829 4.340 -0.000 0.000 0.275 39 L C 0.976 177.753 176.870 -0.154 0.000 1.036 39 L CA -0.972 53.730 54.840 -0.229 0.000 0.807 39 L CB 1.897 43.822 42.059 -0.224 0.000 1.231 39 L HN 0.551 nan 8.230 nan 0.000 0.438 40 S N -0.012 115.555 115.700 -0.222 0.000 2.533 40 S HA 0.063 4.533 4.470 -0.000 0.000 0.282 40 S C 0.964 175.431 174.600 -0.222 0.000 1.304 40 S CA -0.132 57.975 58.200 -0.155 0.000 1.063 40 S CB 0.542 63.566 63.200 -0.293 0.000 0.881 40 S HN 0.771 nan 8.310 nan 0.000 0.493 41 T N 1.313 115.762 114.554 -0.176 0.000 3.122 41 T HA 0.319 4.669 4.350 -0.000 0.000 0.250 41 T C 0.003 174.480 174.700 -0.372 0.000 1.067 41 T CA -0.315 61.652 62.100 -0.221 0.000 0.966 41 T CB -0.028 68.784 68.868 -0.093 0.000 1.002 41 T HN 0.535 nan 8.240 nan 0.000 0.542 42 E N 0.608 120.468 120.200 -0.566 0.000 2.183 42 E HA 0.654 5.004 4.350 -0.000 0.000 0.271 42 E C 0.686 177.076 176.600 -0.350 0.000 0.919 42 E CA -0.482 55.596 56.400 -0.536 0.000 0.781 42 E CB 1.905 31.102 29.700 -0.838 0.000 1.140 42 E HN 0.178 nan 8.360 nan 0.000 0.402 43 A N 2.159 124.842 122.820 -0.229 0.000 1.968 43 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 43 A C 0.984 178.489 177.584 -0.132 0.000 1.169 43 A CA 1.042 52.997 52.037 -0.137 0.000 0.638 43 A CB 0.310 19.262 19.000 -0.081 0.000 0.812 43 A HN 0.307 nan 8.150 nan 0.000 0.446 44 S N -1.724 113.878 115.700 -0.163 0.000 2.545 44 S HA 0.580 5.050 4.470 -0.000 0.000 0.259 44 S C -0.896 173.617 174.600 -0.146 0.000 1.092 44 S CA 0.208 58.322 58.200 -0.143 0.000 1.054 44 S CB 0.380 63.537 63.200 -0.071 0.000 1.146 44 S HN 1.502 nan 8.310 nan 0.000 0.447 45 A N 2.869 125.593 122.820 -0.160 0.000 2.608 45 A HA 0.912 5.232 4.320 -0.000 0.000 0.292 45 A C -0.590 176.969 177.584 -0.041 0.000 1.066 45 A CA -0.239 51.753 52.037 -0.075 0.000 0.676 45 A CB 0.919 19.884 19.000 -0.059 0.000 1.277 45 A HN 1.528 nan 8.150 nan 0.000 0.413 46 A N 0.761 123.586 122.820 0.008 0.000 2.327 46 A HA 0.682 5.002 4.320 -0.000 0.000 0.283 46 A C -0.229 177.384 177.584 0.048 0.000 1.127 46 A CA -0.320 51.722 52.037 0.009 0.000 0.810 46 A CB -0.071 18.931 19.000 0.004 0.000 1.066 46 A HN 0.741 nan 8.150 nan 0.000 0.492 47 I N 2.385 122.963 120.570 0.012 0.000 2.352 47 I HA 0.157 4.327 4.170 -0.000 0.000 0.290 47 I C 1.025 177.105 176.117 -0.062 0.000 1.036 47 I CA -0.068 61.203 61.300 -0.047 0.000 1.336 47 I CB 1.372 39.331 38.000 -0.069 0.000 1.407 47 I HN 0.779 nan 8.210 nan 0.000 0.497 48 T N 3.908 118.406 114.554 -0.092 0.000 3.042 48 T HA 0.197 4.547 4.350 -0.000 0.000 0.245 48 T C 0.582 175.235 174.700 -0.078 0.000 1.029 48 T CA 0.265 62.327 62.100 -0.065 0.000 1.120 48 T CB 0.464 69.303 68.868 -0.047 0.000 0.917 48 T HN 0.781 nan 8.240 nan 0.000 0.467 49 G N 0.606 109.335 108.800 -0.119 0.000 2.659 49 G HA2 0.598 4.558 3.960 -0.000 0.000 0.296 49 G HA3 0.598 4.558 3.960 -0.000 0.000 0.296 49 G C -2.168 172.644 174.900 -0.147 0.000 1.369 49 G CA -0.388 44.645 45.100 -0.112 0.000 0.937 49 G HN 0.148 nan 8.290 nan 0.000 0.485 50 L N 1.751 122.901 121.223 -0.122 0.000 2.514 50 L HA 0.435 4.775 4.340 -0.000 0.000 0.257 50 L C -1.127 175.659 176.870 -0.140 0.000 1.101 50 L CA -0.872 53.886 54.840 -0.136 0.000 0.911 50 L CB 1.476 43.471 42.059 -0.107 0.000 1.162 50 L HN 0.506 nan 8.230 nan 0.000 0.477 51 D N 3.548 123.862 120.400 -0.144 0.000 2.393 51 D HA 0.201 4.841 4.640 -0.000 0.000 0.232 51 D C 0.786 176.969 176.300 -0.195 0.000 1.192 51 D CA 0.020 53.937 54.000 -0.140 0.000 0.882 51 D CB 0.770 41.506 40.800 -0.107 0.000 1.038 51 D HN 0.542 nan 8.370 nan 0.000 0.499 52 L N 2.882 123.970 121.223 -0.224 0.000 2.629 52 L HA 0.113 4.453 4.340 -0.000 0.000 0.230 52 L C 1.650 178.396 176.870 -0.207 0.000 1.151 52 L CA -0.039 54.618 54.840 -0.306 0.000 0.924 52 L CB 0.084 41.937 42.059 -0.344 0.000 1.137 52 L HN 0.295 nan 8.230 nan 0.000 0.457 53 E N 1.249 121.362 120.200 -0.145 0.000 2.107 53 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 53 E C -0.691 175.859 176.600 -0.084 0.000 0.982 53 E CA 1.117 57.455 56.400 -0.103 0.000 0.809 53 E CB -0.614 29.039 29.700 -0.079 0.000 0.756 53 E HN 0.267 nan 8.360 nan 0.000 0.459 54 P HA -0.090 nan 4.420 nan 0.000 0.223 54 P C 1.021 178.291 177.300 -0.050 0.000 1.151 54 P CA 0.711 63.778 63.100 -0.055 0.000 0.787 54 P CB 0.181 31.852 31.700 -0.048 0.000 0.788 55 V N 0.513 120.376 119.914 -0.085 0.000 2.239 55 V HA -0.201 3.919 4.120 -0.000 0.000 0.242 55 V C 2.431 178.500 176.094 -0.042 0.000 1.038 55 V CA 1.619 63.880 62.300 -0.065 0.000 1.002 55 V CB -1.096 30.628 31.823 -0.164 0.000 0.641 55 V HN 0.023 nan 8.190 nan 0.000 0.449 56 R N 0.209 120.667 120.500 -0.071 0.000 2.154 56 R HA -0.243 4.097 4.340 -0.000 0.000 0.248 56 R C 2.055 178.337 176.300 -0.031 0.000 1.155 56 R CA 1.922 57.991 56.100 -0.053 0.000 0.979 56 R CB -0.385 29.872 30.300 -0.072 0.000 0.869 56 R HN 0.648 nan 8.270 nan 0.000 0.452 57 E N 0.259 120.440 120.200 -0.030 0.000 2.442 57 E HA 0.030 4.380 4.350 -0.000 0.000 0.195 57 E C 0.336 176.932 176.600 -0.007 0.000 1.030 57 E CA -0.201 56.187 56.400 -0.020 0.000 0.869 57 E CB 0.357 30.043 29.700 -0.023 0.000 0.857 57 E HN 0.027 nan 8.360 nan 0.000 0.505 58 S N 1.657 117.356 115.700 -0.002 0.000 2.572 58 S HA 0.093 4.563 4.470 -0.000 0.000 0.279 58 S C -2.343 172.266 174.600 0.015 0.000 1.341 58 S CA -1.564 56.641 58.200 0.010 0.000 1.043 58 S CB 0.458 63.670 63.200 0.019 0.000 0.887 58 S HN -0.153 nan 8.310 nan 0.000 0.516 59 P HA 0.130 nan 4.420 nan 0.000 0.266 59 P C 0.928 178.245 177.300 0.029 0.000 1.186 59 P CA 1.255 64.367 63.100 0.020 0.000 0.767 59 P CB 0.046 31.757 31.700 0.019 0.000 0.820 60 G N 0.566 109.385 108.800 0.031 0.000 2.220 60 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.269 60 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.269 60 G C 0.133 175.064 174.900 0.051 0.000 0.977 60 G CA 0.157 45.283 45.100 0.044 0.000 0.634 60 G HN 0.554 nan 8.290 nan 0.000 0.539 61 V N 2.271 122.210 119.914 0.043 0.000 2.488 61 V HA 0.345 4.465 4.120 -0.000 0.000 0.277 61 V C 1.545 177.662 176.094 0.038 0.000 1.046 61 V CA -0.202 62.128 62.300 0.049 0.000 0.986 61 V CB 1.369 33.216 31.823 0.041 0.000 0.989 61 V HN 0.200 nan 8.190 nan 0.000 0.475 62 I N 3.137 123.739 120.570 0.053 0.000 3.526 62 I HA 0.406 4.576 4.170 -0.000 0.000 0.294 62 I C 0.866 176.995 176.117 0.019 0.000 1.229 62 I CA 0.806 62.132 61.300 0.042 0.000 1.408 62 I CB 0.211 38.248 38.000 0.062 0.000 1.127 62 I HN 0.727 nan 8.210 nan 0.000 0.439 63 A N 0.157 122.991 122.820 0.024 0.000 2.597 63 A HA 0.676 4.996 4.320 -0.000 0.000 0.292 63 A C -1.517 176.015 177.584 -0.087 0.000 1.057 63 A CA -0.380 51.598 52.037 -0.099 0.000 0.674 63 A CB 1.549 20.481 19.000 -0.113 0.000 1.278 63 A HN -0.200 nan 8.150 nan 0.000 0.416 64 V N 0.891 120.617 119.914 -0.313 0.000 2.686 64 V HA 0.698 4.818 4.120 -0.000 0.000 0.306 64 V C -1.419 174.504 176.094 -0.284 0.000 1.065 64 V CA -0.325 61.917 62.300 -0.096 0.000 0.894 64 V CB 1.573 33.348 31.823 -0.080 0.000 1.004 64 V HN 0.755 nan 8.190 nan 0.000 0.424 65 F N 1.343 121.402 119.950 0.182 0.000 2.546 65 F HA 0.806 5.333 4.527 -0.000 0.000 0.320 65 F C 0.514 176.432 175.800 0.196 0.000 1.076 65 F CA -0.431 57.665 58.000 0.160 0.000 0.928 65 F CB 2.607 41.704 39.000 0.161 0.000 1.189 65 F HN 0.368 nan 8.300 nan 0.000 0.465 66 T N 0.228 114.979 114.554 0.328 0.000 2.887 66 T HA 0.520 4.870 4.350 -0.000 0.000 0.292 66 T C 0.784 175.605 174.700 0.202 0.000 1.087 66 T CA -0.082 62.157 62.100 0.231 0.000 1.009 66 T CB 1.835 70.779 68.868 0.126 0.000 1.203 66 T HN 0.660 nan 8.240 nan 0.000 0.518 67 A N 0.754 123.664 122.820 0.149 0.000 1.978 67 A HA 0.101 4.421 4.320 -0.000 0.000 0.220 67 A C 2.201 179.847 177.584 0.105 0.000 1.170 67 A CA 1.995 54.104 52.037 0.120 0.000 0.636 67 A CB -0.909 18.149 19.000 0.097 0.000 0.810 67 A HN 0.878 nan 8.150 nan 0.000 0.448 68 A N -1.151 121.723 122.820 0.091 0.000 2.206 68 A HA 0.012 4.332 4.320 -0.000 0.000 0.211 68 A C 1.425 179.056 177.584 0.077 0.000 1.158 68 A CA 1.141 53.218 52.037 0.067 0.000 0.761 68 A CB -0.184 18.842 19.000 0.044 0.000 0.801 68 A HN 0.455 nan 8.150 nan 0.000 0.473 69 D N -0.497 119.978 120.400 0.125 0.000 2.349 69 D HA 0.143 4.783 4.640 -0.000 0.000 0.214 69 D C -0.044 176.379 176.300 0.205 0.000 1.063 69 D CA 0.155 54.257 54.000 0.170 0.000 0.847 69 D CB 0.243 41.187 40.800 0.241 0.000 0.933 69 D HN 0.347 nan 8.370 nan 0.000 0.513 70 L N 3.138 124.454 121.223 0.154 0.000 2.342 70 L HA 0.125 4.465 4.340 -0.000 0.000 0.285 70 L C -0.913 176.003 176.870 0.077 0.000 1.095 70 L CA -1.295 53.621 54.840 0.127 0.000 0.843 70 L CB 0.943 43.070 42.059 0.113 0.000 1.201 70 L HN -0.196 nan 8.230 nan 0.000 0.445 71 P HA -0.170 nan 4.420 nan 0.000 0.216 71 P C 0.288 177.405 177.300 -0.305 0.000 1.154 71 P CA 1.717 64.779 63.100 -0.063 0.000 0.865 71 P CB 0.312 32.067 31.700 0.091 0.000 0.789 72 H N -2.049 117.059 119.070 0.063 0.000 4.854 72 H HA 0.276 4.832 4.556 -0.000 0.000 0.255 72 H C -0.031 175.343 175.328 0.076 0.000 1.334 72 H CA -0.575 55.513 56.048 0.066 0.000 0.630 72 H CB -0.805 28.995 29.762 0.063 0.000 1.417 72 H HN -0.204 nan 8.280 nan 0.000 0.481 73 D N 1.128 121.681 120.400 0.255 0.000 2.424 73 D HA 0.057 4.697 4.640 -0.000 0.000 0.244 73 D C -0.250 176.120 176.300 0.117 0.000 1.134 73 D CA 0.168 54.267 54.000 0.165 0.000 0.881 73 D CB 0.305 41.212 40.800 0.178 0.000 1.191 73 D HN 0.275 nan 8.370 nan 0.000 0.445 74 N N 2.265 121.018 118.700 0.088 0.000 2.955 74 N HA 0.191 4.931 4.740 -0.000 0.000 0.242 74 N C -1.772 173.766 175.510 0.047 0.000 1.123 74 N CA -0.487 52.605 53.050 0.071 0.000 0.949 74 N CB 0.081 38.617 38.487 0.083 0.000 1.214 74 N HN 0.206 nan 8.380 nan 0.000 0.504 75 D N 1.106 121.510 120.400 0.007 0.000 2.419 75 D HA 0.296 4.936 4.640 -0.000 0.000 0.219 75 D C -0.510 175.722 176.300 -0.113 0.000 1.349 75 D CA -0.429 53.548 54.000 -0.039 0.000 0.964 75 D CB 0.876 41.654 40.800 -0.038 0.000 1.463 75 D HN 0.268 nan 8.370 nan 0.000 0.573 76 A N 2.458 125.170 122.820 -0.179 0.000 2.308 76 A HA 0.251 4.571 4.320 -0.000 0.000 0.217 76 A C 0.968 178.454 177.584 -0.162 0.000 1.216 76 A CA -0.122 51.752 52.037 -0.272 0.000 0.864 76 A CB 0.206 18.753 19.000 -0.755 0.000 0.902 76 A HN 0.337 nan 8.150 nan 0.000 0.499 77 S N 1.578 117.198 115.700 -0.134 0.000 2.488 77 S HA 0.274 4.744 4.470 -0.000 0.000 0.278 77 S C -1.163 173.355 174.600 -0.136 0.000 1.259 77 S CA -1.134 56.993 58.200 -0.122 0.000 1.061 77 S CB 0.741 63.861 63.200 -0.133 0.000 0.910 77 S HN 0.333 nan 8.310 nan 0.000 0.491 78 P HA 0.122 nan 4.420 nan 0.000 0.237 78 P C 0.096 177.353 177.300 -0.072 0.000 1.178 78 P CA 0.287 63.336 63.100 -0.084 0.000 0.766 78 P CB 0.016 31.709 31.700 -0.011 0.000 0.876 79 A N 0.741 123.507 122.820 -0.090 0.000 2.248 79 A HA 0.537 4.857 4.320 -0.000 0.000 0.316 79 A C -1.351 176.187 177.584 -0.078 0.000 1.101 79 A CA -1.483 50.507 52.037 -0.078 0.000 0.875 79 A CB -0.224 18.707 19.000 -0.115 0.000 1.207 79 A HN -0.120 nan 8.150 nan 0.000 0.504 80 P HA -0.052 nan 4.420 nan 0.000 0.215 80 P C 0.733 178.007 177.300 -0.043 0.000 1.157 80 P CA 1.550 64.627 63.100 -0.038 0.000 0.863 80 P CB -0.072 31.620 31.700 -0.013 0.000 0.787 81 S N -0.908 114.768 115.700 -0.039 0.000 2.610 81 S HA 0.390 4.860 4.470 -0.000 0.000 0.273 81 S C -2.416 172.157 174.600 -0.046 0.000 1.274 81 S CA -1.457 56.727 58.200 -0.027 0.000 1.023 81 S CB -0.247 62.953 63.200 -0.000 0.000 0.962 81 S HN -0.148 nan 8.310 nan 0.000 0.523 82 P HA -0.017 nan 4.420 nan 0.000 0.270 82 P C -0.586 176.686 177.300 -0.047 0.000 1.167 82 P CA 0.772 63.864 63.100 -0.013 0.000 0.759 82 P CB 0.062 31.779 31.700 0.028 0.000 0.777 83 E N 2.716 122.901 120.200 -0.024 0.000 2.499 83 E HA 0.218 4.568 4.350 -0.000 0.000 0.327 83 E C -2.812 173.865 176.600 0.128 0.000 0.929 83 E CA -1.941 54.452 56.400 -0.012 0.000 0.788 83 E CB 1.236 30.842 29.700 -0.157 0.000 1.452 83 E HN 0.170 nan 8.360 nan 0.000 0.387 84 P HA 0.003 nan 4.420 nan 0.000 0.271 84 P C 0.707 178.132 177.300 0.208 0.000 1.218 84 P CA -0.281 62.939 63.100 0.200 0.000 0.780 84 P CB 1.630 33.462 31.700 0.219 0.000 0.901 85 V N 2.262 122.228 119.914 0.086 0.000 2.346 85 V HA -0.064 4.056 4.120 -0.000 0.000 0.244 85 V C 1.294 177.408 176.094 0.033 0.000 1.037 85 V CA 1.428 63.763 62.300 0.058 0.000 1.029 85 V CB -0.541 31.291 31.823 0.015 0.000 0.663 85 V HN 0.403 nan 8.190 nan 0.000 0.454 86 L N 0.553 121.802 121.223 0.044 0.000 2.307 86 L HA 0.652 4.992 4.340 -0.000 0.000 0.284 86 L C 0.310 177.211 176.870 0.052 0.000 1.023 86 L CA -0.743 54.105 54.840 0.013 0.000 0.810 86 L CB 1.381 43.488 42.059 0.080 0.000 1.231 86 L HN 0.179 nan 8.230 nan 0.000 0.423 87 A N 1.843 124.671 122.820 0.012 0.000 2.580 87 A HA 0.207 4.527 4.320 -0.000 0.000 0.244 87 A C 0.598 178.222 177.584 0.066 0.000 1.045 87 A CA 0.237 52.294 52.037 0.033 0.000 0.761 87 A CB -0.399 18.584 19.000 -0.028 0.000 0.962 87 A HN 0.720 nan 8.150 nan 0.000 0.512 88 T N 0.979 115.591 114.554 0.097 0.000 3.145 88 T HA 0.541 4.891 4.350 -0.000 0.000 0.362 88 T C 1.164 175.909 174.700 0.075 0.000 1.340 88 T CA 0.291 62.445 62.100 0.090 0.000 1.069 88 T CB 0.438 69.372 68.868 0.109 0.000 1.129 88 T HN 2.352 nan 8.240 nan 0.000 0.585 89 G N 2.974 111.800 108.800 0.044 0.000 2.347 89 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.247 89 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.247 89 G C -0.102 174.801 174.900 0.005 0.000 1.037 89 G CA 0.481 45.596 45.100 0.025 0.000 0.622 89 G HN 1.070 nan 8.290 nan 0.000 0.521 90 E N -1.215 118.979 120.200 -0.009 0.000 2.458 90 E HA 0.710 5.060 4.350 -0.000 0.000 0.278 90 E C -0.567 175.917 176.600 -0.193 0.000 1.004 90 E CA -0.762 55.582 56.400 -0.093 0.000 0.823 90 E CB 2.323 31.940 29.700 -0.138 0.000 1.396 90 E HN 1.148 nan 8.360 nan 0.000 0.463 91 V N -1.849 117.870 119.914 -0.324 0.000 2.823 91 V HA 0.504 4.623 4.120 -0.000 0.000 0.312 91 V C -0.414 175.326 176.094 -0.591 0.000 1.072 91 V CA -0.537 61.533 62.300 -0.383 0.000 0.937 91 V CB 1.697 33.373 31.823 -0.245 0.000 1.013 91 V HN 0.907 nan 8.190 nan 0.000 0.430 92 H N 3.041 121.933 119.070 -0.297 0.000 3.360 92 H HA 0.391 4.947 4.556 -0.000 0.000 0.262 92 H C -0.246 175.015 175.328 -0.111 0.000 1.149 92 H CA 0.840 56.786 56.048 -0.169 0.000 1.181 92 H CB 1.393 31.115 29.762 -0.066 0.000 1.564 92 H HN 0.789 nan 8.280 nan 0.000 0.565 93 F N -1.362 118.377 119.950 -0.352 0.000 2.741 93 F HA 0.479 5.006 4.527 -0.000 0.000 0.311 93 F C -1.693 173.968 175.800 -0.232 0.000 1.149 93 F CA -1.362 56.483 58.000 -0.259 0.000 0.930 93 F CB 0.901 39.752 39.000 -0.248 0.000 1.312 93 F HN -0.346 nan 8.300 nan 0.000 0.450 94 V N 2.991 122.798 119.914 -0.178 0.000 2.397 94 V HA 0.515 4.635 4.120 -0.000 0.000 0.262 94 V C 0.784 176.668 176.094 -0.350 0.000 1.047 94 V CA 1.024 63.163 62.300 -0.268 0.000 1.003 94 V CB -0.217 31.558 31.823 -0.080 0.000 1.037 94 V HN 1.475 nan 8.190 nan 0.000 0.480 95 G N 3.598 112.015 108.800 -0.638 0.000 2.367 95 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.181 95 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.181 95 G C 0.268 174.638 174.900 -0.884 0.000 1.000 95 G CA -0.155 44.597 45.100 -0.579 0.000 0.693 95 G HN 0.581 nan 8.290 nan 0.000 0.480 96 Q N 1.957 120.887 119.800 -1.449 0.000 2.271 96 Q HA 0.327 4.667 4.340 -0.000 0.000 0.273 96 Q C -2.267 173.407 176.000 -0.542 0.000 1.051 96 Q CA -1.376 53.798 55.803 -1.048 0.000 0.901 96 Q CB 0.857 28.978 28.738 -1.029 0.000 1.174 96 Q HN 0.183 nan 8.270 nan 0.000 0.385 97 P HA -0.010 nan 4.420 nan 0.000 0.268 97 P C -0.240 176.848 177.300 -0.355 0.000 1.204 97 P CA 0.585 63.359 63.100 -0.542 0.000 0.768 97 P CB 0.668 31.652 31.700 -1.192 0.000 0.842 98 I N 2.223 122.637 120.570 -0.260 0.000 3.136 98 I HA 0.138 4.308 4.170 -0.000 0.000 0.262 98 I C 0.776 176.956 176.117 0.106 0.000 1.132 98 I CA 0.540 61.809 61.300 -0.051 0.000 1.450 98 I CB 0.108 38.140 38.000 0.053 0.000 1.315 98 I HN 0.286 nan 8.210 nan 0.000 0.460 99 F N -0.158 119.827 119.950 0.058 0.000 2.790 99 F HA 0.787 5.314 4.527 -0.000 0.000 0.337 99 F C -1.308 174.666 175.800 0.290 0.000 1.163 99 F CA -1.437 56.652 58.000 0.149 0.000 0.997 99 F CB 1.257 40.322 39.000 0.108 0.000 1.437 99 F HN -0.296 nan 8.300 nan 0.000 0.512 100 L N 2.198 123.763 121.223 0.570 0.000 2.441 100 L HA 0.690 5.030 4.340 -0.000 0.000 0.270 100 L C -1.517 175.674 176.870 0.535 0.000 0.973 100 L CA -0.787 54.346 54.840 0.489 0.000 0.842 100 L CB 1.719 44.056 42.059 0.463 0.000 1.239 100 L HN 0.598 nan 8.230 nan 0.000 0.406 101 V N 3.995 124.133 119.914 0.375 0.000 2.439 101 V HA 0.793 4.913 4.120 -0.000 0.000 0.282 101 V C 0.530 176.766 176.094 0.236 0.000 1.039 101 V CA -0.293 62.196 62.300 0.314 0.000 0.913 101 V CB 1.181 33.155 31.823 0.252 0.000 0.983 101 V HN 0.926 nan 8.190 nan 0.000 0.460 102 A N 4.115 127.088 122.820 0.254 0.000 2.316 102 A HA 0.863 5.183 4.320 -0.000 0.000 0.324 102 A C 0.227 177.899 177.584 0.146 0.000 1.375 102 A CA -0.008 52.150 52.037 0.200 0.000 0.882 102 A CB 0.527 19.694 19.000 0.279 0.000 1.152 102 A HN 1.176 nan 8.150 nan 0.000 0.512 103 A N 1.467 124.366 122.820 0.132 0.000 2.624 103 A HA 0.786 5.106 4.320 -0.000 0.000 0.267 103 A C 1.163 178.829 177.584 0.137 0.000 1.282 103 A CA 0.368 52.475 52.037 0.117 0.000 0.934 103 A CB 0.155 19.216 19.000 0.102 0.000 1.510 103 A HN 1.232 nan 8.150 nan 0.000 0.477 104 T N -1.955 112.679 114.554 0.133 0.000 3.105 104 T HA 0.421 4.771 4.350 -0.000 0.000 0.253 104 T C 0.266 175.105 174.700 0.231 0.000 1.047 104 T CA 0.599 62.794 62.100 0.159 0.000 0.944 104 T CB -0.860 68.068 68.868 0.099 0.000 1.016 104 T HN 1.646 nan 8.240 nan 0.000 0.544 105 S N -0.768 115.056 115.700 0.206 0.000 2.552 105 S HA 0.326 4.796 4.470 -0.000 0.000 0.272 105 S C 0.366 174.985 174.600 0.032 0.000 1.150 105 S CA -0.792 57.443 58.200 0.058 0.000 0.849 105 S CB 1.139 64.349 63.200 0.016 0.000 1.113 105 S HN 0.188 nan 8.310 nan 0.000 0.458 106 H N 2.035 120.951 119.070 -0.258 0.000 2.267 106 H HA -0.088 4.468 4.556 -0.000 0.000 0.297 106 H C 1.910 177.220 175.328 -0.029 0.000 1.080 106 H CA 2.247 58.229 56.048 -0.109 0.000 1.278 106 H CB -0.101 29.560 29.762 -0.169 0.000 1.365 106 H HN 0.563 nan 8.280 nan 0.000 0.489 107 R N 0.400 120.889 120.500 -0.019 0.000 2.136 107 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 107 R C 2.534 178.808 176.300 -0.043 0.000 1.131 107 R CA 1.300 57.376 56.100 -0.039 0.000 0.937 107 R CB -1.159 29.145 30.300 0.008 0.000 0.863 107 R HN 0.453 nan 8.270 nan 0.000 0.435 108 A N 0.972 123.788 122.820 -0.007 0.000 1.903 108 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 108 A C 2.427 180.020 177.584 0.014 0.000 1.191 108 A CA 2.501 54.547 52.037 0.015 0.000 0.638 108 A CB -0.735 18.290 19.000 0.041 0.000 0.823 108 A HN 0.476 nan 8.150 nan 0.000 0.451 109 A N -1.022 121.800 122.820 0.003 0.000 1.898 109 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 109 A C 2.263 179.834 177.584 -0.021 0.000 1.181 109 A CA 1.294 53.342 52.037 0.018 0.000 0.620 109 A CB -0.429 18.590 19.000 0.032 0.000 0.819 109 A HN 0.461 nan 8.150 nan 0.000 0.442 110 R N -0.362 120.068 120.500 -0.117 0.000 2.082 110 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 110 R C 2.083 178.364 176.300 -0.032 0.000 1.136 110 R CA 1.665 57.695 56.100 -0.117 0.000 0.935 110 R CB -0.920 29.259 30.300 -0.202 0.000 0.842 110 R HN 0.599 nan 8.270 nan 0.000 0.430 111 I N 0.868 121.424 120.570 -0.022 0.000 2.118 111 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 111 I C 2.585 178.725 176.117 0.038 0.000 1.070 111 I CA 1.683 62.988 61.300 0.008 0.000 1.327 111 I CB -0.432 37.572 38.000 0.007 0.000 1.034 111 I HN 0.186 nan 8.210 nan 0.000 0.405 112 A N 0.340 123.191 122.820 0.053 0.000 1.972 112 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 112 A C 2.448 180.129 177.584 0.162 0.000 1.169 112 A CA 1.621 53.710 52.037 0.087 0.000 0.635 112 A CB -0.735 18.318 19.000 0.088 0.000 0.810 112 A HN 0.464 nan 8.150 nan 0.000 0.446 113 A N -0.261 122.663 122.820 0.173 0.000 2.067 113 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 113 A C 2.047 179.779 177.584 0.247 0.000 1.158 113 A CA 1.044 53.237 52.037 0.260 0.000 0.661 113 A CB -0.363 18.671 19.000 0.057 0.000 0.801 113 A HN 0.538 nan 8.150 nan 0.000 0.452 114 R N -0.715 119.867 120.500 0.136 0.000 2.313 114 R HA 0.088 4.428 4.340 -0.000 0.000 0.199 114 R C 0.985 177.347 176.300 0.104 0.000 0.958 114 R CA 0.575 56.735 56.100 0.100 0.000 1.047 114 R CB -0.006 30.324 30.300 0.049 0.000 0.955 114 R HN 0.382 nan 8.270 nan 0.000 0.481 115 K N 0.307 120.779 120.400 0.120 0.000 2.358 115 K HA 0.213 4.533 4.320 -0.000 0.000 0.197 115 K C 0.195 176.802 176.600 0.011 0.000 1.025 115 K CA -0.232 56.086 56.287 0.052 0.000 1.104 115 K CB 1.010 33.528 32.500 0.029 0.000 0.855 115 K HN 0.041 nan 8.250 nan 0.000 0.531 116 A N 1.656 124.495 122.820 0.032 0.000 2.445 116 A HA 0.162 4.482 4.320 -0.000 0.000 0.242 116 A C -0.322 177.238 177.584 -0.040 0.000 1.075 116 A CA 0.109 52.097 52.037 -0.081 0.000 0.777 116 A CB 0.208 19.129 19.000 -0.132 0.000 1.013 116 A HN 0.246 nan 8.150 nan 0.000 0.493 117 R N 1.068 121.517 120.500 -0.085 0.000 2.229 117 R HA 0.566 4.905 4.340 -0.000 0.000 0.332 117 R C -1.147 175.081 176.300 -0.120 0.000 0.989 117 R CA 0.036 56.091 56.100 -0.076 0.000 0.842 117 R CB 0.925 31.183 30.300 -0.069 0.000 1.119 117 R HN 0.682 nan 8.270 nan 0.000 0.456 118 I N 1.729 122.210 120.570 -0.148 0.000 2.545 118 I HA 0.289 4.459 4.170 -0.000 0.000 0.292 118 I C 0.083 175.968 176.117 -0.385 0.000 1.040 118 I CA -0.775 60.345 61.300 -0.300 0.000 1.068 118 I CB 2.476 40.234 38.000 -0.404 0.000 1.251 118 I HN 0.558 nan 8.210 nan 0.000 0.424 119 T N 1.994 116.318 114.554 -0.384 0.000 2.856 119 T HA 0.684 5.034 4.350 -0.000 0.000 0.283 119 T C -0.953 173.521 174.700 -0.376 0.000 1.008 119 T CA -0.521 61.406 62.100 -0.288 0.000 0.997 119 T CB 1.140 69.937 68.868 -0.118 0.000 0.992 119 T HN 0.328 nan 8.240 nan 0.000 0.454 120 Y N 0.592 120.872 120.300 -0.034 0.000 2.587 120 Y HA 0.674 5.224 4.550 -0.000 0.000 0.337 120 Y C 0.348 176.225 175.900 -0.038 0.000 1.065 120 Y CA -1.493 56.580 58.100 -0.044 0.000 1.126 120 Y CB 2.043 40.470 38.460 -0.055 0.000 1.279 120 Y HN 0.959 nan 8.280 nan 0.000 0.489 121 A N 3.031 125.933 122.820 0.136 0.000 2.511 121 A HA 0.574 4.893 4.320 -0.000 0.000 0.340 121 A C -2.834 174.775 177.584 0.042 0.000 1.396 121 A CA -1.837 50.238 52.037 0.064 0.000 0.887 121 A CB -0.399 18.619 19.000 0.030 0.000 1.145 121 A HN 0.390 nan 8.150 nan 0.000 0.497 122 P HA 0.174 nan 4.420 nan 0.000 0.266 122 P C -0.071 177.216 177.300 -0.022 0.000 1.193 122 P CA 0.475 63.562 63.100 -0.022 0.000 0.770 122 P CB 0.504 32.189 31.700 -0.026 0.000 0.836 123 R N 2.722 123.199 120.500 -0.039 0.000 2.912 123 R HA 0.560 4.900 4.340 -0.000 0.000 0.262 123 R C -2.473 173.808 176.300 -0.030 0.000 1.057 123 R CA -2.036 54.047 56.100 -0.029 0.000 0.981 123 R CB 0.200 30.482 30.300 -0.031 0.000 1.201 123 R HN 0.251 nan 8.270 nan 0.000 0.484 124 P HA 0.142 nan 4.420 nan 0.000 0.275 124 P C -1.186 176.102 177.300 -0.020 0.000 1.276 124 P CA -0.100 62.989 63.100 -0.017 0.000 0.782 124 P CB 0.916 32.609 31.700 -0.011 0.000 0.851 125 A N 4.576 127.381 122.820 -0.025 0.000 2.366 125 A HA 0.331 4.651 4.320 -0.000 0.000 0.272 125 A C 0.158 177.726 177.584 -0.026 0.000 1.135 125 A CA -0.471 51.549 52.037 -0.028 0.000 0.804 125 A CB -0.322 18.655 19.000 -0.039 0.000 1.064 125 A HN 0.528 nan 8.150 nan 0.000 0.499 126 I N 3.423 123.977 120.570 -0.026 0.000 2.322 126 I HA 0.121 4.291 4.170 -0.000 0.000 0.292 126 I C 0.571 176.648 176.117 -0.067 0.000 1.060 126 I CA 0.342 61.617 61.300 -0.040 0.000 1.309 126 I CB 0.571 38.547 38.000 -0.039 0.000 1.415 126 I HN 0.681 nan 8.210 nan 0.000 0.492 127 L N 4.453 125.628 121.223 -0.080 0.000 2.717 127 L HA 0.192 4.532 4.340 -0.000 0.000 0.239 127 L C 0.840 177.618 176.870 -0.153 0.000 1.086 127 L CA 0.182 54.943 54.840 -0.132 0.000 0.897 127 L CB 0.409 42.410 42.059 -0.098 0.000 1.214 127 L HN 0.661 nan 8.230 nan 0.000 0.508 128 T N -3.357 111.139 114.554 -0.096 0.000 2.924 128 T HA 0.453 4.803 4.350 -0.000 0.000 0.291 128 T C 1.055 175.710 174.700 -0.075 0.000 1.045 128 T CA -0.675 61.377 62.100 -0.080 0.000 1.015 128 T CB 1.963 70.809 68.868 -0.037 0.000 1.103 128 T HN -0.044 nan 8.240 nan 0.000 0.496 129 L N 0.765 121.946 121.223 -0.070 0.000 2.012 129 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 129 L C 2.258 179.091 176.870 -0.062 0.000 1.073 129 L CA 1.817 56.616 54.840 -0.068 0.000 0.748 129 L CB -0.872 41.152 42.059 -0.059 0.000 0.891 129 L HN 0.712 nan 8.230 nan 0.000 0.431 130 D N -0.435 119.937 120.400 -0.047 0.000 2.123 130 D HA -0.225 4.415 4.640 -0.000 0.000 0.196 130 D C 2.259 178.532 176.300 -0.045 0.000 0.992 130 D CA 1.159 55.133 54.000 -0.043 0.000 0.833 130 D CB -0.185 40.599 40.800 -0.026 0.000 0.954 130 D HN 0.391 nan 8.370 nan 0.000 0.455 131 Q N 0.223 119.997 119.800 -0.043 0.000 2.020 131 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 131 Q C 2.395 178.365 176.000 -0.050 0.000 0.982 131 Q CA 1.452 57.231 55.803 -0.041 0.000 0.838 131 Q CB -0.282 28.433 28.738 -0.039 0.000 0.899 131 Q HN 0.324 nan 8.270 nan 0.000 0.423 132 A N 0.761 123.545 122.820 -0.061 0.000 1.892 132 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 132 A C 2.038 179.580 177.584 -0.069 0.000 1.188 132 A CA 1.436 53.432 52.037 -0.069 0.000 0.631 132 A CB -0.747 18.207 19.000 -0.076 0.000 0.822 132 A HN 0.299 nan 8.150 nan 0.000 0.447 133 L N -0.521 120.657 121.223 -0.075 0.000 1.994 133 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 133 L C 2.949 179.778 176.870 -0.067 0.000 1.071 133 L CA 2.040 56.827 54.840 -0.089 0.000 0.745 133 L CB -1.132 40.857 42.059 -0.117 0.000 0.892 133 L HN 0.413 nan 8.230 nan 0.000 0.431 134 A N -0.651 122.137 122.820 -0.054 0.000 1.873 134 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 134 A C 2.377 179.939 177.584 -0.036 0.000 1.193 134 A CA 2.376 54.389 52.037 -0.040 0.000 0.629 134 A CB -1.250 17.730 19.000 -0.032 0.000 0.826 134 A HN 0.489 nan 8.150 nan 0.000 0.447 135 A N -1.826 120.971 122.820 -0.039 0.000 2.121 135 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 135 A C 0.990 178.550 177.584 -0.039 0.000 1.154 135 A CA 1.546 53.561 52.037 -0.036 0.000 0.679 135 A CB -0.508 18.469 19.000 -0.039 0.000 0.795 135 A HN 0.692 nan 8.150 nan 0.000 0.458 136 D N -1.123 119.250 120.400 -0.044 0.000 2.723 136 D HA -0.138 4.502 4.640 -0.000 0.000 0.236 136 D C -0.113 176.147 176.300 -0.066 0.000 1.138 136 D CA 1.005 54.978 54.000 -0.044 0.000 0.676 136 D CB -1.511 39.271 40.800 -0.029 0.000 1.069 136 D HN 0.271 nan 8.370 nan 0.000 0.430 137 S N 0.462 116.112 115.700 -0.083 0.000 2.422 137 S HA 0.520 4.990 4.470 -0.000 0.000 0.283 137 S C 0.074 174.570 174.600 -0.174 0.000 1.163 137 S CA -0.261 57.861 58.200 -0.129 0.000 1.054 137 S CB 0.277 63.411 63.200 -0.111 0.000 0.967 137 S HN 0.456 nan 8.310 nan 0.000 0.499 138 R N 2.871 123.215 120.500 -0.260 0.000 2.728 138 R HA 0.438 4.778 4.340 -0.000 0.000 0.274 138 R C -1.754 174.282 176.300 -0.440 0.000 1.030 138 R CA -0.821 55.119 56.100 -0.266 0.000 0.876 138 R CB 0.392 30.649 30.300 -0.071 0.000 1.259 138 R HN 0.412 nan 8.270 nan 0.000 0.468 139 F N 0.796 120.735 119.950 -0.018 0.000 2.450 139 F HA 0.363 4.890 4.527 -0.000 0.000 0.328 139 F C 0.765 176.552 175.800 -0.022 0.000 1.068 139 F CA -0.119 57.865 58.000 -0.027 0.000 1.007 139 F CB 1.368 40.343 39.000 -0.041 0.000 1.251 139 F HN 0.864 nan 8.300 nan 0.000 0.492 140 E N -0.353 119.954 120.200 0.178 0.000 3.799 140 E HA -0.230 4.120 4.350 -0.000 0.000 0.320 140 E C 0.809 177.437 176.600 0.046 0.000 0.760 140 E CA 0.523 56.975 56.400 0.087 0.000 1.153 140 E CB -1.862 27.876 29.700 0.064 0.000 1.589 140 E HN 1.135 nan 8.360 nan 0.000 0.448 141 G N 0.509 109.328 108.800 0.032 0.000 2.325 141 G HA2 0.132 4.092 3.960 -0.000 0.000 0.274 141 G HA3 0.132 4.092 3.960 -0.000 0.000 0.274 141 G C 0.500 175.411 174.900 0.019 0.000 0.921 141 G CA 1.108 46.215 45.100 0.012 0.000 1.340 141 G HN 1.263 nan 8.290 nan 0.000 0.447 142 G N 0.723 109.539 108.800 0.027 0.000 2.539 142 G HA2 0.379 4.339 3.960 -0.000 0.000 0.686 142 G HA3 0.379 4.339 3.960 -0.000 0.000 0.686 142 G C -2.006 172.896 174.900 0.003 0.000 1.258 142 G CA -0.178 44.942 45.100 0.034 0.000 0.846 142 G HN 0.857 nan 8.290 nan 0.000 0.647 143 P HA 0.497 nan 4.420 nan 0.000 0.273 143 P C -0.038 177.155 177.300 -0.179 0.000 1.250 143 P CA -0.528 62.434 63.100 -0.232 0.000 0.793 143 P CB 0.748 32.132 31.700 -0.526 0.000 1.011 144 V N 1.821 121.588 119.914 -0.244 0.000 2.394 144 V HA 0.346 4.466 4.120 -0.000 0.000 0.282 144 V C 0.316 176.232 176.094 -0.295 0.000 1.031 144 V CA -0.341 61.812 62.300 -0.244 0.000 0.881 144 V CB 0.686 32.313 31.823 -0.326 0.000 0.982 144 V HN 0.311 nan 8.190 nan 0.000 0.451 145 I N 3.998 124.480 120.570 -0.147 0.000 2.389 145 I HA 0.423 4.593 4.170 -0.000 0.000 0.288 145 I C -1.101 175.144 176.117 0.215 0.000 0.999 145 I CA -0.394 60.882 61.300 -0.040 0.000 1.129 145 I CB 1.702 39.713 38.000 0.019 0.000 1.288 145 I HN 0.510 nan 8.210 nan 0.000 0.444 146 W N 4.670 126.014 121.300 0.073 0.000 2.606 146 W HA 0.747 5.407 4.660 -0.000 0.000 0.332 146 W C -0.224 176.366 176.519 0.118 0.000 1.052 146 W CA -1.462 55.956 57.345 0.121 0.000 1.223 146 W CB 1.982 31.561 29.460 0.198 0.000 1.383 146 W HN 0.456 nan 8.180 nan 0.000 0.524 147 A N 3.618 126.641 122.820 0.339 0.000 2.429 147 A HA 0.682 5.002 4.320 -0.000 0.000 0.289 147 A C -1.059 176.626 177.584 0.168 0.000 1.043 147 A CA -0.853 51.311 52.037 0.212 0.000 0.722 147 A CB 1.535 20.625 19.000 0.150 0.000 1.243 147 A HN 0.597 nan 8.150 nan 0.000 0.415 148 R N 2.371 122.965 120.500 0.157 0.000 2.445 148 R HA 0.601 4.941 4.340 -0.000 0.000 0.308 148 R C 0.683 177.028 176.300 0.075 0.000 0.961 148 R CA 0.832 57.001 56.100 0.115 0.000 0.862 148 R CB 1.359 31.738 30.300 0.131 0.000 1.144 148 R HN 2.213 nan 8.270 nan 0.000 0.447 149 G N 2.821 111.658 108.800 0.062 0.000 2.601 149 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.252 149 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.252 149 G C -1.032 173.893 174.900 0.042 0.000 1.294 149 G CA 0.271 45.398 45.100 0.046 0.000 0.912 149 G HN 0.661 nan 8.290 nan 0.000 0.574 150 D N -0.405 120.014 120.400 0.030 0.000 2.440 150 D HA 0.536 5.176 4.640 -0.000 0.000 0.252 150 D C 1.496 177.804 176.300 0.013 0.000 1.180 150 D CA 0.104 54.120 54.000 0.025 0.000 0.894 150 D CB 1.192 42.005 40.800 0.022 0.000 1.111 150 D HN 0.449 nan 8.370 nan 0.000 0.544 151 V N 3.201 123.122 119.914 0.011 0.000 2.358 151 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 151 V C 2.215 178.303 176.094 -0.011 0.000 1.047 151 V CA 1.168 63.464 62.300 -0.006 0.000 1.035 151 V CB -0.542 31.275 31.823 -0.010 0.000 0.658 151 V HN 0.440 nan 8.190 nan 0.000 0.452 152 E N 1.048 121.247 120.200 -0.003 0.000 2.033 152 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 152 E C 2.335 178.931 176.600 -0.007 0.000 1.011 152 E CA 2.403 58.800 56.400 -0.005 0.000 0.815 152 E CB -0.869 28.833 29.700 0.003 0.000 0.755 152 E HN 0.629 nan 8.360 nan 0.000 0.451 153 T N 0.376 114.929 114.554 -0.002 0.000 2.555 153 T HA -0.261 4.089 4.350 -0.000 0.000 0.264 153 T C 1.832 176.527 174.700 -0.009 0.000 1.083 153 T CA 2.167 64.266 62.100 -0.003 0.000 1.179 153 T CB -0.814 68.056 68.868 0.004 0.000 0.863 153 T HN 0.363 nan 8.240 nan 0.000 0.412 154 A N 0.977 123.792 122.820 -0.008 0.000 1.917 154 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 154 A C 2.363 179.933 177.584 -0.024 0.000 1.182 154 A CA 1.556 53.585 52.037 -0.013 0.000 0.633 154 A CB -1.000 17.992 19.000 -0.013 0.000 0.819 154 A HN 0.509 nan 8.150 nan 0.000 0.448 155 L N -1.153 120.053 121.223 -0.029 0.000 2.201 155 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 155 L C 3.014 179.864 176.870 -0.033 0.000 1.105 155 L CA 0.767 55.585 54.840 -0.037 0.000 0.775 155 L CB -0.405 41.628 42.059 -0.042 0.000 0.913 155 L HN 0.457 nan 8.230 nan 0.000 0.440 156 A N -0.060 122.745 122.820 -0.026 0.000 1.930 156 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 156 A C 2.065 179.632 177.584 -0.028 0.000 1.175 156 A CA 1.549 53.571 52.037 -0.024 0.000 0.627 156 A CB -0.769 18.221 19.000 -0.017 0.000 0.815 156 A HN 0.415 nan 8.150 nan 0.000 0.443 157 G N -0.891 107.892 108.800 -0.028 0.000 3.371 157 G HA2 0.446 4.406 3.960 -0.000 0.000 0.248 157 G HA3 0.446 4.406 3.960 -0.000 0.000 0.248 157 G C 0.392 175.266 174.900 -0.045 0.000 1.161 157 G CA 0.480 45.560 45.100 -0.033 0.000 0.796 157 G HN 0.696 nan 8.290 nan 0.000 0.539 158 A N 0.472 123.264 122.820 -0.048 0.000 2.404 158 A HA 0.622 4.942 4.320 -0.000 0.000 0.273 158 A C 1.664 179.192 177.584 -0.092 0.000 1.144 158 A CA 0.372 52.376 52.037 -0.055 0.000 0.806 158 A CB 0.673 19.647 19.000 -0.042 0.000 1.080 158 A HN 0.696 nan 8.150 nan 0.000 0.509 159 A N 2.441 125.182 122.820 -0.133 0.000 2.076 159 A HA 0.020 4.340 4.320 -0.000 0.000 0.220 159 A C 0.876 178.171 177.584 -0.481 0.000 1.160 159 A CA 1.324 53.191 52.037 -0.283 0.000 0.653 159 A CB -0.313 18.509 19.000 -0.296 0.000 0.801 159 A HN 0.843 nan 8.150 nan 0.000 0.455 160 H N -2.452 116.579 119.070 -0.065 0.000 2.996 160 H HA 0.659 5.215 4.556 -0.000 0.000 0.368 160 H C -1.497 173.772 175.328 -0.100 0.000 1.185 160 H CA -0.757 55.240 56.048 -0.085 0.000 1.160 160 H CB 1.394 31.101 29.762 -0.091 0.000 1.820 160 H HN 0.196 nan 8.280 nan 0.000 0.547 161 L N 1.546 122.787 121.223 0.029 0.000 2.588 161 L HA 0.663 5.003 4.340 -0.000 0.000 0.263 161 L C -1.338 175.450 176.870 -0.137 0.000 0.935 161 L CA -0.586 54.220 54.840 -0.056 0.000 0.891 161 L CB 1.546 43.576 42.059 -0.049 0.000 1.318 161 L HN 0.759 nan 8.230 nan 0.000 0.409 162 A N 4.315 127.038 122.820 -0.162 0.000 2.343 162 A HA 0.792 5.112 4.320 -0.000 0.000 0.316 162 A C -1.123 176.435 177.584 -0.042 0.000 1.104 162 A CA -0.522 51.368 52.037 -0.245 0.000 0.768 162 A CB 1.405 20.114 19.000 -0.485 0.000 1.213 162 A HN 0.705 nan 8.150 nan 0.000 0.456 163 E N 0.869 121.032 120.200 -0.062 0.000 2.244 163 E HA 0.731 5.081 4.350 -0.000 0.000 0.266 163 E C -0.071 176.382 176.600 -0.245 0.000 0.914 163 E CA -0.894 55.417 56.400 -0.149 0.000 0.794 163 E CB 2.500 32.128 29.700 -0.121 0.000 1.210 163 E HN 1.024 nan 8.360 nan 0.000 0.414 164 G N 0.005 108.339 108.800 -0.777 0.000 2.356 164 G HA2 0.456 4.416 3.960 -0.000 0.000 0.294 164 G HA3 0.456 4.416 3.960 -0.000 0.000 0.294 164 G C -1.443 172.956 174.900 -0.836 0.000 1.423 164 G CA -0.236 44.438 45.100 -0.710 0.000 0.806 164 G HN 0.845 nan 8.290 nan 0.000 0.527 165 C N -0.794 118.422 119.300 -0.140 0.000 3.239 165 C HA 0.956 5.416 4.460 -0.000 0.000 0.329 165 C C -1.189 174.086 174.990 0.475 0.000 1.252 165 C CA -1.090 58.051 59.018 0.205 0.000 1.323 165 C CB 0.428 28.232 27.740 0.107 0.000 1.663 165 C HN 1.968 nan 8.230 nan 0.000 0.487 166 F N 0.584 120.682 119.950 0.246 0.000 2.645 166 F HA 0.798 5.325 4.527 -0.000 0.000 0.310 166 F C -0.592 175.299 175.800 0.151 0.000 1.102 166 F CA -0.761 57.358 58.000 0.197 0.000 0.952 166 F CB 1.187 40.329 39.000 0.238 0.000 1.326 166 F HN 0.610 nan 8.300 nan 0.000 0.456 167 E N 2.984 123.139 120.200 -0.076 0.000 2.301 167 E HA 0.457 4.807 4.350 -0.000 0.000 0.275 167 E C -0.669 175.706 176.600 -0.374 0.000 1.030 167 E CA -0.320 55.974 56.400 -0.177 0.000 0.852 167 E CB 2.283 31.970 29.700 -0.023 0.000 1.060 167 E HN 0.609 nan 8.360 nan 0.000 0.401 168 I N 1.170 121.558 120.570 -0.302 0.000 2.447 168 I HA 0.292 4.462 4.170 -0.000 0.000 0.287 168 I C 0.701 176.799 176.117 -0.032 0.000 1.023 168 I CA -0.958 60.178 61.300 -0.273 0.000 1.083 168 I CB 2.028 39.871 38.000 -0.263 0.000 1.245 168 I HN 0.383 nan 8.210 nan 0.000 0.434 169 G N 3.632 112.408 108.800 -0.039 0.000 2.503 169 G HA2 0.476 4.436 3.960 -0.000 0.000 0.257 169 G HA3 0.476 4.436 3.960 -0.000 0.000 0.257 169 G C 0.427 175.528 174.900 0.335 0.000 1.214 169 G CA -0.158 45.017 45.100 0.125 0.000 0.839 169 G HN 0.756 nan 8.290 nan 0.000 0.559 170 G N -1.039 107.954 108.800 0.322 0.000 2.486 170 G HA2 0.484 4.444 3.960 -0.000 0.000 0.272 170 G HA3 0.484 4.444 3.960 -0.000 0.000 0.272 170 G C -0.205 174.894 174.900 0.332 0.000 1.426 170 G CA -0.211 45.078 45.100 0.315 0.000 1.058 170 G HN 0.724 nan 8.290 nan 0.000 0.531 171 Q N -1.264 118.660 119.800 0.207 0.000 2.378 171 Q HA 0.270 4.610 4.340 -0.000 0.000 0.262 171 Q C -1.734 174.406 176.000 0.233 0.000 0.978 171 Q CA -0.652 55.295 55.803 0.240 0.000 0.918 171 Q CB 2.100 30.771 28.738 -0.111 0.000 1.415 171 Q HN 0.552 nan 8.270 nan 0.000 0.409 172 E N 1.488 121.758 120.200 0.117 0.000 2.259 172 E HA 0.151 4.500 4.350 -0.000 0.000 0.281 172 E C -0.151 176.495 176.600 0.076 0.000 1.027 172 E CA 0.447 56.769 56.400 -0.130 0.000 0.838 172 E CB 0.710 29.999 29.700 -0.685 0.000 1.066 172 E HN 0.656 nan 8.360 nan 0.000 0.401 173 H N 4.077 123.021 119.070 -0.209 0.000 2.290 173 H HA -0.043 4.513 4.556 -0.000 0.000 0.298 173 H C 0.174 175.359 175.328 -0.237 0.000 1.087 173 H CA 1.853 57.572 56.048 -0.549 0.000 1.291 173 H CB -0.249 29.139 29.762 -0.624 0.000 1.369 173 H HN 0.710 nan 8.280 nan 0.000 0.492 174 F N -0.083 119.594 119.950 -0.455 0.000 3.074 174 F HA -0.270 4.257 4.527 -0.000 0.000 0.287 174 F C -0.681 175.028 175.800 -0.151 0.000 0.932 174 F CA -0.458 57.349 58.000 -0.322 0.000 0.995 174 F CB -1.882 37.083 39.000 -0.059 0.000 0.966 174 F HN 0.156 nan 8.300 nan 0.000 0.721 175 Y N -0.557 119.889 120.300 0.244 0.000 2.805 175 Y HA 0.079 4.629 4.550 -0.000 0.000 0.337 175 Y C 1.151 177.078 175.900 0.044 0.000 1.252 175 Y CA -0.588 57.666 58.100 0.258 0.000 1.515 175 Y CB 0.074 38.603 38.460 0.114 0.000 1.305 175 Y HN 0.129 nan 8.280 nan 0.000 0.600 176 L N 0.889 122.255 121.223 0.238 0.000 2.131 176 L HA -0.007 4.333 4.340 -0.000 0.000 0.206 176 L C 1.162 178.029 176.870 -0.004 0.000 1.087 176 L CA 1.047 55.938 54.840 0.086 0.000 0.767 176 L CB -0.399 41.710 42.059 0.083 0.000 0.917 176 L HN 0.833 nan 8.230 nan 0.000 0.441 177 E N 0.646 120.817 120.200 -0.047 0.000 2.194 177 E HA 0.261 4.611 4.350 -0.000 0.000 0.284 177 E C 0.122 176.715 176.600 -0.013 0.000 1.035 177 E CA -0.236 56.098 56.400 -0.111 0.000 0.836 177 E CB 1.286 30.835 29.700 -0.252 0.000 1.070 177 E HN 0.188 nan 8.360 nan 0.000 0.401 178 G N 3.252 112.062 108.800 0.016 0.000 2.516 178 G HA2 0.011 3.971 3.960 -0.000 0.000 0.276 178 G HA3 0.011 3.971 3.960 -0.000 0.000 0.276 178 G C -0.068 174.731 174.900 -0.169 0.000 1.390 178 G CA -0.463 44.684 45.100 0.080 0.000 1.050 178 G HN 0.549 nan 8.290 nan 0.000 0.519 179 Q N -0.610 119.095 119.800 -0.159 0.000 2.364 179 Q HA 0.481 4.820 4.340 -0.000 0.000 0.267 179 Q C -0.013 175.803 176.000 -0.307 0.000 0.999 179 Q CA 0.393 55.999 55.803 -0.328 0.000 0.886 179 Q CB 1.328 29.811 28.738 -0.424 0.000 1.243 179 Q HN 0.737 nan 8.270 nan 0.000 0.415 180 A N 0.481 123.137 122.820 -0.274 0.000 2.594 180 A HA 0.771 5.091 4.320 -0.000 0.000 0.296 180 A C -1.712 175.787 177.584 -0.142 0.000 1.056 180 A CA 0.033 51.956 52.037 -0.189 0.000 0.693 180 A CB 1.449 20.382 19.000 -0.113 0.000 1.278 180 A HN 0.748 nan 8.150 nan 0.000 0.408 181 A N 0.252 123.007 122.820 -0.108 0.000 2.609 181 A HA 0.939 5.259 4.320 -0.000 0.000 0.291 181 A C -1.790 175.773 177.584 -0.035 0.000 1.096 181 A CA -0.232 51.764 52.037 -0.069 0.000 0.684 181 A CB 1.555 20.501 19.000 -0.091 0.000 1.282 181 A HN 2.413 nan 8.150 nan 0.000 0.412 182 L N 0.222 121.442 121.223 -0.005 0.000 2.562 182 L HA 0.838 5.178 4.340 -0.000 0.000 0.266 182 L C -0.548 176.323 176.870 0.003 0.000 0.949 182 L CA 0.008 54.853 54.840 0.009 0.000 0.879 182 L CB 1.583 43.672 42.059 0.050 0.000 1.278 182 L HN 1.504 nan 8.230 nan 0.000 0.404 183 A N 5.669 128.476 122.820 -0.023 0.000 2.304 183 A HA 0.838 5.158 4.320 -0.000 0.000 0.323 183 A C -1.102 176.471 177.584 -0.019 0.000 1.195 183 A CA -0.475 51.542 52.037 -0.034 0.000 0.826 183 A CB 0.830 19.802 19.000 -0.046 0.000 1.184 183 A HN 0.751 nan 8.150 nan 0.000 0.496 184 L N 4.439 125.650 121.223 -0.021 0.000 2.353 184 L HA 0.348 4.688 4.340 -0.000 0.000 0.270 184 L C -2.285 174.575 176.870 -0.016 0.000 1.003 184 L CA -1.987 52.850 54.840 -0.006 0.000 0.862 184 L CB 1.683 43.754 42.059 0.019 0.000 1.221 184 L HN 0.482 nan 8.230 nan 0.000 0.430 185 P HA 0.049 nan 4.420 nan 0.000 0.264 185 P C -0.600 176.696 177.300 -0.006 0.000 1.183 185 P CA 0.056 63.151 63.100 -0.008 0.000 0.763 185 P CB 1.068 32.768 31.700 0.001 0.000 0.807 186 A N 3.374 126.188 122.820 -0.009 0.000 2.679 186 A HA 0.301 4.620 4.320 -0.000 0.000 0.288 186 A C 0.134 177.712 177.584 -0.010 0.000 1.160 186 A CA -0.672 51.359 52.037 -0.009 0.000 0.763 186 A CB 0.167 19.159 19.000 -0.015 0.000 1.270 186 A HN 0.654 nan 8.150 nan 0.000 0.417 187 E N 1.538 121.734 120.200 -0.006 0.000 1.484 187 E HA -0.234 4.116 4.350 -0.000 0.000 0.248 187 E C 0.965 177.561 176.600 -0.007 0.000 1.281 187 E CA 1.002 57.398 56.400 -0.006 0.000 0.833 187 E CB -1.610 28.085 29.700 -0.009 0.000 0.898 187 E HN 2.325 nan 8.360 nan 0.000 0.297 188 G N 1.416 110.215 108.800 -0.001 0.000 2.304 188 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 188 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 188 G C 0.504 175.405 174.900 0.002 0.000 1.014 188 G CA 0.349 45.450 45.100 0.001 0.000 0.619 188 G HN 1.292 nan 8.290 nan 0.000 0.525 189 G N -1.414 107.384 108.800 -0.003 0.000 3.042 189 G HA2 0.859 4.819 3.960 -0.000 0.000 0.278 189 G HA3 0.859 4.819 3.960 -0.000 0.000 0.278 189 G C -0.591 174.301 174.900 -0.013 0.000 1.371 189 G CA 0.220 45.317 45.100 -0.004 0.000 1.009 189 G HN 1.333 nan 8.290 nan 0.000 0.523 190 V N -1.823 118.078 119.914 -0.022 0.000 2.864 190 V HA 0.785 4.905 4.120 -0.000 0.000 0.314 190 V C -0.406 175.651 176.094 -0.062 0.000 1.073 190 V CA -1.059 61.218 62.300 -0.038 0.000 0.956 190 V CB 1.585 33.382 31.823 -0.043 0.000 1.023 190 V HN 0.512 nan 8.190 nan 0.000 0.435 191 V N 3.895 123.756 119.914 -0.087 0.000 2.417 191 V HA 0.497 4.617 4.120 -0.000 0.000 0.291 191 V C -0.373 175.597 176.094 -0.206 0.000 1.024 191 V CA -0.400 61.803 62.300 -0.162 0.000 0.861 191 V CB 1.588 33.299 31.823 -0.187 0.000 0.985 191 V HN 0.661 nan 8.190 nan 0.000 0.436 192 I N 4.668 125.095 120.570 -0.239 0.000 2.354 192 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 192 I C -0.166 175.756 176.117 -0.324 0.000 0.989 192 I CA -0.404 60.768 61.300 -0.213 0.000 1.188 192 I CB 1.229 39.155 38.000 -0.123 0.000 1.342 192 I HN 0.564 nan 8.210 nan 0.000 0.457 193 H N 5.278 124.326 119.070 -0.038 0.000 2.457 193 H HA 0.597 5.153 4.556 -0.000 0.000 0.335 193 H C -0.262 175.039 175.328 -0.045 0.000 1.115 193 H CA -0.343 55.683 56.048 -0.036 0.000 1.219 193 H CB 2.388 32.131 29.762 -0.031 0.000 1.471 193 H HN 0.817 nan 8.280 nan 0.000 0.491 194 C N 0.411 119.749 119.300 0.063 0.000 3.311 194 C HA 0.435 4.895 4.460 -0.000 0.000 0.325 194 C C 0.433 175.411 174.990 -0.020 0.000 1.352 194 C CA -1.142 57.874 59.018 -0.004 0.000 1.308 194 C CB 1.310 29.024 27.740 -0.044 0.000 1.619 194 C HN 0.720 nan 8.230 nan 0.000 0.469 195 S N 1.718 117.380 115.700 -0.064 0.000 2.681 195 S HA 0.590 5.060 4.470 -0.000 0.000 0.313 195 S C -0.092 174.427 174.600 -0.134 0.000 1.137 195 S CA 0.361 58.505 58.200 -0.094 0.000 1.045 195 S CB -0.856 62.261 63.200 -0.138 0.000 1.208 195 S HN 1.532 nan 8.310 nan 0.000 0.523 196 S N 3.549 119.195 115.700 -0.090 0.000 2.536 196 S HA 0.353 4.823 4.470 -0.000 0.000 0.271 196 S C 0.317 174.888 174.600 -0.048 0.000 1.134 196 S CA -0.656 57.495 58.200 -0.082 0.000 0.897 196 S CB 1.547 64.716 63.200 -0.050 0.000 1.094 196 S HN 0.671 nan 8.310 nan 0.000 0.473 197 Q N 1.710 121.481 119.800 -0.049 0.000 2.472 197 Q HA 0.069 4.409 4.340 -0.000 0.000 0.208 197 Q C 0.138 176.171 176.000 0.054 0.000 0.958 197 Q CA 0.718 56.508 55.803 -0.022 0.000 0.932 197 Q CB -0.031 28.678 28.738 -0.048 0.000 1.007 197 Q HN 0.788 nan 8.270 nan 0.000 0.508 198 H N -0.771 118.276 119.070 -0.038 0.000 2.597 198 H HA 0.145 4.701 4.556 -0.000 0.000 0.225 198 H C -2.149 173.157 175.328 -0.037 0.000 1.422 198 H CA -2.127 53.905 56.048 -0.027 0.000 1.335 198 H CB 1.006 30.753 29.762 -0.025 0.000 1.783 198 H HN -0.009 nan 8.280 nan 0.000 0.513 199 P HA -0.168 nan 4.420 nan 0.000 0.216 199 P C 1.507 178.794 177.300 -0.022 0.000 1.150 199 P CA 1.193 64.311 63.100 0.029 0.000 0.843 199 P CB 0.347 32.064 31.700 0.027 0.000 0.787 200 S N -0.985 114.740 115.700 0.043 0.000 2.423 200 S HA -0.170 4.299 4.470 -0.000 0.000 0.231 200 S C 1.911 176.376 174.600 -0.224 0.000 1.014 200 S CA 1.052 59.220 58.200 -0.054 0.000 0.965 200 S CB -0.575 62.657 63.200 0.053 0.000 0.785 200 S HN 0.325 nan 8.310 nan 0.000 0.495 201 E N 0.918 120.830 120.200 -0.481 0.000 2.046 201 E HA -0.088 4.262 4.350 -0.000 0.000 0.190 201 E C 1.846 178.278 176.600 -0.281 0.000 0.982 201 E CA 0.874 56.954 56.400 -0.534 0.000 0.800 201 E CB -0.054 29.085 29.700 -0.935 0.000 0.756 201 E HN 0.269 nan 8.360 nan 0.000 0.449 202 I N 1.589 122.030 120.570 -0.214 0.000 2.113 202 I HA -0.375 3.795 4.170 -0.000 0.000 0.242 202 I C 2.606 178.642 176.117 -0.135 0.000 1.057 202 I CA 1.723 62.942 61.300 -0.135 0.000 1.314 202 I CB -1.468 36.474 38.000 -0.097 0.000 1.022 202 I HN 0.413 nan 8.210 nan 0.000 0.408 203 Q N -0.158 119.544 119.800 -0.164 0.000 2.112 203 Q HA -0.289 4.050 4.340 -0.000 0.000 0.206 203 Q C 2.367 178.198 176.000 -0.282 0.000 0.987 203 Q CA 2.229 57.908 55.803 -0.207 0.000 0.858 203 Q CB -0.224 28.369 28.738 -0.241 0.000 0.905 203 Q HN 0.668 nan 8.270 nan 0.000 0.420 204 H N -0.562 118.231 119.070 -0.461 0.000 2.326 204 H HA -0.051 4.505 4.556 -0.000 0.000 0.301 204 H C 1.947 177.222 175.328 -0.088 0.000 1.081 204 H CA 1.153 56.907 56.048 -0.491 0.000 1.334 204 H CB 0.379 29.916 29.762 -0.374 0.000 1.385 204 H HN 0.022 nan 8.280 nan 0.000 0.504 205 K N 0.263 120.698 120.400 0.058 0.000 2.031 205 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 205 K C 2.310 178.947 176.600 0.062 0.000 1.049 205 K CA 0.950 57.249 56.287 0.020 0.000 0.939 205 K CB -0.365 32.074 32.500 -0.102 0.000 0.717 205 K HN 0.193 nan 8.250 nan 0.000 0.438 206 V N 1.959 121.875 119.914 0.004 0.000 2.287 206 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 206 V C 2.536 178.646 176.094 0.027 0.000 1.053 206 V CA 2.119 64.419 62.300 -0.001 0.000 1.027 206 V CB -0.863 30.937 31.823 -0.039 0.000 0.646 206 V HN 0.319 nan 8.190 nan 0.000 0.447 207 A N -0.921 121.921 122.820 0.035 0.000 1.917 207 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 207 A C 1.993 179.582 177.584 0.008 0.000 1.182 207 A CA 2.467 54.529 52.037 0.041 0.000 0.633 207 A CB -0.842 18.234 19.000 0.127 0.000 0.819 207 A HN 0.724 nan 8.150 nan 0.000 0.448 208 H N -1.032 118.101 119.070 0.106 0.000 2.462 208 H HA 0.233 4.789 4.556 -0.000 0.000 0.292 208 H C 2.333 177.694 175.328 0.056 0.000 1.049 208 H CA 1.116 57.221 56.048 0.095 0.000 1.334 208 H CB -0.013 29.849 29.762 0.167 0.000 1.404 208 H HN 0.524 nan 8.280 nan 0.000 0.544 209 A N 0.165 123.075 122.820 0.150 0.000 1.968 209 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 209 A C 1.919 179.566 177.584 0.106 0.000 1.169 209 A CA 0.983 53.093 52.037 0.122 0.000 0.638 209 A CB -0.236 18.808 19.000 0.072 0.000 0.812 209 A HN 0.371 nan 8.150 nan 0.000 0.446 210 L N -1.490 119.734 121.223 0.002 0.000 2.585 210 L HA 0.223 4.563 4.340 -0.000 0.000 0.226 210 L C 1.420 178.096 176.870 -0.323 0.000 1.113 210 L CA 0.470 55.286 54.840 -0.041 0.000 0.876 210 L CB -0.019 42.020 42.059 -0.033 0.000 1.072 210 L HN 0.554 nan 8.230 nan 0.000 0.468 211 G N 1.540 109.979 108.800 -0.601 0.000 2.272 211 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 211 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 211 G C -0.197 174.455 174.900 -0.414 0.000 1.067 211 G CA 0.090 44.618 45.100 -0.952 0.000 0.902 211 G HN 0.232 nan 8.290 nan 0.000 0.500 212 L N -0.533 120.536 121.223 -0.257 0.000 2.319 212 L HA 0.850 5.190 4.340 -0.000 0.000 0.267 212 L C 0.878 177.662 176.870 -0.143 0.000 1.011 212 L CA -0.848 53.907 54.840 -0.141 0.000 0.818 212 L CB 1.890 43.910 42.059 -0.064 0.000 1.316 212 L HN 0.320 nan 8.230 nan 0.000 0.432 213 A N 0.434 123.175 122.820 -0.132 0.000 2.322 213 A HA 0.352 4.672 4.320 -0.000 0.000 0.269 213 A C 0.704 178.275 177.584 -0.022 0.000 1.094 213 A CA -0.280 51.616 52.037 -0.235 0.000 0.807 213 A CB 0.122 18.834 19.000 -0.479 0.000 1.047 213 A HN 0.614 nan 8.150 nan 0.000 0.487 214 F N 1.146 120.940 119.950 -0.260 0.000 2.147 214 F HA -0.249 4.278 4.527 -0.000 0.000 0.301 214 F C 2.332 178.104 175.800 -0.048 0.000 1.084 214 F CA 2.273 60.182 58.000 -0.153 0.000 1.268 214 F CB -1.277 37.629 39.000 -0.157 0.000 1.009 214 F HN 0.900 nan 8.300 nan 0.000 0.486 215 H N -2.251 116.888 119.070 0.115 0.000 2.567 215 H HA 0.006 4.562 4.556 -0.000 0.000 0.276 215 H C 0.485 175.821 175.328 0.014 0.000 1.016 215 H CA 0.739 56.813 56.048 0.044 0.000 1.186 215 H CB -0.206 29.563 29.762 0.013 0.000 1.351 215 H HN 0.173 nan 8.280 nan 0.000 0.605 216 D N 1.117 121.689 120.400 0.287 0.000 2.441 216 D HA 0.142 4.782 4.640 -0.000 0.000 0.210 216 D C -0.194 176.139 176.300 0.056 0.000 1.102 216 D CA 0.088 54.174 54.000 0.144 0.000 0.840 216 D CB 1.329 42.214 40.800 0.141 0.000 0.990 216 D HN 0.148 nan 8.370 nan 0.000 0.505 217 V N 1.766 121.708 119.914 0.047 0.000 2.409 217 V HA 0.368 4.488 4.120 -0.000 0.000 0.291 217 V C 0.073 176.148 176.094 -0.032 0.000 1.020 217 V CA -0.745 61.549 62.300 -0.009 0.000 0.848 217 V CB 2.444 34.249 31.823 -0.029 0.000 0.990 217 V HN -0.115 nan 8.190 nan 0.000 0.430 218 R N 4.237 124.703 120.500 -0.058 0.000 2.388 218 R HA 0.576 4.916 4.340 -0.000 0.000 0.314 218 R C -1.674 174.557 176.300 -0.116 0.000 0.959 218 R CA -0.316 55.742 56.100 -0.070 0.000 0.851 218 R CB 1.814 32.078 30.300 -0.061 0.000 1.168 218 R HN 0.520 nan 8.270 nan 0.000 0.472 219 V N 4.480 124.333 119.914 -0.101 0.000 2.394 219 V HA 0.400 4.520 4.120 -0.000 0.000 0.282 219 V C 0.021 176.061 176.094 -0.091 0.000 1.031 219 V CA -0.637 61.594 62.300 -0.115 0.000 0.881 219 V CB 1.596 33.368 31.823 -0.084 0.000 0.982 219 V HN 0.656 nan 8.190 nan 0.000 0.451 220 E N 4.512 124.644 120.200 -0.114 0.000 2.222 220 E HA 0.686 5.035 4.350 -0.000 0.000 0.267 220 E C -0.835 175.814 176.600 0.080 0.000 0.884 220 E CA -0.873 55.527 56.400 -0.001 0.000 0.764 220 E CB 2.383 32.123 29.700 0.066 0.000 1.169 220 E HN 0.594 nan 8.360 nan 0.000 0.413 221 M N 2.965 122.603 119.600 0.063 0.000 2.134 221 M HA 0.298 4.778 4.480 -0.000 0.000 0.249 221 M C -0.451 175.883 176.300 0.056 0.000 0.955 221 M CA -0.411 54.924 55.300 0.059 0.000 1.037 221 M CB 1.156 33.776 32.600 0.032 0.000 2.110 221 M HN 0.359 nan 8.290 nan 0.000 0.449 222 R N 3.244 123.774 120.500 0.049 0.000 2.127 222 R HA 0.365 4.705 4.340 -0.000 0.000 0.217 222 R C -0.242 176.108 176.300 0.083 0.000 1.074 222 R CA 1.699 57.823 56.100 0.039 0.000 0.991 222 R CB 0.420 30.712 30.300 -0.013 0.000 0.895 222 R HN 0.763 nan 8.270 nan 0.000 0.450 223 R N -1.803 118.740 120.500 0.070 0.000 2.824 223 R HA 0.273 4.613 4.340 -0.000 0.000 0.267 223 R C -1.622 174.751 176.300 0.122 0.000 1.035 223 R CA -0.728 55.436 56.100 0.107 0.000 0.887 223 R CB 0.444 30.809 30.300 0.109 0.000 1.262 223 R HN 0.016 nan 8.270 nan 0.000 0.487 224 M N 1.104 120.775 119.600 0.119 0.000 2.456 224 M HA 0.417 4.897 4.480 -0.000 0.000 0.324 224 M C 0.654 177.011 176.300 0.096 0.000 1.124 224 M CA -0.709 54.636 55.300 0.075 0.000 0.959 224 M CB 2.402 34.961 32.600 -0.068 0.000 1.692 224 M HN 0.933 nan 8.290 nan 0.000 0.444 225 G N 1.678 110.461 108.800 -0.029 0.000 3.353 225 G HA2 0.474 4.434 3.960 -0.000 0.000 0.247 225 G HA3 0.474 4.434 3.960 -0.000 0.000 0.247 225 G C 0.364 175.208 174.900 -0.093 0.000 1.025 225 G CA 0.335 45.314 45.100 -0.202 0.000 1.863 225 G HN 1.088 nan 8.290 nan 0.000 0.635 226 G N -1.539 107.181 108.800 -0.133 0.000 2.697 226 G HA2 0.378 4.338 3.960 -0.000 0.000 0.686 226 G HA3 0.378 4.338 3.960 -0.000 0.000 0.686 226 G C 0.467 175.141 174.900 -0.377 0.000 1.179 226 G CA -0.344 44.580 45.100 -0.293 0.000 0.765 226 G HN 1.119 nan 8.290 nan 0.000 0.649 227 G N -0.593 107.764 108.800 -0.739 0.000 2.604 227 G HA2 0.560 4.519 3.960 -0.000 0.000 0.202 227 G HA3 0.560 4.519 3.960 -0.000 0.000 0.202 227 G C 0.861 175.631 174.900 -0.216 0.000 1.212 227 G CA 0.844 45.701 45.100 -0.406 0.000 0.627 227 G HN 1.748 nan 8.290 nan 0.000 0.850 228 F N 0.885 120.834 119.950 -0.000 0.000 3.069 228 F HA -0.190 4.337 4.527 -0.000 0.000 0.285 228 F C 1.943 177.740 175.800 -0.006 0.000 0.827 228 F CA 0.929 58.932 58.000 0.007 0.000 1.108 228 F CB -1.548 37.446 39.000 -0.010 0.000 1.252 228 F HN 1.202 nan 8.300 nan 0.000 0.483 229 G N -1.067 107.756 108.800 0.039 0.000 2.258 229 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.233 229 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.233 229 G C 1.185 176.017 174.900 -0.114 0.000 1.006 229 G CA 0.189 45.326 45.100 0.061 0.000 0.620 229 G HN 1.272 nan 8.290 nan 0.000 0.511 230 G N 0.037 108.501 108.800 -0.560 0.000 2.535 230 G HA2 0.111 4.071 3.960 -0.000 0.000 0.218 230 G HA3 0.111 4.071 3.960 -0.000 0.000 0.218 230 G C 1.192 175.895 174.900 -0.329 0.000 1.122 230 G CA 1.487 46.031 45.100 -0.926 0.000 0.769 230 G HN 0.549 nan 8.290 nan 0.000 0.549 231 K N -0.595 119.658 120.400 -0.246 0.000 2.501 231 K HA 0.164 4.484 4.320 -0.000 0.000 0.204 231 K C 1.321 177.871 176.600 -0.083 0.000 1.067 231 K CA -0.126 56.038 56.287 -0.204 0.000 1.060 231 K CB 0.744 33.073 32.500 -0.285 0.000 0.873 231 K HN 0.286 nan 8.250 nan 0.000 0.540 232 E N 0.944 121.125 120.200 -0.031 0.000 2.274 232 E HA -0.129 4.220 4.350 -0.000 0.000 0.194 232 E C 1.297 177.957 176.600 0.100 0.000 0.996 232 E CA 1.520 57.955 56.400 0.057 0.000 0.840 232 E CB 0.373 30.124 29.700 0.085 0.000 0.772 232 E HN 0.239 nan 8.360 nan 0.000 0.491 233 S N -2.077 113.659 115.700 0.061 0.000 2.597 233 S HA 0.006 4.476 4.470 -0.000 0.000 0.275 233 S C 1.481 176.132 174.600 0.085 0.000 1.040 233 S CA -0.501 57.737 58.200 0.063 0.000 1.187 233 S CB -0.132 63.112 63.200 0.073 0.000 0.988 233 S HN 0.021 nan 8.310 nan 0.000 0.490 234 Q N 2.065 121.913 119.800 0.080 0.000 2.197 234 Q HA -0.025 4.315 4.340 -0.000 0.000 0.207 234 Q C 2.073 178.143 176.000 0.116 0.000 0.984 234 Q CA 2.008 57.884 55.803 0.122 0.000 0.869 234 Q CB -1.390 27.392 28.738 0.074 0.000 0.906 234 Q HN 0.739 nan 8.270 nan 0.000 0.426 235 G N 0.903 109.710 108.800 0.012 0.000 2.479 235 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.220 235 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.220 235 G C 1.269 176.181 174.900 0.020 0.000 1.115 235 G CA 0.821 45.901 45.100 -0.034 0.000 0.757 235 G HN 0.466 nan 8.290 nan 0.000 0.560 236 N N -0.104 118.635 118.700 0.065 0.000 2.061 236 N HA -0.165 4.575 4.740 -0.000 0.000 0.193 236 N C 1.925 177.457 175.510 0.037 0.000 1.030 236 N CA 1.288 54.346 53.050 0.014 0.000 0.856 236 N CB -0.235 38.227 38.487 -0.041 0.000 1.023 236 N HN 0.428 nan 8.380 nan 0.000 0.424 237 H N 0.192 119.329 119.070 0.111 0.000 2.319 237 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 237 H C 1.911 177.364 175.328 0.208 0.000 1.092 237 H CA 1.100 57.291 56.048 0.237 0.000 1.302 237 H CB -0.275 29.731 29.762 0.406 0.000 1.373 237 H HN 0.123 nan 8.280 nan 0.000 0.497 238 L N -0.101 121.220 121.223 0.164 0.000 2.072 238 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 238 L C 2.653 179.500 176.870 -0.038 0.000 1.079 238 L CA 1.395 56.210 54.840 -0.040 0.000 0.752 238 L CB -0.717 41.198 42.059 -0.240 0.000 0.906 238 L HN 0.321 nan 8.230 nan 0.000 0.436 239 A N -0.132 122.671 122.820 -0.029 0.000 1.877 239 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 239 A C 2.300 179.867 177.584 -0.028 0.000 1.186 239 A CA 1.893 53.905 52.037 -0.041 0.000 0.620 239 A CB -0.819 18.152 19.000 -0.049 0.000 0.822 239 A HN 0.336 nan 8.150 nan 0.000 0.443 240 I N -0.208 120.360 120.570 -0.003 0.000 2.142 240 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 240 I C 2.982 179.097 176.117 -0.003 0.000 1.078 240 I CA 1.107 62.407 61.300 0.000 0.000 1.343 240 I CB -0.454 37.549 38.000 0.005 0.000 1.046 240 I HN 0.367 nan 8.210 nan 0.000 0.405 241 A N 0.204 123.049 122.820 0.040 0.000 1.848 241 A HA -0.334 3.986 4.320 -0.000 0.000 0.217 241 A C 2.491 180.014 177.584 -0.103 0.000 1.220 241 A CA 2.365 54.399 52.037 -0.004 0.000 0.645 241 A CB -1.574 17.422 19.000 -0.007 0.000 0.842 241 A HN 0.571 nan 8.150 nan 0.000 0.451 242 C N -1.221 118.025 119.300 -0.090 0.000 2.363 242 C HA -0.158 4.302 4.460 -0.000 0.000 0.274 242 C C 3.335 178.273 174.990 -0.087 0.000 1.183 242 C CA 1.381 60.345 59.018 -0.090 0.000 1.771 242 C CB -1.689 26.008 27.740 -0.072 0.000 2.059 242 C HN 0.735 nan 8.230 nan 0.000 0.455 243 A N -0.252 122.526 122.820 -0.071 0.000 1.873 243 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 243 A C 2.319 179.860 177.584 -0.071 0.000 1.193 243 A CA 2.485 54.487 52.037 -0.058 0.000 0.629 243 A CB -0.962 18.013 19.000 -0.042 0.000 0.826 243 A HN 0.386 nan 8.150 nan 0.000 0.447 244 V N -0.257 119.594 119.914 -0.105 0.000 2.343 244 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 244 V C 3.055 178.994 176.094 -0.259 0.000 1.051 244 V CA 2.026 64.237 62.300 -0.149 0.000 1.036 244 V CB -1.158 30.565 31.823 -0.167 0.000 0.654 244 V HN 0.649 nan 8.190 nan 0.000 0.451 245 A N -0.238 122.359 122.820 -0.371 0.000 1.933 245 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 245 A C 2.404 179.968 177.584 -0.034 0.000 1.175 245 A CA 2.016 53.868 52.037 -0.307 0.000 0.628 245 A CB -0.695 18.171 19.000 -0.224 0.000 0.814 245 A HN 0.568 nan 8.150 nan 0.000 0.444 246 A N -0.029 122.763 122.820 -0.047 0.000 1.898 246 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 246 A C 2.197 179.793 177.584 0.019 0.000 1.181 246 A CA 1.816 53.849 52.037 -0.007 0.000 0.620 246 A CB -0.497 18.489 19.000 -0.023 0.000 0.819 246 A HN 0.587 nan 8.150 nan 0.000 0.442 247 R N -0.102 120.406 120.500 0.013 0.000 2.094 247 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 247 R C 2.215 178.561 176.300 0.078 0.000 1.137 247 R CA 2.010 58.134 56.100 0.040 0.000 0.943 247 R CB -0.545 29.781 30.300 0.042 0.000 0.850 247 R HN 0.384 nan 8.270 nan 0.000 0.433 248 A N -0.239 122.654 122.820 0.123 0.000 1.898 248 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 248 A C 2.174 179.857 177.584 0.164 0.000 1.181 248 A CA 1.858 54.015 52.037 0.200 0.000 0.620 248 A CB -0.869 18.389 19.000 0.430 0.000 0.819 248 A HN 0.668 nan 8.150 nan 0.000 0.442 249 T N -4.078 110.570 114.554 0.157 0.000 3.129 249 T HA 0.371 4.721 4.350 -0.000 0.000 0.251 249 T C 1.474 176.214 174.700 0.066 0.000 1.117 249 T CA 1.050 63.216 62.100 0.112 0.000 1.034 249 T CB -0.139 68.797 68.868 0.114 0.000 0.968 249 T HN 1.618 nan 8.240 nan 0.000 0.526 250 G N 1.612 110.445 108.800 0.055 0.000 2.200 250 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.268 250 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.268 250 G C 0.177 175.092 174.900 0.025 0.000 0.986 250 G CA 0.351 45.472 45.100 0.035 0.000 0.677 250 G HN 0.657 nan 8.290 nan 0.000 0.532 251 R N -0.021 120.494 120.500 0.026 0.000 2.740 251 R HA 0.424 4.764 4.340 -0.000 0.000 0.282 251 R C -2.740 173.559 176.300 -0.002 0.000 0.969 251 R CA -2.178 53.930 56.100 0.013 0.000 0.918 251 R CB 1.692 32.003 30.300 0.018 0.000 1.175 251 R HN -0.044 nan 8.270 nan 0.000 0.464 252 P HA -0.032 nan 4.420 nan 0.000 0.262 252 P C -0.768 176.496 177.300 -0.060 0.000 1.182 252 P CA 0.080 63.162 63.100 -0.030 0.000 0.761 252 P CB 0.420 32.102 31.700 -0.030 0.000 0.795 253 C N 5.158 124.420 119.300 -0.063 0.000 2.383 253 C HA 0.379 4.839 4.460 -0.000 0.000 0.330 253 C C 0.195 175.132 174.990 -0.088 0.000 1.168 253 C CA -0.437 58.531 59.018 -0.084 0.000 1.374 253 C CB 0.447 28.151 27.740 -0.060 0.000 2.014 253 C HN 0.503 nan 8.230 nan 0.000 0.439 254 K N 3.967 124.288 120.400 -0.131 0.000 2.164 254 K HA 0.749 5.069 4.320 -0.000 0.000 0.258 254 K C -1.118 175.477 176.600 -0.009 0.000 0.951 254 K CA -0.394 55.851 56.287 -0.071 0.000 0.844 254 K CB 1.507 33.964 32.500 -0.072 0.000 1.099 254 K HN 0.796 nan 8.250 nan 0.000 0.435 255 M N 4.319 123.912 119.600 -0.012 0.000 2.326 255 M HA 0.370 4.850 4.480 -0.000 0.000 0.292 255 M C -1.713 174.565 176.300 -0.038 0.000 1.081 255 M CA -0.689 54.606 55.300 -0.008 0.000 0.919 255 M CB 1.784 34.316 32.600 -0.113 0.000 1.634 255 M HN 0.652 nan 8.290 nan 0.000 0.451 256 R N 3.298 123.822 120.500 0.040 0.000 2.621 256 R HA 0.474 4.814 4.340 -0.000 0.000 0.284 256 R C -1.898 174.514 176.300 0.186 0.000 0.998 256 R CA -0.781 55.311 56.100 -0.014 0.000 0.895 256 R CB 1.144 31.405 30.300 -0.064 0.000 1.195 256 R HN 0.611 nan 8.270 nan 0.000 0.450 257 Y N 1.364 121.691 120.300 0.045 0.000 2.465 257 Y HA 0.011 4.561 4.550 -0.000 0.000 0.331 257 Y C 0.511 176.465 175.900 0.090 0.000 1.102 257 Y CA -0.564 57.582 58.100 0.077 0.000 1.358 257 Y CB 0.948 39.448 38.460 0.067 0.000 1.213 257 Y HN 0.646 nan 8.280 nan 0.000 0.525 258 D N 1.860 122.438 120.400 0.297 0.000 2.400 258 D HA -0.021 4.619 4.640 -0.000 0.000 0.238 258 D C 1.297 177.672 176.300 0.126 0.000 1.157 258 D CA 0.125 54.242 54.000 0.195 0.000 0.889 258 D CB 0.879 41.788 40.800 0.182 0.000 1.199 258 D HN 0.474 nan 8.370 nan 0.000 0.436 259 R N 1.316 121.862 120.500 0.077 0.000 2.096 259 R HA -0.200 4.140 4.340 -0.000 0.000 0.240 259 R C 1.054 177.379 176.300 0.041 0.000 1.139 259 R CA 2.144 58.259 56.100 0.025 0.000 0.952 259 R CB -0.216 30.077 30.300 -0.011 0.000 0.854 259 R HN 0.527 nan 8.270 nan 0.000 0.436 260 D N -0.003 120.441 120.400 0.073 0.000 2.117 260 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 260 D C 1.372 177.672 176.300 0.001 0.000 0.987 260 D CA 1.511 55.571 54.000 0.100 0.000 0.829 260 D CB -0.251 40.635 40.800 0.142 0.000 0.961 260 D HN 0.299 nan 8.370 nan 0.000 0.460 261 D N 0.183 120.557 120.400 -0.043 0.000 2.144 261 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 261 D C 1.662 177.837 176.300 -0.208 0.000 0.978 261 D CA 0.723 54.627 54.000 -0.160 0.000 0.833 261 D CB -0.250 40.412 40.800 -0.230 0.000 0.961 261 D HN 0.193 nan 8.370 nan 0.000 0.470 262 D N 0.295 120.650 120.400 -0.075 0.000 2.092 262 D HA -0.122 4.518 4.640 -0.000 0.000 0.193 262 D C 2.066 178.391 176.300 0.041 0.000 0.994 262 D CA 0.868 54.910 54.000 0.069 0.000 0.828 262 D CB 0.063 40.985 40.800 0.204 0.000 0.963 262 D HN 0.177 nan 8.370 nan 0.000 0.450 263 M N -0.001 119.605 119.600 0.009 0.000 2.374 263 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 263 M C 2.217 178.536 176.300 0.031 0.000 1.067 263 M CA 0.508 55.808 55.300 0.001 0.000 1.103 263 M CB 0.142 32.745 32.600 0.005 0.000 1.402 263 M HN -0.057 nan 8.290 nan 0.000 0.444 264 V N 0.305 120.231 119.914 0.020 0.000 2.575 264 V HA -0.106 4.014 4.120 -0.000 0.000 0.242 264 V C 2.112 178.310 176.094 0.173 0.000 1.045 264 V CA 1.122 63.458 62.300 0.059 0.000 1.065 264 V CB -0.067 31.726 31.823 -0.050 0.000 0.717 264 V HN 0.339 nan 8.190 nan 0.000 0.467 265 I N 0.374 120.986 120.570 0.069 0.000 2.277 265 I HA -0.067 4.103 4.170 -0.000 0.000 0.243 265 I C 1.487 177.700 176.117 0.160 0.000 1.094 265 I CA 1.117 62.506 61.300 0.147 0.000 1.393 265 I CB -0.441 37.507 38.000 -0.086 0.000 1.078 265 I HN 0.417 nan 8.210 nan 0.000 0.417 266 T N -0.393 114.234 114.554 0.120 0.000 2.849 266 T HA 0.493 4.843 4.350 -0.000 0.000 0.284 266 T C 0.481 175.238 174.700 0.094 0.000 1.004 266 T CA -0.514 61.666 62.100 0.132 0.000 1.021 266 T CB 1.292 70.288 68.868 0.215 0.000 1.013 266 T HN 0.230 nan 8.240 nan 0.000 0.527 267 G N 0.678 109.534 108.800 0.093 0.000 2.634 267 G HA2 0.520 4.480 3.960 -0.000 0.000 0.255 267 G HA3 0.520 4.480 3.960 -0.000 0.000 0.255 267 G C -0.646 174.351 174.900 0.163 0.000 1.205 267 G CA -0.747 44.400 45.100 0.077 0.000 0.884 267 G HN 0.821 nan 8.290 nan 0.000 0.549 268 K N -1.042 119.420 120.400 0.104 0.000 2.439 268 K HA 0.406 4.726 4.320 -0.000 0.000 0.260 268 K C -0.036 176.614 176.600 0.082 0.000 1.032 268 K CA -0.947 55.399 56.287 0.100 0.000 0.882 268 K CB 2.017 34.574 32.500 0.094 0.000 1.420 268 K HN 0.478 nan 8.250 nan 0.000 0.455 269 R N 1.265 121.843 120.500 0.129 0.000 2.585 269 R HA 0.006 4.346 4.340 -0.000 0.000 0.275 269 R C -0.723 175.634 176.300 0.095 0.000 1.018 269 R CA 0.031 56.188 56.100 0.095 0.000 1.072 269 R CB 0.116 30.320 30.300 -0.160 0.000 0.953 269 R HN 0.539 nan 8.270 nan 0.000 0.419 270 H N 2.815 121.936 119.070 0.085 0.000 3.091 270 H HA -0.044 4.512 4.556 -0.000 0.000 0.289 270 H C -0.158 175.307 175.328 0.228 0.000 0.995 270 H CA 0.844 56.951 56.048 0.098 0.000 1.461 270 H CB 0.221 30.030 29.762 0.078 0.000 1.510 270 H HN 0.529 nan 8.280 nan 0.000 0.546 271 D N 2.978 123.509 120.400 0.219 0.000 2.313 271 D HA 0.187 4.827 4.640 -0.000 0.000 0.247 271 D C -0.374 176.016 176.300 0.150 0.000 1.094 271 D CA -0.228 53.926 54.000 0.258 0.000 0.925 271 D CB 1.287 42.203 40.800 0.193 0.000 1.188 271 D HN 0.271 nan 8.370 nan 0.000 0.430 272 F N -0.521 119.430 119.950 0.001 0.000 2.578 272 F HA 0.354 4.881 4.527 -0.000 0.000 0.311 272 F C 0.381 176.121 175.800 -0.099 0.000 1.094 272 F CA -1.127 56.843 58.000 -0.050 0.000 0.923 272 F CB 2.618 41.554 39.000 -0.107 0.000 1.230 272 F HN 0.141 nan 8.300 nan 0.000 0.450 273 R N 3.990 124.557 120.500 0.112 0.000 2.445 273 R HA 0.732 5.072 4.340 -0.000 0.000 0.308 273 R C -1.600 174.820 176.300 0.200 0.000 0.961 273 R CA -0.437 55.712 56.100 0.081 0.000 0.862 273 R CB 1.050 31.386 30.300 0.060 0.000 1.144 273 R HN 0.691 nan 8.270 nan 0.000 0.447 274 I N 4.180 124.866 120.570 0.193 0.000 2.447 274 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 274 I C -0.248 176.156 176.117 0.480 0.000 1.023 274 I CA -0.752 60.790 61.300 0.404 0.000 1.083 274 I CB 2.048 40.310 38.000 0.437 0.000 1.245 274 I HN 0.455 nan 8.210 nan 0.000 0.434 275 R N 5.932 126.679 120.500 0.412 0.000 2.393 275 R HA 0.591 4.931 4.340 -0.000 0.000 0.310 275 R C -1.699 174.799 176.300 0.329 0.000 0.968 275 R CA -0.578 55.678 56.100 0.261 0.000 0.867 275 R CB 1.703 32.091 30.300 0.147 0.000 1.124 275 R HN 0.580 nan 8.270 nan 0.000 0.450 276 Y N -0.130 120.278 120.300 0.181 0.000 2.524 276 Y HA 0.636 5.186 4.550 -0.000 0.000 0.347 276 Y C -1.162 174.689 175.900 -0.082 0.000 1.005 276 Y CA -1.368 56.740 58.100 0.013 0.000 1.025 276 Y CB 1.522 40.039 38.460 0.094 0.000 1.275 276 Y HN 0.384 nan 8.280 nan 0.000 0.460 277 R N 3.255 123.726 120.500 -0.048 0.000 2.514 277 R HA 0.684 5.024 4.340 -0.000 0.000 0.296 277 R C -1.858 174.368 176.300 -0.124 0.000 1.012 277 R CA -0.641 55.427 56.100 -0.055 0.000 0.897 277 R CB 2.399 32.650 30.300 -0.081 0.000 1.184 277 R HN 0.943 nan 8.270 nan 0.000 0.440 278 I N 1.280 121.810 120.570 -0.067 0.000 2.647 278 I HA 0.764 4.934 4.170 -0.000 0.000 0.295 278 I C -0.850 175.213 176.117 -0.090 0.000 1.078 278 I CA -0.509 60.721 61.300 -0.117 0.000 1.048 278 I CB 2.151 40.072 38.000 -0.132 0.000 1.239 278 I HN 0.718 nan 8.210 nan 0.000 0.421 279 G N 4.920 113.669 108.800 -0.084 0.000 2.620 279 G HA2 0.841 4.800 3.960 -0.000 0.000 0.301 279 G HA3 0.841 4.800 3.960 -0.000 0.000 0.301 279 G C -1.826 173.049 174.900 -0.042 0.000 1.347 279 G CA -0.400 44.668 45.100 -0.054 0.000 0.971 279 G HN 0.894 nan 8.290 nan 0.000 0.488 280 A N 1.078 123.895 122.820 -0.004 0.000 2.569 280 A HA 0.779 5.099 4.320 -0.000 0.000 0.290 280 A C -0.659 176.944 177.584 0.031 0.000 1.136 280 A CA -0.665 51.376 52.037 0.007 0.000 0.710 280 A CB 1.282 20.277 19.000 -0.008 0.000 1.303 280 A HN 0.557 nan 8.150 nan 0.000 0.413 281 D N 0.056 120.469 120.400 0.021 0.000 2.335 281 D HA 0.352 4.992 4.640 -0.000 0.000 0.236 281 D C 1.630 177.957 176.300 0.045 0.000 1.297 281 D CA 1.035 55.043 54.000 0.012 0.000 0.906 281 D CB 0.560 41.367 40.800 0.013 0.000 1.164 281 D HN 0.618 nan 8.370 nan 0.000 0.469 282 A N 0.238 123.054 122.820 -0.006 0.000 1.933 282 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 282 A C 2.023 179.643 177.584 0.060 0.000 1.175 282 A CA 2.162 54.208 52.037 0.014 0.000 0.628 282 A CB -0.672 18.311 19.000 -0.028 0.000 0.814 282 A HN 0.506 nan 8.150 nan 0.000 0.444 283 S N -1.951 113.767 115.700 0.029 0.000 2.453 283 S HA 0.329 4.799 4.470 -0.000 0.000 0.231 283 S C 1.408 176.013 174.600 0.009 0.000 1.005 283 S CA 1.155 59.365 58.200 0.016 0.000 0.949 283 S CB -0.325 62.878 63.200 0.005 0.000 0.774 283 S HN 1.960 nan 8.310 nan 0.000 0.510 284 G N 0.739 109.550 108.800 0.020 0.000 2.145 284 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.176 284 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.176 284 G C -0.304 174.575 174.900 -0.034 0.000 1.013 284 G CA -0.373 44.718 45.100 -0.016 0.000 0.689 284 G HN 0.378 nan 8.290 nan 0.000 0.506 285 K N 0.757 121.150 120.400 -0.011 0.000 2.211 285 K HA 0.452 4.772 4.320 -0.000 0.000 0.275 285 K C 1.063 177.658 176.600 -0.008 0.000 1.024 285 K CA -0.677 55.607 56.287 -0.005 0.000 0.887 285 K CB 1.362 33.874 32.500 0.020 0.000 1.084 285 K HN 0.317 nan 8.250 nan 0.000 0.463 286 L N 4.762 125.970 121.223 -0.025 0.000 2.601 286 L HA -0.082 4.258 4.340 -0.000 0.000 0.277 286 L C 1.544 178.404 176.870 -0.017 0.000 1.219 286 L CA 0.156 54.971 54.840 -0.043 0.000 0.915 286 L CB 0.078 42.096 42.059 -0.068 0.000 1.160 286 L HN 0.517 nan 8.230 nan 0.000 0.494 287 L N 3.031 124.237 121.223 -0.028 0.000 2.357 287 L HA 0.325 4.665 4.340 -0.000 0.000 0.211 287 L C 0.899 177.744 176.870 -0.042 0.000 1.075 287 L CA 0.319 55.148 54.840 -0.019 0.000 0.830 287 L CB 0.186 42.235 42.059 -0.016 0.000 0.996 287 L HN 0.785 nan 8.230 nan 0.000 0.467 288 G N -0.512 108.251 108.800 -0.061 0.000 2.633 288 G HA2 0.586 4.546 3.960 -0.000 0.000 0.299 288 G HA3 0.586 4.546 3.960 -0.000 0.000 0.299 288 G C -2.009 172.831 174.900 -0.101 0.000 1.501 288 G CA 0.060 45.116 45.100 -0.072 0.000 0.887 288 G HN 0.037 nan 8.290 nan 0.000 0.561 289 A N 0.789 123.539 122.820 -0.117 0.000 2.386 289 A HA 0.839 5.159 4.320 -0.000 0.000 0.311 289 A C -1.394 176.026 177.584 -0.274 0.000 1.068 289 A CA -0.581 51.309 52.037 -0.246 0.000 0.743 289 A CB 2.275 21.127 19.000 -0.247 0.000 1.258 289 A HN 0.724 nan 8.150 nan 0.000 0.429 290 D N 0.872 121.031 120.400 -0.401 0.000 2.593 290 D HA 0.638 5.278 4.640 -0.000 0.000 0.251 290 D C -1.525 174.578 176.300 -0.329 0.000 1.140 290 D CA 0.071 53.925 54.000 -0.244 0.000 0.855 290 D CB 0.609 41.341 40.800 -0.113 0.000 1.267 290 D HN 0.275 nan 8.370 nan 0.000 0.532 291 F N 2.473 122.441 119.950 0.031 0.000 2.520 291 F HA 0.560 5.087 4.527 -0.000 0.000 0.322 291 F C -0.234 175.550 175.800 -0.027 0.000 1.103 291 F CA -1.045 56.974 58.000 0.031 0.000 0.926 291 F CB 2.089 41.054 39.000 -0.057 0.000 1.154 291 F HN 0.004 nan 8.300 nan 0.000 0.453 292 V N 3.036 123.122 119.914 0.287 0.000 2.407 292 V HA 0.298 4.418 4.120 -0.000 0.000 0.291 292 V C -0.689 175.630 176.094 0.376 0.000 1.018 292 V CA -0.690 61.750 62.300 0.234 0.000 0.842 292 V CB 1.408 33.362 31.823 0.219 0.000 0.996 292 V HN 0.726 nan 8.190 nan 0.000 0.426 293 H N 5.626 124.860 119.070 0.273 0.000 2.519 293 H HA 0.570 5.126 4.556 -0.000 0.000 0.316 293 H C -0.733 174.742 175.328 0.244 0.000 1.065 293 H CA -0.768 55.463 56.048 0.306 0.000 1.264 293 H CB 1.462 31.416 29.762 0.322 0.000 1.413 293 H HN 0.424 nan 8.280 nan 0.000 0.465 294 L N 3.443 124.828 121.223 0.270 0.000 2.318 294 L HA 0.510 4.850 4.340 -0.000 0.000 0.277 294 L C -0.100 176.632 176.870 -0.230 0.000 1.008 294 L CA -0.705 54.176 54.840 0.067 0.000 0.846 294 L CB 1.195 43.278 42.059 0.040 0.000 1.220 294 L HN 0.583 nan 8.230 nan 0.000 0.423 295 A N 3.811 126.389 122.820 -0.404 0.000 2.312 295 A HA 0.590 4.910 4.320 -0.000 0.000 0.326 295 A C -0.273 177.142 177.584 -0.283 0.000 1.172 295 A CA -0.642 50.936 52.037 -0.764 0.000 0.821 295 A CB 1.110 19.503 19.000 -1.012 0.000 1.166 295 A HN 0.748 nan 8.150 nan 0.000 0.493 296 R N 2.579 122.952 120.500 -0.212 0.000 2.204 296 R HA 0.308 4.648 4.340 -0.000 0.000 0.341 296 R C -0.375 175.895 176.300 -0.050 0.000 1.035 296 R CA -0.307 55.731 56.100 -0.103 0.000 0.887 296 R CB 0.238 30.460 30.300 -0.130 0.000 1.114 296 R HN 0.815 nan 8.270 nan 0.000 0.473 297 C N 3.040 122.367 119.300 0.045 0.000 2.634 297 C HA 0.305 4.765 4.460 -0.000 0.000 0.268 297 C C 1.266 176.239 174.990 -0.030 0.000 1.322 297 C CA 0.632 59.703 59.018 0.088 0.000 1.737 297 C CB -0.903 26.999 27.740 0.270 0.000 1.976 297 C HN 1.107 nan 8.230 nan 0.000 0.547 298 G N 0.859 109.664 108.800 0.010 0.000 2.681 298 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 298 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 298 G C 0.387 175.410 174.900 0.206 0.000 1.353 298 G CA 0.145 45.264 45.100 0.033 0.000 0.872 298 G HN 0.591 nan 8.290 nan 0.000 0.557 299 W N 0.492 121.810 121.300 0.030 0.000 2.770 299 W HA 0.416 5.076 4.660 -0.000 0.000 0.256 299 W C 0.817 177.471 176.519 0.225 0.000 1.291 299 W CA 1.241 58.654 57.345 0.112 0.000 1.396 299 W CB -1.181 28.348 29.460 0.116 0.000 1.114 299 W HN 1.381 nan 8.180 nan 0.000 0.637 300 S N -0.890 114.467 115.700 -0.572 0.000 2.599 300 S HA 0.690 5.160 4.470 -0.000 0.000 0.287 300 S C 0.875 175.056 174.600 -0.698 0.000 1.105 300 S CA -0.180 57.657 58.200 -0.604 0.000 0.899 300 S CB 2.109 64.578 63.200 -1.218 0.000 1.100 300 S HN 0.146 nan 8.310 nan 0.000 0.482 301 A N 1.763 124.065 122.820 -0.863 0.000 1.859 301 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 301 A C 1.266 178.524 177.584 -0.544 0.000 1.209 301 A CA 2.606 54.041 52.037 -1.004 0.000 0.639 301 A CB -2.042 16.605 19.000 -0.589 0.000 0.835 301 A HN 1.437 nan 8.150 nan 0.000 0.450 302 D N -2.326 117.857 120.400 -0.361 0.000 3.771 302 D HA -0.248 4.392 4.640 -0.000 0.000 0.145 302 D C 0.325 176.562 176.300 -0.104 0.000 0.892 302 D CA 2.296 56.184 54.000 -0.187 0.000 1.080 302 D CB -1.221 39.491 40.800 -0.146 0.000 0.498 302 D HN 0.284 nan 8.370 nan 0.000 0.499 303 L N 0.333 121.548 121.223 -0.013 0.000 2.872 303 L HA 0.345 4.685 4.340 -0.000 0.000 0.245 303 L C 1.738 178.570 176.870 -0.064 0.000 1.211 303 L CA -0.031 54.848 54.840 0.066 0.000 1.013 303 L CB 0.369 42.596 42.059 0.280 0.000 1.326 303 L HN 0.141 nan 8.230 nan 0.000 0.525 304 S N 0.595 116.220 115.700 -0.125 0.000 2.400 304 S HA -0.176 4.294 4.470 -0.000 0.000 0.232 304 S C 1.840 176.272 174.600 -0.281 0.000 1.025 304 S CA 1.360 59.411 58.200 -0.248 0.000 0.993 304 S CB -0.039 63.083 63.200 -0.130 0.000 0.808 304 S HN 0.466 nan 8.310 nan 0.000 0.478 305 L N 1.786 122.907 121.223 -0.171 0.000 1.988 305 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 305 L C -1.138 175.712 176.870 -0.034 0.000 1.071 305 L CA 1.326 56.114 54.840 -0.087 0.000 0.744 305 L CB -1.071 40.965 42.059 -0.038 0.000 0.893 305 L HN 0.155 nan 8.230 nan 0.000 0.433 306 P HA -0.163 nan 4.420 nan 0.000 0.215 306 P C 1.972 179.249 177.300 -0.037 0.000 1.157 306 P CA 1.471 64.694 63.100 0.204 0.000 0.868 306 P CB -0.051 31.951 31.700 0.503 0.000 0.788 307 V N -0.586 118.979 119.914 -0.582 0.000 2.324 307 V HA -0.308 3.812 4.120 -0.000 0.000 0.250 307 V C 2.504 178.375 176.094 -0.371 0.000 1.060 307 V CA 2.149 63.903 62.300 -0.909 0.000 1.042 307 V CB -1.464 29.771 31.823 -0.981 0.000 0.650 307 V HN 0.212 nan 8.190 nan 0.000 0.450 308 C N -0.354 118.791 119.300 -0.258 0.000 2.464 308 C HA -0.064 4.396 4.460 -0.000 0.000 0.278 308 C C 2.432 177.408 174.990 -0.023 0.000 1.375 308 C CA 0.337 59.304 59.018 -0.085 0.000 1.761 308 C CB -1.019 26.657 27.740 -0.106 0.000 1.944 308 C HN 0.603 nan 8.230 nan 0.000 0.509 309 D N 0.737 121.146 120.400 0.014 0.000 2.104 309 D HA -0.147 4.493 4.640 -0.000 0.000 0.194 309 D C 2.293 178.715 176.300 0.204 0.000 0.994 309 D CA 1.134 55.226 54.000 0.153 0.000 0.830 309 D CB -0.444 40.553 40.800 0.328 0.000 0.959 309 D HN 0.435 nan 8.370 nan 0.000 0.452 310 R N 0.318 120.910 120.500 0.153 0.000 2.081 310 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 310 R C 2.166 178.551 176.300 0.141 0.000 1.131 310 R CA 1.321 57.526 56.100 0.175 0.000 0.960 310 R CB -0.176 30.206 30.300 0.137 0.000 0.856 310 R HN 0.132 nan 8.270 nan 0.000 0.436 311 A N 0.562 123.389 122.820 0.011 0.000 1.940 311 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 311 A C 2.144 179.830 177.584 0.170 0.000 1.176 311 A CA 1.649 53.653 52.037 -0.056 0.000 0.631 311 A CB -0.408 18.424 19.000 -0.280 0.000 0.814 311 A HN 0.303 nan 8.150 nan 0.000 0.446 312 M N -1.242 118.490 119.600 0.220 0.000 2.099 312 M HA -0.086 4.393 4.480 -0.000 0.000 0.262 312 M C 1.916 178.546 176.300 0.549 0.000 1.067 312 M CA 1.005 56.474 55.300 0.282 0.000 1.124 312 M CB -0.421 32.084 32.600 -0.159 0.000 1.353 312 M HN 0.293 nan 8.290 nan 0.000 0.410 313 L N -0.352 121.163 121.223 0.486 0.000 2.129 313 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 313 L C 1.697 178.694 176.870 0.212 0.000 1.087 313 L CA 2.027 56.988 54.840 0.202 0.000 0.757 313 L CB -1.351 40.700 42.059 -0.013 0.000 0.896 313 L HN 0.344 nan 8.230 nan 0.000 0.434 314 H N -2.132 117.045 119.070 0.179 0.000 2.520 314 H HA 0.373 4.929 4.556 -0.000 0.000 0.284 314 H C 1.791 177.172 175.328 0.088 0.000 1.037 314 H CA 0.459 56.566 56.048 0.098 0.000 1.168 314 H CB 0.088 29.796 29.762 -0.090 0.000 1.497 314 H HN 0.183 nan 8.280 nan 0.000 0.547 315 A N 0.890 123.821 122.820 0.185 0.000 2.178 315 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 315 A C 1.675 179.213 177.584 -0.076 0.000 1.157 315 A CA 1.513 53.490 52.037 -0.101 0.000 0.689 315 A CB -0.167 18.722 19.000 -0.185 0.000 0.787 315 A HN 0.526 nan 8.150 nan 0.000 0.465 316 D N -1.052 119.426 120.400 0.129 0.000 2.349 316 D HA 0.222 4.862 4.640 -0.000 0.000 0.224 316 D C 1.242 177.676 176.300 0.224 0.000 1.029 316 D CA 0.930 55.061 54.000 0.218 0.000 0.879 316 D CB -0.878 40.174 40.800 0.420 0.000 0.906 316 D HN 0.549 nan 8.370 nan 0.000 0.528 317 G N 0.857 109.751 108.800 0.157 0.000 2.652 317 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.318 317 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.318 317 G C 0.841 175.682 174.900 -0.099 0.000 1.295 317 G CA 0.963 46.107 45.100 0.075 0.000 0.999 317 G HN 0.346 nan 8.290 nan 0.000 0.548 318 S N 0.525 115.889 115.700 -0.561 0.000 2.605 318 S HA 0.359 4.829 4.470 -0.000 0.000 0.217 318 S C -0.107 174.268 174.600 -0.376 0.000 0.958 318 S CA 0.486 58.389 58.200 -0.496 0.000 0.919 318 S CB -0.063 62.805 63.200 -0.553 0.000 0.780 318 S HN 0.429 nan 8.310 nan 0.000 0.507 319 Y N -0.000 120.372 120.300 0.120 0.000 2.429 319 Y HA 0.518 5.068 4.550 -0.000 0.000 0.342 319 Y C -0.262 175.322 175.900 -0.527 0.000 1.004 319 Y CA -1.757 56.273 58.100 -0.117 0.000 1.075 319 Y CB 0.616 39.071 38.460 -0.009 0.000 1.214 319 Y HN 0.066 nan 8.280 nan 0.000 0.455 320 F N 3.215 122.757 119.950 -0.681 0.000 2.504 320 F HA 0.490 5.017 4.527 0.000 0.000 0.369 320 F C -0.710 175.002 175.800 -0.146 0.000 1.082 320 F CA -0.472 57.182 58.000 -0.577 0.000 1.216 320 F CB 0.379 39.133 39.000 -0.411 0.000 1.108 320 F HN 0.189 nan 8.300 nan 0.000 0.554 321 V N 9.372 128.745 119.914 -0.903 0.000 2.447 321 V HA 0.212 4.332 4.120 -0.000 0.000 0.292 321 V C -1.701 173.935 176.094 -0.762 0.000 1.021 321 V CA -1.281 60.685 62.300 -0.556 0.000 0.850 321 V CB 1.387 33.089 31.823 -0.202 0.000 1.005 321 V HN 0.626 nan 8.190 nan 0.000 0.426 322 P HA -0.140 nan 4.420 nan 0.000 0.214 322 P C 0.380 177.592 177.300 -0.147 0.000 1.169 322 P CA 1.707 64.664 63.100 -0.239 0.000 0.908 322 P CB 0.363 32.058 31.700 -0.007 0.000 0.791 323 A N -0.941 121.820 122.820 -0.099 0.000 2.343 323 A HA 0.710 5.029 4.320 -0.000 0.000 0.316 323 A C -1.263 176.300 177.584 -0.034 0.000 1.104 323 A CA -0.552 51.462 52.037 -0.038 0.000 0.768 323 A CB 0.768 19.761 19.000 -0.011 0.000 1.213 323 A HN 0.149 nan 8.150 nan 0.000 0.456 324 L N 2.160 123.393 121.223 0.016 0.000 2.505 324 L HA 0.725 5.065 4.340 -0.000 0.000 0.266 324 L C -0.729 176.200 176.870 0.098 0.000 0.954 324 L CA -0.481 54.383 54.840 0.039 0.000 0.852 324 L CB 1.731 43.807 42.059 0.029 0.000 1.282 324 L HN 0.913 nan 8.230 nan 0.000 0.403 325 R N 4.790 125.345 120.500 0.092 0.000 2.599 325 R HA 0.822 5.162 4.340 -0.000 0.000 0.295 325 R C -1.832 174.551 176.300 0.139 0.000 0.963 325 R CA -0.440 55.736 56.100 0.128 0.000 0.883 325 R CB 1.675 32.028 30.300 0.088 0.000 1.171 325 R HN 0.637 nan 8.270 nan 0.000 0.450 326 I N 2.148 122.798 120.570 0.135 0.000 2.498 326 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 326 I C -0.643 175.432 176.117 -0.070 0.000 1.032 326 I CA -0.593 60.710 61.300 0.005 0.000 1.073 326 I CB 2.201 40.156 38.000 -0.075 0.000 1.251 326 I HN 0.620 nan 8.210 nan 0.000 0.426 327 E N 4.073 124.210 120.200 -0.104 0.000 2.155 327 E HA 0.416 4.766 4.350 -0.000 0.000 0.264 327 E C -1.236 175.231 176.600 -0.223 0.000 0.886 327 E CA -0.327 55.981 56.400 -0.153 0.000 0.752 327 E CB 1.476 31.152 29.700 -0.040 0.000 1.133 327 E HN 0.525 nan 8.360 nan 0.000 0.414 328 S N 4.827 120.326 115.700 -0.335 0.000 2.594 328 S HA 0.273 4.743 4.470 -0.000 0.000 0.322 328 S C -1.045 173.373 174.600 -0.302 0.000 1.085 328 S CA -0.720 57.360 58.200 -0.201 0.000 1.116 328 S CB 0.250 63.358 63.200 -0.152 0.000 0.979 328 S HN 0.505 nan 8.310 nan 0.000 0.465 329 H N 5.142 124.221 119.070 0.015 0.000 2.552 329 H HA 0.348 4.904 4.556 -0.000 0.000 0.311 329 H C -0.013 175.296 175.328 -0.032 0.000 1.071 329 H CA -0.667 55.375 56.048 -0.009 0.000 1.307 329 H CB 0.707 30.465 29.762 -0.006 0.000 1.416 329 H HN 0.497 nan 8.280 nan 0.000 0.464 330 R N 4.309 124.858 120.500 0.082 0.000 2.369 330 R HA 0.302 4.642 4.340 -0.000 0.000 0.310 330 R C -0.341 176.052 176.300 0.154 0.000 1.141 330 R CA -0.563 55.587 56.100 0.084 0.000 1.116 330 R CB 0.246 30.604 30.300 0.097 0.000 1.135 330 R HN 0.444 nan 8.270 nan 0.000 0.529 331 L N 2.518 123.794 121.223 0.087 0.000 2.305 331 L HA 0.440 4.780 4.340 -0.000 0.000 0.281 331 L C 0.886 177.774 176.870 0.029 0.000 1.085 331 L CA -0.596 54.257 54.840 0.022 0.000 0.813 331 L CB 0.968 43.012 42.059 -0.025 0.000 1.157 331 L HN 0.310 nan 8.230 nan 0.000 0.436 332 R N 2.205 122.612 120.500 -0.155 0.000 2.265 332 R HA 0.425 4.765 4.340 -0.000 0.000 0.314 332 R C -0.540 175.706 176.300 -0.089 0.000 1.053 332 R CA -0.137 55.830 56.100 -0.222 0.000 0.931 332 R CB 0.892 30.773 30.300 -0.698 0.000 1.024 332 R HN 0.821 nan 8.270 nan 0.000 0.457 333 T N 0.273 114.824 114.554 -0.005 0.000 2.896 333 T HA 0.253 4.603 4.350 -0.000 0.000 0.297 333 T C -0.110 174.616 174.700 0.043 0.000 1.108 333 T CA -1.055 61.028 62.100 -0.028 0.000 1.004 333 T CB 1.448 70.251 68.868 -0.110 0.000 1.159 333 T HN 0.586 nan 8.240 nan 0.000 0.499 334 N N 1.436 120.149 118.700 0.020 0.000 2.878 334 N HA 0.280 5.020 4.740 -0.000 0.000 0.282 334 N C 0.020 175.560 175.510 0.050 0.000 1.284 334 N CA -0.178 52.923 53.050 0.086 0.000 1.053 334 N CB 0.076 38.590 38.487 0.045 0.000 1.382 334 N HN 0.805 nan 8.380 nan 0.000 0.529 335 T N -3.694 110.856 114.554 -0.008 0.000 2.831 335 T HA 0.350 4.700 4.350 -0.000 0.000 0.287 335 T C -0.142 174.473 174.700 -0.142 0.000 1.070 335 T CA -1.056 60.981 62.100 -0.105 0.000 1.010 335 T CB 0.884 69.453 68.868 -0.498 0.000 1.264 335 T HN -0.173 nan 8.240 nan 0.000 0.532 336 Q N 1.507 121.158 119.800 -0.248 0.000 2.368 336 Q HA 0.219 4.559 4.340 -0.000 0.000 0.331 336 Q C 0.263 176.152 176.000 -0.184 0.000 1.086 336 Q CA 0.418 55.967 55.803 -0.424 0.000 1.031 336 Q CB 0.137 28.816 28.738 -0.098 0.000 1.125 336 Q HN 0.686 nan 8.270 nan 0.000 0.389 337 S N 3.403 119.010 115.700 -0.154 0.000 2.466 337 S HA 0.084 4.554 4.470 -0.000 0.000 0.286 337 S C -0.104 174.384 174.600 -0.186 0.000 1.221 337 S CA -0.639 57.423 58.200 -0.230 0.000 1.091 337 S CB -0.032 62.900 63.200 -0.447 0.000 0.956 337 S HN 0.465 nan 8.310 nan 0.000 0.501 338 N N 3.023 121.563 118.700 -0.267 0.000 2.513 338 N HA 0.406 5.146 4.740 -0.000 0.000 0.274 338 N C 0.266 175.669 175.510 -0.178 0.000 1.189 338 N CA -0.044 52.786 53.050 -0.368 0.000 0.975 338 N CB 1.606 39.525 38.487 -0.947 0.000 1.157 338 N HN 0.676 nan 8.380 nan 0.000 0.465 339 T N -1.101 113.463 114.554 0.017 0.000 2.590 339 T HA 0.667 5.017 4.350 -0.000 0.000 0.282 339 T C -1.190 173.683 174.700 0.289 0.000 0.989 339 T CA -0.533 61.676 62.100 0.182 0.000 1.091 339 T CB 0.305 69.267 68.868 0.156 0.000 1.460 339 T HN 0.440 nan 8.240 nan 0.000 0.499 340 A N 1.263 124.298 122.820 0.359 0.000 2.488 340 A HA 0.588 4.908 4.320 -0.000 0.000 0.249 340 A C -0.720 177.185 177.584 0.534 0.000 1.083 340 A CA -0.054 52.288 52.037 0.508 0.000 0.768 340 A CB -0.802 18.523 19.000 0.541 0.000 1.017 340 A HN 0.679 nan 8.150 nan 0.000 0.496 341 F N 1.923 122.019 119.950 0.243 0.000 2.591 341 F HA 0.453 4.980 4.527 -0.000 0.000 0.309 341 F C 0.645 176.369 175.800 -0.127 0.000 1.098 341 F CA -1.307 56.745 58.000 0.087 0.000 0.937 341 F CB 1.300 40.150 39.000 -0.250 0.000 1.250 341 F HN 0.691 nan 8.300 nan 0.000 0.447 342 R N 3.108 123.901 120.500 0.488 0.000 3.853 342 R HA -0.006 4.334 4.340 -0.000 0.000 0.254 342 R C 0.836 176.885 176.300 -0.419 0.000 0.565 342 R CA 1.917 57.969 56.100 -0.079 0.000 1.000 342 R CB -0.703 29.456 30.300 -0.236 0.000 0.943 342 R HN 1.060 nan 8.270 nan 0.000 0.331 343 G N 3.548 112.271 108.800 -0.128 0.000 2.278 343 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.210 343 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.210 343 G C 0.261 175.282 174.900 0.202 0.000 1.000 343 G CA -0.114 44.994 45.100 0.014 0.000 0.635 343 G HN 0.724 nan 8.290 nan 0.000 0.495 344 F N 0.541 120.461 119.950 -0.051 0.000 3.027 344 F HA 0.021 4.548 4.527 -0.000 0.000 0.276 344 F C 1.781 177.555 175.800 -0.043 0.000 0.967 344 F CA 2.641 60.641 58.000 0.001 0.000 0.929 344 F CB -1.009 38.011 39.000 0.034 0.000 0.873 344 F HN 2.018 nan 8.300 nan 0.000 0.787 345 G N -0.736 107.968 108.800 -0.159 0.000 2.241 345 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 345 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 345 G C 1.486 176.233 174.900 -0.255 0.000 0.998 345 G CA 0.687 45.649 45.100 -0.230 0.000 0.621 345 G HN 1.524 nan 8.290 nan 0.000 0.519 346 G N 1.459 110.115 108.800 -0.239 0.000 2.418 346 G HA2 0.094 4.054 3.960 -0.000 0.000 0.217 346 G HA3 0.094 4.054 3.960 -0.000 0.000 0.217 346 G C 0.123 174.921 174.900 -0.169 0.000 1.158 346 G CA 1.902 46.741 45.100 -0.435 0.000 0.771 346 G HN 0.541 nan 8.290 nan 0.000 0.545 347 P HA -0.090 nan 4.420 nan 0.000 0.215 347 P C 1.731 179.095 177.300 0.106 0.000 1.153 347 P CA 1.253 64.416 63.100 0.105 0.000 0.853 347 P CB 0.017 31.752 31.700 0.058 0.000 0.788 348 Q N -0.710 119.031 119.800 -0.098 0.000 2.050 348 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 348 Q C 2.462 178.207 176.000 -0.424 0.000 0.980 348 Q CA 2.010 57.622 55.803 -0.318 0.000 0.840 348 Q CB -1.646 26.515 28.738 -0.962 0.000 0.898 348 Q HN 0.236 nan 8.270 nan 0.000 0.424 349 G N 0.334 108.879 108.800 -0.425 0.000 2.421 349 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 349 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 349 G C 1.501 176.326 174.900 -0.126 0.000 1.171 349 G CA 0.927 45.861 45.100 -0.278 0.000 0.775 349 G HN 0.444 nan 8.290 nan 0.000 0.543 350 A N 0.444 123.248 122.820 -0.026 0.000 1.877 350 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 350 A C 2.364 179.991 177.584 0.071 0.000 1.186 350 A CA 1.707 53.776 52.037 0.054 0.000 0.620 350 A CB -0.541 18.521 19.000 0.103 0.000 0.822 350 A HN 0.428 nan 8.150 nan 0.000 0.443 351 L N 0.318 121.589 121.223 0.079 0.000 2.079 351 L HA -0.062 4.277 4.340 -0.000 0.000 0.210 351 L C 2.395 179.378 176.870 0.189 0.000 1.081 351 L CA 2.163 57.080 54.840 0.128 0.000 0.752 351 L CB -1.146 40.972 42.059 0.099 0.000 0.896 351 L HN 0.338 nan 8.230 nan 0.000 0.433 352 G N -0.575 108.300 108.800 0.126 0.000 2.529 352 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.219 352 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.219 352 G C 1.563 176.538 174.900 0.125 0.000 1.177 352 G CA 1.287 46.495 45.100 0.181 0.000 0.773 352 G HN 0.427 nan 8.290 nan 0.000 0.573 353 M N 0.610 120.203 119.600 -0.012 0.000 2.117 353 M HA 0.050 4.530 4.480 -0.000 0.000 0.262 353 M C 2.215 178.630 176.300 0.192 0.000 1.065 353 M CA 1.390 56.814 55.300 0.206 0.000 1.114 353 M CB -0.444 32.274 32.600 0.198 0.000 1.361 353 M HN 0.140 nan 8.290 nan 0.000 0.408 354 E N -0.255 120.048 120.200 0.172 0.000 2.153 354 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 354 E C 2.215 178.824 176.600 0.014 0.000 0.988 354 E CA 0.683 57.174 56.400 0.152 0.000 0.811 354 E CB -0.406 29.400 29.700 0.176 0.000 0.746 354 E HN 0.413 nan 8.360 nan 0.000 0.466 355 R N 0.695 121.143 120.500 -0.086 0.000 2.057 355 R HA 0.050 4.390 4.340 -0.000 0.000 0.229 355 R C 2.194 178.275 176.300 -0.366 0.000 1.136 355 R CA 1.241 57.168 56.100 -0.288 0.000 0.952 355 R CB -0.789 29.110 30.300 -0.668 0.000 0.848 355 R HN 0.141 nan 8.270 nan 0.000 0.430 356 A N 1.177 123.645 122.820 -0.586 0.000 1.884 356 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 356 A C 2.377 179.810 177.584 -0.252 0.000 1.197 356 A CA 1.908 53.543 52.037 -0.670 0.000 0.637 356 A CB -0.797 17.934 19.000 -0.447 0.000 0.827 356 A HN 0.388 nan 8.150 nan 0.000 0.450 357 I N -0.932 119.536 120.570 -0.169 0.000 2.252 357 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 357 I C 2.447 178.488 176.117 -0.128 0.000 1.102 357 I CA 2.064 63.257 61.300 -0.179 0.000 1.385 357 I CB -0.112 37.716 38.000 -0.287 0.000 1.064 357 I HN 0.532 nan 8.210 nan 0.000 0.414 358 E N -0.131 120.027 120.200 -0.070 0.000 2.118 358 E HA -0.354 3.996 4.350 -0.000 0.000 0.195 358 E C 2.145 178.772 176.600 0.045 0.000 0.992 358 E CA 1.703 58.103 56.400 0.001 0.000 0.804 358 E CB -0.199 29.497 29.700 -0.007 0.000 0.741 358 E HN 0.590 nan 8.360 nan 0.000 0.458 359 H N -0.425 118.544 119.070 -0.168 0.000 2.395 359 H HA -0.025 4.531 4.556 -0.000 0.000 0.299 359 H C 1.841 176.983 175.328 -0.309 0.000 1.070 359 H CA 1.537 57.348 56.048 -0.394 0.000 1.356 359 H CB -0.339 29.139 29.762 -0.473 0.000 1.401 359 H HN 0.303 nan 8.280 nan 0.000 0.524 360 L N 0.194 121.248 121.223 -0.282 0.000 2.056 360 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 360 L C 2.463 179.187 176.870 -0.244 0.000 1.078 360 L CA 1.787 56.445 54.840 -0.303 0.000 0.749 360 L CB -1.007 40.916 42.059 -0.227 0.000 0.901 360 L HN 0.315 nan 8.230 nan 0.000 0.433 361 A N -0.469 122.253 122.820 -0.164 0.000 1.902 361 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 361 A C 2.321 179.848 177.584 -0.095 0.000 1.181 361 A CA 1.438 53.401 52.037 -0.123 0.000 0.623 361 A CB -0.484 18.476 19.000 -0.066 0.000 0.818 361 A HN 0.409 nan 8.150 nan 0.000 0.443 362 R N -0.677 119.799 120.500 -0.040 0.000 2.066 362 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 362 R C 2.428 178.686 176.300 -0.069 0.000 1.131 362 R CA 1.329 57.442 56.100 0.021 0.000 0.955 362 R CB -1.624 28.792 30.300 0.192 0.000 0.851 362 R HN 0.516 nan 8.270 nan 0.000 0.432 363 G N 2.062 110.751 108.800 -0.184 0.000 2.507 363 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.221 363 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.221 363 G C 1.338 176.117 174.900 -0.201 0.000 1.119 363 G CA 1.275 46.239 45.100 -0.228 0.000 0.751 363 G HN 0.476 nan 8.290 nan 0.000 0.574 364 M N -1.534 117.912 119.600 -0.257 0.000 2.778 364 M HA 0.569 5.049 4.480 -0.000 0.000 0.359 364 M C 1.048 177.231 176.300 -0.195 0.000 1.216 364 M CA 0.184 55.286 55.300 -0.329 0.000 0.935 364 M CB 0.597 32.754 32.600 -0.737 0.000 1.330 364 M HN 0.234 nan 8.290 nan 0.000 0.516 365 G N 2.109 110.840 108.800 -0.114 0.000 2.258 365 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.274 365 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.274 365 G C -0.144 174.718 174.900 -0.063 0.000 1.021 365 G CA 0.821 45.881 45.100 -0.067 0.000 0.798 365 G HN 0.649 nan 8.290 nan 0.000 0.507 366 R N -0.064 120.389 120.500 -0.079 0.000 2.637 366 R HA 0.519 4.859 4.340 -0.000 0.000 0.291 366 R C -0.286 175.989 176.300 -0.040 0.000 0.963 366 R CA -0.728 55.332 56.100 -0.067 0.000 0.901 366 R CB 0.856 31.096 30.300 -0.100 0.000 1.160 366 R HN 0.173 nan 8.270 nan 0.000 0.457 367 D N 4.838 125.224 120.400 -0.024 0.000 2.382 367 D HA 0.079 4.719 4.640 -0.000 0.000 0.259 367 D C -1.637 174.670 176.300 0.012 0.000 1.224 367 D CA -1.470 52.531 54.000 0.003 0.000 0.894 367 D CB 1.307 42.111 40.800 0.006 0.000 1.127 367 D HN 0.309 nan 8.370 nan 0.000 0.487 368 P HA -0.168 nan 4.420 nan 0.000 0.216 368 P C 1.034 178.353 177.300 0.032 0.000 1.150 368 P CA 1.536 64.650 63.100 0.023 0.000 0.837 368 P CB 0.061 31.803 31.700 0.070 0.000 0.786 369 A N 0.302 123.185 122.820 0.104 0.000 1.883 369 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 369 A C 2.401 180.015 177.584 0.050 0.000 1.186 369 A CA 1.889 54.008 52.037 0.138 0.000 0.624 369 A CB -1.297 17.900 19.000 0.328 0.000 0.822 369 A HN 0.170 nan 8.150 nan 0.000 0.444 370 E N -0.140 120.080 120.200 0.034 0.000 2.028 370 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 370 E C 1.986 178.530 176.600 -0.094 0.000 0.988 370 E CA 1.547 57.935 56.400 -0.019 0.000 0.799 370 E CB -0.443 29.254 29.700 -0.004 0.000 0.755 370 E HN 0.361 nan 8.360 nan 0.000 0.447 371 L N 1.695 122.861 121.223 -0.096 0.000 2.089 371 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 371 L C 2.618 179.344 176.870 -0.241 0.000 1.079 371 L CA 1.801 56.551 54.840 -0.151 0.000 0.758 371 L CB -0.428 41.543 42.059 -0.147 0.000 0.891 371 L HN 0.077 nan 8.230 nan 0.000 0.433 372 R N -1.247 119.110 120.500 -0.238 0.000 2.061 372 R HA -0.110 4.230 4.340 -0.000 0.000 0.230 372 R C 2.266 178.075 176.300 -0.819 0.000 1.140 372 R CA 1.356 57.264 56.100 -0.320 0.000 0.940 372 R CB -0.720 29.573 30.300 -0.012 0.000 0.839 372 R HN 0.501 nan 8.270 nan 0.000 0.429 373 A N 1.333 123.729 122.820 -0.708 0.000 1.903 373 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 373 A C 2.090 179.369 177.584 -0.508 0.000 1.191 373 A CA 1.475 53.076 52.037 -0.727 0.000 0.638 373 A CB -0.730 18.166 19.000 -0.172 0.000 0.823 373 A HN 0.272 nan 8.150 nan 0.000 0.451 374 L N -0.182 120.864 121.223 -0.295 0.000 2.189 374 L HA -0.164 4.176 4.340 -0.000 0.000 0.214 374 L C 1.325 178.110 176.870 -0.141 0.000 1.097 374 L CA 2.010 56.750 54.840 -0.167 0.000 0.764 374 L CB -0.325 41.657 42.059 -0.128 0.000 0.900 374 L HN 0.451 nan 8.230 nan 0.000 0.436 375 N N -2.170 116.406 118.700 -0.207 0.000 2.159 375 N HA 0.123 4.862 4.740 -0.000 0.000 0.217 375 N C -0.079 175.543 175.510 0.188 0.000 1.223 375 N CA -0.130 52.903 53.050 -0.028 0.000 0.896 375 N CB 0.398 38.825 38.487 -0.100 0.000 1.064 375 N HN 0.196 nan 8.380 nan 0.000 0.518 376 F N 1.136 121.214 119.950 0.213 0.000 2.589 376 F HA -0.002 4.525 4.527 -0.000 0.000 0.352 376 F C 0.944 176.781 175.800 0.062 0.000 1.168 376 F CA -0.683 57.393 58.000 0.128 0.000 1.353 376 F CB 0.181 39.232 39.000 0.085 0.000 1.116 376 F HN -0.004 nan 8.300 nan 0.000 0.608 377 Y N 1.138 121.616 120.300 0.298 0.000 2.890 377 Y HA -0.147 4.403 4.550 -0.000 0.000 0.341 377 Y C 0.839 176.787 175.900 0.081 0.000 1.269 377 Y CA 0.003 58.198 58.100 0.157 0.000 1.517 377 Y CB -0.063 38.446 38.460 0.083 0.000 1.314 377 Y HN 0.425 nan 8.280 nan 0.000 0.622 378 D N 4.052 124.554 120.400 0.169 0.000 2.414 378 D HA 0.099 4.738 4.640 -0.000 0.000 0.242 378 D C -2.135 174.199 176.300 0.057 0.000 1.129 378 D CA -1.076 52.968 54.000 0.073 0.000 0.885 378 D CB 0.555 41.357 40.800 0.004 0.000 1.198 378 D HN 0.244 nan 8.370 nan 0.000 0.437 379 P HA 0.074 nan 4.420 nan 0.000 0.269 379 P C -2.456 174.844 177.300 0.000 0.000 1.211 379 P CA -0.682 62.415 63.100 -0.004 0.000 0.781 379 P CB -0.265 31.440 31.700 0.009 0.000 0.877 380 P HA 0.129 nan 4.420 nan 0.000 0.267 380 P C -0.506 176.802 177.300 0.013 0.000 1.205 380 P CA 0.787 63.892 63.100 0.009 0.000 0.765 380 P CB 0.084 31.793 31.700 0.014 0.000 0.828 399 K N 0.333 120.734 120.400 0.002 0.000 5.275 399 K HA -0.189 4.131 4.320 -0.000 0.000 0.346 399 K C -1.057 175.534 176.600 -0.014 0.000 0.796 399 K CA 1.051 57.337 56.287 -0.002 0.000 1.003 399 K CB -2.196 30.300 32.500 -0.008 0.000 1.951 399 K HN 0.479 nan 8.250 nan 0.000 0.372 400 T N 3.506 118.060 114.554 -0.000 0.000 2.780 400 T HA 0.144 4.493 4.350 -0.000 0.000 0.294 400 T C 0.510 175.219 174.700 0.014 0.000 0.949 400 T CA -0.564 61.537 62.100 0.002 0.000 1.074 400 T CB 0.842 69.719 68.868 0.016 0.000 0.910 400 T HN 0.328 nan 8.240 nan 0.000 0.501 401 Q N 2.351 122.150 119.800 -0.001 0.000 2.283 401 Q HA 0.208 4.548 4.340 -0.000 0.000 0.301 401 Q C 0.929 177.037 176.000 0.181 0.000 1.063 401 Q CA 0.010 55.849 55.803 0.060 0.000 0.952 401 Q CB 0.227 28.978 28.738 0.021 0.000 1.166 401 Q HN 0.763 nan 8.270 nan 0.000 0.381 402 T N -1.182 113.524 114.554 0.253 0.000 2.934 402 T HA 0.457 4.807 4.350 -0.000 0.000 0.283 402 T C 0.417 175.265 174.700 0.245 0.000 1.005 402 T CA -0.779 61.407 62.100 0.142 0.000 1.041 402 T CB 1.421 70.326 68.868 0.062 0.000 1.042 402 T HN 0.640 nan 8.240 nan 0.000 0.505 403 T N -0.695 113.831 114.554 -0.047 0.000 2.788 403 T HA 0.150 4.500 4.350 -0.000 0.000 0.287 403 T C 1.577 176.177 174.700 -0.168 0.000 1.007 403 T CA -0.173 61.856 62.100 -0.119 0.000 1.005 403 T CB 0.172 68.598 68.868 -0.737 0.000 1.012 403 T HN 0.910 nan 8.240 nan 0.000 0.530 404 H N 0.321 119.391 119.070 -0.001 0.000 2.541 404 H HA -0.138 4.418 4.556 -0.000 0.000 0.289 404 H C 0.998 176.407 175.328 0.134 0.000 1.054 404 H CA 1.503 57.608 56.048 0.095 0.000 1.250 404 H CB -0.839 29.041 29.762 0.198 0.000 1.369 404 H HN 0.958 nan 8.280 nan 0.000 0.578 405 Y N -1.344 118.752 120.300 -0.340 0.000 2.524 405 Y HA 0.498 5.048 4.550 -0.000 0.000 0.266 405 Y C 1.402 177.229 175.900 -0.121 0.000 1.180 405 Y CA -0.598 57.335 58.100 -0.279 0.000 1.244 405 Y CB 0.155 38.376 38.460 -0.400 0.000 1.125 405 Y HN 0.179 nan 8.280 nan 0.000 0.524 406 G N 1.582 110.275 108.800 -0.180 0.000 2.289 406 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.280 406 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.280 406 G C -0.391 174.428 174.900 -0.136 0.000 1.089 406 G CA 0.316 45.358 45.100 -0.098 0.000 0.939 406 G HN 0.657 nan 8.290 nan 0.000 0.499 407 Q N 0.079 119.692 119.800 -0.312 0.000 2.333 407 Q HA 0.533 4.873 4.340 -0.000 0.000 0.268 407 Q C 0.157 176.101 176.000 -0.094 0.000 1.007 407 Q CA -0.756 54.940 55.803 -0.179 0.000 0.810 407 Q CB 0.929 29.562 28.738 -0.175 0.000 1.264 407 Q HN 0.477 nan 8.270 nan 0.000 0.452 408 E N 2.531 122.727 120.200 -0.008 0.000 2.415 408 E HA 0.044 4.394 4.350 -0.000 0.000 0.260 408 E C -0.665 175.960 176.600 0.041 0.000 1.016 408 E CA -0.060 56.352 56.400 0.020 0.000 0.924 408 E CB 0.896 30.616 29.700 0.034 0.000 0.961 408 E HN 0.408 nan 8.360 nan 0.000 0.459 409 V N 3.653 123.546 119.914 -0.036 0.000 2.313 409 V HA 0.102 4.222 4.120 -0.000 0.000 0.252 409 V C 0.885 176.993 176.094 0.024 0.000 1.112 409 V CA 0.233 62.489 62.300 -0.073 0.000 0.984 409 V CB 0.383 31.887 31.823 -0.532 0.000 1.157 409 V HN 0.782 nan 8.190 nan 0.000 0.493 410 A N 3.358 126.234 122.820 0.093 0.000 2.308 410 A HA 0.137 4.456 4.320 -0.000 0.000 0.217 410 A C 1.237 178.867 177.584 0.077 0.000 1.216 410 A CA 0.543 52.623 52.037 0.072 0.000 0.864 410 A CB -0.025 19.018 19.000 0.072 0.000 0.902 410 A HN 0.790 nan 8.150 nan 0.000 0.499 411 D N -2.130 118.342 120.400 0.120 0.000 2.540 411 D HA 0.077 4.717 4.640 -0.000 0.000 0.229 411 D C 0.061 176.298 176.300 -0.105 0.000 1.250 411 D CA -0.367 53.700 54.000 0.111 0.000 0.817 411 D CB -1.428 39.531 40.800 0.264 0.000 1.060 411 D HN 0.085 nan 8.370 nan 0.000 0.508 412 C N 1.982 121.147 119.300 -0.225 0.000 2.619 412 C HA 0.364 4.824 4.460 -0.000 0.000 0.389 412 C C 1.525 176.152 174.990 -0.605 0.000 1.314 412 C CA -0.244 58.357 59.018 -0.695 0.000 1.678 412 C CB -0.883 26.688 27.740 -0.281 0.000 2.398 412 C HN 0.330 nan 8.230 nan 0.000 0.582 413 V N 5.558 124.934 119.914 -0.896 0.000 3.214 413 V HA 0.217 4.337 4.120 -0.000 0.000 0.330 413 V C 1.400 177.095 176.094 -0.666 0.000 1.403 413 V CA 0.402 62.363 62.300 -0.566 0.000 1.143 413 V CB -0.902 30.663 31.823 -0.430 0.000 1.098 413 V HN 0.875 nan 8.190 nan 0.000 0.463 414 L N 1.640 122.444 121.223 -0.699 0.000 1.971 414 L HA -0.027 4.313 4.340 -0.000 0.000 0.215 414 L C 2.838 179.433 176.870 -0.459 0.000 1.072 414 L CA 2.445 56.858 54.840 -0.711 0.000 0.758 414 L CB -0.989 40.439 42.059 -1.051 0.000 0.889 414 L HN 0.514 nan 8.230 nan 0.000 0.433 415 G N -0.799 107.901 108.800 -0.165 0.000 2.599 415 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.219 415 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.219 415 G C 1.430 176.332 174.900 0.004 0.000 1.193 415 G CA 1.252 46.407 45.100 0.092 0.000 0.778 415 G HN 0.463 nan 8.290 nan 0.000 0.589 416 E N -0.265 119.904 120.200 -0.052 0.000 2.051 416 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 416 E C 2.509 179.090 176.600 -0.032 0.000 0.991 416 E CA 0.914 57.335 56.400 0.036 0.000 0.799 416 E CB -0.242 29.567 29.700 0.181 0.000 0.748 416 E HN 0.411 nan 8.360 nan 0.000 0.449 417 L N 0.203 121.168 121.223 -0.430 0.000 2.012 417 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 417 L C 2.299 179.054 176.870 -0.191 0.000 1.073 417 L CA 1.154 55.651 54.840 -0.573 0.000 0.748 417 L CB -0.106 41.353 42.059 -1.000 0.000 0.891 417 L HN 0.072 nan 8.230 nan 0.000 0.431 418 V N -0.742 119.080 119.914 -0.153 0.000 2.427 418 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 418 V C 2.455 178.563 176.094 0.024 0.000 1.051 418 V CA 2.153 64.431 62.300 -0.037 0.000 1.048 418 V CB -0.721 31.155 31.823 0.088 0.000 0.666 418 V HN 0.542 nan 8.190 nan 0.000 0.456 419 T N -0.301 114.286 114.554 0.056 0.000 2.777 419 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 419 T C 2.032 176.782 174.700 0.085 0.000 1.040 419 T CA 1.602 63.752 62.100 0.083 0.000 1.141 419 T CB -0.242 68.682 68.868 0.092 0.000 0.868 419 T HN 0.381 nan 8.240 nan 0.000 0.444 420 R N 0.479 121.040 120.500 0.102 0.000 2.091 420 R HA -0.077 4.263 4.340 -0.000 0.000 0.238 420 R C 2.355 178.711 176.300 0.093 0.000 1.136 420 R CA 1.156 57.333 56.100 0.129 0.000 0.959 420 R CB -0.460 29.980 30.300 0.233 0.000 0.856 420 R HN 0.289 nan 8.270 nan 0.000 0.437 421 L N 1.053 122.311 121.223 0.059 0.000 2.027 421 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 421 L C 2.074 178.952 176.870 0.013 0.000 1.074 421 L CA 1.788 56.643 54.840 0.025 0.000 0.745 421 L CB -0.472 41.574 42.059 -0.023 0.000 0.898 421 L HN 0.228 nan 8.230 nan 0.000 0.433 422 Q N -0.651 119.154 119.800 0.007 0.000 2.084 422 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 422 Q C 2.070 178.157 176.000 0.144 0.000 0.978 422 Q CA 1.685 57.526 55.803 0.064 0.000 0.844 422 Q CB -0.096 28.716 28.738 0.124 0.000 0.898 422 Q HN 0.422 nan 8.270 nan 0.000 0.426 423 K N 0.252 120.718 120.400 0.110 0.000 2.057 423 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 423 K C 2.254 178.904 176.600 0.083 0.000 1.050 423 K CA 1.598 57.944 56.287 0.099 0.000 0.935 423 K CB -0.418 32.132 32.500 0.083 0.000 0.715 423 K HN 0.236 nan 8.250 nan 0.000 0.439 424 S N 0.894 116.638 115.700 0.073 0.000 2.453 424 S HA 0.036 4.506 4.470 -0.000 0.000 0.231 424 S C 2.059 176.695 174.600 0.060 0.000 1.005 424 S CA 0.777 59.013 58.200 0.060 0.000 0.949 424 S CB -0.087 63.147 63.200 0.056 0.000 0.774 424 S HN 0.260 nan 8.310 nan 0.000 0.510 425 A N 1.665 124.527 122.820 0.072 0.000 2.251 425 A HA 0.289 4.609 4.320 -0.000 0.000 0.209 425 A C 1.005 178.657 177.584 0.112 0.000 1.187 425 A CA 0.315 52.399 52.037 0.078 0.000 0.823 425 A CB -0.929 18.108 19.000 0.061 0.000 0.846 425 A HN 0.723 nan 8.150 nan 0.000 0.486 426 N N -2.320 116.449 118.700 0.116 0.000 2.747 426 N HA -0.245 4.495 4.740 -0.000 0.000 0.249 426 N C 0.540 176.143 175.510 0.155 0.000 1.107 426 N CA 0.586 53.700 53.050 0.107 0.000 0.707 426 N CB -1.179 37.347 38.487 0.065 0.000 1.054 426 N HN 0.390 nan 8.380 nan 0.000 0.555 427 F N 1.176 121.137 119.950 0.019 0.000 2.043 427 F HA -0.209 4.318 4.527 -0.000 0.000 0.297 427 F C 2.471 178.279 175.800 0.014 0.000 1.118 427 F CA 2.408 60.419 58.000 0.018 0.000 1.202 427 F CB -0.958 38.060 39.000 0.029 0.000 0.965 427 F HN 0.178 nan 8.300 nan 0.000 0.482 428 T N -0.781 113.720 114.554 -0.089 0.000 2.770 428 T HA -0.135 4.215 4.350 -0.000 0.000 0.263 428 T C 1.934 176.546 174.700 -0.147 0.000 1.039 428 T CA 1.990 63.962 62.100 -0.213 0.000 1.142 428 T CB -0.466 68.354 68.868 -0.081 0.000 0.868 428 T HN 0.302 nan 8.240 nan 0.000 0.435 429 T N 1.938 116.455 114.554 -0.062 0.000 2.684 429 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 429 T C 2.167 176.835 174.700 -0.054 0.000 1.036 429 T CA 0.982 63.057 62.100 -0.042 0.000 1.148 429 T CB -0.133 68.730 68.868 -0.010 0.000 0.863 429 T HN 0.312 nan 8.240 nan 0.000 0.436 430 R N 0.509 120.979 120.500 -0.049 0.000 2.083 430 R HA -0.062 4.278 4.340 -0.000 0.000 0.237 430 R C 2.669 178.913 176.300 -0.093 0.000 1.137 430 R CA 1.471 57.543 56.100 -0.047 0.000 0.951 430 R CB -0.336 29.967 30.300 0.004 0.000 0.851 430 R HN 0.263 nan 8.270 nan 0.000 0.434 431 R N 0.739 121.123 120.500 -0.194 0.000 2.115 431 R HA -0.216 4.124 4.340 -0.000 0.000 0.239 431 R C 2.238 178.459 176.300 -0.131 0.000 1.133 431 R CA 2.086 58.042 56.100 -0.239 0.000 0.935 431 R CB -0.516 29.499 30.300 -0.475 0.000 0.853 431 R HN 0.278 nan 8.270 nan 0.000 0.433 432 A N 0.440 123.192 122.820 -0.113 0.000 1.873 432 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 432 A C 2.048 179.619 177.584 -0.021 0.000 1.193 432 A CA 2.024 54.025 52.037 -0.059 0.000 0.629 432 A CB -0.801 18.169 19.000 -0.050 0.000 0.826 432 A HN 0.569 nan 8.150 nan 0.000 0.447 433 E N -0.424 119.767 120.200 -0.015 0.000 2.086 433 E HA -0.223 4.127 4.350 -0.000 0.000 0.200 433 E C 1.848 178.485 176.600 0.062 0.000 1.012 433 E CA 1.658 58.071 56.400 0.022 0.000 0.812 433 E CB -0.351 29.351 29.700 0.003 0.000 0.743 433 E HN 0.699 nan 8.360 nan 0.000 0.453 434 I N 0.538 121.119 120.570 0.019 0.000 2.163 434 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 434 I C 2.442 178.632 176.117 0.122 0.000 1.085 434 I CA 1.103 62.431 61.300 0.048 0.000 1.347 434 I CB -0.365 37.621 38.000 -0.024 0.000 1.044 434 I HN 0.163 nan 8.210 nan 0.000 0.408 435 A N 0.726 123.580 122.820 0.056 0.000 1.873 435 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 435 A C 2.545 180.170 177.584 0.069 0.000 1.193 435 A CA 2.286 54.352 52.037 0.047 0.000 0.629 435 A CB -1.078 17.926 19.000 0.007 0.000 0.826 435 A HN 0.461 nan 8.150 nan 0.000 0.447 436 A N -1.912 120.950 122.820 0.071 0.000 1.908 436 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 436 A C 2.040 179.682 177.584 0.097 0.000 1.181 436 A CA 1.630 53.705 52.037 0.064 0.000 0.627 436 A CB -0.995 18.039 19.000 0.057 0.000 0.818 436 A HN 0.871 nan 8.150 nan 0.000 0.445 437 W N 1.189 122.474 121.300 -0.026 0.000 2.363 437 W HA -0.178 4.482 4.660 -0.000 0.000 0.296 437 W C 1.811 178.314 176.519 -0.026 0.000 1.212 437 W CA 1.823 59.154 57.345 -0.023 0.000 1.260 437 W CB -0.085 29.362 29.460 -0.022 0.000 1.131 437 W HN 0.359 nan 8.180 nan 0.000 0.530 438 N N 0.102 118.958 118.700 0.259 0.000 2.106 438 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 438 N C 1.912 177.383 175.510 -0.065 0.000 1.029 438 N CA 2.275 55.386 53.050 0.102 0.000 0.848 438 N CB -1.143 37.432 38.487 0.146 0.000 1.007 438 N HN 0.185 nan 8.380 nan 0.000 0.423 439 S N -0.657 115.018 115.700 -0.041 0.000 2.440 439 S HA -0.101 4.369 4.470 -0.000 0.000 0.240 439 S C 1.617 176.143 174.600 -0.123 0.000 1.014 439 S CA 1.356 59.515 58.200 -0.067 0.000 0.980 439 S CB -0.744 62.433 63.200 -0.040 0.000 0.775 439 S HN 0.287 nan 8.310 nan 0.000 0.499 440 T N 1.381 115.813 114.554 -0.202 0.000 3.100 440 T HA 0.205 4.555 4.350 -0.000 0.000 0.253 440 T C 0.213 174.703 174.700 -0.350 0.000 1.118 440 T CA 0.084 62.021 62.100 -0.271 0.000 1.058 440 T CB -0.314 68.349 68.868 -0.341 0.000 0.953 440 T HN 0.492 nan 8.240 nan 0.000 0.515 441 N N 0.683 119.157 118.700 -0.376 0.000 2.272 441 N HA 0.415 5.155 4.740 -0.000 0.000 0.305 441 N C 0.923 176.319 175.510 -0.190 0.000 1.103 441 N CA -0.876 51.958 53.050 -0.359 0.000 0.791 441 N CB 1.763 39.895 38.487 -0.590 0.000 1.356 441 N HN 0.109 nan 8.380 nan 0.000 0.486 442 R N -0.356 120.059 120.500 -0.141 0.000 2.369 442 R HA 0.241 4.581 4.340 -0.000 0.000 0.210 442 R C 0.128 176.394 176.300 -0.058 0.000 0.881 442 R CA 0.286 56.336 56.100 -0.084 0.000 1.031 442 R CB 0.104 30.362 30.300 -0.071 0.000 1.184 442 R HN 0.355 nan 8.270 nan 0.000 0.581 443 T N 1.285 115.803 114.554 -0.060 0.000 3.021 443 T HA 0.333 4.683 4.350 -0.000 0.000 0.245 443 T C 0.693 175.394 174.700 0.001 0.000 1.028 443 T CA 0.276 62.359 62.100 -0.027 0.000 1.139 443 T CB 0.173 69.027 68.868 -0.023 0.000 0.884 443 T HN -0.015 nan 8.240 nan 0.000 0.457 444 L N 0.951 122.181 121.223 0.011 0.000 2.352 444 L HA 0.797 5.137 4.340 -0.000 0.000 0.269 444 L C -0.434 176.545 176.870 0.181 0.000 1.034 444 L CA -1.120 53.796 54.840 0.126 0.000 0.806 444 L CB 1.371 43.596 42.059 0.278 0.000 1.244 444 L HN 0.090 nan 8.230 nan 0.000 0.447 445 A N 1.830 124.798 122.820 0.246 0.000 2.488 445 A HA 0.690 5.010 4.320 -0.000 0.000 0.298 445 A C -1.037 176.657 177.584 0.184 0.000 1.044 445 A CA -0.750 51.442 52.037 0.259 0.000 0.693 445 A CB 1.633 20.689 19.000 0.093 0.000 1.272 445 A HN 0.701 nan 8.150 nan 0.000 0.402 446 R N 0.498 121.091 120.500 0.154 0.000 2.598 446 R HA 0.716 5.056 4.340 -0.000 0.000 0.279 446 R C 0.095 176.375 176.300 -0.033 0.000 0.984 446 R CA -0.354 55.712 56.100 -0.057 0.000 0.999 446 R CB 2.145 32.285 30.300 -0.268 0.000 1.114 446 R HN 0.903 nan 8.270 nan 0.000 0.493 447 G N 0.867 109.631 108.800 -0.060 0.000 2.619 447 G HA2 0.682 4.642 3.960 -0.000 0.000 0.296 447 G HA3 0.682 4.642 3.960 -0.000 0.000 0.296 447 G C -1.523 173.365 174.900 -0.020 0.000 1.334 447 G CA -0.518 44.554 45.100 -0.046 0.000 0.934 447 G HN 0.487 nan 8.290 nan 0.000 0.476 448 I N 0.261 120.845 120.570 0.023 0.000 2.644 448 I HA 0.708 4.878 4.170 -0.000 0.000 0.291 448 I C -0.740 175.480 176.117 0.172 0.000 1.180 448 I CA -0.755 60.604 61.300 0.098 0.000 1.040 448 I CB 2.021 40.097 38.000 0.127 0.000 1.255 448 I HN 0.865 nan 8.210 nan 0.000 0.422 449 A N 6.760 129.685 122.820 0.175 0.000 2.549 449 A HA 0.732 5.052 4.320 -0.000 0.000 0.297 449 A C -2.131 175.500 177.584 0.079 0.000 1.061 449 A CA -0.525 51.615 52.037 0.172 0.000 0.690 449 A CB 1.870 20.947 19.000 0.128 0.000 1.287 449 A HN 0.729 nan 8.150 nan 0.000 0.402 450 L N 2.159 123.395 121.223 0.022 0.000 2.305 450 L HA 0.793 5.133 4.340 -0.000 0.000 0.284 450 L C -0.046 176.855 176.870 0.053 0.000 1.013 450 L CA 0.062 54.853 54.840 -0.081 0.000 0.819 450 L CB 1.728 43.599 42.059 -0.314 0.000 1.227 450 L HN 0.853 nan 8.230 nan 0.000 0.417 451 S N 4.864 120.609 115.700 0.075 0.000 2.536 451 S HA 0.827 5.297 4.470 -0.000 0.000 0.298 451 S C -2.965 171.704 174.600 0.114 0.000 1.083 451 S CA -1.407 56.872 58.200 0.132 0.000 0.995 451 S CB 1.845 65.132 63.200 0.144 0.000 1.058 451 S HN 0.536 nan 8.310 nan 0.000 0.488 452 P HA 0.562 nan 4.420 nan 0.000 0.296 452 P C -1.257 176.064 177.300 0.035 0.000 1.310 452 P CA -0.839 62.289 63.100 0.047 0.000 0.900 452 P CB 1.615 33.336 31.700 0.035 0.000 1.111 453 V N 2.962 122.889 119.914 0.023 0.000 2.459 453 V HA 0.455 4.575 4.120 -0.000 0.000 0.295 453 V C 0.273 176.346 176.094 -0.034 0.000 1.029 453 V CA -0.405 61.927 62.300 0.053 0.000 0.874 453 V CB 1.519 33.425 31.823 0.139 0.000 0.985 453 V HN 0.536 nan 8.190 nan 0.000 0.438 454 K N 4.555 124.915 120.400 -0.066 0.000 2.535 454 K HA 0.539 4.859 4.320 -0.000 0.000 0.253 454 K C -1.997 174.560 176.600 -0.073 0.000 0.953 454 K CA -0.447 55.671 56.287 -0.281 0.000 0.863 454 K CB 1.266 33.583 32.500 -0.304 0.000 1.111 454 K HN 0.580 nan 8.250 nan 0.000 0.431 455 F N 2.469 122.295 119.950 -0.207 0.000 2.518 455 F HA 0.492 5.018 4.527 -0.000 0.000 0.323 455 F C 0.228 175.926 175.800 -0.170 0.000 1.129 455 F CA -0.469 57.508 58.000 -0.039 0.000 0.920 455 F CB 1.718 40.671 39.000 -0.078 0.000 1.160 455 F HN 0.625 nan 8.300 nan 0.000 0.440 456 G N 6.080 114.573 108.800 -0.511 0.000 2.415 456 G HA2 0.471 4.431 3.960 -0.000 0.000 0.269 456 G HA3 0.471 4.431 3.960 -0.000 0.000 0.269 456 G C -0.956 173.322 174.900 -1.036 0.000 1.209 456 G CA -0.492 43.756 45.100 -1.421 0.000 0.835 456 G HN 0.496 nan 8.290 nan 0.000 0.534 457 I N 1.166 121.266 120.570 -0.784 0.000 2.382 457 I HA 0.547 4.717 4.170 -0.000 0.000 0.285 457 I C 0.041 176.126 176.117 -0.054 0.000 1.007 457 I CA -0.362 60.699 61.300 -0.398 0.000 1.142 457 I CB 0.339 37.865 38.000 -0.791 0.000 1.289 457 I HN 0.451 nan 8.210 nan 0.000 0.453 458 S N 4.492 120.222 115.700 0.050 0.000 2.866 458 S HA 0.175 4.645 4.470 -0.000 0.000 0.267 458 S C -0.796 173.779 174.600 -0.042 0.000 0.760 458 S CA -0.903 57.309 58.200 0.020 0.000 0.946 458 S CB 0.208 63.436 63.200 0.047 0.000 1.191 458 S HN 0.330 nan 8.310 nan 0.000 0.521 459 F N 2.651 122.577 119.950 -0.039 0.000 2.590 459 F HA 0.079 4.606 4.527 -0.000 0.000 0.389 459 F C 2.329 178.071 175.800 -0.096 0.000 1.049 459 F CA 0.978 58.930 58.000 -0.081 0.000 1.199 459 F CB 0.603 39.537 39.000 -0.111 0.000 1.058 459 F HN 0.803 nan 8.300 nan 0.000 0.556 460 T N 1.201 115.799 114.554 0.075 0.000 2.977 460 T HA -0.114 4.236 4.350 -0.000 0.000 0.271 460 T C 0.846 175.701 174.700 0.259 0.000 1.105 460 T CA 0.335 62.442 62.100 0.010 0.000 1.116 460 T CB -0.034 68.823 68.868 -0.018 0.000 0.878 460 T HN 0.251 nan 8.240 nan 0.000 0.509 461 L N 3.410 124.743 121.223 0.183 0.000 2.334 461 L HA 0.336 4.676 4.340 -0.000 0.000 0.286 461 L C 1.208 178.014 176.870 -0.108 0.000 1.108 461 L CA 0.289 55.149 54.840 0.033 0.000 0.875 461 L CB -0.612 41.400 42.059 -0.079 0.000 1.246 461 L HN 0.274 nan 8.230 nan 0.000 0.439 462 T N 3.079 117.634 114.554 0.002 0.000 2.594 462 T HA -0.279 4.071 4.350 -0.000 0.000 0.266 462 T C 1.603 176.276 174.700 -0.044 0.000 1.070 462 T CA 2.370 64.484 62.100 0.023 0.000 1.166 462 T CB -0.435 68.495 68.868 0.103 0.000 0.862 462 T HN 0.747 nan 8.240 nan 0.000 0.436 463 H N 1.244 120.338 119.070 0.040 0.000 2.568 463 H HA 0.100 4.656 4.556 -0.000 0.000 0.281 463 H C 1.881 177.185 175.328 -0.040 0.000 1.028 463 H CA 0.518 56.573 56.048 0.013 0.000 1.199 463 H CB -0.670 29.102 29.762 0.016 0.000 1.352 463 H HN 0.359 nan 8.280 nan 0.000 0.605 464 L N 0.756 121.789 121.223 -0.317 0.000 2.395 464 L HA -0.026 4.314 4.340 -0.000 0.000 0.218 464 L C 0.608 177.311 176.870 -0.278 0.000 1.130 464 L CA 0.156 54.717 54.840 -0.465 0.000 0.826 464 L CB -0.247 41.198 42.059 -1.023 0.000 0.941 464 L HN 0.199 nan 8.230 nan 0.000 0.451 465 N N 3.033 121.734 118.700 0.001 0.000 2.971 465 N HA 0.038 4.778 4.740 -0.000 0.000 0.294 465 N C -0.414 175.113 175.510 0.028 0.000 1.210 465 N CA 0.280 53.408 53.050 0.129 0.000 1.157 465 N CB 0.194 38.762 38.487 0.134 0.000 1.450 465 N HN 0.523 nan 8.380 nan 0.000 0.527 466 Q N -0.686 119.120 119.800 0.009 0.000 2.391 466 Q HA 0.811 5.151 4.340 -0.000 0.000 0.279 466 Q C -1.899 174.063 176.000 -0.063 0.000 1.028 466 Q CA -1.240 54.511 55.803 -0.087 0.000 0.836 466 Q CB 2.006 30.780 28.738 0.060 0.000 1.414 466 Q HN 0.141 nan 8.270 nan 0.000 0.397 467 A N 0.629 123.314 122.820 -0.225 0.000 2.587 467 A HA 0.985 5.304 4.320 -0.000 0.000 0.293 467 A C -0.934 176.623 177.584 -0.045 0.000 1.087 467 A CA -0.194 51.809 52.037 -0.056 0.000 0.692 467 A CB 2.005 21.007 19.000 0.003 0.000 1.291 467 A HN 0.994 nan 8.150 nan 0.000 0.407 468 G N -1.070 107.806 108.800 0.128 0.000 2.642 468 G HA2 0.913 4.873 3.960 -0.000 0.000 0.293 468 G HA3 0.913 4.873 3.960 -0.000 0.000 0.293 468 G C -0.697 174.301 174.900 0.164 0.000 1.341 468 G CA 0.051 45.277 45.100 0.210 0.000 0.916 468 G HN 1.998 nan 8.290 nan 0.000 0.474 469 A N -0.665 122.246 122.820 0.152 0.000 2.593 469 A HA 0.864 5.184 4.320 -0.000 0.000 0.290 469 A C -1.956 175.687 177.584 0.098 0.000 1.126 469 A CA -0.638 51.479 52.037 0.134 0.000 0.695 469 A CB 2.051 21.122 19.000 0.118 0.000 1.290 469 A HN 1.845 nan 8.150 nan 0.000 0.414 470 L N 0.598 121.865 121.223 0.073 0.000 2.470 470 L HA 0.759 5.099 4.340 -0.000 0.000 0.268 470 L C -1.716 175.164 176.870 0.017 0.000 0.964 470 L CA -0.281 54.583 54.840 0.040 0.000 0.839 470 L CB 2.088 44.166 42.059 0.033 0.000 1.276 470 L HN 0.569 nan 8.230 nan 0.000 0.403 471 V N 4.180 124.090 119.914 -0.007 0.000 2.656 471 V HA 0.658 4.778 4.120 -0.000 0.000 0.307 471 V C -0.889 175.152 176.094 -0.088 0.000 1.051 471 V CA -0.582 61.696 62.300 -0.036 0.000 0.893 471 V CB 1.854 33.663 31.823 -0.025 0.000 0.999 471 V HN 0.731 nan 8.190 nan 0.000 0.426 472 Q N 4.292 123.996 119.800 -0.160 0.000 2.330 472 Q HA 0.632 4.972 4.340 -0.000 0.000 0.269 472 Q C -1.188 174.549 176.000 -0.438 0.000 1.022 472 Q CA -0.418 55.190 55.803 -0.325 0.000 0.796 472 Q CB 3.070 31.529 28.738 -0.465 0.000 1.271 472 Q HN 0.689 nan 8.270 nan 0.000 0.450 473 I N 2.775 123.116 120.570 -0.382 0.000 2.362 473 I HA 0.298 4.468 4.170 -0.000 0.000 0.289 473 I C -0.354 175.521 176.117 -0.404 0.000 0.994 473 I CA -0.733 60.383 61.300 -0.307 0.000 1.158 473 I CB 0.629 38.591 38.000 -0.064 0.000 1.315 473 I HN 0.472 nan 8.210 nan 0.000 0.451 474 Y N 2.682 122.971 120.300 -0.018 0.000 2.281 474 Y HA 0.061 4.611 4.550 -0.000 0.000 0.337 474 Y C 2.051 177.898 175.900 -0.088 0.000 1.304 474 Y CA -0.230 57.829 58.100 -0.068 0.000 1.465 474 Y CB 0.621 39.046 38.460 -0.058 0.000 1.350 474 Y HN 0.628 nan 8.280 nan 0.000 0.575 475 T N -3.368 111.195 114.554 0.016 0.000 3.160 475 T HA -0.112 4.238 4.350 -0.000 0.000 0.257 475 T C 0.816 175.509 174.700 -0.012 0.000 1.147 475 T CA 0.865 62.914 62.100 -0.085 0.000 1.064 475 T CB -0.382 68.319 68.868 -0.278 0.000 0.949 475 T HN 0.747 nan 8.240 nan 0.000 0.526 476 D N 0.693 121.120 120.400 0.044 0.000 2.349 476 D HA 0.170 4.810 4.640 -0.000 0.000 0.215 476 D C 1.699 178.059 176.300 0.099 0.000 1.016 476 D CA 0.678 54.713 54.000 0.057 0.000 0.870 476 D CB -0.706 40.123 40.800 0.049 0.000 0.917 476 D HN 0.581 nan 8.370 nan 0.000 0.524 477 G N 0.394 109.266 108.800 0.120 0.000 2.175 477 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 477 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 477 G C 0.376 175.427 174.900 0.251 0.000 0.982 477 G CA 0.392 45.623 45.100 0.218 0.000 0.641 477 G HN 0.763 nan 8.290 nan 0.000 0.527 478 S N -0.996 114.815 115.700 0.185 0.000 2.614 478 S HA 0.742 5.212 4.470 -0.000 0.000 0.265 478 S C 0.022 174.709 174.600 0.145 0.000 1.303 478 S CA -0.120 58.177 58.200 0.161 0.000 1.000 478 S CB 2.659 65.951 63.200 0.153 0.000 0.935 478 S HN 1.105 nan 8.310 nan 0.000 0.551 479 V N 0.732 120.701 119.914 0.092 0.000 2.638 479 V HA 0.738 4.858 4.120 -0.000 0.000 0.306 479 V C -0.144 175.967 176.094 0.028 0.000 1.052 479 V CA -0.713 61.595 62.300 0.012 0.000 0.885 479 V CB 1.589 33.408 31.823 -0.006 0.000 0.999 479 V HN 1.211 nan 8.190 nan 0.000 0.424 480 A N 4.825 127.632 122.820 -0.021 0.000 2.273 480 A HA 0.829 5.149 4.320 -0.000 0.000 0.315 480 A C -1.022 176.554 177.584 -0.014 0.000 1.256 480 A CA -0.388 51.667 52.037 0.031 0.000 0.851 480 A CB 0.872 19.938 19.000 0.111 0.000 1.172 480 A HN 0.849 nan 8.150 nan 0.000 0.508 481 L N 2.854 124.075 121.223 -0.004 0.000 2.325 481 L HA 0.683 5.023 4.340 -0.000 0.000 0.278 481 L C -0.554 176.315 176.870 -0.001 0.000 1.023 481 L CA -0.179 54.667 54.840 0.010 0.000 0.811 481 L CB 1.410 43.487 42.059 0.031 0.000 1.249 481 L HN 0.714 nan 8.230 nan 0.000 0.431 482 N N 2.179 120.898 118.700 0.030 0.000 2.455 482 N HA 0.386 5.126 4.740 -0.000 0.000 0.285 482 N C -1.800 173.756 175.510 0.076 0.000 1.080 482 N CA -0.357 52.683 53.050 -0.016 0.000 0.932 482 N CB 1.344 39.817 38.487 -0.023 0.000 1.610 482 N HN 0.970 nan 8.380 nan 0.000 0.493 483 H N -0.848 118.250 119.070 0.046 0.000 2.985 483 H HA 0.496 5.052 4.556 -0.000 0.000 0.360 483 H C 0.896 176.273 175.328 0.081 0.000 1.221 483 H CA -0.692 55.395 56.048 0.065 0.000 1.121 483 H CB 0.702 30.503 29.762 0.066 0.000 1.854 483 H HN 0.383 nan 8.280 nan 0.000 0.551 484 G N 0.199 109.133 108.800 0.224 0.000 2.559 484 G HA2 0.114 4.074 3.960 -0.000 0.000 0.216 484 G HA3 0.114 4.074 3.960 -0.000 0.000 0.216 484 G C 0.694 175.695 174.900 0.170 0.000 1.126 484 G CA 0.233 45.423 45.100 0.150 0.000 0.778 484 G HN 0.889 nan 8.290 nan 0.000 0.543 485 G N -0.229 108.803 108.800 0.387 0.000 2.539 485 G HA2 0.458 4.418 3.960 -0.000 0.000 0.258 485 G HA3 0.458 4.418 3.960 -0.000 0.000 0.258 485 G C -0.023 174.952 174.900 0.125 0.000 1.202 485 G CA 0.272 45.533 45.100 0.268 0.000 0.851 485 G HN 0.343 nan 8.290 nan 0.000 0.556 486 T N -1.397 113.172 114.554 0.025 0.000 2.855 486 T HA 0.533 4.883 4.350 -0.000 0.000 0.281 486 T C -0.440 174.179 174.700 -0.135 0.000 1.007 486 T CA -0.808 61.273 62.100 -0.033 0.000 1.009 486 T CB 2.265 71.123 68.868 -0.017 0.000 0.983 486 T HN 0.480 nan 8.240 nan 0.000 0.455 487 E N 2.880 122.981 120.200 -0.165 0.000 2.200 487 E HA 0.441 4.791 4.350 -0.000 0.000 0.283 487 E C 0.320 176.904 176.600 -0.026 0.000 1.015 487 E CA -0.676 55.620 56.400 -0.172 0.000 0.819 487 E CB 0.732 30.352 29.700 -0.133 0.000 1.081 487 E HN 0.803 nan 8.360 nan 0.000 0.397 488 M N 2.460 122.039 119.600 -0.036 0.000 2.540 488 M HA 0.496 4.976 4.480 -0.000 0.000 0.404 488 M C 0.782 177.048 176.300 -0.057 0.000 1.133 488 M CA 0.079 55.335 55.300 -0.073 0.000 0.900 488 M CB 0.893 33.382 32.600 -0.186 0.000 1.540 488 M HN 0.593 nan 8.290 nan 0.000 0.539 489 G N 1.583 110.435 108.800 0.085 0.000 2.316 489 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.203 489 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.203 489 G C 0.949 175.961 174.900 0.187 0.000 0.999 489 G CA 0.348 45.531 45.100 0.139 0.000 0.649 489 G HN 0.596 nan 8.290 nan 0.000 0.489 490 Q N 1.443 121.296 119.800 0.088 0.000 2.364 490 Q HA 0.258 4.598 4.340 -0.000 0.000 0.207 490 Q C 1.710 177.755 176.000 0.076 0.000 0.970 490 Q CA 1.997 57.839 55.803 0.066 0.000 0.888 490 Q CB -0.298 28.440 28.738 -0.001 0.000 0.951 490 Q HN 2.007 nan 8.270 nan 0.000 0.469 491 G N 0.975 109.819 108.800 0.073 0.000 2.143 491 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.175 491 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.175 491 G C 0.340 175.160 174.900 -0.133 0.000 1.004 491 G CA 0.203 45.276 45.100 -0.045 0.000 0.671 491 G HN 0.329 nan 8.290 nan 0.000 0.512 492 L N 0.587 121.730 121.223 -0.134 0.000 2.017 492 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 492 L C 2.487 179.302 176.870 -0.092 0.000 1.073 492 L CA 2.905 57.662 54.840 -0.139 0.000 0.745 492 L CB -0.556 41.400 42.059 -0.172 0.000 0.894 492 L HN 0.376 nan 8.230 nan 0.000 0.432 493 H N -0.232 118.822 119.070 -0.027 0.000 2.353 493 H HA 0.006 4.562 4.556 -0.000 0.000 0.300 493 H C 2.192 177.482 175.328 -0.063 0.000 1.090 493 H CA 1.271 57.332 56.048 0.022 0.000 1.327 493 H CB -0.690 29.079 29.762 0.012 0.000 1.383 493 H HN 0.500 nan 8.280 nan 0.000 0.508 494 A N 1.580 124.372 122.820 -0.047 0.000 1.865 494 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 494 A C 2.368 179.931 177.584 -0.036 0.000 1.191 494 A CA 1.968 53.966 52.037 -0.065 0.000 0.623 494 A CB -0.425 18.503 19.000 -0.119 0.000 0.826 494 A HN 0.359 nan 8.150 nan 0.000 0.444 495 K N -1.055 119.318 120.400 -0.046 0.000 2.103 495 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 495 K C 2.009 178.589 176.600 -0.033 0.000 1.048 495 K CA 1.586 57.850 56.287 -0.038 0.000 0.930 495 K CB -0.254 32.219 32.500 -0.046 0.000 0.716 495 K HN 0.430 nan 8.250 nan 0.000 0.444 496 M N 0.169 119.749 119.600 -0.034 0.000 2.288 496 M HA -0.078 4.402 4.480 -0.000 0.000 0.266 496 M C 2.236 178.538 176.300 0.002 0.000 1.072 496 M CA 0.972 56.244 55.300 -0.047 0.000 1.132 496 M CB -0.525 32.008 32.600 -0.111 0.000 1.386 496 M HN -0.060 nan 8.290 nan 0.000 0.432 497 V N 0.732 120.655 119.914 0.015 0.000 2.295 497 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 497 V C 2.422 178.506 176.094 -0.017 0.000 1.049 497 V CA 1.795 64.095 62.300 -0.000 0.000 1.024 497 V CB -0.615 31.204 31.823 -0.006 0.000 0.648 497 V HN 0.497 nan 8.190 nan 0.000 0.447 498 Q N -0.812 118.973 119.800 -0.024 0.000 2.096 498 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 498 Q C 2.265 178.251 176.000 -0.023 0.000 0.982 498 Q CA 2.146 57.925 55.803 -0.039 0.000 0.850 498 Q CB -0.315 28.393 28.738 -0.050 0.000 0.901 498 Q HN 0.560 nan 8.270 nan 0.000 0.422 499 V N 0.846 120.776 119.914 0.026 0.000 2.233 499 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 499 V C 2.274 178.417 176.094 0.082 0.000 1.050 499 V CA 1.955 64.331 62.300 0.127 0.000 1.010 499 V CB -1.206 30.683 31.823 0.109 0.000 0.637 499 V HN 0.466 nan 8.190 nan 0.000 0.444 500 A N 0.062 122.896 122.820 0.023 0.000 1.873 500 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 500 A C 2.439 180.003 177.584 -0.033 0.000 1.193 500 A CA 2.750 54.784 52.037 -0.005 0.000 0.629 500 A CB -1.040 17.952 19.000 -0.014 0.000 0.826 500 A HN 0.639 nan 8.150 nan 0.000 0.447 501 A N -0.382 122.410 122.820 -0.047 0.000 1.877 501 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 501 A C 2.555 180.094 177.584 -0.075 0.000 1.186 501 A CA 2.417 54.405 52.037 -0.081 0.000 0.620 501 A CB -1.152 17.803 19.000 -0.075 0.000 0.822 501 A HN 1.162 nan 8.150 nan 0.000 0.443 502 A N -0.549 122.239 122.820 -0.054 0.000 1.858 502 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 502 A C 2.215 179.808 177.584 0.015 0.000 1.190 502 A CA 1.967 53.972 52.037 -0.052 0.000 0.617 502 A CB -1.095 17.821 19.000 -0.139 0.000 0.827 502 A HN 0.486 nan 8.150 nan 0.000 0.443 503 V N -0.114 119.838 119.914 0.064 0.000 2.490 503 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 503 V C 2.268 178.346 176.094 -0.026 0.000 1.061 503 V CA 1.753 64.090 62.300 0.063 0.000 1.064 503 V CB -0.652 31.206 31.823 0.059 0.000 0.670 503 V HN 0.534 nan 8.190 nan 0.000 0.461 504 L N 0.034 121.209 121.223 -0.079 0.000 2.567 504 L HA 0.319 4.659 4.340 -0.000 0.000 0.225 504 L C 1.740 178.517 176.870 -0.156 0.000 1.119 504 L CA 0.773 55.511 54.840 -0.170 0.000 0.871 504 L CB -0.349 41.574 42.059 -0.227 0.000 1.036 504 L HN 0.532 nan 8.230 nan 0.000 0.459 505 G N 1.782 110.539 108.800 -0.072 0.000 2.160 505 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.251 505 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.251 505 G C 0.244 175.096 174.900 -0.081 0.000 1.008 505 G CA 0.719 45.818 45.100 -0.001 0.000 0.724 505 G HN 0.480 nan 8.290 nan 0.000 0.514 506 I N -3.318 117.131 120.570 -0.203 0.000 3.133 506 I HA 0.826 4.996 4.170 -0.000 0.000 0.311 506 I C -0.165 175.869 176.117 -0.138 0.000 1.072 506 I CA -1.392 59.765 61.300 -0.238 0.000 1.015 506 I CB 1.730 39.445 38.000 -0.475 0.000 1.233 506 I HN -0.043 nan 8.210 nan 0.000 0.473 507 D N 2.998 123.338 120.400 -0.100 0.000 2.345 507 D HA 0.280 4.920 4.640 -0.000 0.000 0.247 507 D C -1.699 174.562 176.300 -0.066 0.000 1.108 507 D CA -2.192 51.770 54.000 -0.064 0.000 0.894 507 D CB 1.343 42.120 40.800 -0.037 0.000 1.203 507 D HN 0.281 nan 8.370 nan 0.000 0.430 508 P HA -0.197 nan 4.420 nan 0.000 0.217 508 P C 1.474 178.754 177.300 -0.033 0.000 1.151 508 P CA 0.792 63.865 63.100 -0.045 0.000 0.849 508 P CB 0.064 31.741 31.700 -0.039 0.000 0.787 509 V N 0.159 120.058 119.914 -0.026 0.000 2.660 509 V HA -0.211 3.909 4.120 -0.000 0.000 0.257 509 V C 2.249 178.337 176.094 -0.010 0.000 1.088 509 V CA 1.579 63.870 62.300 -0.015 0.000 1.106 509 V CB -1.263 30.555 31.823 -0.009 0.000 0.686 509 V HN 0.213 nan 8.190 nan 0.000 0.481 510 Q N -0.415 119.373 119.800 -0.019 0.000 2.365 510 Q HA 0.162 4.502 4.340 -0.000 0.000 0.203 510 Q C -0.038 175.961 176.000 -0.003 0.000 0.929 510 Q CA 0.288 56.087 55.803 -0.006 0.000 0.948 510 Q CB 0.854 29.574 28.738 -0.031 0.000 1.043 510 Q HN 0.535 nan 8.270 nan 0.000 0.505 511 V N 1.355 121.262 119.914 -0.012 0.000 2.398 511 V HA 0.285 4.405 4.120 -0.000 0.000 0.282 511 V C -0.336 175.753 176.094 -0.008 0.000 1.014 511 V CA -0.835 61.459 62.300 -0.011 0.000 0.838 511 V CB 1.672 33.477 31.823 -0.029 0.000 1.018 511 V HN 0.036 nan 8.190 nan 0.000 0.432 512 R N 3.582 124.085 120.500 0.004 0.000 2.297 512 R HA 0.549 4.889 4.340 -0.000 0.000 0.308 512 R C -0.586 175.694 176.300 -0.033 0.000 1.029 512 R CA -0.416 55.678 56.100 -0.010 0.000 0.929 512 R CB 1.130 31.436 30.300 0.010 0.000 1.046 512 R HN 0.638 nan 8.270 nan 0.000 0.461 513 I N 4.476 124.999 120.570 -0.079 0.000 2.396 513 I HA 0.135 4.305 4.170 -0.000 0.000 0.289 513 I C -0.121 175.890 176.117 -0.177 0.000 1.056 513 I CA 0.508 61.706 61.300 -0.170 0.000 1.365 513 I CB 0.958 38.764 38.000 -0.324 0.000 1.407 513 I HN 0.846 nan 8.210 nan 0.000 0.509 514 T N 4.712 119.173 114.554 -0.155 0.000 2.904 514 T HA 0.735 5.085 4.350 -0.000 0.000 0.290 514 T C 0.411 174.994 174.700 -0.194 0.000 1.018 514 T CA -0.618 61.406 62.100 -0.126 0.000 1.075 514 T CB 1.104 69.932 68.868 -0.068 0.000 0.986 514 T HN 0.792 nan 8.240 nan 0.000 0.523 515 A N 2.250 124.996 122.820 -0.125 0.000 2.386 515 A HA 0.486 4.806 4.320 -0.000 0.000 0.246 515 A C 0.919 178.453 177.584 -0.082 0.000 1.089 515 A CA -0.621 51.359 52.037 -0.095 0.000 0.790 515 A CB -0.599 18.384 19.000 -0.029 0.000 1.042 515 A HN 0.952 nan 8.150 nan 0.000 0.497 516 T N 1.580 116.111 114.554 -0.039 0.000 2.916 516 T HA 0.367 4.717 4.350 -0.000 0.000 0.303 516 T C -0.414 174.277 174.700 -0.014 0.000 1.025 516 T CA 0.276 62.355 62.100 -0.036 0.000 1.142 516 T CB 0.320 69.190 68.868 0.003 0.000 0.947 516 T HN 0.587 nan 8.240 nan 0.000 0.544 517 D N 1.257 121.648 120.400 -0.015 0.000 2.764 517 D HA 0.134 4.774 4.640 -0.000 0.000 0.227 517 D C 1.176 177.475 176.300 -0.003 0.000 1.347 517 D CA -0.372 53.623 54.000 -0.009 0.000 0.953 517 D CB 1.668 42.463 40.800 -0.009 0.000 1.476 517 D HN 0.577 nan 8.370 nan 0.000 0.585 518 T N -0.513 114.036 114.554 -0.009 0.000 2.929 518 T HA -0.153 4.197 4.350 -0.000 0.000 0.271 518 T C 1.523 176.227 174.700 0.008 0.000 1.085 518 T CA 1.510 63.609 62.100 -0.002 0.000 1.125 518 T CB -0.073 68.782 68.868 -0.023 0.000 0.874 518 T HN 0.232 nan 8.240 nan 0.000 0.494 519 S N -0.272 115.429 115.700 0.002 0.000 2.593 519 S HA 0.282 4.752 4.470 -0.000 0.000 0.217 519 S C 1.582 176.190 174.600 0.014 0.000 0.966 519 S CA -0.333 57.873 58.200 0.010 0.000 0.914 519 S CB -0.051 63.149 63.200 0.001 0.000 0.776 519 S HN 0.585 nan 8.310 nan 0.000 0.523 520 K N 0.282 120.691 120.400 0.015 0.000 2.309 520 K HA 0.329 4.649 4.320 -0.000 0.000 0.210 520 K C -0.513 176.106 176.600 0.033 0.000 1.114 520 K CA 0.420 56.718 56.287 0.019 0.000 0.912 520 K CB 0.639 33.145 32.500 0.011 0.000 1.198 520 K HN 0.170 nan 8.250 nan 0.000 0.471 521 V N 4.628 124.566 119.914 0.040 0.000 2.350 521 V HA 0.305 4.425 4.120 -0.000 0.000 0.285 521 V C -2.523 173.611 176.094 0.067 0.000 1.014 521 V CA -1.859 60.481 62.300 0.066 0.000 0.831 521 V CB 1.144 33.020 31.823 0.087 0.000 1.000 521 V HN 0.152 nan 8.190 nan 0.000 0.433 522 P HA 0.425 nan 4.420 nan 0.000 0.283 522 P C -0.244 177.105 177.300 0.083 0.000 1.271 522 P CA -0.467 62.671 63.100 0.063 0.000 0.841 522 P CB 0.753 32.485 31.700 0.054 0.000 1.122 523 N N -2.143 116.602 118.700 0.075 0.000 2.725 523 N HA -0.120 4.620 4.740 -0.000 0.000 0.249 523 N C 0.108 175.686 175.510 0.114 0.000 1.103 523 N CA 1.290 54.395 53.050 0.091 0.000 0.707 523 N CB -2.499 36.043 38.487 0.091 0.000 1.043 523 N HN 0.696 nan 8.380 nan 0.000 0.553 524 T N -2.937 111.683 114.554 0.111 0.000 2.868 524 T HA 0.530 4.880 4.350 -0.000 0.000 0.292 524 T C 0.748 175.504 174.700 0.092 0.000 1.028 524 T CA -0.441 61.721 62.100 0.104 0.000 1.059 524 T CB 1.662 70.588 68.868 0.096 0.000 0.991 524 T HN 0.114 nan 8.240 nan 0.000 0.531 525 S N 0.577 116.253 115.700 -0.040 0.000 2.713 525 S HA 0.678 5.148 4.470 -0.000 0.000 0.283 525 S C 0.535 174.834 174.600 -0.503 0.000 1.161 525 S CA -0.791 57.237 58.200 -0.286 0.000 0.999 525 S CB 0.883 63.818 63.200 -0.442 0.000 1.039 525 S HN 1.139 nan 8.310 nan 0.000 0.548 526 A N 1.131 123.372 122.820 -0.967 0.000 2.483 526 A HA 0.365 4.685 4.320 -0.000 0.000 0.238 526 A C 0.397 177.923 177.584 -0.095 0.000 1.070 526 A CA -0.122 51.520 52.037 -0.657 0.000 0.770 526 A CB -0.378 18.344 19.000 -0.463 0.000 1.008 526 A HN 0.652 nan 8.150 nan 0.000 0.497 527 T N 2.180 116.699 114.554 -0.058 0.000 2.848 527 T HA 0.507 4.857 4.350 -0.000 0.000 0.283 527 T C 0.283 174.965 174.700 -0.030 0.000 0.919 527 T CA 1.005 63.101 62.100 -0.007 0.000 1.071 527 T CB -0.630 68.223 68.868 -0.025 0.000 0.912 527 T HN 1.226 nan 8.240 nan 0.000 0.570 528 A N 2.151 124.955 122.820 -0.027 0.000 2.557 528 A HA 0.846 5.166 4.320 -0.000 0.000 0.292 528 A C 0.585 177.904 177.584 -0.441 0.000 1.139 528 A CA -0.283 51.653 52.037 -0.168 0.000 0.665 528 A CB 0.196 19.127 19.000 -0.115 0.000 1.285 528 A HN 1.466 nan 8.150 nan 0.000 0.433 529 A N -0.653 121.852 122.820 -0.524 0.000 2.945 529 A HA 0.065 4.385 4.320 -0.000 0.000 0.263 529 A C 1.174 178.545 177.584 -0.355 0.000 1.293 529 A CA 1.797 53.476 52.037 -0.597 0.000 0.944 529 A CB -2.639 15.596 19.000 -1.275 0.000 1.093 529 A HN 2.608 nan 8.150 nan 0.000 0.786 530 S N -2.961 112.588 115.700 -0.251 0.000 3.521 530 S HA -0.278 4.192 4.470 -0.000 0.000 0.328 530 S C 0.812 175.335 174.600 -0.127 0.000 1.165 530 S CA 1.733 59.834 58.200 -0.166 0.000 0.941 530 S CB -2.660 60.435 63.200 -0.174 0.000 0.951 530 S HN 2.479 nan 8.310 nan 0.000 0.539 531 S N -0.721 114.889 115.700 -0.150 0.000 2.557 531 S HA 0.481 4.951 4.470 -0.000 0.000 0.223 531 S C 1.787 176.374 174.600 -0.022 0.000 0.969 531 S CA 0.218 58.372 58.200 -0.076 0.000 0.927 531 S CB 0.358 63.496 63.200 -0.104 0.000 0.806 531 S HN 0.772 nan 8.310 nan 0.000 0.489 532 G N 2.506 111.281 108.800 -0.041 0.000 2.484 532 G HA2 0.019 3.979 3.960 -0.000 0.000 0.215 532 G HA3 0.019 3.979 3.960 -0.000 0.000 0.215 532 G C 1.619 176.477 174.900 -0.069 0.000 1.219 532 G CA 0.732 45.812 45.100 -0.034 0.000 0.791 532 G HN 0.674 nan 8.290 nan 0.000 0.550 533 A N 1.001 123.775 122.820 -0.077 0.000 1.877 533 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 533 A C 2.073 179.593 177.584 -0.107 0.000 1.186 533 A CA 2.308 54.287 52.037 -0.097 0.000 0.620 533 A CB -0.749 18.214 19.000 -0.062 0.000 0.822 533 A HN 0.324 nan 8.150 nan 0.000 0.443 534 D N -0.524 119.834 120.400 -0.069 0.000 2.160 534 D HA -0.207 4.433 4.640 -0.000 0.000 0.189 534 D C 2.034 178.212 176.300 -0.205 0.000 1.003 534 D CA 2.198 56.149 54.000 -0.082 0.000 0.846 534 D CB -0.200 40.613 40.800 0.021 0.000 0.949 534 D HN 0.514 nan 8.370 nan 0.000 0.446 535 M N -0.789 118.730 119.600 -0.135 0.000 2.466 535 M HA 0.062 4.542 4.480 -0.000 0.000 0.265 535 M C 1.641 177.837 176.300 -0.173 0.000 1.122 535 M CA 0.308 55.513 55.300 -0.159 0.000 1.157 535 M CB 0.106 32.766 32.600 0.099 0.000 1.352 535 M HN -0.011 nan 8.290 nan 0.000 0.464 536 N N 0.862 119.480 118.700 -0.136 0.000 2.207 536 N HA -0.051 4.689 4.740 -0.000 0.000 0.182 536 N C 1.885 177.272 175.510 -0.206 0.000 1.020 536 N CA 1.476 54.435 53.050 -0.150 0.000 0.858 536 N CB -0.231 38.141 38.487 -0.193 0.000 0.991 536 N HN 0.376 nan 8.380 nan 0.000 0.427 537 G N 2.268 110.934 108.800 -0.223 0.000 2.513 537 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 537 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 537 G C 1.540 176.302 174.900 -0.230 0.000 1.160 537 G CA 0.782 45.764 45.100 -0.197 0.000 0.767 537 G HN 0.146 nan 8.290 nan 0.000 0.571 538 M N 1.031 120.418 119.600 -0.354 0.000 2.149 538 M HA -0.002 4.478 4.480 -0.000 0.000 0.261 538 M C 2.924 179.097 176.300 -0.212 0.000 1.064 538 M CA 1.364 56.411 55.300 -0.422 0.000 1.102 538 M CB -1.170 30.841 32.600 -0.983 0.000 1.369 538 M HN 0.350 nan 8.290 nan 0.000 0.408 539 A N -0.887 121.845 122.820 -0.147 0.000 1.970 539 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 539 A C 2.421 179.998 177.584 -0.012 0.000 1.170 539 A CA 0.901 52.922 52.037 -0.028 0.000 0.645 539 A CB -0.679 18.320 19.000 -0.002 0.000 0.816 539 A HN 0.265 nan 8.150 nan 0.000 0.447 540 V N 0.729 120.614 119.914 -0.048 0.000 2.295 540 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 540 V C 2.592 178.666 176.094 -0.033 0.000 1.049 540 V CA 2.344 64.627 62.300 -0.028 0.000 1.024 540 V CB -0.579 31.213 31.823 -0.052 0.000 0.648 540 V HN 0.664 nan 8.190 nan 0.000 0.447 541 K N 0.136 120.495 120.400 -0.069 0.000 2.044 541 K HA -0.309 4.011 4.320 -0.000 0.000 0.210 541 K C 1.972 178.544 176.600 -0.047 0.000 1.049 541 K CA 2.455 58.696 56.287 -0.076 0.000 0.927 541 K CB -0.506 31.893 32.500 -0.168 0.000 0.713 541 K HN 0.507 nan 8.250 nan 0.000 0.443 542 D N -0.080 120.301 120.400 -0.032 0.000 2.116 542 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 542 D C 1.685 177.995 176.300 0.018 0.000 0.998 542 D CA 1.994 56.001 54.000 0.011 0.000 0.836 542 D CB -0.129 40.705 40.800 0.056 0.000 0.951 542 D HN 0.363 nan 8.370 nan 0.000 0.449 543 A N -0.583 122.249 122.820 0.019 0.000 1.872 543 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 543 A C 2.664 180.245 177.584 -0.005 0.000 1.187 543 A CA 1.380 53.427 52.037 0.017 0.000 0.614 543 A CB -0.977 18.038 19.000 0.025 0.000 0.826 543 A HN 0.487 nan 8.150 nan 0.000 0.442 544 C N -0.545 118.746 119.300 -0.015 0.000 2.422 544 C HA -0.080 4.380 4.460 -0.000 0.000 0.279 544 C C 2.650 177.612 174.990 -0.046 0.000 1.305 544 C CA 1.216 60.215 59.018 -0.032 0.000 1.757 544 C CB -1.255 26.467 27.740 -0.029 0.000 1.962 544 C HN 0.674 nan 8.230 nan 0.000 0.499 545 E N 0.032 120.212 120.200 -0.033 0.000 2.072 545 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 545 E C 2.139 178.721 176.600 -0.029 0.000 0.985 545 E CA 1.640 58.021 56.400 -0.033 0.000 0.801 545 E CB -0.189 29.502 29.700 -0.016 0.000 0.750 545 E HN 0.596 nan 8.360 nan 0.000 0.452 546 T N 1.516 116.062 114.554 -0.015 0.000 2.759 546 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 546 T C 1.909 176.598 174.700 -0.019 0.000 1.042 546 T CA 0.857 62.953 62.100 -0.006 0.000 1.140 546 T CB -0.147 68.723 68.868 0.004 0.000 0.864 546 T HN 0.085 nan 8.240 nan 0.000 0.455 547 L N 0.153 121.355 121.223 -0.035 0.000 2.005 547 L HA -0.017 4.322 4.340 -0.000 0.000 0.207 547 L C 2.982 179.798 176.870 -0.090 0.000 1.072 547 L CA 1.222 56.033 54.840 -0.049 0.000 0.744 547 L CB -0.498 41.535 42.059 -0.043 0.000 0.895 547 L HN 0.097 nan 8.230 nan 0.000 0.433 548 R N 0.248 120.654 120.500 -0.158 0.000 2.103 548 R HA -0.184 4.156 4.340 -0.000 0.000 0.242 548 R C 2.225 178.459 176.300 -0.111 0.000 1.142 548 R CA 1.719 57.623 56.100 -0.327 0.000 0.960 548 R CB -0.628 29.473 30.300 -0.331 0.000 0.858 548 R HN 0.475 nan 8.270 nan 0.000 0.439 549 G N 0.325 109.109 108.800 -0.026 0.000 2.418 549 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 549 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 549 G C 1.471 176.410 174.900 0.065 0.000 1.158 549 G CA 0.541 45.665 45.100 0.040 0.000 0.771 549 G HN 0.325 nan 8.290 nan 0.000 0.545 550 R N -0.394 120.130 120.500 0.040 0.000 2.092 550 R HA 0.165 4.505 4.340 -0.000 0.000 0.231 550 R C 2.626 178.994 176.300 0.113 0.000 1.119 550 R CA 0.608 56.742 56.100 0.056 0.000 0.970 550 R CB -0.398 29.912 30.300 0.016 0.000 0.864 550 R HN 0.308 nan 8.270 nan 0.000 0.440 551 L N 0.166 121.459 121.223 0.115 0.000 2.046 551 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 551 L C 2.648 179.752 176.870 0.390 0.000 1.077 551 L CA 1.144 56.126 54.840 0.237 0.000 0.747 551 L CB -0.571 41.620 42.059 0.219 0.000 0.896 551 L HN 0.259 nan 8.230 nan 0.000 0.432 552 A N 0.404 123.461 122.820 0.395 0.000 1.851 552 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 552 A C 2.404 180.087 177.584 0.165 0.000 1.195 552 A CA 1.859 54.088 52.037 0.321 0.000 0.622 552 A CB -1.480 17.714 19.000 0.323 0.000 0.831 552 A HN 0.429 nan 8.150 nan 0.000 0.444 553 G N -0.875 108.012 108.800 0.146 0.000 2.513 553 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.219 553 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.219 553 G C 1.465 176.424 174.900 0.097 0.000 1.160 553 G CA 1.488 46.647 45.100 0.099 0.000 0.767 553 G HN 0.545 nan 8.290 nan 0.000 0.571 554 F N 1.511 121.461 119.950 0.001 0.000 2.025 554 F HA -0.166 4.361 4.527 0.000 0.000 0.297 554 F C 2.732 178.495 175.800 -0.062 0.000 1.132 554 F CA 2.062 60.041 58.000 -0.035 0.000 1.191 554 F CB -0.746 38.225 39.000 -0.048 0.000 0.963 554 F HN 0.011 nan 8.300 nan 0.000 0.481 555 V N 0.766 120.483 119.914 -0.327 0.000 2.469 555 V HA -0.300 3.820 4.120 -0.000 0.000 0.251 555 V C 2.679 178.594 176.094 -0.297 0.000 1.064 555 V CA 1.688 63.700 62.300 -0.481 0.000 1.066 555 V CB -1.736 29.924 31.823 -0.272 0.000 0.667 555 V HN 0.583 nan 8.190 nan 0.000 0.461 556 A N 0.137 122.870 122.820 -0.144 0.000 1.840 556 A HA -0.026 4.293 4.320 -0.000 0.000 0.214 556 A C 2.493 180.015 177.584 -0.103 0.000 1.198 556 A CA 1.842 53.832 52.037 -0.079 0.000 0.608 556 A CB -1.055 17.936 19.000 -0.016 0.000 0.839 556 A HN 0.541 nan 8.150 nan 0.000 0.443 557 A N -0.478 122.282 122.820 -0.101 0.000 1.903 557 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 557 A C 2.325 179.825 177.584 -0.139 0.000 1.191 557 A CA 2.020 54.003 52.037 -0.091 0.000 0.638 557 A CB -0.622 18.342 19.000 -0.060 0.000 0.823 557 A HN 0.481 nan 8.150 nan 0.000 0.451 558 R N -0.370 119.971 120.500 -0.265 0.000 2.070 558 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 558 R C 0.725 176.916 176.300 -0.181 0.000 1.138 558 R CA 1.575 57.495 56.100 -0.299 0.000 0.936 558 R CB -0.274 29.661 30.300 -0.608 0.000 0.839 558 R HN 0.486 nan 8.270 nan 0.000 0.429 559 E N 0.198 120.300 120.200 -0.163 0.000 2.320 559 E HA 0.073 4.423 4.350 -0.000 0.000 0.189 559 E C -0.012 176.569 176.600 -0.032 0.000 1.100 559 E CA 0.197 56.566 56.400 -0.051 0.000 1.009 559 E CB -0.068 29.647 29.700 0.026 0.000 1.145 559 E HN 0.497 nan 8.360 nan 0.000 0.454 560 G N 2.196 110.965 108.800 -0.051 0.000 2.121 560 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.237 560 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.237 560 G C 0.458 175.347 174.900 -0.017 0.000 0.628 560 G CA 0.824 45.905 45.100 -0.032 0.000 1.062 560 G HN 0.493 nan 8.290 nan 0.000 0.350 561 C N -0.305 118.985 119.300 -0.016 0.000 3.260 561 C HA 0.936 5.396 4.460 -0.000 0.000 0.366 561 C C 0.606 175.596 174.990 0.001 0.000 1.537 561 C CA -0.303 58.713 59.018 -0.003 0.000 1.160 561 C CB 1.179 28.921 27.740 0.004 0.000 1.760 561 C HN 2.141 nan 8.230 nan 0.000 0.432 562 A N 0.467 123.293 122.820 0.010 0.000 2.322 562 A HA 0.705 5.025 4.320 -0.000 0.000 0.269 562 A C 1.269 178.870 177.584 0.028 0.000 1.094 562 A CA 0.381 52.429 52.037 0.018 0.000 0.807 562 A CB 0.333 19.345 19.000 0.021 0.000 1.047 562 A HN 2.382 nan 8.150 nan 0.000 0.487 563 A N 1.350 124.194 122.820 0.039 0.000 1.929 563 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 563 A C 1.988 179.622 177.584 0.082 0.000 1.176 563 A CA 1.475 53.550 52.037 0.064 0.000 0.628 563 A CB -0.477 18.567 19.000 0.073 0.000 0.816 563 A HN 0.956 nan 8.150 nan 0.000 0.444 564 R N -0.419 120.122 120.500 0.069 0.000 2.341 564 R HA -0.069 4.271 4.340 -0.000 0.000 0.213 564 R C -0.123 176.216 176.300 0.066 0.000 1.082 564 R CA 1.497 57.641 56.100 0.073 0.000 1.017 564 R CB -0.446 29.888 30.300 0.057 0.000 0.860 564 R HN 0.236 nan 8.270 nan 0.000 0.473 565 D N 0.665 121.096 120.400 0.052 0.000 2.339 565 D HA 0.057 4.697 4.640 -0.000 0.000 0.217 565 D C -0.155 176.163 176.300 0.031 0.000 1.050 565 D CA 0.230 54.252 54.000 0.037 0.000 0.856 565 D CB 0.553 41.369 40.800 0.026 0.000 0.922 565 D HN 0.022 nan 8.370 nan 0.000 0.518 566 V N 2.436 122.375 119.914 0.041 0.000 2.408 566 V HA 0.229 4.349 4.120 -0.000 0.000 0.267 566 V C 0.446 176.507 176.094 -0.054 0.000 1.047 566 V CA -0.590 61.691 62.300 -0.032 0.000 0.937 566 V CB 0.535 32.332 31.823 -0.044 0.000 0.999 566 V HN -0.067 nan 8.190 nan 0.000 0.472 567 I N 4.817 125.317 120.570 -0.116 0.000 2.359 567 I HA 0.473 4.643 4.170 -0.000 0.000 0.294 567 I C -0.668 175.343 176.117 -0.176 0.000 0.987 567 I CA -0.137 61.144 61.300 -0.031 0.000 1.225 567 I CB 0.956 38.962 38.000 0.010 0.000 1.366 567 I HN 0.340 nan 8.210 nan 0.000 0.466 568 F N 3.936 123.961 119.950 0.125 0.000 2.347 568 F HA 0.462 4.989 4.527 -0.000 0.000 0.366 568 F C -0.150 175.700 175.800 0.083 0.000 1.107 568 F CA -0.511 57.576 58.000 0.145 0.000 1.058 568 F CB 1.105 40.206 39.000 0.168 0.000 1.236 568 F HN 0.458 nan 8.300 nan 0.000 0.456 569 D N 1.324 121.838 120.400 0.190 0.000 2.859 569 D HA 0.586 5.226 4.640 -0.000 0.000 0.223 569 D C -0.281 176.065 176.300 0.077 0.000 1.218 569 D CA -0.331 53.735 54.000 0.110 0.000 0.850 569 D CB 1.832 42.674 40.800 0.071 0.000 1.656 569 D HN 0.674 nan 8.370 nan 0.000 0.484 570 A N 2.518 125.361 122.820 0.039 0.000 2.704 570 A HA 0.125 4.445 4.320 -0.000 0.000 0.299 570 A C 1.487 179.094 177.584 0.038 0.000 1.507 570 A CA 1.915 53.965 52.037 0.021 0.000 0.776 570 A CB -2.214 16.796 19.000 0.016 0.000 1.027 570 A HN 1.892 nan 8.150 nan 0.000 0.475 571 G N -2.523 106.303 108.800 0.043 0.000 2.148 571 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.254 571 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.254 571 G C -0.089 174.920 174.900 0.182 0.000 0.981 571 G CA 1.008 46.154 45.100 0.077 0.000 0.670 571 G HN 1.495 nan 8.290 nan 0.000 0.528 572 Q N -0.990 118.915 119.800 0.176 0.000 2.413 572 Q HA 0.686 5.026 4.340 -0.000 0.000 0.276 572 Q C -0.744 175.375 176.000 0.198 0.000 1.099 572 Q CA -1.004 54.914 55.803 0.192 0.000 0.814 572 Q CB 3.114 31.916 28.738 0.107 0.000 1.379 572 Q HN 0.215 nan 8.270 nan 0.000 0.436 573 V N 1.420 121.457 119.914 0.206 0.000 2.495 573 V HA 0.395 4.515 4.120 -0.000 0.000 0.298 573 V C -0.518 175.670 176.094 0.156 0.000 1.031 573 V CA -0.707 61.624 62.300 0.051 0.000 0.871 573 V CB 1.675 33.495 31.823 -0.005 0.000 0.988 573 V HN 0.667 nan 8.190 nan 0.000 0.432 574 Q N 2.278 122.079 119.800 0.002 0.000 2.372 574 Q HA 0.869 5.209 4.340 -0.000 0.000 0.273 574 Q C -0.822 175.206 176.000 0.046 0.000 1.078 574 Q CA -0.638 55.175 55.803 0.016 0.000 0.806 574 Q CB 2.891 31.602 28.738 -0.044 0.000 1.332 574 Q HN 1.003 nan 8.270 nan 0.000 0.435 575 A N 0.447 123.316 122.820 0.081 0.000 2.583 575 A HA 0.497 4.817 4.320 -0.000 0.000 0.292 575 A C -0.446 177.167 177.584 0.048 0.000 1.045 575 A CA -0.365 51.719 52.037 0.079 0.000 0.672 575 A CB 0.991 20.063 19.000 0.120 0.000 1.283 575 A HN 0.662 nan 8.150 nan 0.000 0.419 576 S N -0.049 115.666 115.700 0.025 0.000 3.549 576 S HA -0.035 4.435 4.470 -0.000 0.000 0.366 576 S C 1.636 176.211 174.600 -0.042 0.000 1.012 576 S CA 1.980 60.183 58.200 0.005 0.000 1.141 576 S CB -1.555 61.669 63.200 0.038 0.000 0.910 576 S HN 2.820 nan 8.310 nan 0.000 0.471 577 G N -0.224 108.537 108.800 -0.066 0.000 2.212 577 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.267 577 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.267 577 G C -0.150 174.640 174.900 -0.184 0.000 1.002 577 G CA 1.162 46.201 45.100 -0.101 0.000 0.729 577 G HN 0.690 nan 8.290 nan 0.000 0.517 578 K N -0.321 119.909 120.400 -0.284 0.000 2.318 578 K HA 0.697 5.017 4.320 -0.000 0.000 0.249 578 K C -0.354 175.684 176.600 -0.937 0.000 0.942 578 K CA -0.495 55.435 56.287 -0.595 0.000 0.808 578 K CB 2.165 34.280 32.500 -0.641 0.000 1.189 578 K HN 0.111 nan 8.250 nan 0.000 0.428 579 S N 1.517 116.607 115.700 -1.017 0.000 2.536 579 S HA 0.693 5.163 4.470 -0.000 0.000 0.298 579 S C -1.659 172.424 174.600 -0.862 0.000 1.083 579 S CA -0.670 57.098 58.200 -0.720 0.000 0.995 579 S CB 0.638 63.640 63.200 -0.330 0.000 1.058 579 S HN 0.516 nan 8.310 nan 0.000 0.488 580 W N 1.961 123.259 121.300 -0.003 0.000 3.137 580 W HA 0.425 5.085 4.660 -0.000 0.000 0.324 580 W C -0.308 176.241 176.519 0.049 0.000 1.253 580 W CA -0.936 56.420 57.345 0.019 0.000 1.183 580 W CB 1.493 30.961 29.460 0.013 0.000 1.424 580 W HN 0.529 nan 8.180 nan 0.000 0.566 581 R N 1.039 121.719 120.500 0.300 0.000 2.490 581 R HA 0.110 4.450 4.340 -0.000 0.000 0.280 581 R C 1.296 177.769 176.300 0.288 0.000 1.077 581 R CA -0.336 55.915 56.100 0.253 0.000 1.065 581 R CB 0.566 30.979 30.300 0.189 0.000 1.003 581 R HN 0.444 nan 8.270 nan 0.000 0.470 582 F N 3.164 123.216 119.950 0.169 0.000 2.085 582 F HA -0.363 4.164 4.527 -0.000 0.000 0.299 582 F C 1.992 177.876 175.800 0.141 0.000 1.096 582 F CA 2.314 60.423 58.000 0.181 0.000 1.227 582 F CB -0.206 38.898 39.000 0.172 0.000 0.983 582 F HN 0.709 nan 8.300 nan 0.000 0.482 583 A N 0.001 122.936 122.820 0.192 0.000 1.892 583 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 583 A C 2.079 179.658 177.584 -0.008 0.000 1.188 583 A CA 2.086 54.164 52.037 0.069 0.000 0.631 583 A CB -1.044 18.031 19.000 0.125 0.000 0.822 583 A HN 0.607 nan 8.150 nan 0.000 0.447 584 E N -0.355 119.873 120.200 0.048 0.000 2.160 584 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 584 E C 1.831 178.400 176.600 -0.052 0.000 0.991 584 E CA 1.120 57.540 56.400 0.034 0.000 0.810 584 E CB -0.223 29.546 29.700 0.114 0.000 0.742 584 E HN 0.646 nan 8.360 nan 0.000 0.466 585 I N 0.469 120.974 120.570 -0.107 0.000 2.333 585 I HA -0.161 4.009 4.170 -0.000 0.000 0.246 585 I C 2.373 178.372 176.117 -0.197 0.000 1.106 585 I CA 0.799 62.011 61.300 -0.147 0.000 1.411 585 I CB -0.878 37.038 38.000 -0.140 0.000 1.082 585 I HN 0.014 nan 8.210 nan 0.000 0.420 586 V N 1.751 121.483 119.914 -0.304 0.000 2.343 586 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 586 V C 2.903 178.903 176.094 -0.156 0.000 1.051 586 V CA 1.905 64.032 62.300 -0.288 0.000 1.036 586 V CB -1.075 30.563 31.823 -0.309 0.000 0.654 586 V HN 0.447 nan 8.190 nan 0.000 0.451 587 A N 0.094 122.862 122.820 -0.087 0.000 1.858 587 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 587 A C 2.470 180.045 177.584 -0.016 0.000 1.190 587 A CA 2.158 54.200 52.037 0.008 0.000 0.617 587 A CB -0.997 18.016 19.000 0.021 0.000 0.827 587 A HN 0.565 nan 8.150 nan 0.000 0.443 588 A N -0.117 122.662 122.820 -0.068 0.000 1.883 588 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 588 A C 2.531 179.864 177.584 -0.418 0.000 1.186 588 A CA 2.503 54.498 52.037 -0.070 0.000 0.624 588 A CB -1.150 17.922 19.000 0.121 0.000 0.822 588 A HN 1.164 nan 8.150 nan 0.000 0.444 589 A N -1.299 121.053 122.820 -0.779 0.000 1.908 589 A HA -0.130 4.189 4.320 -0.000 0.000 0.218 589 A C 2.128 179.417 177.584 -0.493 0.000 1.181 589 A CA 1.850 53.212 52.037 -1.125 0.000 0.627 589 A CB -0.909 17.606 19.000 -0.808 0.000 0.818 589 A HN 0.832 nan 8.150 nan 0.000 0.445 590 Y N 0.623 120.716 120.300 -0.346 0.000 2.053 590 Y HA -0.303 4.247 4.550 -0.000 0.000 0.277 590 Y C 2.347 178.146 175.900 -0.168 0.000 1.159 590 Y CA 2.251 60.228 58.100 -0.204 0.000 1.125 590 Y CB -0.535 37.846 38.460 -0.132 0.000 0.969 590 Y HN 0.259 nan 8.280 nan 0.000 0.492 591 M N 0.293 119.601 119.600 -0.487 0.000 2.116 591 M HA -0.270 4.210 4.480 -0.000 0.000 0.255 591 M C 2.249 178.352 176.300 -0.328 0.000 1.075 591 M CA 2.053 57.089 55.300 -0.440 0.000 1.087 591 M CB -1.745 30.741 32.600 -0.190 0.000 1.340 591 M HN 0.526 nan 8.290 nan 0.000 0.402 592 A N -0.371 122.276 122.820 -0.289 0.000 2.235 592 A HA 0.032 4.352 4.320 -0.000 0.000 0.208 592 A C 0.740 178.222 177.584 -0.170 0.000 1.172 592 A CA 0.063 51.998 52.037 -0.170 0.000 0.786 592 A CB -0.420 18.516 19.000 -0.107 0.000 0.804 592 A HN 0.593 nan 8.150 nan 0.000 0.479 593 R N -1.481 118.877 120.500 -0.237 0.000 3.201 593 R HA -0.141 4.199 4.340 -0.000 0.000 0.254 593 R C -1.256 174.979 176.300 -0.109 0.000 0.978 593 R CA 0.748 56.749 56.100 -0.164 0.000 0.661 593 R CB -2.229 27.997 30.300 -0.124 0.000 1.170 593 R HN 0.545 nan 8.270 nan 0.000 0.430 594 I N 0.179 120.670 120.570 -0.131 0.000 2.406 594 I HA 0.135 4.305 4.170 -0.000 0.000 0.290 594 I C 0.883 176.963 176.117 -0.061 0.000 0.999 594 I CA -0.579 60.662 61.300 -0.098 0.000 1.124 594 I CB 1.943 39.854 38.000 -0.149 0.000 1.289 594 I HN 0.117 nan 8.210 nan 0.000 0.441 595 S N 6.451 122.129 115.700 -0.035 0.000 2.575 595 S HA 0.131 4.601 4.470 -0.000 0.000 0.295 595 S C 0.419 174.996 174.600 -0.039 0.000 1.267 595 S CA 0.062 58.248 58.200 -0.024 0.000 1.074 595 S CB 0.068 63.257 63.200 -0.017 0.000 0.829 595 S HN 0.512 nan 8.310 nan 0.000 0.497 596 L N 4.492 125.688 121.223 -0.045 0.000 3.094 596 L HA 0.332 4.672 4.340 -0.000 0.000 0.254 596 L C 0.335 177.152 176.870 -0.089 0.000 1.298 596 L CA -0.256 54.541 54.840 -0.072 0.000 1.050 596 L CB 0.344 42.348 42.059 -0.092 0.000 1.420 596 L HN 0.499 nan 8.230 nan 0.000 0.548 597 S N 0.941 116.605 115.700 -0.060 0.000 2.647 597 S HA 0.820 5.289 4.470 -0.000 0.000 0.300 597 S C -0.705 173.876 174.600 -0.032 0.000 1.129 597 S CA -0.351 57.816 58.200 -0.056 0.000 1.029 597 S CB 1.568 64.743 63.200 -0.041 0.000 1.007 597 S HN 0.300 nan 8.310 nan 0.000 0.484 598 A N 3.184 125.988 122.820 -0.027 0.000 2.398 598 A HA 0.755 5.075 4.320 -0.000 0.000 0.301 598 A C -0.042 177.548 177.584 0.009 0.000 1.041 598 A CA -0.762 51.271 52.037 -0.006 0.000 0.711 598 A CB 1.203 20.199 19.000 -0.006 0.000 1.240 598 A HN 0.809 nan 8.150 nan 0.000 0.420 599 T N -0.057 114.512 114.554 0.025 0.000 2.909 599 T HA 0.716 5.066 4.350 -0.000 0.000 0.289 599 T C 0.332 175.076 174.700 0.072 0.000 1.005 599 T CA 0.022 62.152 62.100 0.050 0.000 1.084 599 T CB 1.637 70.534 68.868 0.050 0.000 0.975 599 T HN 1.488 nan 8.240 nan 0.000 0.509 600 G N 0.860 109.723 108.800 0.104 0.000 2.571 600 G HA2 0.647 4.607 3.960 -0.000 0.000 0.304 600 G HA3 0.647 4.607 3.960 -0.000 0.000 0.304 600 G C -2.009 173.030 174.900 0.231 0.000 1.314 600 G CA -0.886 44.295 45.100 0.134 0.000 0.975 600 G HN 0.757 nan 8.290 nan 0.000 0.485 601 F N 1.201 121.190 119.950 0.065 0.000 2.599 601 F HA 0.789 5.316 4.527 -0.000 0.000 0.311 601 F C -1.829 174.061 175.800 0.150 0.000 1.076 601 F CA -1.338 56.715 58.000 0.088 0.000 0.937 601 F CB 2.392 41.424 39.000 0.053 0.000 1.282 601 F HN 0.565 nan 8.300 nan 0.000 0.460 602 Y N 3.230 122.951 120.300 -0.965 0.000 2.504 602 Y HA 0.766 5.315 4.550 -0.000 0.000 0.344 602 Y C -1.765 173.630 175.900 -0.841 0.000 1.023 602 Y CA -0.842 56.862 58.100 -0.661 0.000 1.020 602 Y CB 1.830 40.094 38.460 -0.328 0.000 1.282 602 Y HN 0.887 nan 8.280 nan 0.000 0.454 603 A N 3.516 125.638 122.820 -1.163 0.000 2.343 603 A HA 0.589 4.909 4.320 -0.000 0.000 0.308 603 A C -0.808 176.119 177.584 -1.094 0.000 1.092 603 A CA -0.750 50.793 52.037 -0.824 0.000 0.751 603 A CB 0.694 19.526 19.000 -0.279 0.000 1.203 603 A HN 0.713 nan 8.150 nan 0.000 0.452 604 T N 5.476 119.678 114.554 -0.587 0.000 2.817 604 T HA 0.402 4.752 4.350 -0.000 0.000 0.295 604 T C -1.912 172.708 174.700 -0.132 0.000 0.958 604 T CA -0.136 61.836 62.100 -0.214 0.000 1.157 604 T CB 0.143 69.067 68.868 0.094 0.000 0.898 604 T HN 0.621 nan 8.240 nan 0.000 0.536 605 P HA 0.439 nan 4.420 nan 0.000 0.284 605 P C -0.010 177.295 177.300 0.008 0.000 1.287 605 P CA -0.720 62.359 63.100 -0.035 0.000 0.824 605 P CB 0.853 32.539 31.700 -0.024 0.000 1.180 606 K N -2.355 118.051 120.400 0.011 0.000 3.547 606 K HA -0.147 4.173 4.320 -0.000 0.000 0.309 606 K C -0.011 176.599 176.600 0.016 0.000 1.324 606 K CA 0.754 57.052 56.287 0.019 0.000 0.988 606 K CB -1.793 30.723 32.500 0.027 0.000 1.261 606 K HN 0.373 nan 8.250 nan 0.000 0.444 607 L N 0.743 121.974 121.223 0.012 0.000 2.357 607 L HA 0.557 4.897 4.340 -0.000 0.000 0.273 607 L C 0.295 177.192 176.870 0.045 0.000 1.080 607 L CA -0.383 54.460 54.840 0.004 0.000 0.803 607 L CB 1.766 43.819 42.059 -0.009 0.000 1.174 607 L HN 0.172 nan 8.230 nan 0.000 0.443 608 S N 2.876 118.627 115.700 0.086 0.000 2.754 608 S HA 0.446 4.916 4.470 -0.000 0.000 0.302 608 S C -2.282 172.474 174.600 0.261 0.000 0.922 608 S CA -0.904 57.390 58.200 0.156 0.000 0.822 608 S CB 0.634 63.886 63.200 0.086 0.000 1.020 608 S HN 0.898 nan 8.310 nan 0.000 0.475 609 W N 3.715 124.974 121.300 -0.068 0.000 3.499 609 W HA 0.476 5.136 4.660 -0.000 0.000 0.288 609 W C -2.447 174.029 176.519 -0.072 0.000 1.258 609 W CA -0.485 56.810 57.345 -0.084 0.000 1.203 609 W CB 0.217 29.597 29.460 -0.133 0.000 1.325 609 W HN 0.736 nan 8.180 nan 0.000 0.564 610 D N 3.656 123.831 120.400 -0.375 0.000 2.313 610 D HA 0.195 4.835 4.640 -0.000 0.000 0.239 610 D C 1.127 176.890 176.300 -0.894 0.000 1.142 610 D CA -0.107 53.576 54.000 -0.528 0.000 0.847 610 D CB 1.537 42.191 40.800 -0.244 0.000 1.082 610 D HN 0.558 nan 8.370 nan 0.000 0.480 611 R N 3.650 123.525 120.500 -1.042 0.000 2.090 611 R HA -0.021 4.319 4.340 -0.000 0.000 0.228 611 R C 1.737 177.930 176.300 -0.177 0.000 1.110 611 R CA 0.588 56.145 56.100 -0.905 0.000 0.973 611 R CB 0.121 30.083 30.300 -0.562 0.000 0.869 611 R HN 0.504 nan 8.270 nan 0.000 0.440 612 L N 0.091 121.238 121.223 -0.127 0.000 2.109 612 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 612 L C 2.459 179.396 176.870 0.113 0.000 1.086 612 L CA 1.123 55.995 54.840 0.052 0.000 0.760 612 L CB -0.169 41.891 42.059 0.002 0.000 0.910 612 L HN 0.124 nan 8.230 nan 0.000 0.437 613 R N -0.056 120.419 120.500 -0.041 0.000 2.246 613 R HA 0.118 4.458 4.340 -0.000 0.000 0.199 613 R C 0.920 177.081 176.300 -0.230 0.000 0.984 613 R CA 0.671 56.740 56.100 -0.051 0.000 1.015 613 R CB 0.078 30.338 30.300 -0.067 0.000 0.930 613 R HN 0.393 nan 8.270 nan 0.000 0.475 614 G N 2.004 110.505 108.800 -0.498 0.000 2.289 614 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.280 614 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.280 614 G C -0.384 174.209 174.900 -0.511 0.000 1.089 614 G CA -0.034 44.318 45.100 -1.246 0.000 0.939 614 G HN 0.162 nan 8.290 nan 0.000 0.499 615 Q N -0.952 118.742 119.800 -0.177 0.000 2.315 615 Q HA 0.727 5.067 4.340 -0.000 0.000 0.273 615 Q C 0.434 176.538 176.000 0.173 0.000 1.053 615 Q CA 0.489 56.295 55.803 0.005 0.000 0.817 615 Q CB 2.037 30.752 28.738 -0.039 0.000 1.326 615 Q HN 1.738 nan 8.270 nan 0.000 0.423 616 G N 1.626 110.548 108.800 0.203 0.000 2.260 616 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.250 616 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.250 616 G C -1.410 173.589 174.900 0.164 0.000 1.340 616 G CA -0.922 44.302 45.100 0.207 0.000 1.056 616 G HN 0.329 nan 8.290 nan 0.000 0.471 617 R N 1.842 122.411 120.500 0.116 0.000 2.396 617 R HA 0.395 4.735 4.340 -0.000 0.000 0.292 617 R C -1.767 174.404 176.300 -0.214 0.000 1.240 617 R CA -1.662 54.430 56.100 -0.013 0.000 1.270 617 R CB 1.509 31.808 30.300 -0.001 0.000 1.108 617 R HN 0.310 nan 8.270 nan 0.000 0.573 618 P HA -0.013 nan 4.420 nan 0.000 0.236 618 P C -0.388 176.264 177.300 -1.079 0.000 1.177 618 P CA 0.612 62.963 63.100 -1.248 0.000 0.773 618 P CB 0.283 30.565 31.700 -2.364 0.000 0.878 619 F N -1.058 118.697 119.950 -0.326 0.000 2.520 619 F HA 0.251 4.777 4.527 -0.000 0.000 0.322 619 F C 1.501 177.124 175.800 -0.295 0.000 1.103 619 F CA -1.189 56.584 58.000 -0.379 0.000 0.926 619 F CB 1.620 40.249 39.000 -0.619 0.000 1.154 619 F HN -0.344 nan 8.300 nan 0.000 0.453 620 L N 3.511 124.738 121.223 0.007 0.000 2.046 620 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 620 L C -0.254 176.697 176.870 0.136 0.000 1.077 620 L CA 1.815 56.718 54.840 0.105 0.000 0.747 620 L CB -0.463 41.757 42.059 0.268 0.000 0.896 620 L HN 0.684 nan 8.230 nan 0.000 0.432 621 Y N -5.735 114.428 120.300 -0.229 0.000 0.000 621 Y HA 0.527 5.078 4.550 0.000 0.000 0.000 621 Y C -1.298 174.269 175.900 -0.555 0.000 0.000 621 Y CA -2.395 55.525 58.100 -0.300 0.000 0.000 621 Y CB 0.306 38.722 38.460 -0.073 0.000 0.000 621 Y HN -0.224 nan 8.280 nan 0.000 0.000 622 F N 1.067 121.006 119.950 -0.018 0.000 2.546 622 F HA 0.867 5.394 4.527 -0.000 0.000 0.320 622 F C 0.116 175.807 175.800 -0.182 0.000 1.076 622 F CA -0.918 56.887 58.000 -0.324 0.000 0.928 622 F CB 2.341 41.033 39.000 -0.513 0.000 1.189 622 F HN 0.792 nan 8.300 nan 0.000 0.465 623 A N 2.197 124.945 122.820 -0.120 0.000 2.325 623 A HA 0.830 5.150 4.320 -0.000 0.000 0.333 623 A C -1.800 175.589 177.584 -0.325 0.000 1.155 623 A CA -0.424 51.588 52.037 -0.042 0.000 0.814 623 A CB 0.606 19.638 19.000 0.053 0.000 1.206 623 A HN 0.712 nan 8.150 nan 0.000 0.482 624 Y N -0.129 120.087 120.300 -0.141 0.000 2.633 624 Y HA 0.774 5.324 4.550 -0.000 0.000 0.339 624 Y C 0.745 176.405 175.900 -0.401 0.000 1.045 624 Y CA 0.017 57.980 58.100 -0.229 0.000 1.098 624 Y CB 2.592 40.877 38.460 -0.293 0.000 1.296 624 Y HN 1.194 nan 8.280 nan 0.000 0.494 625 G N -0.451 108.297 108.800 -0.087 0.000 2.316 625 G HA2 0.631 4.591 3.960 -0.000 0.000 0.296 625 G HA3 0.631 4.591 3.960 -0.000 0.000 0.296 625 G C -2.225 172.681 174.900 0.010 0.000 1.399 625 G CA -0.123 44.953 45.100 -0.040 0.000 0.833 625 G HN 1.006 nan 8.290 nan 0.000 0.565 626 A N -1.221 121.619 122.820 0.034 0.000 2.609 626 A HA 1.109 5.429 4.320 -0.000 0.000 0.291 626 A C -0.597 177.006 177.584 0.032 0.000 1.096 626 A CA 0.173 52.221 52.037 0.018 0.000 0.684 626 A CB 1.452 20.424 19.000 -0.046 0.000 1.282 626 A HN 2.609 nan 8.150 nan 0.000 0.412 627 A N 0.620 123.453 122.820 0.023 0.000 2.437 627 A HA 0.691 5.011 4.320 -0.000 0.000 0.293 627 A C -1.246 176.321 177.584 -0.029 0.000 1.038 627 A CA -0.225 51.813 52.037 0.002 0.000 0.708 627 A CB 0.638 19.669 19.000 0.052 0.000 1.251 627 A HN 0.796 nan 8.150 nan 0.000 0.409 628 I N 2.184 122.709 120.570 -0.074 0.000 2.336 628 I HA 0.438 4.608 4.170 -0.000 0.000 0.292 628 I C 0.052 176.154 176.117 -0.024 0.000 0.991 628 I CA 0.191 61.443 61.300 -0.080 0.000 1.227 628 I CB 2.089 39.993 38.000 -0.160 0.000 1.366 628 I HN 0.619 nan 8.210 nan 0.000 0.466 629 T N 5.468 120.038 114.554 0.025 0.000 2.856 629 T HA 0.395 4.745 4.350 -0.000 0.000 0.283 629 T C -0.640 174.081 174.700 0.036 0.000 1.008 629 T CA -0.711 61.409 62.100 0.033 0.000 0.997 629 T CB 1.872 70.804 68.868 0.107 0.000 0.992 629 T HN 0.459 nan 8.240 nan 0.000 0.454 630 E N 2.043 122.244 120.200 0.003 0.000 2.224 630 E HA 0.584 4.934 4.350 -0.000 0.000 0.265 630 E C -1.205 175.365 176.600 -0.050 0.000 0.878 630 E CA -0.716 55.672 56.400 -0.019 0.000 0.759 630 E CB 1.857 31.538 29.700 -0.032 0.000 1.164 630 E HN 0.546 nan 8.360 nan 0.000 0.414 631 V N 0.552 120.429 119.914 -0.061 0.000 2.962 631 V HA 0.730 4.850 4.120 -0.000 0.000 0.313 631 V C -0.430 175.607 176.094 -0.095 0.000 1.099 631 V CA -0.873 61.385 62.300 -0.071 0.000 0.971 631 V CB 1.587 33.377 31.823 -0.055 0.000 1.028 631 V HN 0.339 nan 8.190 nan 0.000 0.430 632 V N 2.674 122.536 119.914 -0.087 0.000 2.581 632 V HA 0.779 4.899 4.120 -0.000 0.000 0.303 632 V C 0.028 176.104 176.094 -0.030 0.000 1.041 632 V CA -0.515 61.745 62.300 -0.067 0.000 0.907 632 V CB 1.005 32.792 31.823 -0.059 0.000 0.994 632 V HN 1.159 nan 8.190 nan 0.000 0.442 633 I N -0.698 119.870 120.570 -0.003 0.000 3.067 633 I HA 0.833 5.003 4.170 -0.000 0.000 0.312 633 I C -1.110 175.021 176.117 0.022 0.000 1.073 633 I CA -0.677 60.620 61.300 -0.004 0.000 1.016 633 I CB 2.345 40.328 38.000 -0.029 0.000 1.227 633 I HN 0.504 nan 8.210 nan 0.000 0.456 634 D N 1.472 121.875 120.400 0.006 0.000 2.414 634 D HA 0.345 4.985 4.640 -0.000 0.000 0.232 634 D C 0.602 176.901 176.300 -0.002 0.000 1.070 634 D CA -0.499 53.508 54.000 0.011 0.000 0.839 634 D CB 1.407 42.210 40.800 0.004 0.000 1.079 634 D HN 0.470 nan 8.370 nan 0.000 0.521 635 R N 2.695 123.196 120.500 0.001 0.000 2.293 635 R HA -0.012 4.327 4.340 -0.000 0.000 0.219 635 R C 1.229 177.521 176.300 -0.014 0.000 1.091 635 R CA 0.661 56.755 56.100 -0.010 0.000 1.004 635 R CB 0.251 30.545 30.300 -0.011 0.000 0.865 635 R HN 0.525 nan 8.270 nan 0.000 0.469 636 L N -0.958 120.258 121.223 -0.011 0.000 2.265 636 L HA -0.038 4.302 4.340 -0.000 0.000 0.195 636 L C 2.509 179.371 176.870 -0.013 0.000 1.083 636 L CA 1.347 56.179 54.840 -0.012 0.000 0.798 636 L CB -0.374 41.679 42.059 -0.010 0.000 0.989 636 L HN 0.197 nan 8.230 nan 0.000 0.472 637 T N -4.067 110.480 114.554 -0.012 0.000 3.010 637 T HA 0.197 4.547 4.350 -0.000 0.000 0.252 637 T C 1.464 176.153 174.700 -0.018 0.000 1.047 637 T CA 0.815 62.907 62.100 -0.014 0.000 1.140 637 T CB 0.614 69.475 68.868 -0.012 0.000 0.885 637 T HN 0.449 nan 8.240 nan 0.000 0.464 638 G N 1.210 109.998 108.800 -0.019 0.000 2.201 638 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.212 638 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.212 638 G C -0.119 174.765 174.900 -0.027 0.000 0.994 638 G CA -0.062 45.023 45.100 -0.025 0.000 0.644 638 G HN 0.674 nan 8.290 nan 0.000 0.508 639 E N 0.644 120.830 120.200 -0.022 0.000 2.461 639 E HA 0.399 4.749 4.350 -0.000 0.000 0.263 639 E C 0.537 177.123 176.600 -0.024 0.000 1.143 639 E CA 0.962 57.348 56.400 -0.024 0.000 0.994 639 E CB 0.203 29.892 29.700 -0.018 0.000 0.973 639 E HN 0.831 nan 8.360 nan 0.000 0.457 640 N N -0.444 118.239 118.700 -0.028 0.000 3.322 640 N HA 0.399 5.138 4.740 -0.000 0.000 0.233 640 N C -1.626 173.861 175.510 -0.039 0.000 1.399 640 N CA -0.994 52.036 53.050 -0.033 0.000 0.894 640 N CB 1.322 39.784 38.487 -0.042 0.000 1.440 640 N HN 0.261 nan 8.380 nan 0.000 0.503 641 R N 0.548 121.022 120.500 -0.044 0.000 2.536 641 R HA 0.391 4.731 4.340 -0.000 0.000 0.269 641 R C -1.584 174.682 176.300 -0.057 0.000 1.113 641 R CA -0.516 55.556 56.100 -0.048 0.000 0.948 641 R CB 1.386 31.663 30.300 -0.039 0.000 1.237 641 R HN 0.773 nan 8.270 nan 0.000 0.441 642 I N 6.049 126.583 120.570 -0.061 0.000 2.294 642 I HA 0.039 4.209 4.170 -0.000 0.000 0.295 642 I C 1.578 177.650 176.117 -0.076 0.000 1.098 642 I CA -0.002 61.260 61.300 -0.062 0.000 1.277 642 I CB 0.819 38.787 38.000 -0.054 0.000 1.434 642 I HN 0.528 nan 8.210 nan 0.000 0.498 643 L N 5.396 126.572 121.223 -0.078 0.000 2.072 643 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 643 L C 1.224 178.049 176.870 -0.076 0.000 1.079 643 L CA 1.104 55.896 54.840 -0.080 0.000 0.752 643 L CB -0.239 41.758 42.059 -0.103 0.000 0.906 643 L HN 0.539 nan 8.230 nan 0.000 0.436 644 R N -0.795 119.659 120.500 -0.076 0.000 2.535 644 R HA 0.381 4.721 4.340 -0.000 0.000 0.274 644 R C -1.623 174.626 176.300 -0.084 0.000 1.090 644 R CA -0.301 55.758 56.100 -0.068 0.000 0.930 644 R CB 1.847 32.124 30.300 -0.039 0.000 1.223 644 R HN -0.201 nan 8.270 nan 0.000 0.441 645 T N 2.868 117.347 114.554 -0.124 0.000 2.841 645 T HA 0.370 4.720 4.350 -0.000 0.000 0.285 645 T C -1.391 173.276 174.700 -0.054 0.000 0.991 645 T CA -0.758 61.233 62.100 -0.181 0.000 0.966 645 T CB 1.339 69.875 68.868 -0.554 0.000 0.962 645 T HN 0.429 nan 8.240 nan 0.000 0.438 646 D N 3.285 123.651 120.400 -0.056 0.000 2.481 646 D HA 0.449 5.089 4.640 -0.000 0.000 0.246 646 D C -0.495 175.784 176.300 -0.034 0.000 1.109 646 D CA -0.261 53.730 54.000 -0.015 0.000 0.845 646 D CB 2.036 42.834 40.800 -0.003 0.000 1.160 646 D HN 0.393 nan 8.370 nan 0.000 0.534 647 I N 2.089 122.651 120.570 -0.015 0.000 2.474 647 I HA 0.299 4.468 4.170 -0.000 0.000 0.294 647 I C -0.803 175.339 176.117 0.042 0.000 1.005 647 I CA -1.014 60.288 61.300 0.002 0.000 1.113 647 I CB 2.269 40.266 38.000 -0.005 0.000 1.289 647 I HN 0.070 nan 8.210 nan 0.000 0.436 648 L N 6.800 128.063 121.223 0.067 0.000 2.343 648 L HA 0.525 4.865 4.340 -0.000 0.000 0.278 648 L C -1.119 175.839 176.870 0.146 0.000 0.996 648 L CA -0.069 54.837 54.840 0.111 0.000 0.831 648 L CB 0.916 43.038 42.059 0.106 0.000 1.232 648 L HN 0.545 nan 8.230 nan 0.000 0.413 649 H N 1.954 121.073 119.070 0.082 0.000 2.622 649 H HA 0.518 5.074 4.556 -0.000 0.000 0.363 649 H C -1.361 174.060 175.328 0.154 0.000 1.151 649 H CA -0.616 55.480 56.048 0.080 0.000 1.184 649 H CB 1.649 31.448 29.762 0.061 0.000 1.643 649 H HN 0.665 nan 8.280 nan 0.000 0.531 650 D N 2.830 122.986 120.400 -0.406 0.000 2.396 650 D HA 0.290 4.930 4.640 -0.000 0.000 0.225 650 D C -0.411 175.883 176.300 -0.011 0.000 1.121 650 D CA -0.361 53.603 54.000 -0.061 0.000 0.853 650 D CB 0.673 41.437 40.800 -0.060 0.000 1.043 650 D HN 0.605 nan 8.370 nan 0.000 0.500 651 A N 3.450 126.358 122.820 0.146 0.000 2.577 651 A HA 0.629 4.949 4.320 -0.000 0.000 0.280 651 A C 1.332 178.988 177.584 0.119 0.000 1.331 651 A CA 0.214 52.346 52.037 0.158 0.000 0.935 651 A CB -0.736 18.360 19.000 0.160 0.000 1.082 651 A HN 0.926 nan 8.150 nan 0.000 0.525 652 G N 0.111 108.986 108.800 0.126 0.000 2.574 652 G HA2 0.088 4.048 3.960 -0.000 0.000 0.282 652 G HA3 0.088 4.048 3.960 -0.000 0.000 0.282 652 G C 0.550 175.480 174.900 0.050 0.000 1.257 652 G CA 0.129 45.276 45.100 0.078 0.000 0.956 652 G HN 1.855 nan 8.290 nan 0.000 0.560 653 A N -0.121 122.711 122.820 0.019 0.000 2.343 653 A HA 0.647 4.967 4.320 -0.000 0.000 0.305 653 A C 0.789 178.385 177.584 0.020 0.000 1.308 653 A CA 1.301 53.343 52.037 0.008 0.000 0.949 653 A CB 0.270 19.273 19.000 0.004 0.000 1.148 653 A HN 2.226 nan 8.150 nan 0.000 0.545 654 S N 3.133 118.843 115.700 0.017 0.000 2.505 654 S HA 0.243 4.713 4.470 -0.000 0.000 0.276 654 S C 1.195 175.799 174.600 0.006 0.000 1.274 654 S CA -0.627 57.588 58.200 0.025 0.000 1.053 654 S CB -0.128 63.091 63.200 0.031 0.000 0.919 654 S HN 0.569 nan 8.310 nan 0.000 0.490 655 L N 3.357 124.590 121.223 0.017 0.000 2.129 655 L HA -0.025 4.315 4.340 -0.000 0.000 0.212 655 L C 1.220 178.076 176.870 -0.024 0.000 1.087 655 L CA 0.910 55.751 54.840 0.001 0.000 0.757 655 L CB -0.361 41.712 42.059 0.022 0.000 0.896 655 L HN 0.684 nan 8.230 nan 0.000 0.434 656 N N -1.629 117.065 118.700 -0.011 0.000 2.699 656 N HA 0.138 4.878 4.740 -0.000 0.000 0.271 656 N C -2.380 173.130 175.510 0.000 0.000 1.216 656 N CA -1.149 51.893 53.050 -0.014 0.000 0.844 656 N CB 1.637 40.115 38.487 -0.015 0.000 1.462 656 N HN -0.303 nan 8.380 nan 0.000 0.555 657 P HA 0.023 nan 4.420 nan 0.000 0.219 657 P C 0.977 178.281 177.300 0.006 0.000 1.150 657 P CA 0.974 64.077 63.100 0.004 0.000 0.814 657 P CB 0.421 32.118 31.700 -0.006 0.000 0.787 658 A N -0.327 122.495 122.820 0.003 0.000 1.872 658 A HA -0.085 4.235 4.320 -0.000 0.000 0.214 658 A C 2.170 179.764 177.584 0.018 0.000 1.187 658 A CA 1.150 53.191 52.037 0.007 0.000 0.614 658 A CB -1.536 17.470 19.000 0.009 0.000 0.826 658 A HN 0.092 nan 8.150 nan 0.000 0.442 659 L N -0.498 120.740 121.223 0.025 0.000 2.201 659 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 659 L C 1.757 178.649 176.870 0.036 0.000 1.105 659 L CA 1.127 55.992 54.840 0.041 0.000 0.775 659 L CB -0.582 41.499 42.059 0.037 0.000 0.913 659 L HN 0.298 nan 8.230 nan 0.000 0.440 660 D N 0.066 120.484 120.400 0.029 0.000 2.137 660 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 660 D C 2.313 178.627 176.300 0.023 0.000 0.970 660 D CA 0.817 54.838 54.000 0.035 0.000 0.837 660 D CB 0.116 40.947 40.800 0.051 0.000 0.981 660 D HN 0.084 nan 8.370 nan 0.000 0.475 661 I N 1.191 121.766 120.570 0.008 0.000 2.163 661 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 661 I C 2.493 178.584 176.117 -0.042 0.000 1.085 661 I CA 1.362 62.645 61.300 -0.027 0.000 1.347 661 I CB -1.416 36.559 38.000 -0.043 0.000 1.044 661 I HN 0.016 nan 8.210 nan 0.000 0.408 662 G N 0.411 109.203 108.800 -0.013 0.000 2.513 662 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 662 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 662 G C 1.511 176.431 174.900 0.033 0.000 1.160 662 G CA 0.471 45.577 45.100 0.010 0.000 0.767 662 G HN 0.358 nan 8.290 nan 0.000 0.571 663 Q N 0.084 119.907 119.800 0.038 0.000 2.135 663 Q HA -0.043 4.297 4.340 -0.000 0.000 0.204 663 Q C 2.745 178.763 176.000 0.030 0.000 0.981 663 Q CA 0.950 56.783 55.803 0.049 0.000 0.856 663 Q CB -0.240 28.518 28.738 0.033 0.000 0.902 663 Q HN 0.622 nan 8.270 nan 0.000 0.425 664 I N 0.705 121.265 120.570 -0.016 0.000 2.162 664 I HA -0.252 3.918 4.170 -0.000 0.000 0.238 664 I C 2.231 178.374 176.117 0.044 0.000 1.076 664 I CA 1.043 62.314 61.300 -0.049 0.000 1.353 664 I CB -0.346 37.596 38.000 -0.098 0.000 1.063 664 I HN 0.186 nan 8.210 nan 0.000 0.408 665 E N 0.957 121.144 120.200 -0.021 0.000 2.086 665 E HA -0.233 4.117 4.350 -0.000 0.000 0.200 665 E C 2.257 179.011 176.600 0.256 0.000 1.012 665 E CA 1.523 57.923 56.400 0.000 0.000 0.812 665 E CB -0.493 29.061 29.700 -0.243 0.000 0.743 665 E HN 0.649 nan 8.360 nan 0.000 0.453 666 G N 1.156 110.050 108.800 0.156 0.000 2.404 666 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 666 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 666 G C 1.747 176.754 174.900 0.179 0.000 1.174 666 G CA 0.893 46.094 45.100 0.168 0.000 0.780 666 G HN 0.354 nan 8.290 nan 0.000 0.537 667 A N 0.125 123.052 122.820 0.178 0.000 1.902 667 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 667 A C 2.202 179.850 177.584 0.107 0.000 1.181 667 A CA 1.793 53.953 52.037 0.206 0.000 0.623 667 A CB -0.807 18.296 19.000 0.171 0.000 0.818 667 A HN 0.500 nan 8.150 nan 0.000 0.443 668 Y N 0.735 121.059 120.300 0.040 0.000 2.114 668 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 668 Y C 2.308 178.175 175.900 -0.055 0.000 1.165 668 Y CA 2.179 60.276 58.100 -0.004 0.000 1.148 668 Y CB -0.446 38.090 38.460 0.128 0.000 0.972 668 Y HN 0.065 nan 8.280 nan 0.000 0.504 669 V N 0.614 120.536 119.914 0.014 0.000 2.343 669 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 669 V C 2.409 178.408 176.094 -0.158 0.000 1.051 669 V CA 2.283 64.522 62.300 -0.102 0.000 1.036 669 V CB -0.785 31.072 31.823 0.057 0.000 0.654 669 V HN 0.491 nan 8.190 nan 0.000 0.451 670 Q N -0.049 119.720 119.800 -0.051 0.000 2.124 670 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 670 Q C 2.218 178.152 176.000 -0.110 0.000 0.977 670 Q CA 1.849 57.675 55.803 0.040 0.000 0.850 670 Q CB -0.399 28.479 28.738 0.233 0.000 0.901 670 Q HN 0.673 nan 8.270 nan 0.000 0.429 671 G N -0.180 108.248 108.800 -0.619 0.000 2.403 671 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 671 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 671 G C 1.382 175.968 174.900 -0.523 0.000 1.154 671 G CA 0.663 45.061 45.100 -1.171 0.000 0.784 671 G HN 0.459 nan 8.290 nan 0.000 0.538 672 A N 0.964 123.453 122.820 -0.551 0.000 1.897 672 A HA 0.224 4.544 4.320 -0.000 0.000 0.215 672 A C 2.698 180.134 177.584 -0.247 0.000 1.181 672 A CA 1.898 53.676 52.037 -0.432 0.000 0.620 672 A CB -1.068 17.588 19.000 -0.573 0.000 0.821 672 A HN 0.484 nan 8.150 nan 0.000 0.443 673 G N -1.027 107.651 108.800 -0.204 0.000 2.476 673 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.218 673 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.218 673 G C 1.363 176.232 174.900 -0.052 0.000 1.164 673 G CA 1.304 46.328 45.100 -0.126 0.000 0.768 673 G HN 0.702 nan 8.290 nan 0.000 0.560 674 W N 1.170 122.342 121.300 -0.213 0.000 2.325 674 W HA -0.001 4.659 4.660 -0.000 0.000 0.299 674 W C 1.709 178.126 176.519 -0.170 0.000 1.215 674 W CA 1.231 58.477 57.345 -0.164 0.000 1.244 674 W CB -0.311 29.063 29.460 -0.144 0.000 1.140 674 W HN 0.141 nan 8.180 nan 0.000 0.523 675 L N 0.602 121.624 121.223 -0.336 0.000 2.769 675 L HA 0.184 4.524 4.340 -0.000 0.000 0.240 675 L C 1.680 178.424 176.870 -0.209 0.000 1.163 675 L CA 0.758 55.289 54.840 -0.515 0.000 0.962 675 L CB -0.500 41.191 42.059 -0.615 0.000 1.258 675 L HN 0.040 nan 8.230 nan 0.000 0.513 676 T N -5.867 108.591 114.554 -0.160 0.000 3.426 676 T HA -0.021 4.329 4.350 -0.000 0.000 0.195 676 T C 1.594 176.223 174.700 -0.118 0.000 0.963 676 T CA 0.754 62.792 62.100 -0.103 0.000 1.154 676 T CB -0.276 68.534 68.868 -0.097 0.000 1.377 676 T HN 0.067 nan 8.240 nan 0.000 0.342 677 T N 0.091 114.558 114.554 -0.146 0.000 3.035 677 T HA 0.235 4.585 4.350 -0.000 0.000 0.259 677 T C 0.625 175.175 174.700 -0.250 0.000 1.078 677 T CA 0.058 62.053 62.100 -0.173 0.000 1.132 677 T CB -0.580 68.182 68.868 -0.178 0.000 0.900 677 T HN 0.531 nan 8.240 nan 0.000 0.480 678 E N 2.114 122.142 120.200 -0.287 0.000 2.220 678 E HA 0.274 4.624 4.350 -0.000 0.000 0.272 678 E C -0.396 176.080 176.600 -0.206 0.000 1.099 678 E CA 0.056 56.180 56.400 -0.460 0.000 0.907 678 E CB 0.507 30.010 29.700 -0.329 0.000 1.022 678 E HN 0.557 nan 8.360 nan 0.000 0.428 679 E N 4.315 124.405 120.200 -0.183 0.000 2.263 679 E HA 0.250 4.600 4.350 -0.000 0.000 0.268 679 E C -1.236 175.440 176.600 0.126 0.000 0.884 679 E CA -0.577 55.829 56.400 0.010 0.000 0.766 679 E CB 1.056 30.735 29.700 -0.034 0.000 1.196 679 E HN 0.380 nan 8.360 nan 0.000 0.416 680 L N 3.826 125.116 121.223 0.111 0.000 2.312 680 L HA 0.510 4.849 4.340 -0.000 0.000 0.281 680 L C -0.654 176.084 176.870 -0.221 0.000 1.070 680 L CA -0.868 53.907 54.840 -0.109 0.000 0.805 680 L CB 1.495 43.390 42.059 -0.274 0.000 1.174 680 L HN 0.342 nan 8.230 nan 0.000 0.434 681 V N 1.555 121.259 119.914 -0.349 0.000 2.588 681 V HA 0.437 4.557 4.120 -0.000 0.000 0.304 681 V C -0.714 175.174 176.094 -0.344 0.000 1.042 681 V CA -0.708 61.471 62.300 -0.203 0.000 0.877 681 V CB 2.027 33.818 31.823 -0.053 0.000 0.996 681 V HN 0.604 nan 8.190 nan 0.000 0.425 682 W N 2.504 123.837 121.300 0.056 0.000 2.627 682 W HA 0.467 5.127 4.660 -0.000 0.000 0.339 682 W C -0.223 176.318 176.519 0.037 0.000 1.058 682 W CA -0.537 56.834 57.345 0.042 0.000 1.223 682 W CB 2.237 31.718 29.460 0.034 0.000 1.389 682 W HN 0.767 nan 8.180 nan 0.000 0.541 683 D N -0.476 120.055 120.400 0.218 0.000 2.466 683 D HA -0.010 4.630 4.640 -0.000 0.000 0.262 683 D C 1.669 178.018 176.300 0.082 0.000 1.177 683 D CA -0.062 54.017 54.000 0.132 0.000 1.035 683 D CB -0.027 40.789 40.800 0.027 0.000 1.105 683 D HN 0.497 nan 8.370 nan 0.000 0.551 684 H N -1.035 118.085 119.070 0.084 0.000 2.460 684 H HA -0.131 4.425 4.556 -0.000 0.000 0.297 684 H C 1.164 176.517 175.328 0.043 0.000 1.103 684 H CA 1.189 57.270 56.048 0.055 0.000 1.292 684 H CB -1.041 28.743 29.762 0.036 0.000 1.376 684 H HN 0.323 nan 8.280 nan 0.000 0.531 685 C N 0.385 119.489 119.300 -0.327 0.000 2.618 685 C HA 0.370 4.830 4.460 -0.000 0.000 0.264 685 C C 1.989 176.937 174.990 -0.070 0.000 1.334 685 C CA 0.488 59.394 59.018 -0.187 0.000 1.731 685 C CB -0.535 27.047 27.740 -0.263 0.000 1.852 685 C HN 0.922 nan 8.230 nan 0.000 0.566 686 G N 1.111 109.916 108.800 0.009 0.000 2.136 686 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.242 686 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.242 686 G C -0.022 175.022 174.900 0.240 0.000 0.989 686 G CA -0.357 44.801 45.100 0.096 0.000 0.682 686 G HN 0.597 nan 8.290 nan 0.000 0.522 687 R N -0.563 120.029 120.500 0.153 0.000 2.340 687 R HA 0.471 4.811 4.340 -0.000 0.000 0.300 687 R C 0.293 176.706 176.300 0.188 0.000 1.069 687 R CA -0.784 55.397 56.100 0.136 0.000 0.984 687 R CB 0.961 31.267 30.300 0.009 0.000 1.003 687 R HN 0.202 nan 8.270 nan 0.000 0.459 688 L N 4.440 125.739 121.223 0.126 0.000 2.385 688 L HA 0.044 4.384 4.340 -0.000 0.000 0.281 688 L C 0.741 177.619 176.870 0.013 0.000 1.106 688 L CA 0.390 55.149 54.840 -0.136 0.000 0.856 688 L CB 0.769 42.737 42.059 -0.151 0.000 1.186 688 L HN 0.697 nan 8.230 nan 0.000 0.453 689 M N 2.120 121.683 119.600 -0.062 0.000 2.492 689 M HA 0.064 4.544 4.480 -0.000 0.000 0.262 689 M C 0.826 177.091 176.300 -0.059 0.000 1.090 689 M CA 0.579 55.885 55.300 0.009 0.000 1.110 689 M CB -1.307 31.290 32.600 -0.006 0.000 1.407 689 M HN 0.673 nan 8.290 nan 0.000 0.470 690 T N -0.910 113.575 114.554 -0.114 0.000 3.254 690 T HA 0.335 4.685 4.350 -0.000 0.000 0.385 690 T C 0.349 174.993 174.700 -0.093 0.000 1.528 690 T CA -0.659 61.373 62.100 -0.113 0.000 1.212 690 T CB -0.579 68.264 68.868 -0.041 0.000 1.145 690 T HN 0.488 nan 8.240 nan 0.000 0.631 691 H N 0.726 119.771 119.070 -0.042 0.000 2.567 691 H HA 0.685 5.241 4.556 -0.000 0.000 0.267 691 H C -0.228 175.109 175.328 0.016 0.000 1.148 691 H CA -0.793 55.231 56.048 -0.040 0.000 1.031 691 H CB -0.025 29.710 29.762 -0.044 0.000 1.691 691 H HN 0.678 nan 8.280 nan 0.000 0.588 692 A N 1.256 124.046 122.820 -0.050 0.000 2.612 692 A HA 0.449 4.769 4.320 -0.000 0.000 0.293 692 A C -2.387 175.294 177.584 0.162 0.000 1.075 692 A CA -1.365 50.714 52.037 0.070 0.000 0.680 692 A CB 1.438 20.441 19.000 0.005 0.000 1.279 692 A HN -0.056 nan 8.150 nan 0.000 0.411 693 P HA -0.148 nan 4.420 nan 0.000 0.220 693 P C 1.564 178.907 177.300 0.071 0.000 1.144 693 P CA 2.098 65.329 63.100 0.219 0.000 0.800 693 P CB 0.262 32.139 31.700 0.295 0.000 0.772 694 S N -1.114 114.617 115.700 0.051 0.000 2.423 694 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 694 S C 1.699 176.287 174.600 -0.020 0.000 1.014 694 S CA 1.949 60.152 58.200 0.005 0.000 0.965 694 S CB -1.004 62.194 63.200 -0.003 0.000 0.785 694 S HN 0.322 nan 8.310 nan 0.000 0.495 695 T N -3.094 111.449 114.554 -0.019 0.000 2.955 695 T HA 0.262 4.612 4.350 -0.000 0.000 0.251 695 T C 0.162 174.874 174.700 0.019 0.000 1.002 695 T CA -0.335 61.748 62.100 -0.029 0.000 0.970 695 T CB -0.332 68.489 68.868 -0.078 0.000 1.091 695 T HN 0.349 nan 8.240 nan 0.000 0.495 696 Y N 2.501 122.753 120.300 -0.080 0.000 2.335 696 Y HA 0.576 5.126 4.550 -0.000 0.000 0.339 696 Y C -0.662 175.158 175.900 -0.133 0.000 0.987 696 Y CA -1.293 56.757 58.100 -0.082 0.000 1.140 696 Y CB 0.940 39.381 38.460 -0.032 0.000 1.173 696 Y HN -0.225 nan 8.280 nan 0.000 0.486 697 K N 8.967 129.051 120.400 -0.527 0.000 2.356 697 K HA 0.236 4.556 4.320 -0.000 0.000 0.243 697 K C -0.188 176.114 176.600 -0.496 0.000 1.072 697 K CA -0.365 55.675 56.287 -0.413 0.000 1.014 697 K CB -0.206 32.133 32.500 -0.269 0.000 1.523 697 K HN 0.838 nan 8.250 nan 0.000 0.455 698 I N -0.631 119.654 120.570 -0.475 0.000 3.060 698 I HA 0.269 4.439 4.170 -0.000 0.000 0.285 698 I C -1.891 174.083 176.117 -0.238 0.000 1.190 698 I CA -1.938 59.149 61.300 -0.356 0.000 1.363 698 I CB -0.022 37.753 38.000 -0.375 0.000 1.396 698 I HN 0.162 nan 8.210 nan 0.000 0.607 699 P HA 0.096 nan 4.420 nan 0.000 0.262 699 P C -0.732 176.513 177.300 -0.091 0.000 1.182 699 P CA 0.162 63.187 63.100 -0.125 0.000 0.761 699 P CB 0.521 32.155 31.700 -0.110 0.000 0.795 700 A N 2.885 125.671 122.820 -0.057 0.000 2.281 700 A HA 0.400 4.720 4.320 -0.000 0.000 0.329 700 A C 0.966 178.589 177.584 0.064 0.000 1.122 700 A CA -0.625 51.417 52.037 0.008 0.000 0.850 700 A CB -0.006 19.001 19.000 0.012 0.000 1.207 700 A HN 0.535 nan 8.150 nan 0.000 0.495 701 F N 1.402 121.346 119.950 -0.011 0.000 2.082 701 F HA -0.342 4.185 4.527 -0.000 0.000 0.298 701 F C 2.745 178.547 175.800 0.003 0.000 1.091 701 F CA 3.150 61.154 58.000 0.007 0.000 1.230 701 F CB 0.076 39.084 39.000 0.013 0.000 0.983 701 F HN 0.596 nan 8.300 nan 0.000 0.485 702 S N -0.967 114.893 115.700 0.267 0.000 2.453 702 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 702 S C 1.512 176.139 174.600 0.045 0.000 1.005 702 S CA 1.110 59.411 58.200 0.167 0.000 0.949 702 S CB -0.552 62.719 63.200 0.118 0.000 0.774 702 S HN 0.423 nan 8.310 nan 0.000 0.510 703 D N 2.356 122.757 120.400 0.002 0.000 2.378 703 D HA -0.049 4.591 4.640 -0.000 0.000 0.222 703 D C 0.856 177.104 176.300 -0.087 0.000 0.980 703 D CA 0.450 54.420 54.000 -0.049 0.000 0.907 703 D CB -0.350 40.409 40.800 -0.068 0.000 0.899 703 D HN 0.742 nan 8.370 nan 0.000 0.527 704 R N 1.401 121.841 120.500 -0.100 0.000 2.570 704 R HA 0.242 4.582 4.340 -0.000 0.000 0.277 704 R C -2.541 173.655 176.300 -0.174 0.000 1.039 704 R CA -1.300 54.710 56.100 -0.150 0.000 1.065 704 R CB -0.662 29.561 30.300 -0.129 0.000 0.964 704 R HN -0.209 nan 8.270 nan 0.000 0.428 705 P HA -0.123 nan 4.420 nan 0.000 0.261 705 P C 0.116 177.331 177.300 -0.142 0.000 1.165 705 P CA 0.229 63.144 63.100 -0.308 0.000 0.759 705 P CB 0.442 31.744 31.700 -0.663 0.000 0.772 706 R N 2.772 123.227 120.500 -0.076 0.000 2.115 706 R HA 0.036 4.376 4.340 -0.000 0.000 0.230 706 R C 0.792 177.099 176.300 0.013 0.000 1.111 706 R CA 1.130 57.219 56.100 -0.018 0.000 0.976 706 R CB -0.200 30.089 30.300 -0.019 0.000 0.870 706 R HN 0.507 nan 8.270 nan 0.000 0.445 707 I N 0.680 121.251 120.570 0.003 0.000 2.410 707 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 707 I C -0.852 175.321 176.117 0.094 0.000 1.009 707 I CA -0.400 60.928 61.300 0.046 0.000 1.111 707 I CB 1.691 39.703 38.000 0.021 0.000 1.262 707 I HN -0.100 nan 8.210 nan 0.000 0.443 708 F N 6.759 126.680 119.950 -0.048 0.000 2.443 708 F HA 0.425 4.952 4.527 -0.000 0.000 0.369 708 F C -0.389 175.368 175.800 -0.072 0.000 1.090 708 F CA -0.940 57.014 58.000 -0.078 0.000 1.129 708 F CB 0.723 39.683 39.000 -0.066 0.000 1.367 708 F HN 0.464 nan 8.300 nan 0.000 0.465 709 N N 5.426 124.242 118.700 0.193 0.000 2.546 709 N HA 0.279 5.018 4.740 -0.000 0.000 0.238 709 N C -0.983 174.508 175.510 -0.033 0.000 0.984 709 N CA -0.161 52.904 53.050 0.025 0.000 0.935 709 N CB 2.236 40.742 38.487 0.032 0.000 1.122 709 N HN 0.175 nan 8.380 nan 0.000 0.510 710 V N 1.085 120.921 119.914 -0.129 0.000 2.417 710 V HA 0.826 4.946 4.120 -0.000 0.000 0.291 710 V C 0.088 176.152 176.094 -0.050 0.000 1.024 710 V CA -0.801 61.431 62.300 -0.114 0.000 0.861 710 V CB 1.261 32.949 31.823 -0.225 0.000 0.985 710 V HN 0.681 nan 8.190 nan 0.000 0.436 711 A N 5.116 127.942 122.820 0.009 0.000 2.479 711 A HA 0.958 5.278 4.320 -0.000 0.000 0.296 711 A C -1.223 176.418 177.584 0.095 0.000 1.121 711 A CA -0.696 51.365 52.037 0.040 0.000 0.743 711 A CB 1.599 20.628 19.000 0.048 0.000 1.323 711 A HN 0.737 nan 8.150 nan 0.000 0.415 712 L N 0.790 122.073 121.223 0.100 0.000 2.334 712 L HA 0.401 4.741 4.340 -0.000 0.000 0.273 712 L C -0.596 176.387 176.870 0.188 0.000 1.013 712 L CA -0.465 54.462 54.840 0.146 0.000 0.816 712 L CB 1.745 43.861 42.059 0.095 0.000 1.278 712 L HN 0.842 nan 8.230 nan 0.000 0.431 713 W N 4.378 125.681 121.300 0.004 0.000 2.318 713 W HA 0.119 4.779 4.660 0.000 0.000 0.362 713 W C -0.409 176.103 176.519 -0.012 0.000 0.978 713 W CA -0.477 56.860 57.345 -0.013 0.000 1.509 713 W CB 0.912 30.352 29.460 -0.033 0.000 1.437 713 W HN 0.488 nan 8.180 nan 0.000 0.361 714 D N 4.656 124.927 120.400 -0.216 0.000 2.359 714 D HA 0.039 4.679 4.640 -0.000 0.000 0.250 714 D C -0.763 175.365 176.300 -0.287 0.000 1.264 714 D CA 0.797 54.690 54.000 -0.177 0.000 0.911 714 D CB 0.533 41.250 40.800 -0.139 0.000 1.056 714 D HN 0.495 nan 8.370 nan 0.000 0.499 715 Q N 4.073 123.777 119.800 -0.160 0.000 2.380 715 Q HA 0.305 4.645 4.340 -0.000 0.000 0.245 715 Q C -2.773 173.220 176.000 -0.013 0.000 0.893 715 Q CA -1.626 54.098 55.803 -0.131 0.000 0.922 715 Q CB 1.793 30.410 28.738 -0.200 0.000 1.432 715 Q HN 0.153 nan 8.270 nan 0.000 0.434 716 P HA -0.047 nan 4.420 nan 0.000 0.266 716 P C -0.698 176.598 177.300 -0.006 0.000 1.193 716 P CA -0.045 63.048 63.100 -0.012 0.000 0.770 716 P CB 0.511 32.201 31.700 -0.015 0.000 0.836 717 N N 2.102 120.775 118.700 -0.044 0.000 2.492 717 N HA 0.010 4.750 4.740 -0.000 0.000 0.260 717 N C 1.134 176.602 175.510 -0.069 0.000 1.215 717 N CA 0.153 53.147 53.050 -0.093 0.000 0.923 717 N CB 0.436 38.765 38.487 -0.262 0.000 1.092 717 N HN 0.217 nan 8.380 nan 0.000 0.448 718 R N 0.969 121.447 120.500 -0.036 0.000 2.152 718 R HA -0.021 4.319 4.340 -0.000 0.000 0.232 718 R C 0.150 176.428 176.300 -0.037 0.000 1.117 718 R CA 0.841 56.932 56.100 -0.015 0.000 0.981 718 R CB 0.112 30.424 30.300 0.021 0.000 0.870 718 R HN 0.611 nan 8.270 nan 0.000 0.451 719 E N 1.051 121.199 120.200 -0.086 0.000 2.318 719 E HA 0.041 4.391 4.350 -0.000 0.000 0.265 719 E C -0.427 176.106 176.600 -0.111 0.000 1.069 719 E CA 0.002 56.350 56.400 -0.087 0.000 0.893 719 E CB 0.841 30.477 29.700 -0.106 0.000 1.076 719 E HN 0.156 nan 8.360 nan 0.000 0.414 720 E N 1.221 121.381 120.200 -0.067 0.000 2.232 720 E HA 0.078 4.427 4.350 -0.000 0.000 0.296 720 E C -0.227 176.312 176.600 -0.102 0.000 1.372 720 E CA -0.194 56.163 56.400 -0.072 0.000 1.527 720 E CB -0.025 29.653 29.700 -0.035 0.000 1.424 720 E HN 0.370 nan 8.360 nan 0.000 0.485 721 T N -1.498 112.962 114.554 -0.157 0.000 2.904 721 T HA 0.208 4.558 4.350 -0.000 0.000 0.290 721 T C 0.536 175.111 174.700 -0.208 0.000 1.018 721 T CA -0.930 61.057 62.100 -0.188 0.000 1.075 721 T CB 1.139 69.860 68.868 -0.245 0.000 0.986 721 T HN 0.122 nan 8.240 nan 0.000 0.523 722 I N 3.014 123.429 120.570 -0.259 0.000 2.919 722 I HA 0.064 4.234 4.170 -0.000 0.000 0.299 722 I C 0.395 176.412 176.117 -0.167 0.000 1.221 722 I CA -0.368 60.738 61.300 -0.323 0.000 1.424 722 I CB -1.247 36.581 38.000 -0.287 0.000 1.358 722 I HN 0.794 nan 8.210 nan 0.000 0.551 723 F N 6.782 126.676 119.950 -0.093 0.000 3.054 723 F HA -0.350 4.177 4.527 -0.000 0.000 0.264 723 F C 1.124 176.878 175.800 -0.076 0.000 0.956 723 F CA 0.755 58.711 58.000 -0.074 0.000 0.882 723 F CB -1.135 37.826 39.000 -0.064 0.000 0.841 723 F HN 0.638 nan 8.300 nan 0.000 0.720 724 R N -1.892 118.612 120.500 0.007 0.000 3.516 724 R HA -0.210 4.130 4.340 -0.000 0.000 0.271 724 R C 0.471 176.751 176.300 -0.033 0.000 1.098 724 R CA 0.939 57.014 56.100 -0.042 0.000 0.732 724 R CB -2.630 27.661 30.300 -0.015 0.000 1.152 724 R HN 0.565 nan 8.270 nan 0.000 0.455 725 S N -0.407 115.282 115.700 -0.018 0.000 2.645 725 S HA 0.613 5.082 4.470 -0.000 0.000 0.266 725 S C 0.266 174.836 174.600 -0.049 0.000 1.258 725 S CA -0.706 57.492 58.200 -0.002 0.000 0.990 725 S CB 2.320 65.539 63.200 0.033 0.000 0.967 725 S HN 0.216 nan 8.310 nan 0.000 0.556 726 K N 0.154 120.576 120.400 0.036 0.000 2.259 726 K HA 0.627 4.947 4.320 -0.000 0.000 0.249 726 K C -0.472 176.246 176.600 0.198 0.000 0.942 726 K CA -0.860 55.518 56.287 0.151 0.000 0.816 726 K CB 2.010 34.654 32.500 0.240 0.000 1.155 726 K HN 0.825 nan 8.250 nan 0.000 0.428 727 A N 1.494 124.482 122.820 0.281 0.000 2.546 727 A HA 0.060 4.380 4.320 -0.000 0.000 0.243 727 A C 0.641 178.280 177.584 0.092 0.000 1.063 727 A CA 0.013 52.126 52.037 0.126 0.000 0.757 727 A CB 0.300 19.335 19.000 0.058 0.000 0.991 727 A HN 0.550 nan 8.150 nan 0.000 0.503 728 V N 3.150 123.095 119.914 0.052 0.000 3.502 728 V HA 0.195 4.315 4.120 -0.000 0.000 0.288 728 V C 1.772 177.851 176.094 -0.025 0.000 1.461 728 V CA 1.349 63.685 62.300 0.060 0.000 1.029 728 V CB -0.070 31.800 31.823 0.079 0.000 0.843 728 V HN 1.070 nan 8.190 nan 0.000 0.438 729 G N 0.108 108.872 108.800 -0.060 0.000 2.453 729 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.215 729 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.215 729 G C 1.269 176.093 174.900 -0.127 0.000 1.201 729 G CA 1.302 46.358 45.100 -0.073 0.000 0.784 729 G HN 0.567 nan 8.290 nan 0.000 0.545 730 E N 0.438 120.469 120.200 -0.280 0.000 2.099 730 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 730 E C -0.058 176.212 176.600 -0.551 0.000 0.962 730 E CA 0.297 56.426 56.400 -0.451 0.000 0.826 730 E CB -0.067 29.225 29.700 -0.680 0.000 0.788 730 E HN 0.268 nan 8.360 nan 0.000 0.461 731 P HA -0.172 nan 4.420 nan 0.000 0.216 731 P C -1.683 175.550 177.300 -0.113 0.000 1.157 731 P CA 2.051 64.886 63.100 -0.443 0.000 0.880 731 P CB -1.011 30.640 31.700 -0.081 0.000 0.791 732 P HA -0.100 nan 4.420 nan 0.000 0.239 732 P C 1.156 178.455 177.300 -0.001 0.000 1.184 732 P CA 0.541 63.507 63.100 -0.223 0.000 0.760 732 P CB -0.683 30.717 31.700 -0.501 0.000 0.884 733 F N 1.063 120.941 119.950 -0.120 0.000 2.234 733 F HA -0.087 4.440 4.527 -0.000 0.000 0.299 733 F C 1.718 177.509 175.800 -0.014 0.000 1.087 733 F CA 1.070 59.022 58.000 -0.079 0.000 1.340 733 F CB -0.524 38.394 39.000 -0.137 0.000 1.031 733 F HN -0.265 nan 8.300 nan 0.000 0.500 734 L N 0.228 121.516 121.223 0.108 0.000 2.362 734 L HA -0.143 4.197 4.340 -0.000 0.000 0.219 734 L C 2.061 178.970 176.870 0.064 0.000 1.134 734 L CA 0.906 55.810 54.840 0.106 0.000 0.807 734 L CB -0.857 41.318 42.059 0.193 0.000 0.927 734 L HN 0.199 nan 8.230 nan 0.000 0.447 735 L N -0.717 120.551 121.223 0.074 0.000 2.261 735 L HA -0.146 4.194 4.340 -0.000 0.000 0.216 735 L C 2.327 179.304 176.870 0.178 0.000 1.114 735 L CA 1.123 56.062 54.840 0.166 0.000 0.777 735 L CB -1.097 41.111 42.059 0.248 0.000 0.910 735 L HN 0.442 nan 8.230 nan 0.000 0.440 736 G N -0.170 108.583 108.800 -0.078 0.000 2.679 736 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.212 736 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.212 736 G C 1.529 176.362 174.900 -0.111 0.000 1.137 736 G CA -0.006 44.905 45.100 -0.315 0.000 0.787 736 G HN 0.310 nan 8.290 nan 0.000 0.534 737 I N 1.743 122.317 120.570 0.007 0.000 2.394 737 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 737 I C 3.039 179.238 176.117 0.138 0.000 1.136 737 I CA 1.222 62.567 61.300 0.075 0.000 1.425 737 I CB -0.084 37.981 38.000 0.109 0.000 1.079 737 I HN 0.287 nan 8.210 nan 0.000 0.425 738 S N 1.373 117.154 115.700 0.134 0.000 2.400 738 S HA -0.190 4.280 4.470 -0.000 0.000 0.232 738 S C 2.217 176.889 174.600 0.120 0.000 1.025 738 S CA 0.962 59.243 58.200 0.136 0.000 0.993 738 S CB -0.574 62.709 63.200 0.137 0.000 0.808 738 S HN 0.426 nan 8.310 nan 0.000 0.478 739 A N 1.241 124.126 122.820 0.108 0.000 1.898 739 A HA 0.090 4.410 4.320 -0.000 0.000 0.216 739 A C 1.936 179.554 177.584 0.056 0.000 1.181 739 A CA 1.360 53.432 52.037 0.060 0.000 0.620 739 A CB -1.036 17.946 19.000 -0.031 0.000 0.819 739 A HN 0.557 nan 8.150 nan 0.000 0.442 740 F N 0.246 120.151 119.950 -0.075 0.000 2.102 740 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 740 F C 1.791 177.584 175.800 -0.012 0.000 1.105 740 F CA 1.425 59.379 58.000 -0.077 0.000 1.239 740 F CB -0.305 38.621 39.000 -0.123 0.000 0.991 740 F HN 0.134 nan 8.300 nan 0.000 0.474 741 L N 0.581 121.796 121.223 -0.013 0.000 2.017 741 L HA -0.101 4.238 4.340 -0.000 0.000 0.208 741 L C 2.774 179.649 176.870 0.008 0.000 1.073 741 L CA 1.973 56.793 54.840 -0.034 0.000 0.745 741 L CB -1.885 40.226 42.059 0.087 0.000 0.894 741 L HN 0.242 nan 8.230 nan 0.000 0.432 742 A N -1.081 121.748 122.820 0.015 0.000 1.908 742 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 742 A C 2.241 179.785 177.584 -0.067 0.000 1.181 742 A CA 1.619 53.658 52.037 0.004 0.000 0.627 742 A CB -0.849 18.164 19.000 0.021 0.000 0.818 742 A HN 0.322 nan 8.150 nan 0.000 0.445 743 L N -0.378 120.784 121.223 -0.103 0.000 2.079 743 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 743 L C 2.376 179.120 176.870 -0.210 0.000 1.081 743 L CA 2.679 57.431 54.840 -0.147 0.000 0.752 743 L CB -1.051 40.916 42.059 -0.152 0.000 0.896 743 L HN 0.762 nan 8.230 nan 0.000 0.433 744 H N -1.887 116.961 119.070 -0.369 0.000 2.428 744 H HA -0.126 4.430 4.556 -0.000 0.000 0.296 744 H C 1.947 177.142 175.328 -0.222 0.000 1.062 744 H CA 1.801 57.618 56.048 -0.385 0.000 1.350 744 H CB -0.073 29.371 29.762 -0.529 0.000 1.403 744 H HN 0.431 nan 8.280 nan 0.000 0.533 745 D N 0.105 120.263 120.400 -0.404 0.000 2.097 745 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 745 D C 2.315 178.467 176.300 -0.246 0.000 0.984 745 D CA 1.597 55.404 54.000 -0.322 0.000 0.826 745 D CB -0.454 40.301 40.800 -0.075 0.000 0.973 745 D HN 0.503 nan 8.370 nan 0.000 0.460 746 A N -0.360 122.356 122.820 -0.173 0.000 1.948 746 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 746 A C 2.551 180.047 177.584 -0.147 0.000 1.177 746 A CA 1.607 53.573 52.037 -0.118 0.000 0.636 746 A CB -1.112 17.836 19.000 -0.086 0.000 0.815 746 A HN 0.513 nan 8.150 nan 0.000 0.449 747 C N -1.384 117.777 119.300 -0.233 0.000 2.462 747 C HA 0.117 4.577 4.460 -0.000 0.000 0.278 747 C C 3.284 178.139 174.990 -0.225 0.000 1.253 747 C CA 0.766 59.648 59.018 -0.226 0.000 1.713 747 C CB -1.236 26.341 27.740 -0.271 0.000 2.049 747 C HN 0.719 nan 8.230 nan 0.000 0.477 748 A N 0.175 122.790 122.820 -0.343 0.000 2.125 748 A HA 0.108 4.428 4.320 -0.000 0.000 0.219 748 A C 2.173 179.688 177.584 -0.116 0.000 1.156 748 A CA 1.716 53.618 52.037 -0.225 0.000 0.671 748 A CB -0.549 18.290 19.000 -0.268 0.000 0.794 748 A HN 0.619 nan 8.150 nan 0.000 0.459 749 A N -1.618 121.135 122.820 -0.111 0.000 2.119 749 A HA -0.037 4.282 4.320 -0.000 0.000 0.217 749 A C 1.976 179.537 177.584 -0.039 0.000 1.153 749 A CA 1.361 53.364 52.037 -0.057 0.000 0.692 749 A CB -0.851 18.128 19.000 -0.035 0.000 0.799 749 A HN 0.583 nan 8.150 nan 0.000 0.458 750 C N -1.492 117.781 119.300 -0.046 0.000 2.533 750 C HA 0.487 4.946 4.460 -0.000 0.000 0.272 750 C C 1.491 176.473 174.990 -0.013 0.000 1.371 750 C CA 0.280 59.281 59.018 -0.028 0.000 1.758 750 C CB -0.925 26.795 27.740 -0.033 0.000 1.972 750 C HN 0.720 nan 8.230 nan 0.000 0.522 751 G N -0.169 108.626 108.800 -0.008 0.000 2.608 751 G HA2 0.452 4.412 3.960 -0.000 0.000 0.291 751 G HA3 0.452 4.412 3.960 -0.000 0.000 0.291 751 G C -2.551 172.338 174.900 -0.019 0.000 1.425 751 G CA -0.186 44.921 45.100 0.012 0.000 0.787 751 G HN -0.159 nan 8.290 nan 0.000 0.484 752 P HA 0.129 nan 4.420 nan 0.000 0.249 752 P C -0.174 176.982 177.300 -0.240 0.000 1.229 752 P CA 0.345 63.330 63.100 -0.192 0.000 0.788 752 P CB 0.122 31.645 31.700 -0.295 0.000 1.072 753 H N -0.910 118.201 119.070 0.069 0.000 2.525 753 H HA 0.104 4.660 4.556 -0.000 0.000 0.340 753 H C -0.157 175.276 175.328 0.175 0.000 1.168 753 H CA -0.737 55.382 56.048 0.119 0.000 1.247 753 H CB 1.088 30.901 29.762 0.085 0.000 1.568 753 H HN 0.169 nan 8.280 nan 0.000 0.536 754 W N 4.850 126.256 121.300 0.177 0.000 2.469 754 W HA 0.045 4.705 4.660 -0.000 0.000 0.321 754 W C -2.164 174.412 176.519 0.096 0.000 1.415 754 W CA -1.597 55.825 57.345 0.128 0.000 1.308 754 W CB 0.496 30.030 29.460 0.124 0.000 1.368 754 W HN 0.500 nan 8.180 nan 0.000 0.546 755 P HA -0.160 nan 4.420 nan 0.000 0.223 755 P C 0.128 177.086 177.300 -0.569 0.000 1.151 755 P CA 1.183 64.031 63.100 -0.420 0.000 0.787 755 P CB 0.041 31.523 31.700 -0.363 0.000 0.788 756 D N -1.295 118.393 120.400 -1.187 0.000 2.704 756 D HA -0.179 4.461 4.640 -0.000 0.000 0.232 756 D C -0.352 175.759 176.300 -0.313 0.000 1.183 756 D CA 0.211 53.751 54.000 -0.766 0.000 0.647 756 D CB -1.163 39.472 40.800 -0.276 0.000 1.013 756 D HN 0.013 nan 8.370 nan 0.000 0.415 757 L N 1.031 122.060 121.223 -0.323 0.000 2.490 757 L HA 0.133 4.473 4.340 -0.000 0.000 0.274 757 L C 0.595 177.566 176.870 0.169 0.000 1.201 757 L CA 0.721 55.497 54.840 -0.107 0.000 0.869 757 L CB 0.719 42.641 42.059 -0.229 0.000 1.123 757 L HN 0.099 nan 8.230 nan 0.000 0.484 758 Q N 3.324 123.266 119.800 0.237 0.000 2.252 758 Q HA 0.723 5.063 4.340 -0.000 0.000 0.256 758 Q C -0.847 175.336 176.000 0.305 0.000 1.020 758 Q CA -0.647 55.350 55.803 0.324 0.000 0.913 758 Q CB 1.529 30.368 28.738 0.169 0.000 1.286 758 Q HN 0.785 nan 8.270 nan 0.000 0.480 759 A N 1.900 124.753 122.820 0.055 0.000 2.317 759 A HA 0.678 4.998 4.320 -0.000 0.000 0.327 759 A C -2.294 175.194 177.584 -0.160 0.000 1.178 759 A CA -1.493 50.410 52.037 -0.224 0.000 0.817 759 A CB 0.550 19.184 19.000 -0.611 0.000 1.189 759 A HN 0.382 nan 8.150 nan 0.000 0.489 760 P HA 0.308 nan 4.420 nan 0.000 0.279 760 P C -0.265 177.019 177.300 -0.027 0.000 1.239 760 P CA -0.082 62.916 63.100 -0.170 0.000 0.789 760 P CB 1.309 32.915 31.700 -0.156 0.000 0.933 761 A N 2.919 125.776 122.820 0.061 0.000 2.981 761 A HA 0.326 4.646 4.320 -0.000 0.000 0.280 761 A C 0.992 178.578 177.584 0.004 0.000 1.743 761 A CA -0.114 51.979 52.037 0.093 0.000 1.430 761 A CB -1.394 17.707 19.000 0.169 0.000 1.085 761 A HN 0.602 nan 8.150 nan 0.000 0.597 762 T N -0.473 114.070 114.554 -0.018 0.000 2.816 762 T HA 0.392 4.742 4.350 -0.000 0.000 0.282 762 T C -1.709 172.971 174.700 -0.033 0.000 0.993 762 T CA -1.542 60.534 62.100 -0.040 0.000 0.994 762 T CB 0.598 69.440 68.868 -0.044 0.000 1.025 762 T HN 0.167 nan 8.240 nan 0.000 0.529 763 P HA -0.141 nan 4.420 nan 0.000 0.217 763 P C 1.474 178.758 177.300 -0.027 0.000 1.151 763 P CA 1.223 64.303 63.100 -0.034 0.000 0.849 763 P CB 0.080 31.760 31.700 -0.034 0.000 0.787 764 E N -0.553 119.633 120.200 -0.024 0.000 2.031 764 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 764 E C 2.009 178.599 176.600 -0.015 0.000 0.994 764 E CA 1.279 57.669 56.400 -0.018 0.000 0.800 764 E CB -0.561 29.132 29.700 -0.013 0.000 0.752 764 E HN 0.055 nan 8.360 nan 0.000 0.447 765 A N 0.467 123.281 122.820 -0.010 0.000 1.940 765 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 765 A C 2.401 179.974 177.584 -0.019 0.000 1.176 765 A CA 1.636 53.672 52.037 -0.001 0.000 0.631 765 A CB -0.742 18.270 19.000 0.021 0.000 0.814 765 A HN 0.237 nan 8.150 nan 0.000 0.446 766 V N -0.464 119.432 119.914 -0.030 0.000 2.295 766 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 766 V C 2.466 178.529 176.094 -0.053 0.000 1.049 766 V CA 1.960 64.229 62.300 -0.052 0.000 1.024 766 V CB -0.814 30.977 31.823 -0.053 0.000 0.648 766 V HN 0.568 nan 8.190 nan 0.000 0.447 767 L N 0.709 121.909 121.223 -0.039 0.000 2.079 767 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 767 L C 2.451 179.300 176.870 -0.036 0.000 1.081 767 L CA 2.221 57.040 54.840 -0.035 0.000 0.752 767 L CB -1.017 41.026 42.059 -0.026 0.000 0.896 767 L HN 0.250 nan 8.230 nan 0.000 0.433 768 A N -0.594 122.207 122.820 -0.033 0.000 1.883 768 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 768 A C 2.451 180.004 177.584 -0.052 0.000 1.186 768 A CA 2.070 54.087 52.037 -0.032 0.000 0.624 768 A CB -1.201 17.787 19.000 -0.020 0.000 0.822 768 A HN 0.537 nan 8.150 nan 0.000 0.444 769 A N -0.778 121.999 122.820 -0.071 0.000 1.930 769 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 769 A C 2.232 179.752 177.584 -0.108 0.000 1.175 769 A CA 1.634 53.603 52.037 -0.114 0.000 0.627 769 A CB -0.892 18.018 19.000 -0.149 0.000 0.815 769 A HN 0.372 nan 8.150 nan 0.000 0.443 770 V N 0.587 120.450 119.914 -0.084 0.000 2.255 770 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 770 V C 2.657 178.724 176.094 -0.045 0.000 1.051 770 V CA 2.312 64.572 62.300 -0.066 0.000 1.018 770 V CB -0.818 30.974 31.823 -0.051 0.000 0.641 770 V HN 0.544 nan 8.190 nan 0.000 0.445 771 R N -0.415 120.061 120.500 -0.040 0.000 2.152 771 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 771 R C 2.432 178.712 176.300 -0.033 0.000 1.117 771 R CA 1.090 57.172 56.100 -0.030 0.000 0.981 771 R CB -0.402 29.881 30.300 -0.028 0.000 0.870 771 R HN 0.463 nan 8.270 nan 0.000 0.451 772 R N 0.492 120.965 120.500 -0.045 0.000 2.092 772 R HA -0.043 4.297 4.340 -0.000 0.000 0.231 772 R C 2.293 178.588 176.300 -0.009 0.000 1.119 772 R CA 1.311 57.382 56.100 -0.048 0.000 0.970 772 R CB -0.162 30.097 30.300 -0.067 0.000 0.864 772 R HN 0.196 nan 8.270 nan 0.000 0.440 773 A N 1.059 123.880 122.820 0.001 0.000 1.855 773 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 773 A C 1.724 179.390 177.584 0.137 0.000 1.191 773 A CA 1.239 53.319 52.037 0.071 0.000 0.613 773 A CB -0.388 18.604 19.000 -0.014 0.000 0.829 773 A HN 0.315 nan 8.150 nan 0.000 0.442 774 E N -1.084 119.153 120.200 0.062 0.000 2.455 774 E HA 0.053 4.403 4.350 -0.000 0.000 0.202 774 E C 1.094 177.747 176.600 0.088 0.000 1.045 774 E CA 0.329 56.769 56.400 0.068 0.000 0.872 774 E CB -0.370 29.341 29.700 0.019 0.000 0.792 774 E HN 0.810 nan 8.360 nan 0.000 0.542 775 G N 1.998 110.826 108.800 0.047 0.000 2.198 775 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 775 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 775 G C -0.162 174.696 174.900 -0.070 0.000 1.025 775 G CA 0.169 45.209 45.100 -0.099 0.000 0.769 775 G HN 0.190 nan 8.290 nan 0.000 0.507 776 R N 0.019 120.495 120.500 -0.040 0.000 2.229 776 R HA 0.679 5.019 4.340 -0.000 0.000 0.332 776 R C 1.034 177.311 176.300 -0.039 0.000 0.989 776 R CA -0.118 55.962 56.100 -0.033 0.000 0.842 776 R CB 1.254 31.542 30.300 -0.019 0.000 1.119 776 R HN 1.447 nan 8.270 nan 0.000 0.456 777 A N 0.000 122.797 122.820 -0.038 0.000 2.254 777 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 777 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 777 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486