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 3a21_1_A DATA FIRST_RESID 45 DATA SEQUENCE AVTTRQITVP SAPMGWASWN SFAAKIDYSV IKKQVDAFVA AGLPAAGYTY DATA SEQUENCE INIDEGWWQG TRDSAGNITV DTAEWPGGMS AITAYIHSKG LKAGIYTDAG DATA SEQUENCE KDGcGYYYPT GRPAAPGSGS EGHYDQDMLQ FSTWGFDFVK VDWcGGDAEG DATA SEQUENCE LDAATTYKSI SDAVGRAAAT TGRPLTLSIC NWGYQNPWNW AAGQAPLWRT DATA SEQUENCE STDIIYYGNQ PSMTSLLSNF DQTLHPTAQH TGYYNDPDML MVGMDGFTAA DATA SEQUENCE QNRTHMNLWA ISGAPLLAGN DLTTMTSETA GILKNPEVIA VDQDSRGLQG DATA SEQUENCE VKVAEDTTGL QAYGKVLSGT GNRAVVLLNR TSAAHDITVR WSDLGLTNAS DATA SEQUENCE ATVRDLWARQ NVGTSATGYT ASVPAGGSVM LTVTGGTEAA GGAYAATSTG DATA SEQUENCE RYTGVTAAST GLNVVDVAYT NNTSSARTAT LQVNGQTATT VSFPPTGASA DATA SEQUENCE GTVSVEVSLS KGSANTLALS GGPATEGITV RPLPGTNGAL VTGKQSGRcA DATA SEQUENCE DIYNNTITNG TQAELWDcNG GPNQSWTYTS RKELVLYGNK cLDAYNLGTT DATA SEQUENCE NGTKVVIWDc NGQANQKWNI NSDGTITNVN AGLcLDAYNA ATANGTSLVL DATA SEQUENCE WScGTGDNQK WTVT 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 45 A HA 0.000 nan 4.320 nan 0.000 0.244 45 A C 0.000 177.579 177.584 -0.008 0.000 1.274 45 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 45 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 46 V N 2.177 122.086 119.914 -0.009 0.000 2.368 46 V HA 0.458 4.577 4.120 -0.003 0.000 0.266 46 V C 1.220 177.310 176.094 -0.008 0.000 1.045 46 V CA 0.843 63.138 62.300 -0.008 0.000 0.899 46 V CB 0.289 32.106 31.823 -0.010 0.000 1.006 46 V HN 1.302 nan 8.190 nan 0.000 0.470 47 T N -0.165 114.385 114.554 -0.007 0.000 2.954 47 T HA 0.142 4.490 4.350 -0.003 0.000 0.252 47 T C 0.658 175.353 174.700 -0.008 0.000 0.983 47 T CA 0.017 62.113 62.100 -0.007 0.000 0.941 47 T CB 0.485 69.350 68.868 -0.005 0.000 1.141 47 T HN 0.506 nan 8.240 nan 0.000 0.500 48 T N 3.261 117.811 114.554 -0.007 0.000 2.812 48 T HA 0.531 4.880 4.350 -0.003 0.000 0.282 48 T C -0.344 174.349 174.700 -0.011 0.000 0.990 48 T CA -0.916 61.177 62.100 -0.011 0.000 0.960 48 T CB 1.984 70.849 68.868 -0.005 0.000 0.948 48 T HN 0.525 nan 8.240 nan 0.000 0.438 49 R N 2.915 123.403 120.500 -0.020 0.000 2.543 49 R HA 0.279 4.617 4.340 -0.003 0.000 0.277 49 R C -0.490 175.806 176.300 -0.006 0.000 1.074 49 R CA -0.456 55.635 56.100 -0.015 0.000 1.076 49 R CB 0.538 30.826 30.300 -0.020 0.000 0.993 49 R HN 0.541 nan 8.270 nan 0.000 0.459 50 Q N 2.763 122.566 119.800 0.004 0.000 2.288 50 Q HA 0.213 4.551 4.340 -0.003 0.000 0.258 50 Q C -0.276 175.739 176.000 0.025 0.000 0.957 50 Q CA -0.469 55.346 55.803 0.020 0.000 0.919 50 Q CB 1.240 29.987 28.738 0.014 0.000 1.185 50 Q HN 0.464 nan 8.270 nan 0.000 0.408 51 I N 2.746 123.347 120.570 0.053 0.000 2.371 51 I HA 0.081 4.249 4.170 -0.003 0.000 0.290 51 I C 0.566 176.716 176.117 0.055 0.000 1.028 51 I CA -0.068 61.271 61.300 0.065 0.000 1.345 51 I CB 0.980 39.063 38.000 0.138 0.000 1.407 51 I HN 0.537 nan 8.210 nan 0.000 0.501 52 T N 6.657 121.234 114.554 0.039 0.000 2.888 52 T HA 0.296 4.644 4.350 -0.003 0.000 0.301 52 T C 0.354 175.071 174.700 0.029 0.000 1.001 52 T CA -0.291 61.826 62.100 0.029 0.000 1.147 52 T CB 0.746 69.627 68.868 0.022 0.000 0.931 52 T HN 0.497 nan 8.240 nan 0.000 0.541 53 V N 2.364 122.288 119.914 0.017 0.000 2.850 53 V HA 0.709 4.827 4.120 -0.003 0.000 0.315 53 V C -2.673 173.436 176.094 0.025 0.000 1.064 53 V CA -2.968 59.330 62.300 -0.004 0.000 0.979 53 V CB 0.824 32.614 31.823 -0.055 0.000 1.039 53 V HN 0.531 nan 8.190 nan 0.000 0.452 54 P HA 0.264 nan 4.420 nan 0.000 0.268 54 P C -0.256 177.143 177.300 0.165 0.000 1.205 54 P CA 0.356 63.498 63.100 0.070 0.000 0.771 54 P CB 0.454 32.186 31.700 0.054 0.000 0.858 55 S N 0.833 116.591 115.700 0.096 0.000 2.669 55 S HA 0.580 5.048 4.470 -0.003 0.000 0.270 55 S C 0.152 174.627 174.600 -0.209 0.000 1.225 55 S CA -0.611 57.582 58.200 -0.012 0.000 0.991 55 S CB 0.840 64.004 63.200 -0.061 0.000 0.987 55 S HN 0.581 nan 8.310 nan 0.000 0.552 56 A N 1.970 124.343 122.820 -0.745 0.000 2.425 56 A HA 0.486 4.804 4.320 -0.003 0.000 0.242 56 A C -2.500 174.952 177.584 -0.219 0.000 1.077 56 A CA -1.220 50.394 52.037 -0.705 0.000 0.781 56 A CB -0.780 17.645 19.000 -0.958 0.000 1.020 56 A HN 0.471 nan 8.150 nan 0.000 0.494 57 P HA 0.180 nan 4.420 nan 0.000 0.266 57 P C -0.555 176.789 177.300 0.074 0.000 1.195 57 P CA 0.668 63.828 63.100 0.101 0.000 0.768 57 P CB 0.367 32.051 31.700 -0.027 0.000 0.838 58 M N 1.939 121.642 119.600 0.172 0.000 2.393 58 M HA 0.692 5.170 4.480 -0.003 0.000 0.316 58 M C 0.472 176.983 176.300 0.351 0.000 1.087 58 M CA -0.001 55.351 55.300 0.087 0.000 0.937 58 M CB 2.629 35.074 32.600 -0.258 0.000 1.668 58 M HN 0.589 nan 8.290 nan 0.000 0.438 59 G N 1.404 110.522 108.800 0.531 0.000 2.441 59 G HA2 0.321 4.280 3.960 -0.003 0.000 0.225 59 G HA3 0.321 4.280 3.960 -0.003 0.000 0.225 59 G C -2.943 172.367 174.900 0.685 0.000 1.200 59 G CA -0.691 44.817 45.100 0.681 0.000 0.947 59 G HN 0.753 nan 8.290 nan 0.000 0.484 60 W N 0.692 122.194 121.300 0.337 0.000 3.022 60 W HA 0.790 5.448 4.660 -0.003 0.000 0.335 60 W C -0.601 175.977 176.519 0.098 0.000 1.133 60 W CA -0.139 57.343 57.345 0.229 0.000 1.219 60 W CB 1.904 31.559 29.460 0.325 0.000 1.409 60 W HN 1.151 nan 8.180 nan 0.000 0.507 61 A N 2.387 124.679 122.820 -0.879 0.000 2.435 61 A HA 0.509 4.827 4.320 -0.003 0.000 0.304 61 A C 0.424 177.170 177.584 -1.398 0.000 1.064 61 A CA -0.035 51.474 52.037 -0.880 0.000 0.727 61 A CB 1.606 20.386 19.000 -0.366 0.000 1.284 61 A HN 1.043 nan 8.150 nan 0.000 0.415 62 S N 0.572 115.738 115.700 -0.889 0.000 2.522 62 S HA -0.101 4.367 4.470 -0.003 0.000 0.227 62 S C 1.365 175.962 174.600 -0.006 0.000 0.986 62 S CA 0.734 58.659 58.200 -0.458 0.000 0.929 62 S CB -0.324 62.870 63.200 -0.011 0.000 0.769 62 S HN 0.854 nan 8.310 nan 0.000 0.529 63 W N 2.787 123.954 121.300 -0.221 0.000 2.378 63 W HA -0.097 4.561 4.660 -0.003 0.000 0.313 63 W C 1.291 177.756 176.519 -0.089 0.000 1.197 63 W CA 1.214 58.479 57.345 -0.133 0.000 1.304 63 W CB -0.517 28.846 29.460 -0.163 0.000 1.148 63 W HN 0.314 nan 8.180 nan 0.000 0.494 64 N N 0.300 118.921 118.700 -0.131 0.000 2.149 64 N HA -0.140 4.598 4.740 -0.003 0.000 0.188 64 N C 1.739 177.102 175.510 -0.245 0.000 1.019 64 N CA 2.043 54.976 53.050 -0.196 0.000 0.857 64 N CB -0.684 37.748 38.487 -0.091 0.000 0.997 64 N HN -0.015 nan 8.380 nan 0.000 0.426 65 S N -1.286 114.277 115.700 -0.228 0.000 2.492 65 S HA 0.250 4.718 4.470 -0.003 0.000 0.218 65 S C 0.736 174.955 174.600 -0.634 0.000 1.016 65 S CA -0.026 57.930 58.200 -0.407 0.000 0.916 65 S CB 0.323 63.238 63.200 -0.476 0.000 0.791 65 S HN 0.241 nan 8.310 nan 0.000 0.513 66 F N 1.013 120.868 119.950 -0.159 0.000 2.784 66 F HA 0.554 5.079 4.527 -0.003 0.000 0.323 66 F C 1.337 176.811 175.800 -0.543 0.000 1.085 66 F CA 0.037 57.921 58.000 -0.193 0.000 1.196 66 F CB -0.249 38.730 39.000 -0.036 0.000 1.053 66 F HN 0.126 nan 8.300 nan 0.000 0.578 67 A N 1.530 123.849 122.820 -0.835 0.000 5.578 67 A HA -0.293 4.025 4.320 -0.003 0.000 0.312 67 A C 1.806 179.108 177.584 -0.472 0.000 1.861 67 A CA 1.519 52.684 52.037 -1.453 0.000 0.719 67 A CB -1.762 16.134 19.000 -1.840 0.000 1.323 67 A HN 0.750 nan 8.150 nan 0.000 0.387 68 A N -0.797 121.888 122.820 -0.227 0.000 2.238 68 A HA 0.263 4.581 4.320 -0.003 0.000 0.208 68 A C 1.051 178.679 177.584 0.074 0.000 1.177 68 A CA 1.326 53.425 52.037 0.103 0.000 0.804 68 A CB -0.427 18.671 19.000 0.163 0.000 0.823 68 A HN 0.528 nan 8.150 nan 0.000 0.482 69 K N 1.432 121.828 120.400 -0.005 0.000 2.737 69 K HA 0.296 4.615 4.320 -0.003 0.000 0.251 69 K C -0.511 176.135 176.600 0.076 0.000 1.280 69 K CA 0.075 56.392 56.287 0.048 0.000 1.219 69 K CB -0.714 31.813 32.500 0.046 0.000 1.587 69 K HN 0.723 nan 8.250 nan 0.000 0.279 70 I N -1.910 118.718 120.570 0.097 0.000 2.646 70 I HA 0.556 4.724 4.170 -0.003 0.000 0.299 70 I C -0.802 175.314 176.117 -0.001 0.000 1.036 70 I CA -0.987 60.350 61.300 0.062 0.000 1.074 70 I CB 2.020 40.149 38.000 0.215 0.000 1.258 70 I HN 0.075 nan 8.210 nan 0.000 0.430 71 D N 2.378 122.599 120.400 -0.297 0.000 2.759 71 D HA 0.141 4.779 4.640 -0.003 0.000 0.321 71 D C 0.288 175.960 176.300 -1.048 0.000 1.267 71 D CA -0.692 52.755 54.000 -0.922 0.000 0.933 71 D CB 0.436 40.868 40.800 -0.614 0.000 1.431 71 D HN 0.593 nan 8.370 nan 0.000 0.504 72 Y N 0.863 120.352 120.300 -1.351 0.000 2.114 72 Y HA -0.240 4.308 4.550 -0.003 0.000 0.282 72 Y C 2.473 178.149 175.900 -0.374 0.000 1.165 72 Y CA 3.506 61.243 58.100 -0.605 0.000 1.148 72 Y CB -0.398 37.852 38.460 -0.350 0.000 0.972 72 Y HN 0.467 nan 8.280 nan 0.000 0.504 73 S N -1.090 114.525 115.700 -0.141 0.000 2.368 73 S HA -0.187 4.281 4.470 -0.003 0.000 0.225 73 S C 2.004 176.457 174.600 -0.245 0.000 1.030 73 S CA 1.556 59.673 58.200 -0.139 0.000 0.999 73 S CB -1.253 61.887 63.200 -0.101 0.000 0.844 73 S HN 0.255 nan 8.310 nan 0.000 0.459 74 V N 2.358 122.098 119.914 -0.290 0.000 2.295 74 V HA -0.127 3.991 4.120 -0.003 0.000 0.246 74 V C 2.608 178.483 176.094 -0.365 0.000 1.049 74 V CA 1.635 63.717 62.300 -0.363 0.000 1.024 74 V CB -0.734 30.808 31.823 -0.469 0.000 0.648 74 V HN 0.465 nan 8.190 nan 0.000 0.447 75 I N 0.212 120.607 120.570 -0.291 0.000 2.226 75 I HA -0.223 3.945 4.170 -0.003 0.000 0.245 75 I C 2.422 178.341 176.117 -0.330 0.000 1.100 75 I CA 1.739 62.913 61.300 -0.210 0.000 1.374 75 I CB -1.303 36.678 38.000 -0.033 0.000 1.057 75 I HN 0.396 nan 8.210 nan 0.000 0.413 76 K N 1.570 121.686 120.400 -0.474 0.000 2.063 76 K HA -0.210 4.108 4.320 -0.003 0.000 0.208 76 K C 2.117 178.545 176.600 -0.287 0.000 1.048 76 K CA 1.602 57.581 56.287 -0.513 0.000 0.928 76 K CB 0.026 32.081 32.500 -0.742 0.000 0.713 76 K HN 0.211 nan 8.250 nan 0.000 0.442 77 K N -0.015 120.229 120.400 -0.259 0.000 2.097 77 K HA -0.131 4.187 4.320 -0.003 0.000 0.206 77 K C 2.357 178.834 176.600 -0.205 0.000 1.049 77 K CA 1.301 57.480 56.287 -0.180 0.000 0.933 77 K CB 0.037 32.451 32.500 -0.144 0.000 0.717 77 K HN 0.207 nan 8.250 nan 0.000 0.442 78 Q N 0.366 119.967 119.800 -0.332 0.000 2.079 78 Q HA -0.099 4.239 4.340 -0.003 0.000 0.200 78 Q C 2.322 178.067 176.000 -0.426 0.000 0.974 78 Q CA 1.070 56.557 55.803 -0.527 0.000 0.840 78 Q CB -0.372 27.715 28.738 -1.085 0.000 0.898 78 Q HN 0.140 nan 8.270 nan 0.000 0.430 79 V N 2.139 121.860 119.914 -0.321 0.000 2.287 79 V HA -0.257 3.861 4.120 -0.003 0.000 0.248 79 V C 1.774 177.848 176.094 -0.033 0.000 1.053 79 V CA 2.127 64.316 62.300 -0.186 0.000 1.027 79 V CB -0.582 31.208 31.823 -0.055 0.000 0.646 79 V HN 0.252 nan 8.190 nan 0.000 0.447 80 D N 0.269 120.665 120.400 -0.007 0.000 2.117 80 D HA -0.113 4.526 4.640 -0.003 0.000 0.197 80 D C 2.189 178.493 176.300 0.005 0.000 0.987 80 D CA 1.662 55.679 54.000 0.028 0.000 0.829 80 D CB -0.304 40.513 40.800 0.029 0.000 0.961 80 D HN 0.463 nan 8.370 nan 0.000 0.460 81 A N 0.203 123.000 122.820 -0.037 0.000 1.929 81 A HA -0.111 4.207 4.320 -0.003 0.000 0.216 81 A C 2.066 179.639 177.584 -0.019 0.000 1.176 81 A CA 0.638 52.648 52.037 -0.045 0.000 0.628 81 A CB -0.915 18.034 19.000 -0.084 0.000 0.816 81 A HN 0.207 nan 8.150 nan 0.000 0.444 82 F N 0.867 120.698 119.950 -0.199 0.000 2.065 82 F HA -0.223 4.302 4.527 -0.003 0.000 0.298 82 F C 2.256 177.994 175.800 -0.103 0.000 1.112 82 F CA 2.253 60.147 58.000 -0.176 0.000 1.212 82 F CB -0.319 38.563 39.000 -0.197 0.000 0.975 82 F HN 0.044 nan 8.300 nan 0.000 0.476 83 V N 0.246 120.307 119.914 0.244 0.000 2.307 83 V HA -0.272 3.846 4.120 -0.003 0.000 0.245 83 V C 2.697 178.808 176.094 0.030 0.000 1.045 83 V CA 1.767 64.150 62.300 0.138 0.000 1.024 83 V CB -1.500 30.381 31.823 0.095 0.000 0.651 83 V HN 0.481 nan 8.190 nan 0.000 0.449 84 A N -0.089 122.737 122.820 0.010 0.000 1.972 84 A HA -0.033 4.285 4.320 -0.003 0.000 0.219 84 A C 2.220 179.782 177.584 -0.037 0.000 1.169 84 A CA 1.793 53.822 52.037 -0.013 0.000 0.635 84 A CB -0.550 18.441 19.000 -0.014 0.000 0.810 84 A HN 0.589 nan 8.150 nan 0.000 0.446 85 A N -1.744 121.035 122.820 -0.068 0.000 2.238 85 A HA 0.410 4.728 4.320 -0.003 0.000 0.208 85 A C 1.761 179.278 177.584 -0.113 0.000 1.177 85 A CA 1.148 53.125 52.037 -0.100 0.000 0.804 85 A CB -0.947 17.966 19.000 -0.145 0.000 0.823 85 A HN 1.864 nan 8.150 nan 0.000 0.482 86 G N -0.723 108.019 108.800 -0.096 0.000 2.160 86 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.251 86 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.251 86 G C 0.786 175.615 174.900 -0.117 0.000 1.008 86 G CA 0.496 45.550 45.100 -0.076 0.000 0.724 86 G HN 0.427 nan 8.290 nan 0.000 0.514 87 L N -0.375 120.684 121.223 -0.274 0.000 2.083 87 L HA -0.064 4.274 4.340 -0.003 0.000 0.209 87 L C 0.470 177.268 176.870 -0.121 0.000 1.083 87 L CA 1.928 56.525 54.840 -0.404 0.000 0.752 87 L CB -1.281 40.074 42.059 -1.172 0.000 0.899 87 L HN 0.220 nan 8.230 nan 0.000 0.433 88 P HA -0.176 nan 4.420 nan 0.000 0.215 88 P C 1.481 178.830 177.300 0.081 0.000 1.153 88 P CA 1.781 64.969 63.100 0.147 0.000 0.853 88 P CB 0.002 31.808 31.700 0.178 0.000 0.788 89 A N -0.222 122.622 122.820 0.040 0.000 2.067 89 A HA -0.015 4.303 4.320 -0.003 0.000 0.219 89 A C 2.196 179.793 177.584 0.022 0.000 1.158 89 A CA 1.718 53.769 52.037 0.023 0.000 0.661 89 A CB -1.403 17.602 19.000 0.008 0.000 0.801 89 A HN 0.209 nan 8.150 nan 0.000 0.452 90 A N -2.130 120.719 122.820 0.049 0.000 2.169 90 A HA 0.410 4.728 4.320 -0.003 0.000 0.212 90 A C 1.754 179.328 177.584 -0.016 0.000 1.153 90 A CA 1.401 53.471 52.037 0.054 0.000 0.756 90 A CB -0.490 18.603 19.000 0.155 0.000 0.813 90 A HN 1.711 nan 8.150 nan 0.000 0.471 91 G N -2.822 105.975 108.800 -0.005 0.000 2.229 91 G HA2 -0.188 3.771 3.960 -0.003 0.000 0.189 91 G HA3 -0.188 3.771 3.960 -0.003 0.000 0.189 91 G C -0.072 174.767 174.900 -0.100 0.000 1.000 91 G CA -0.177 44.871 45.100 -0.086 0.000 0.663 91 G HN 0.314 nan 8.290 nan 0.000 0.493 92 Y N 2.101 122.426 120.300 0.041 0.000 2.544 92 Y HA 0.373 4.921 4.550 -0.003 0.000 0.330 92 Y C 1.963 178.072 175.900 0.348 0.000 1.136 92 Y CA 1.283 59.482 58.100 0.166 0.000 1.417 92 Y CB 1.204 39.648 38.460 -0.025 0.000 1.229 92 Y HN 0.245 nan 8.280 nan 0.000 0.532 93 T N -1.438 113.345 114.554 0.381 0.000 3.057 93 T HA 0.178 4.526 4.350 -0.003 0.000 0.254 93 T C -0.254 174.412 174.700 -0.058 0.000 0.965 93 T CA -0.104 62.051 62.100 0.091 0.000 0.978 93 T CB -0.194 68.570 68.868 -0.174 0.000 1.169 93 T HN 0.255 nan 8.240 nan 0.000 0.489 94 Y N 1.831 122.198 120.300 0.112 0.000 2.308 94 Y HA 0.596 5.144 4.550 -0.003 0.000 0.329 94 Y C 0.207 176.068 175.900 -0.065 0.000 1.111 94 Y CA -1.620 56.463 58.100 -0.028 0.000 1.179 94 Y CB 0.789 39.141 38.460 -0.180 0.000 1.201 94 Y HN 0.115 nan 8.280 nan 0.000 0.483 95 I N 4.501 125.100 120.570 0.047 0.000 2.359 95 I HA 0.209 4.377 4.170 -0.003 0.000 0.284 95 I C -0.886 175.301 176.117 0.117 0.000 1.018 95 I CA -0.858 60.486 61.300 0.073 0.000 1.173 95 I CB 0.714 38.669 38.000 -0.076 0.000 1.326 95 I HN 0.606 nan 8.210 nan 0.000 0.462 96 N N 7.268 126.011 118.700 0.071 0.000 2.444 96 N HA 0.454 5.192 4.740 -0.003 0.000 0.262 96 N C -0.239 175.264 175.510 -0.011 0.000 0.974 96 N CA -0.375 52.644 53.050 -0.051 0.000 0.933 96 N CB 2.161 40.479 38.487 -0.282 0.000 1.137 96 N HN 0.438 nan 8.380 nan 0.000 0.498 97 I N 1.383 121.963 120.570 0.016 0.000 2.322 97 I HA 0.088 4.256 4.170 -0.003 0.000 0.292 97 I C 1.107 177.236 176.117 0.021 0.000 1.060 97 I CA -0.113 61.203 61.300 0.027 0.000 1.309 97 I CB 0.502 38.459 38.000 -0.073 0.000 1.415 97 I HN 0.383 nan 8.210 nan 0.000 0.492 98 D N 5.300 125.735 120.400 0.057 0.000 2.446 98 D HA 0.083 4.721 4.640 -0.003 0.000 0.288 98 D C 0.087 176.331 176.300 -0.094 0.000 1.195 98 D CA -0.451 53.497 54.000 -0.086 0.000 1.095 98 D CB 0.751 41.506 40.800 -0.075 0.000 1.153 98 D HN 0.521 nan 8.370 nan 0.000 0.568 99 E N -1.279 118.574 120.200 -0.580 0.000 2.452 99 E HA 0.208 4.556 4.350 -0.003 0.000 0.261 99 E C 0.155 176.889 176.600 0.224 0.000 0.987 99 E CA 0.765 57.004 56.400 -0.269 0.000 0.926 99 E CB 0.289 29.757 29.700 -0.387 0.000 0.934 99 E HN 0.637 nan 8.360 nan 0.000 0.452 100 G N 4.512 113.463 108.800 0.251 0.000 2.367 100 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.181 100 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.181 100 G C 0.523 175.640 174.900 0.362 0.000 1.000 100 G CA 0.165 45.425 45.100 0.267 0.000 0.693 100 G HN 0.712 nan 8.290 nan 0.000 0.480 101 W N -0.518 120.978 121.300 0.328 0.000 2.658 101 W HA 0.503 5.162 4.660 -0.003 0.000 0.263 101 W C 0.294 176.999 176.519 0.310 0.000 1.274 101 W CA 0.552 58.084 57.345 0.313 0.000 1.343 101 W CB -0.174 29.182 29.460 -0.174 0.000 1.106 101 W HN 0.286 nan 8.180 nan 0.000 0.615 102 W N 3.325 124.149 121.300 -0.794 0.000 2.781 102 W HA 0.346 5.004 4.660 -0.003 0.000 0.333 102 W C 0.379 176.674 176.519 -0.373 0.000 1.047 102 W CA -1.431 55.415 57.345 -0.831 0.000 1.236 102 W CB 1.219 29.607 29.460 -1.786 0.000 1.394 102 W HN -0.274 nan 8.180 nan 0.000 0.466 103 Q N 3.780 123.392 119.800 -0.314 0.000 2.246 103 Q HA 0.270 4.608 4.340 -0.003 0.000 0.202 103 Q C 1.337 176.976 176.000 -0.602 0.000 0.883 103 Q CA 0.611 56.203 55.803 -0.352 0.000 0.952 103 Q CB 0.647 29.326 28.738 -0.099 0.000 1.078 103 Q HN 1.055 nan 8.270 nan 0.000 0.493 104 G N 1.075 109.058 108.800 -1.362 0.000 2.176 104 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.232 104 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.232 104 G C 0.425 175.117 174.900 -0.347 0.000 0.986 104 G CA 0.343 44.715 45.100 -1.212 0.000 0.643 104 G HN 0.426 nan 8.290 nan 0.000 0.522 105 T N -0.885 113.668 114.554 -0.000 0.000 2.919 105 T HA 0.689 5.037 4.350 -0.003 0.000 0.302 105 T C 0.205 175.131 174.700 0.377 0.000 1.031 105 T CA -0.080 62.137 62.100 0.195 0.000 1.127 105 T CB 2.004 70.978 68.868 0.176 0.000 0.952 105 T HN 0.556 nan 8.240 nan 0.000 0.540 106 R N 1.308 121.925 120.500 0.196 0.000 2.771 106 R HA 0.439 4.777 4.340 -0.003 0.000 0.274 106 R C -0.706 175.647 176.300 0.089 0.000 0.987 106 R CA -1.010 55.172 56.100 0.137 0.000 0.908 106 R CB 1.523 31.858 30.300 0.058 0.000 1.213 106 R HN 0.893 nan 8.270 nan 0.000 0.468 107 D N -0.047 120.396 120.400 0.071 0.000 2.414 107 D HA -0.024 4.615 4.640 -0.003 0.000 0.259 107 D C 0.903 177.229 176.300 0.043 0.000 1.269 107 D CA -0.358 53.677 54.000 0.058 0.000 1.028 107 D CB 0.422 41.257 40.800 0.059 0.000 1.093 107 D HN 0.421 nan 8.370 nan 0.000 0.545 108 S N -1.328 114.394 115.700 0.038 0.000 2.442 108 S HA -0.094 4.374 4.470 -0.003 0.000 0.236 108 S C 1.735 176.355 174.600 0.032 0.000 1.007 108 S CA 0.600 58.819 58.200 0.032 0.000 0.965 108 S CB -0.696 62.520 63.200 0.027 0.000 0.773 108 S HN 0.671 nan 8.310 nan 0.000 0.504 109 A N 0.514 123.352 122.820 0.030 0.000 2.275 109 A HA 0.608 4.926 4.320 -0.003 0.000 0.212 109 A C 1.688 179.296 177.584 0.040 0.000 1.201 109 A CA 0.391 52.444 52.037 0.027 0.000 0.843 109 A CB -0.963 18.046 19.000 0.015 0.000 0.873 109 A HN 1.453 nan 8.150 nan 0.000 0.492 110 G N -0.293 108.533 108.800 0.042 0.000 2.157 110 G HA2 -0.237 3.722 3.960 -0.003 0.000 0.248 110 G HA3 -0.237 3.722 3.960 -0.003 0.000 0.248 110 G C -0.136 174.723 174.900 -0.070 0.000 0.979 110 G CA 0.025 45.144 45.100 0.031 0.000 0.650 110 G HN 0.504 nan 8.290 nan 0.000 0.529 111 N N 0.580 119.255 118.700 -0.041 0.000 2.497 111 N HA 0.293 5.031 4.740 -0.003 0.000 0.268 111 N C 0.948 176.427 175.510 -0.051 0.000 1.171 111 N CA -0.048 52.955 53.050 -0.078 0.000 0.948 111 N CB 0.863 39.326 38.487 -0.040 0.000 1.069 111 N HN 0.360 nan 8.380 nan 0.000 0.460 112 I N 1.563 122.053 120.570 -0.133 0.000 2.752 112 I HA -0.112 4.056 4.170 -0.003 0.000 0.289 112 I C 1.014 177.216 176.117 0.141 0.000 1.197 112 I CA 0.554 61.791 61.300 -0.104 0.000 1.432 112 I CB 0.021 37.780 38.000 -0.402 0.000 1.359 112 I HN 0.473 nan 8.210 nan 0.000 0.571 113 T N 4.225 118.907 114.554 0.213 0.000 2.856 113 T HA 0.710 5.058 4.350 -0.003 0.000 0.283 113 T C -0.329 174.555 174.700 0.307 0.000 1.008 113 T CA -0.839 61.417 62.100 0.259 0.000 0.997 113 T CB 1.803 70.796 68.868 0.208 0.000 0.992 113 T HN 0.416 nan 8.240 nan 0.000 0.454 114 V N -0.823 119.258 119.914 0.278 0.000 3.019 114 V HA 0.687 4.805 4.120 -0.003 0.000 0.317 114 V C -0.596 175.665 176.094 0.277 0.000 1.094 114 V CA -1.088 61.391 62.300 0.299 0.000 1.000 114 V CB 1.774 33.747 31.823 0.250 0.000 1.060 114 V HN 0.918 nan 8.190 nan 0.000 0.443 115 D N 2.113 122.708 120.400 0.324 0.000 2.352 115 D HA 0.200 4.838 4.640 -0.003 0.000 0.245 115 D C 1.422 177.888 176.300 0.277 0.000 1.224 115 D CA 0.594 54.749 54.000 0.258 0.000 0.879 115 D CB 1.467 42.404 40.800 0.229 0.000 1.057 115 D HN 0.964 nan 8.370 nan 0.000 0.491 116 T N 0.990 115.658 114.554 0.190 0.000 3.113 116 T HA 0.025 4.373 4.350 -0.003 0.000 0.263 116 T C 1.753 176.496 174.700 0.072 0.000 1.143 116 T CA 0.613 62.804 62.100 0.153 0.000 1.090 116 T CB 0.025 68.955 68.868 0.102 0.000 0.922 116 T HN 0.274 nan 8.240 nan 0.000 0.521 117 A N 2.034 124.888 122.820 0.056 0.000 1.933 117 A HA -0.066 4.252 4.320 -0.003 0.000 0.218 117 A C 2.335 179.884 177.584 -0.058 0.000 1.175 117 A CA 1.370 53.406 52.037 -0.000 0.000 0.628 117 A CB -0.394 18.612 19.000 0.010 0.000 0.814 117 A HN 0.668 nan 8.150 nan 0.000 0.444 118 E N -2.544 117.622 120.200 -0.057 0.000 2.276 118 E HA -0.047 4.301 4.350 -0.003 0.000 0.193 118 E C -0.430 175.805 176.600 -0.608 0.000 0.983 118 E CA 0.236 56.454 56.400 -0.303 0.000 0.861 118 E CB 0.092 29.645 29.700 -0.244 0.000 0.817 118 E HN 0.814 nan 8.360 nan 0.000 0.485 119 W N 2.855 124.198 121.300 0.073 0.000 2.148 119 W HA 0.278 4.936 4.660 -0.003 0.000 0.288 119 W C -2.449 174.053 176.519 -0.028 0.000 0.920 119 W CA -2.188 55.200 57.345 0.071 0.000 1.904 119 W CB 0.818 30.339 29.460 0.102 0.000 2.083 119 W HN -0.156 nan 8.180 nan 0.000 0.398 120 P HA 0.080 nan 4.420 nan 0.000 0.267 120 P C 1.066 178.310 177.300 -0.094 0.000 1.205 120 P CA 1.284 64.322 63.100 -0.105 0.000 0.765 120 P CB 1.185 32.733 31.700 -0.253 0.000 0.828 121 G N 1.927 110.707 108.800 -0.033 0.000 2.179 121 G HA2 -0.035 3.923 3.960 -0.003 0.000 0.260 121 G HA3 -0.035 3.923 3.960 -0.003 0.000 0.260 121 G C 0.560 175.468 174.900 0.012 0.000 0.977 121 G CA 0.389 45.482 45.100 -0.013 0.000 0.641 121 G HN 1.027 nan 8.290 nan 0.000 0.533 122 G N -1.527 107.298 108.800 0.041 0.000 2.782 122 G HA2 0.046 4.004 3.960 -0.003 0.000 0.228 122 G HA3 0.046 4.004 3.960 -0.003 0.000 0.228 122 G C 0.751 175.554 174.900 -0.162 0.000 1.372 122 G CA 0.417 45.499 45.100 -0.031 0.000 0.862 122 G HN 0.841 nan 8.290 nan 0.000 0.547 123 M N 1.072 120.322 119.600 -0.583 0.000 2.374 123 M HA -0.039 4.439 4.480 -0.003 0.000 0.264 123 M C 2.850 178.829 176.300 -0.535 0.000 1.067 123 M CA 2.268 57.124 55.300 -0.740 0.000 1.103 123 M CB -1.714 30.031 32.600 -1.425 0.000 1.402 123 M HN 1.178 nan 8.290 nan 0.000 0.444 124 S N 0.323 115.758 115.700 -0.441 0.000 2.447 124 S HA 0.021 4.489 4.470 -0.003 0.000 0.233 124 S C 2.051 176.604 174.600 -0.078 0.000 1.006 124 S CA 0.898 58.999 58.200 -0.165 0.000 0.957 124 S CB -0.475 62.749 63.200 0.039 0.000 0.773 124 S HN 0.419 nan 8.310 nan 0.000 0.507 125 A N 1.500 124.309 122.820 -0.019 0.000 1.929 125 A HA 0.148 4.466 4.320 -0.003 0.000 0.216 125 A C 2.121 179.838 177.584 0.221 0.000 1.176 125 A CA 1.261 53.358 52.037 0.102 0.000 0.628 125 A CB -0.694 18.358 19.000 0.087 0.000 0.816 125 A HN 0.541 nan 8.150 nan 0.000 0.444 126 I N 0.533 121.222 120.570 0.198 0.000 2.353 126 I HA -0.150 4.019 4.170 -0.003 0.000 0.248 126 I C 2.627 178.676 176.117 -0.112 0.000 1.119 126 I CA 2.264 63.630 61.300 0.111 0.000 1.417 126 I CB -0.445 37.657 38.000 0.171 0.000 1.078 126 I HN 0.486 nan 8.210 nan 0.000 0.421 127 T N -1.228 113.130 114.554 -0.328 0.000 2.788 127 T HA -0.088 4.260 4.350 -0.003 0.000 0.268 127 T C 2.031 176.441 174.700 -0.483 0.000 1.044 127 T CA 1.042 62.784 62.100 -0.598 0.000 1.139 127 T CB -0.980 67.412 68.868 -0.793 0.000 0.867 127 T HN 0.292 nan 8.240 nan 0.000 0.454 128 A N 0.407 123.132 122.820 -0.158 0.000 1.902 128 A HA -0.019 4.299 4.320 -0.003 0.000 0.217 128 A C 2.188 179.779 177.584 0.011 0.000 1.181 128 A CA 1.609 53.642 52.037 -0.006 0.000 0.623 128 A CB -1.296 17.741 19.000 0.061 0.000 0.818 128 A HN 0.618 nan 8.150 nan 0.000 0.443 129 Y N 0.312 120.573 120.300 -0.066 0.000 2.145 129 Y HA -0.171 4.377 4.550 -0.003 0.000 0.286 129 Y C 2.079 177.912 175.900 -0.112 0.000 1.145 129 Y CA 1.814 59.881 58.100 -0.056 0.000 1.148 129 Y CB -0.251 38.178 38.460 -0.052 0.000 0.981 129 Y HN 0.268 nan 8.280 nan 0.000 0.507 130 I N -0.601 119.912 120.570 -0.095 0.000 2.163 130 I HA -0.408 3.761 4.170 -0.003 0.000 0.243 130 I C 2.140 178.161 176.117 -0.160 0.000 1.085 130 I CA 2.022 63.212 61.300 -0.183 0.000 1.347 130 I CB -0.591 37.274 38.000 -0.224 0.000 1.044 130 I HN 0.333 nan 8.210 nan 0.000 0.408 131 H N -0.294 118.706 119.070 -0.117 0.000 2.421 131 H HA -0.124 4.430 4.556 -0.003 0.000 0.298 131 H C 2.459 177.712 175.328 -0.125 0.000 1.087 131 H CA 1.162 57.146 56.048 -0.106 0.000 1.330 131 H CB 0.007 29.723 29.762 -0.077 0.000 1.388 131 H HN 0.385 nan 8.280 nan 0.000 0.526 132 S N 0.608 116.272 115.700 -0.059 0.000 2.474 132 S HA -0.074 4.394 4.470 -0.003 0.000 0.235 132 S C 1.520 176.020 174.600 -0.166 0.000 0.997 132 S CA 0.734 58.857 58.200 -0.128 0.000 0.949 132 S CB 0.089 63.169 63.200 -0.201 0.000 0.766 132 S HN 0.228 nan 8.310 nan 0.000 0.517 133 K N 0.775 121.062 120.400 -0.188 0.000 2.387 133 K HA 0.297 4.615 4.320 -0.003 0.000 0.198 133 K C 1.219 177.780 176.600 -0.063 0.000 1.022 133 K CA 0.494 56.694 56.287 -0.144 0.000 1.128 133 K CB -0.148 32.242 32.500 -0.183 0.000 0.853 133 K HN 0.546 nan 8.250 nan 0.000 0.523 134 G N 1.722 110.496 108.800 -0.043 0.000 2.160 134 G HA2 -0.262 3.697 3.960 -0.003 0.000 0.251 134 G HA3 -0.262 3.697 3.960 -0.003 0.000 0.251 134 G C 0.023 174.915 174.900 -0.013 0.000 1.008 134 G CA 0.251 45.338 45.100 -0.021 0.000 0.724 134 G HN 0.231 nan 8.290 nan 0.000 0.514 135 L N -1.240 119.974 121.223 -0.014 0.000 2.331 135 L HA 0.686 5.025 4.340 -0.003 0.000 0.268 135 L C 0.682 177.565 176.870 0.021 0.000 1.015 135 L CA -1.197 53.617 54.840 -0.042 0.000 0.807 135 L CB 1.300 43.278 42.059 -0.135 0.000 1.293 135 L HN -0.029 nan 8.230 nan 0.000 0.451 136 K N 0.443 120.801 120.400 -0.070 0.000 2.123 136 K HA 0.725 5.044 4.320 -0.003 0.000 0.259 136 K C -0.860 175.791 176.600 0.084 0.000 0.960 136 K CA -0.626 55.670 56.287 0.016 0.000 0.872 136 K CB 1.955 34.297 32.500 -0.262 0.000 1.079 136 K HN 0.632 nan 8.250 nan 0.000 0.440 137 A N 1.137 124.065 122.820 0.180 0.000 2.317 137 A HA 0.706 5.024 4.320 -0.003 0.000 0.327 137 A C -0.269 177.606 177.584 0.485 0.000 1.178 137 A CA -0.561 51.585 52.037 0.182 0.000 0.817 137 A CB 1.300 20.213 19.000 -0.146 0.000 1.189 137 A HN 0.747 nan 8.150 nan 0.000 0.489 138 G N 0.395 109.432 108.800 0.394 0.000 2.448 138 G HA2 0.605 4.563 3.960 -0.003 0.000 0.324 138 G HA3 0.605 4.563 3.960 -0.003 0.000 0.324 138 G C -1.074 173.787 174.900 -0.065 0.000 1.203 138 G CA -0.267 45.022 45.100 0.315 0.000 0.954 138 G HN 0.692 nan 8.290 nan 0.000 0.480 139 I N -0.304 120.016 120.570 -0.417 0.000 3.457 139 I HA 0.839 5.007 4.170 -0.003 0.000 0.307 139 I C -1.735 174.162 176.117 -0.367 0.000 1.138 139 I CA -1.789 58.937 61.300 -0.956 0.000 0.974 139 I CB 2.391 39.018 38.000 -2.289 0.000 1.324 139 I HN 0.516 nan 8.210 nan 0.000 0.485 140 Y N 1.179 121.237 120.300 -0.403 0.000 2.442 140 Y HA 0.618 5.166 4.550 -0.003 0.000 0.330 140 Y C -0.846 175.243 175.900 0.314 0.000 1.100 140 Y CA -0.126 58.008 58.100 0.056 0.000 1.034 140 Y CB 1.536 40.122 38.460 0.210 0.000 1.285 140 Y HN 0.720 nan 8.280 nan 0.000 0.440 141 T N 3.481 117.825 114.554 -0.349 0.000 2.647 141 T HA 0.333 4.681 4.350 -0.003 0.000 0.295 141 T C -2.237 172.299 174.700 -0.274 0.000 1.126 141 T CA -0.581 61.482 62.100 -0.062 0.000 1.040 141 T CB 1.612 70.713 68.868 0.389 0.000 1.472 141 T HN 0.747 nan 8.240 nan 0.000 0.500 142 D N -0.417 120.006 120.400 0.037 0.000 2.433 142 D HA 0.604 5.242 4.640 -0.003 0.000 0.236 142 D C 0.725 177.104 176.300 0.131 0.000 1.026 142 D CA -0.260 53.777 54.000 0.062 0.000 0.884 142 D CB 2.291 43.158 40.800 0.112 0.000 1.384 142 D HN 0.607 nan 8.370 nan 0.000 0.477 143 A N 2.222 125.098 122.820 0.093 0.000 2.015 143 A HA 0.165 4.483 4.320 -0.003 0.000 0.219 143 A C 1.167 178.829 177.584 0.130 0.000 1.163 143 A CA 1.347 53.426 52.037 0.071 0.000 0.646 143 A CB -0.347 18.628 19.000 -0.041 0.000 0.806 143 A HN 0.504 nan 8.150 nan 0.000 0.448 144 G N -1.452 107.362 108.800 0.023 0.000 2.532 144 G HA2 0.394 4.352 3.960 -0.003 0.000 0.291 144 G HA3 0.394 4.352 3.960 -0.003 0.000 0.291 144 G C 0.532 175.462 174.900 0.048 0.000 1.349 144 G CA -0.264 44.825 45.100 -0.018 0.000 1.038 144 G HN 0.248 nan 8.290 nan 0.000 0.518 145 K N -0.650 119.757 120.400 0.012 0.000 2.296 145 K HA 0.077 4.395 4.320 -0.003 0.000 0.200 145 K C -0.412 176.162 176.600 -0.043 0.000 1.048 145 K CA 0.887 57.172 56.287 -0.002 0.000 0.966 145 K CB 0.084 32.557 32.500 -0.044 0.000 0.754 145 K HN 0.484 nan 8.250 nan 0.000 0.466 146 D N -1.192 119.200 120.400 -0.013 0.000 2.732 146 D HA 0.325 4.963 4.640 -0.003 0.000 0.229 146 D C -0.461 175.914 176.300 0.126 0.000 1.152 146 D CA -0.661 53.279 54.000 -0.099 0.000 0.854 146 D CB 1.992 42.538 40.800 -0.422 0.000 1.590 146 D HN 0.054 nan 8.370 nan 0.000 0.468 147 G N -0.663 108.187 108.800 0.083 0.000 2.642 147 G HA2 0.299 4.258 3.960 -0.003 0.000 0.291 147 G HA3 0.299 4.258 3.960 -0.003 0.000 0.291 147 G C 0.815 175.927 174.900 0.355 0.000 1.345 147 G CA -0.570 44.660 45.100 0.217 0.000 1.043 147 G HN 0.724 nan 8.290 nan 0.000 0.528 148 c N -0.352 118.486 118.600 0.396 0.000 2.419 148 c HA 0.037 4.605 4.570 -0.003 0.000 0.281 148 c C 2.963 177.238 174.090 0.308 0.000 1.336 148 c CA 0.841 57.431 56.329 0.437 0.000 1.770 148 c CB -1.104 41.652 42.510 0.409 0.000 1.929 148 c HN 0.842 nan 8.230 nan 0.000 0.509 149 G N -1.438 107.497 108.800 0.225 0.000 2.509 149 G HA2 -0.217 3.742 3.960 -0.003 0.000 0.218 149 G HA3 -0.217 3.742 3.960 -0.003 0.000 0.218 149 G C 1.270 176.205 174.900 0.059 0.000 1.124 149 G CA 0.771 45.951 45.100 0.132 0.000 0.776 149 G HN 0.624 nan 8.290 nan 0.000 0.547 150 Y N -0.350 119.891 120.300 -0.097 0.000 2.266 150 Y HA 0.180 4.728 4.550 -0.003 0.000 0.294 150 Y C 2.411 178.133 175.900 -0.297 0.000 1.127 150 Y CA 0.694 58.634 58.100 -0.268 0.000 1.140 150 Y CB 0.005 38.181 38.460 -0.472 0.000 1.071 150 Y HN 0.147 nan 8.280 nan 0.000 0.525 151 Y N -1.241 118.960 120.300 -0.164 0.000 2.314 151 Y HA -0.091 4.457 4.550 -0.003 0.000 0.293 151 Y C 0.144 175.627 175.900 -0.696 0.000 1.129 151 Y CA 1.311 59.109 58.100 -0.502 0.000 1.201 151 Y CB -0.219 37.954 38.460 -0.479 0.000 0.999 151 Y HN 0.079 nan 8.280 nan 0.000 0.541 152 Y N -0.747 119.625 120.300 0.121 0.000 2.490 152 Y HA 0.387 4.935 4.550 -0.003 0.000 0.346 152 Y C -2.660 173.300 175.900 0.101 0.000 1.023 152 Y CA -3.739 54.422 58.100 0.101 0.000 1.142 152 Y CB 0.070 38.613 38.460 0.138 0.000 1.126 152 Y HN -0.146 nan 8.280 nan 0.000 0.647 153 P HA 0.085 nan 4.420 nan 0.000 0.263 153 P C -0.149 177.249 177.300 0.164 0.000 1.195 153 P CA 0.506 63.672 63.100 0.109 0.000 0.762 153 P CB 0.710 32.419 31.700 0.015 0.000 0.799 154 T N 2.539 117.205 114.554 0.188 0.000 3.133 154 T HA 0.508 4.856 4.350 -0.003 0.000 0.368 154 T C 0.822 175.532 174.700 0.016 0.000 1.190 154 T CA 0.083 62.283 62.100 0.166 0.000 1.282 154 T CB 0.633 69.678 68.868 0.296 0.000 1.042 154 T HN 0.622 nan 8.240 nan 0.000 0.536 155 G N 2.584 111.402 108.800 0.031 0.000 2.195 155 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.224 155 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.224 155 G C 0.067 174.983 174.900 0.026 0.000 0.990 155 G CA -0.509 44.585 45.100 -0.010 0.000 0.639 155 G HN 0.645 nan 8.290 nan 0.000 0.514 156 R N -0.024 120.503 120.500 0.045 0.000 2.707 156 R HA 0.506 4.844 4.340 -0.003 0.000 0.272 156 R C -2.769 173.552 176.300 0.034 0.000 1.011 156 R CA -1.701 54.426 56.100 0.045 0.000 0.893 156 R CB 1.932 32.267 30.300 0.058 0.000 1.233 156 R HN 0.033 nan 8.270 nan 0.000 0.464 157 P HA 0.049 nan 4.420 nan 0.000 0.270 157 P C -0.856 176.437 177.300 -0.012 0.000 1.223 157 P CA -0.201 62.900 63.100 0.002 0.000 0.785 157 P CB 0.468 32.170 31.700 0.002 0.000 0.923 158 A N 1.610 124.402 122.820 -0.046 0.000 2.561 158 A HA 0.357 4.675 4.320 -0.003 0.000 0.234 158 A C 0.493 178.073 177.584 -0.007 0.000 1.055 158 A CA 0.567 52.559 52.037 -0.075 0.000 0.756 158 A CB -0.666 18.217 19.000 -0.195 0.000 0.986 158 A HN 0.546 nan 8.150 nan 0.000 0.505 159 A N 4.838 127.666 122.820 0.014 0.000 2.786 159 A HA 0.623 4.941 4.320 -0.003 0.000 0.346 159 A C -2.493 175.036 177.584 -0.092 0.000 1.265 159 A CA -1.596 50.399 52.037 -0.071 0.000 0.858 159 A CB 0.138 19.042 19.000 -0.161 0.000 1.118 159 A HN 0.645 nan 8.150 nan 0.000 0.482 160 P HA 0.251 nan 4.420 nan 0.000 0.268 160 P C 0.960 178.032 177.300 -0.381 0.000 1.205 160 P CA 1.613 64.513 63.100 -0.335 0.000 0.771 160 P CB 1.088 32.624 31.700 -0.272 0.000 0.858 161 G N 2.271 110.810 108.800 -0.434 0.000 2.175 161 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.244 161 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.244 161 G C 0.465 175.045 174.900 -0.532 0.000 0.982 161 G CA 0.288 45.173 45.100 -0.358 0.000 0.641 161 G HN 0.712 nan 8.290 nan 0.000 0.527 162 S N 0.089 115.392 115.700 -0.661 0.000 3.122 162 S HA 0.595 5.063 4.470 -0.003 0.000 0.249 162 S C 0.788 175.196 174.600 -0.320 0.000 1.334 162 S CA 0.590 58.178 58.200 -1.019 0.000 1.251 162 S CB 0.592 63.366 63.200 -0.710 0.000 1.034 162 S HN 1.703 nan 8.310 nan 0.000 0.478 163 G N -0.522 108.255 108.800 -0.039 0.000 2.672 163 G HA2 0.533 4.491 3.960 -0.003 0.000 0.292 163 G HA3 0.533 4.491 3.960 -0.003 0.000 0.292 163 G C -0.089 175.033 174.900 0.371 0.000 1.375 163 G CA -0.792 44.442 45.100 0.224 0.000 0.890 163 G HN 0.188 nan 8.290 nan 0.000 0.476 164 S N -0.799 115.119 115.700 0.364 0.000 2.540 164 S HA 0.133 4.601 4.470 -0.003 0.000 0.218 164 S C 0.749 175.504 174.600 0.260 0.000 0.977 164 S CA -0.270 58.154 58.200 0.373 0.000 0.918 164 S CB 0.042 63.495 63.200 0.421 0.000 0.806 164 S HN 0.665 nan 8.310 nan 0.000 0.496 165 E N 0.975 121.260 120.200 0.142 0.000 2.529 165 E HA 0.202 4.550 4.350 -0.003 0.000 0.259 165 E C 1.159 177.613 176.600 -0.244 0.000 0.966 165 E CA 0.847 57.111 56.400 -0.228 0.000 0.937 165 E CB 0.020 29.662 29.700 -0.097 0.000 0.923 165 E HN 0.371 nan 8.360 nan 0.000 0.468 166 G N 4.304 112.786 108.800 -0.530 0.000 2.179 166 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.260 166 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.260 166 G C 0.287 174.794 174.900 -0.656 0.000 0.977 166 G CA 0.693 45.495 45.100 -0.496 0.000 0.641 166 G HN 0.792 nan 8.290 nan 0.000 0.533 167 H N -1.833 117.082 119.070 -0.258 0.000 2.777 167 H HA 0.378 4.932 4.556 -0.003 0.000 0.244 167 H C 1.397 176.701 175.328 -0.040 0.000 1.185 167 H CA -0.484 55.488 56.048 -0.127 0.000 0.945 167 H CB 0.122 29.841 29.762 -0.070 0.000 1.994 167 H HN 0.240 nan 8.280 nan 0.000 0.638 168 Y N 1.034 121.331 120.300 -0.005 0.000 2.097 168 Y HA -0.233 4.315 4.550 -0.003 0.000 0.282 168 Y C 1.990 177.851 175.900 -0.065 0.000 1.152 168 Y CA 1.158 59.242 58.100 -0.027 0.000 1.136 168 Y CB -0.315 38.129 38.460 -0.028 0.000 0.975 168 Y HN 0.360 nan 8.280 nan 0.000 0.498 169 D N -0.382 120.076 120.400 0.097 0.000 2.117 169 D HA -0.186 4.452 4.640 -0.003 0.000 0.198 169 D C 2.175 178.440 176.300 -0.058 0.000 0.982 169 D CA 1.239 55.245 54.000 0.010 0.000 0.828 169 D CB -0.276 40.523 40.800 -0.001 0.000 0.967 169 D HN 0.452 nan 8.370 nan 0.000 0.464 170 Q N 0.595 120.360 119.800 -0.059 0.000 2.030 170 Q HA -0.181 4.157 4.340 -0.003 0.000 0.204 170 Q C 1.391 177.235 176.000 -0.261 0.000 0.986 170 Q CA 1.681 57.417 55.803 -0.112 0.000 0.843 170 Q CB 0.191 28.915 28.738 -0.022 0.000 0.904 170 Q HN 0.088 nan 8.270 nan 0.000 0.420 171 D N -0.399 119.822 120.400 -0.298 0.000 2.123 171 D HA -0.132 4.506 4.640 -0.003 0.000 0.200 171 D C 1.904 177.615 176.300 -0.983 0.000 0.976 171 D CA 1.001 54.579 54.000 -0.703 0.000 0.831 171 D CB -0.083 40.391 40.800 -0.544 0.000 0.974 171 D HN 0.290 nan 8.370 nan 0.000 0.469 172 M N 0.141 119.479 119.600 -0.437 0.000 2.117 172 M HA -0.074 4.404 4.480 -0.003 0.000 0.262 172 M C 2.202 178.401 176.300 -0.168 0.000 1.065 172 M CA 0.702 55.883 55.300 -0.199 0.000 1.114 172 M CB -0.967 31.623 32.600 -0.016 0.000 1.361 172 M HN 0.081 nan 8.290 nan 0.000 0.408 173 L N 0.636 121.743 121.223 -0.193 0.000 2.046 173 L HA -0.212 4.126 4.340 -0.003 0.000 0.208 173 L C 2.523 179.247 176.870 -0.244 0.000 1.077 173 L CA 1.958 56.705 54.840 -0.156 0.000 0.747 173 L CB -0.924 41.054 42.059 -0.135 0.000 0.896 173 L HN 0.293 nan 8.230 nan 0.000 0.432 174 Q N -0.899 118.628 119.800 -0.454 0.000 2.061 174 Q HA -0.212 4.126 4.340 -0.003 0.000 0.204 174 Q C 1.998 177.652 176.000 -0.576 0.000 0.984 174 Q CA 2.149 57.525 55.803 -0.711 0.000 0.846 174 Q CB -0.449 27.701 28.738 -0.981 0.000 0.902 174 Q HN 0.500 nan 8.270 nan 0.000 0.421 175 F N -0.384 119.423 119.950 -0.238 0.000 2.134 175 F HA -0.083 4.442 4.527 -0.003 0.000 0.299 175 F C 2.730 178.691 175.800 0.268 0.000 1.097 175 F CA 1.253 59.336 58.000 0.138 0.000 1.264 175 F CB -1.408 37.640 39.000 0.081 0.000 1.001 175 F HN 0.117 nan 8.300 nan 0.000 0.479 176 S N -0.426 115.444 115.700 0.284 0.000 2.368 176 S HA -0.167 4.301 4.470 -0.003 0.000 0.224 176 S C 2.268 176.963 174.600 0.158 0.000 1.029 176 S CA 1.921 60.252 58.200 0.219 0.000 0.988 176 S CB -0.642 62.634 63.200 0.128 0.000 0.838 176 S HN 0.559 nan 8.310 nan 0.000 0.462 177 T N -1.681 112.907 114.554 0.057 0.000 2.788 177 T HA -0.104 4.244 4.350 -0.003 0.000 0.268 177 T C 1.568 176.358 174.700 0.151 0.000 1.044 177 T CA 0.985 63.106 62.100 0.035 0.000 1.139 177 T CB -0.615 68.209 68.868 -0.074 0.000 0.867 177 T HN 0.496 nan 8.240 nan 0.000 0.454 178 W N 2.245 123.603 121.300 0.096 0.000 2.525 178 W HA 0.330 4.988 4.660 -0.003 0.000 0.259 178 W C 2.037 178.489 176.519 -0.111 0.000 1.253 178 W CA 0.769 58.128 57.345 0.024 0.000 1.262 178 W CB -1.078 28.447 29.460 0.108 0.000 1.122 178 W HN 0.649 nan 8.180 nan 0.000 0.607 179 G N -2.108 106.802 108.800 0.183 0.000 2.175 179 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.182 179 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.182 179 G C -0.120 174.835 174.900 0.092 0.000 1.003 179 G CA -0.763 44.417 45.100 0.133 0.000 0.666 179 G HN -0.009 nan 8.290 nan 0.000 0.506 180 F N 1.705 121.804 119.950 0.249 0.000 2.471 180 F HA 0.387 4.912 4.527 -0.003 0.000 0.353 180 F C 1.303 177.249 175.800 0.243 0.000 1.113 180 F CA 0.122 58.243 58.000 0.203 0.000 1.262 180 F CB 0.803 39.883 39.000 0.133 0.000 1.146 180 F HN 0.005 nan 8.300 nan 0.000 0.578 181 D N 1.840 122.538 120.400 0.496 0.000 2.407 181 D HA 0.041 4.680 4.640 -0.003 0.000 0.208 181 D C -0.520 176.097 176.300 0.529 0.000 1.083 181 D CA 0.656 54.922 54.000 0.443 0.000 0.844 181 D CB 0.615 41.666 40.800 0.420 0.000 0.967 181 D HN 0.272 nan 8.370 nan 0.000 0.506 182 F N 1.038 121.163 119.950 0.293 0.000 2.628 182 F HA 0.415 4.940 4.527 -0.003 0.000 0.309 182 F C -1.933 173.881 175.800 0.023 0.000 1.108 182 F CA -1.002 57.077 58.000 0.132 0.000 0.971 182 F CB 1.871 40.908 39.000 0.062 0.000 1.279 182 F HN -0.333 nan 8.300 nan 0.000 0.441 183 V N 6.459 126.180 119.914 -0.322 0.000 2.668 183 V HA 0.463 4.581 4.120 -0.003 0.000 0.304 183 V C -1.483 174.399 176.094 -0.355 0.000 1.071 183 V CA -0.627 61.536 62.300 -0.229 0.000 0.894 183 V CB 1.826 33.579 31.823 -0.116 0.000 1.008 183 V HN 0.851 nan 8.190 nan 0.000 0.425 184 K N 5.400 125.751 120.400 -0.081 0.000 2.234 184 K HA 0.700 5.018 4.320 -0.003 0.000 0.277 184 K C -1.461 175.129 176.600 -0.017 0.000 1.038 184 K CA -0.489 55.815 56.287 0.029 0.000 0.888 184 K CB 1.627 34.331 32.500 0.340 0.000 1.091 184 K HN 0.557 nan 8.250 nan 0.000 0.467 185 V N 4.785 124.705 119.914 0.010 0.000 2.326 185 V HA 0.124 4.242 4.120 -0.003 0.000 0.281 185 V C 0.010 176.199 176.094 0.158 0.000 1.015 185 V CA -0.885 61.445 62.300 0.051 0.000 0.823 185 V CB 1.078 32.990 31.823 0.149 0.000 1.009 185 V HN 0.862 nan 8.190 nan 0.000 0.436 186 D N 2.361 122.790 120.400 0.048 0.000 2.447 186 D HA 0.184 4.822 4.640 -0.003 0.000 0.265 186 D C 0.018 176.496 176.300 0.297 0.000 1.250 186 D CA -0.403 53.722 54.000 0.209 0.000 1.046 186 D CB 1.582 42.536 40.800 0.258 0.000 1.095 186 D HN 0.655 nan 8.370 nan 0.000 0.555 187 W N 0.980 122.258 121.300 -0.036 0.000 2.518 187 W HA 0.078 4.737 4.660 -0.003 0.000 0.352 187 W C 0.940 177.427 176.519 -0.054 0.000 0.952 187 W CA -0.366 56.809 57.345 -0.283 0.000 1.624 187 W CB 0.090 28.972 29.460 -0.964 0.000 1.135 187 W HN 0.318 nan 8.180 nan 0.000 0.540 188 c N 0.386 119.176 118.600 0.317 0.000 2.413 188 c HA -0.143 4.425 4.570 -0.003 0.000 0.276 188 c C 2.956 176.945 174.090 -0.168 0.000 1.248 188 c CA 2.226 58.755 56.329 0.333 0.000 1.742 188 c CB -1.579 41.252 42.510 0.536 0.000 2.017 188 c HN 0.566 nan 8.230 nan 0.000 0.481 189 G N -0.001 108.747 108.800 -0.087 0.000 2.403 189 G HA2 0.091 4.049 3.960 -0.003 0.000 0.216 189 G HA3 0.091 4.049 3.960 -0.003 0.000 0.216 189 G C 1.781 176.401 174.900 -0.466 0.000 1.154 189 G CA 1.052 46.065 45.100 -0.145 0.000 0.784 189 G HN 0.570 nan 8.290 nan 0.000 0.538 190 G N 0.752 109.033 108.800 -0.866 0.000 2.421 190 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.216 190 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.216 190 G C 1.461 175.533 174.900 -1.380 0.000 1.171 190 G CA 1.394 45.520 45.100 -1.624 0.000 0.775 190 G HN 0.448 nan 8.290 nan 0.000 0.543 191 D N 0.612 120.217 120.400 -1.324 0.000 2.097 191 D HA 0.025 4.663 4.640 -0.003 0.000 0.195 191 D C 2.724 178.869 176.300 -0.259 0.000 0.989 191 D CA 1.503 55.235 54.000 -0.446 0.000 0.827 191 D CB -0.348 40.468 40.800 0.027 0.000 0.966 191 D HN 0.231 nan 8.370 nan 0.000 0.456 192 A N 0.229 122.809 122.820 -0.400 0.000 1.902 192 A HA -0.178 4.140 4.320 -0.003 0.000 0.217 192 A C 2.064 179.528 177.584 -0.200 0.000 1.181 192 A CA 1.687 53.502 52.037 -0.370 0.000 0.623 192 A CB -0.587 17.929 19.000 -0.806 0.000 0.818 192 A HN 0.352 nan 8.150 nan 0.000 0.443 193 E N -1.947 118.117 120.200 -0.227 0.000 2.371 193 E HA 0.256 4.604 4.350 -0.003 0.000 0.194 193 E C 1.051 177.585 176.600 -0.110 0.000 1.012 193 E CA 0.312 56.628 56.400 -0.140 0.000 0.860 193 E CB -0.026 29.585 29.700 -0.149 0.000 0.811 193 E HN 0.762 nan 8.360 nan 0.000 0.502 194 G N 1.469 110.195 108.800 -0.124 0.000 2.142 194 G HA2 -0.260 3.699 3.960 -0.003 0.000 0.225 194 G HA3 -0.260 3.699 3.960 -0.003 0.000 0.225 194 G C 0.105 174.991 174.900 -0.024 0.000 1.015 194 G CA -0.215 44.859 45.100 -0.044 0.000 0.716 194 G HN 0.099 nan 8.290 nan 0.000 0.508 195 L N 0.111 121.285 121.223 -0.082 0.000 2.467 195 L HA 0.354 4.692 4.340 -0.003 0.000 0.270 195 L C 0.790 177.782 176.870 0.203 0.000 1.205 195 L CA -0.295 54.550 54.840 0.009 0.000 0.828 195 L CB 0.464 42.477 42.059 -0.078 0.000 1.101 195 L HN 0.277 nan 8.230 nan 0.000 0.479 196 D N 0.705 121.175 120.400 0.117 0.000 2.317 196 D HA 0.294 4.932 4.640 -0.003 0.000 0.252 196 D C 0.649 176.936 176.300 -0.021 0.000 1.174 196 D CA 0.108 54.128 54.000 0.034 0.000 0.866 196 D CB 1.740 42.494 40.800 -0.076 0.000 1.127 196 D HN 0.556 nan 8.370 nan 0.000 0.467 197 A N 4.099 126.802 122.820 -0.196 0.000 1.873 197 A HA 0.013 4.331 4.320 -0.003 0.000 0.215 197 A C 2.143 179.158 177.584 -0.948 0.000 1.186 197 A CA 1.597 53.265 52.037 -0.614 0.000 0.616 197 A CB -0.937 17.613 19.000 -0.750 0.000 0.823 197 A HN 0.684 nan 8.150 nan 0.000 0.442 198 A N -0.145 121.826 122.820 -1.415 0.000 1.883 198 A HA -0.144 4.174 4.320 -0.003 0.000 0.217 198 A C 2.457 179.608 177.584 -0.722 0.000 1.186 198 A CA 2.765 53.790 52.037 -1.687 0.000 0.624 198 A CB -1.444 16.645 19.000 -1.518 0.000 0.822 198 A HN 0.761 nan 8.150 nan 0.000 0.444 199 T N -3.795 110.483 114.554 -0.460 0.000 2.904 199 T HA -0.073 4.275 4.350 -0.003 0.000 0.267 199 T C 1.786 176.378 174.700 -0.180 0.000 1.059 199 T CA 1.824 63.774 62.100 -0.250 0.000 1.137 199 T CB -0.772 67.994 68.868 -0.170 0.000 0.879 199 T HN 0.309 nan 8.240 nan 0.000 0.467 200 T N 0.988 115.426 114.554 -0.194 0.000 2.737 200 T HA -0.003 4.345 4.350 -0.003 0.000 0.265 200 T C 1.468 176.014 174.700 -0.257 0.000 1.038 200 T CA 1.246 63.259 62.100 -0.145 0.000 1.144 200 T CB -0.551 68.278 68.868 -0.066 0.000 0.866 200 T HN 0.460 nan 8.240 nan 0.000 0.434 201 Y N 1.328 121.494 120.300 -0.224 0.000 2.352 201 Y HA 0.027 4.575 4.550 -0.003 0.000 0.292 201 Y C 2.393 178.201 175.900 -0.153 0.000 1.136 201 Y CA 0.666 58.655 58.100 -0.185 0.000 1.227 201 Y CB -0.218 38.174 38.460 -0.115 0.000 0.991 201 Y HN 0.032 nan 8.280 nan 0.000 0.545 202 K N 0.149 120.523 120.400 -0.044 0.000 2.026 202 K HA -0.163 4.155 4.320 -0.003 0.000 0.208 202 K C 2.479 179.054 176.600 -0.043 0.000 1.048 202 K CA 1.730 57.989 56.287 -0.047 0.000 0.929 202 K CB -0.715 31.735 32.500 -0.083 0.000 0.713 202 K HN 0.094 nan 8.250 nan 0.000 0.439 203 S N -0.256 115.413 115.700 -0.052 0.000 2.370 203 S HA -0.095 4.373 4.470 -0.003 0.000 0.226 203 S C 1.940 176.495 174.600 -0.075 0.000 1.033 203 S CA 1.496 59.693 58.200 -0.005 0.000 1.011 203 S CB -0.364 62.900 63.200 0.106 0.000 0.852 203 S HN 0.381 nan 8.310 nan 0.000 0.457 204 I N 0.874 121.284 120.570 -0.267 0.000 2.179 204 I HA -0.139 4.029 4.170 -0.003 0.000 0.242 204 I C 2.776 178.819 176.117 -0.122 0.000 1.088 204 I CA 1.366 62.440 61.300 -0.377 0.000 1.357 204 I CB -0.559 37.166 38.000 -0.459 0.000 1.051 204 I HN 0.353 nan 8.210 nan 0.000 0.409 205 S N 0.614 116.288 115.700 -0.044 0.000 2.370 205 S HA -0.245 4.223 4.470 -0.003 0.000 0.226 205 S C 1.727 176.327 174.600 -0.000 0.000 1.033 205 S CA 2.030 60.228 58.200 -0.003 0.000 1.011 205 S CB -0.336 62.872 63.200 0.013 0.000 0.852 205 S HN 0.378 nan 8.310 nan 0.000 0.457 206 D N 1.237 121.634 120.400 -0.005 0.000 2.117 206 D HA 0.019 4.657 4.640 -0.003 0.000 0.197 206 D C 2.234 178.543 176.300 0.014 0.000 0.987 206 D CA 1.314 55.319 54.000 0.008 0.000 0.829 206 D CB -0.695 40.110 40.800 0.008 0.000 0.961 206 D HN 0.500 nan 8.370 nan 0.000 0.460 207 A N 0.549 123.376 122.820 0.012 0.000 1.933 207 A HA -0.120 4.198 4.320 -0.003 0.000 0.218 207 A C 2.515 180.110 177.584 0.018 0.000 1.175 207 A CA 1.049 53.100 52.037 0.023 0.000 0.628 207 A CB -0.722 18.309 19.000 0.051 0.000 0.814 207 A HN 0.136 nan 8.150 nan 0.000 0.444 208 V N -0.021 119.901 119.914 0.013 0.000 2.287 208 V HA -0.220 3.898 4.120 -0.003 0.000 0.248 208 V C 2.825 178.943 176.094 0.039 0.000 1.053 208 V CA 2.089 64.408 62.300 0.032 0.000 1.027 208 V CB -1.424 30.415 31.823 0.025 0.000 0.646 208 V HN 0.615 nan 8.190 nan 0.000 0.447 209 G N -0.540 108.280 108.800 0.034 0.000 2.418 209 G HA2 -0.245 3.714 3.960 -0.003 0.000 0.217 209 G HA3 -0.245 3.714 3.960 -0.003 0.000 0.217 209 G C 1.752 176.672 174.900 0.033 0.000 1.158 209 G CA 0.722 45.845 45.100 0.038 0.000 0.771 209 G HN 0.427 nan 8.290 nan 0.000 0.545 210 R N 0.398 120.913 120.500 0.025 0.000 2.075 210 R HA 0.044 4.382 4.340 -0.003 0.000 0.232 210 R C 3.053 179.363 176.300 0.017 0.000 1.126 210 R CA 1.070 57.180 56.100 0.018 0.000 0.963 210 R CB -0.364 29.942 30.300 0.011 0.000 0.858 210 R HN 0.358 nan 8.270 nan 0.000 0.435 211 A N 1.349 124.180 122.820 0.019 0.000 1.877 211 A HA -0.134 4.184 4.320 -0.003 0.000 0.216 211 A C 2.388 179.994 177.584 0.036 0.000 1.186 211 A CA 1.766 53.813 52.037 0.018 0.000 0.620 211 A CB -0.720 18.293 19.000 0.021 0.000 0.822 211 A HN 0.396 nan 8.150 nan 0.000 0.443 212 A N -0.277 122.573 122.820 0.051 0.000 1.933 212 A HA 0.149 4.467 4.320 -0.003 0.000 0.218 212 A C 2.472 180.083 177.584 0.045 0.000 1.175 212 A CA 2.127 54.200 52.037 0.060 0.000 0.628 212 A CB -0.939 18.103 19.000 0.070 0.000 0.814 212 A HN 1.079 nan 8.150 nan 0.000 0.444 213 A N -1.126 121.716 122.820 0.037 0.000 1.930 213 A HA -0.039 4.280 4.320 -0.003 0.000 0.217 213 A C 2.282 179.880 177.584 0.022 0.000 1.175 213 A CA 2.159 54.213 52.037 0.029 0.000 0.627 213 A CB -1.080 17.935 19.000 0.026 0.000 0.815 213 A HN 0.426 nan 8.150 nan 0.000 0.443 214 T N -0.007 114.558 114.554 0.018 0.000 2.777 214 T HA -0.116 4.232 4.350 -0.003 0.000 0.266 214 T C 2.138 176.847 174.700 0.013 0.000 1.040 214 T CA 2.126 64.233 62.100 0.011 0.000 1.141 214 T CB -0.496 68.372 68.868 0.001 0.000 0.868 214 T HN 0.794 nan 8.240 nan 0.000 0.444 215 T N -1.445 113.122 114.554 0.021 0.000 3.035 215 T HA 0.368 4.716 4.350 -0.003 0.000 0.259 215 T C 1.914 176.631 174.700 0.027 0.000 1.078 215 T CA 0.961 63.076 62.100 0.026 0.000 1.132 215 T CB -0.166 68.725 68.868 0.039 0.000 0.900 215 T HN 0.536 nan 8.240 nan 0.000 0.480 216 G N 1.643 110.462 108.800 0.030 0.000 2.179 216 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.260 216 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.260 216 G C 0.131 175.051 174.900 0.034 0.000 0.977 216 G CA 0.125 45.242 45.100 0.029 0.000 0.641 216 G HN 0.843 nan 8.290 nan 0.000 0.533 217 R N 1.068 121.596 120.500 0.048 0.000 2.215 217 R HA 0.523 4.861 4.340 -0.003 0.000 0.336 217 R C -2.445 173.907 176.300 0.087 0.000 0.996 217 R CA -1.943 54.194 56.100 0.061 0.000 0.847 217 R CB 1.024 31.369 30.300 0.074 0.000 1.127 217 R HN 0.047 nan 8.270 nan 0.000 0.465 218 P HA -0.075 nan 4.420 nan 0.000 0.266 218 P C -1.308 176.081 177.300 0.148 0.000 1.193 218 P CA -0.141 63.024 63.100 0.108 0.000 0.770 218 P CB 0.516 32.280 31.700 0.107 0.000 0.836 219 L N 3.340 124.645 121.223 0.137 0.000 2.372 219 L HA 0.353 4.691 4.340 -0.003 0.000 0.273 219 L C -0.586 176.341 176.870 0.095 0.000 0.989 219 L CA -0.007 54.921 54.840 0.146 0.000 0.841 219 L CB 1.035 43.172 42.059 0.131 0.000 1.225 219 L HN 0.202 nan 8.230 nan 0.000 0.414 220 T N 5.847 120.460 114.554 0.098 0.000 2.737 220 T HA 0.369 4.717 4.350 -0.003 0.000 0.296 220 T C -0.349 174.157 174.700 -0.323 0.000 0.922 220 T CA -0.004 62.078 62.100 -0.029 0.000 1.079 220 T CB 0.382 69.302 68.868 0.088 0.000 0.892 220 T HN 0.435 nan 8.240 nan 0.000 0.514 221 L N 4.243 125.328 121.223 -0.230 0.000 2.264 221 L HA 0.563 4.901 4.340 -0.003 0.000 0.289 221 L C 0.197 176.870 176.870 -0.328 0.000 1.044 221 L CA -0.039 54.638 54.840 -0.272 0.000 0.807 221 L CB 1.368 43.371 42.059 -0.093 0.000 1.192 221 L HN 0.535 nan 8.230 nan 0.000 0.425 222 S N 6.387 121.809 115.700 -0.465 0.000 2.448 222 S HA 0.544 5.012 4.470 -0.003 0.000 0.320 222 S C -0.180 174.328 174.600 -0.152 0.000 1.071 222 S CA -0.701 57.332 58.200 -0.279 0.000 1.113 222 S CB 0.011 63.054 63.200 -0.261 0.000 0.972 222 S HN 0.576 nan 8.310 nan 0.000 0.465 223 I N 4.405 124.881 120.570 -0.156 0.000 2.396 223 I HA 0.229 4.397 4.170 -0.003 0.000 0.289 223 I C 0.114 176.086 176.117 -0.241 0.000 1.056 223 I CA -0.330 60.772 61.300 -0.330 0.000 1.365 223 I CB 0.864 38.533 38.000 -0.551 0.000 1.407 223 I HN 0.641 nan 8.210 nan 0.000 0.509 224 C N 8.165 127.360 119.300 -0.176 0.000 2.621 224 C HA 0.341 4.799 4.460 -0.003 0.000 0.272 224 C C 0.811 175.648 174.990 -0.254 0.000 1.119 224 C CA -0.518 58.465 59.018 -0.058 0.000 1.593 224 C CB -1.117 26.706 27.740 0.137 0.000 1.749 224 C HN 0.887 nan 8.230 nan 0.000 0.420 225 N N 1.957 120.359 118.700 -0.497 0.000 2.194 225 N HA 0.061 4.799 4.740 -0.003 0.000 0.231 225 N C 0.391 175.445 175.510 -0.761 0.000 1.247 225 N CA -0.130 52.327 53.050 -0.988 0.000 0.884 225 N CB 0.098 37.971 38.487 -1.023 0.000 1.146 225 N HN 0.809 nan 8.380 nan 0.000 0.516 226 W N -0.005 121.234 121.300 -0.101 0.000 3.160 226 W HA -0.180 4.478 4.660 -0.003 0.000 0.299 226 W C 1.035 177.606 176.519 0.086 0.000 1.141 226 W CA 0.389 57.697 57.345 -0.062 0.000 0.612 226 W CB -2.431 26.883 29.460 -0.243 0.000 2.186 226 W HN 0.503 nan 8.180 nan 0.000 1.364 227 G N -1.748 107.164 108.800 0.188 0.000 2.179 227 G HA2 -0.338 3.620 3.960 -0.003 0.000 0.260 227 G HA3 -0.338 3.620 3.960 -0.003 0.000 0.260 227 G C 0.012 175.000 174.900 0.148 0.000 0.977 227 G CA 0.322 45.534 45.100 0.186 0.000 0.641 227 G HN 0.261 nan 8.290 nan 0.000 0.533 228 Y N 0.710 120.979 120.300 -0.052 0.000 2.511 228 Y HA 0.392 4.940 4.550 -0.003 0.000 0.332 228 Y C 1.750 177.554 175.900 -0.159 0.000 1.177 228 Y CA 0.336 58.418 58.100 -0.029 0.000 1.422 228 Y CB 0.429 38.947 38.460 0.096 0.000 1.271 228 Y HN 0.531 nan 8.280 nan 0.000 0.550 229 Q N 1.041 120.837 119.800 -0.007 0.000 2.480 229 Q HA -0.342 3.996 4.340 -0.003 0.000 0.265 229 Q C -0.596 175.291 176.000 -0.189 0.000 1.072 229 Q CA 0.649 56.423 55.803 -0.048 0.000 1.018 229 Q CB -1.466 27.285 28.738 0.020 0.000 1.433 229 Q HN 0.831 nan 8.270 nan 0.000 0.513 230 N N -1.716 116.612 118.700 -0.621 0.000 2.671 230 N HA -0.159 4.579 4.740 -0.003 0.000 0.261 230 N C -1.896 172.561 175.510 -1.753 0.000 1.053 230 N CA 1.150 53.272 53.050 -1.546 0.000 0.732 230 N CB -0.628 37.233 38.487 -1.043 0.000 0.887 230 N HN 0.357 nan 8.380 nan 0.000 0.546 231 P HA -0.157 nan 4.420 nan 0.000 0.222 231 P C 1.423 177.498 177.300 -2.041 0.000 1.147 231 P CA 1.260 63.016 63.100 -2.241 0.000 0.790 231 P CB -0.239 30.582 31.700 -1.465 0.000 0.780 232 W N 0.659 121.265 121.300 -1.158 0.000 2.387 232 W HA -0.065 4.594 4.660 -0.003 0.000 0.272 232 W C 1.421 177.442 176.519 -0.829 0.000 1.224 232 W CA 0.561 57.340 57.345 -0.944 0.000 1.210 232 W CB -2.285 26.761 29.460 -0.690 0.000 1.125 232 W HN -0.131 nan 8.180 nan 0.000 0.572 233 N N 0.134 118.303 118.700 -0.885 0.000 2.331 233 N HA -0.100 4.638 4.740 -0.003 0.000 0.180 233 N C 1.372 176.640 175.510 -0.405 0.000 1.019 233 N CA 1.816 54.574 53.050 -0.486 0.000 0.881 233 N CB -0.700 37.589 38.487 -0.330 0.000 0.972 233 N HN 0.726 nan 8.380 nan 0.000 0.435 234 W N -2.210 118.755 121.300 -0.559 0.000 2.199 234 W HA 0.535 5.193 4.660 -0.003 0.000 0.264 234 W C 0.955 177.120 176.519 -0.590 0.000 0.923 234 W CA -0.002 57.050 57.345 -0.487 0.000 1.221 234 W CB -0.289 28.935 29.460 -0.393 0.000 0.974 234 W HN -0.104 nan 8.180 nan 0.000 0.562 235 A N 2.023 124.184 122.820 -1.098 0.000 1.970 235 A HA 0.398 4.716 4.320 -0.003 0.000 0.216 235 A C 1.485 178.546 177.584 -0.872 0.000 1.170 235 A CA 1.050 52.491 52.037 -0.994 0.000 0.645 235 A CB -0.990 17.096 19.000 -1.522 0.000 0.816 235 A HN 0.174 nan 8.150 nan 0.000 0.447 236 A N -1.046 121.101 122.820 -1.123 0.000 2.546 236 A HA 0.433 4.752 4.320 -0.003 0.000 0.243 236 A C 1.659 178.671 177.584 -0.954 0.000 1.063 236 A CA 0.704 52.149 52.037 -0.987 0.000 0.757 236 A CB -0.673 17.886 19.000 -0.734 0.000 0.991 236 A HN 2.010 nan 8.150 nan 0.000 0.503 237 G N 1.379 109.311 108.800 -1.447 0.000 2.268 237 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.240 237 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.240 237 G C 0.907 175.657 174.900 -0.250 0.000 1.010 237 G CA 0.789 45.496 45.100 -0.654 0.000 0.618 237 G HN 0.739 nan 8.290 nan 0.000 0.516 238 Q N -0.039 119.622 119.800 -0.233 0.000 2.259 238 Q HA 0.579 4.917 4.340 -0.003 0.000 0.201 238 Q C 1.074 177.072 176.000 -0.004 0.000 0.938 238 Q CA 1.161 56.921 55.803 -0.071 0.000 0.872 238 Q CB 0.529 29.251 28.738 -0.027 0.000 0.971 238 Q HN 1.144 nan 8.270 nan 0.000 0.494 239 A N 0.251 123.081 122.820 0.016 0.000 2.604 239 A HA 0.391 4.709 4.320 -0.003 0.000 0.295 239 A C -2.417 175.345 177.584 0.297 0.000 1.067 239 A CA -1.127 50.981 52.037 0.119 0.000 0.683 239 A CB 0.894 19.929 19.000 0.059 0.000 1.281 239 A HN -0.170 nan 8.150 nan 0.000 0.407 240 P HA 0.105 nan 4.420 nan 0.000 0.229 240 P C 0.057 177.482 177.300 0.209 0.000 1.160 240 P CA 0.866 64.152 63.100 0.311 0.000 0.777 240 P CB -0.317 31.498 31.700 0.192 0.000 0.814 241 L N -3.400 117.885 121.223 0.104 0.000 2.506 241 L HA 0.772 5.111 4.340 -0.003 0.000 0.257 241 L C -2.044 174.801 176.870 -0.043 0.000 0.964 241 L CA -1.353 53.399 54.840 -0.147 0.000 0.836 241 L CB 1.631 43.611 42.059 -0.131 0.000 1.384 241 L HN -0.123 nan 8.230 nan 0.000 0.410 242 W N 0.600 121.812 121.300 -0.147 0.000 3.097 242 W HA 0.698 5.357 4.660 -0.003 0.000 0.335 242 W C -0.863 175.553 176.519 -0.171 0.000 1.114 242 W CA -0.990 56.201 57.345 -0.256 0.000 1.231 242 W CB 0.885 30.084 29.460 -0.435 0.000 1.388 242 W HN 0.431 nan 8.180 nan 0.000 0.485 243 R N 2.077 122.561 120.500 -0.026 0.000 2.489 243 R HA 0.135 4.473 4.340 -0.003 0.000 0.287 243 R C 0.992 177.360 176.300 0.113 0.000 1.053 243 R CA 0.817 56.930 56.100 0.022 0.000 1.036 243 R CB 0.966 31.319 30.300 0.087 0.000 0.966 243 R HN 0.829 nan 8.270 nan 0.000 0.432 244 T N -2.604 112.035 114.554 0.142 0.000 3.054 244 T HA 0.093 4.441 4.350 -0.003 0.000 0.255 244 T C 0.726 175.616 174.700 0.316 0.000 1.035 244 T CA -0.013 62.266 62.100 0.298 0.000 0.941 244 T CB 0.171 69.171 68.868 0.221 0.000 1.026 244 T HN 0.565 nan 8.240 nan 0.000 0.533 245 S N 0.671 116.520 115.700 0.249 0.000 2.672 245 S HA 0.582 5.050 4.470 -0.003 0.000 0.271 245 S C -0.179 174.582 174.600 0.270 0.000 1.171 245 S CA -0.522 57.836 58.200 0.263 0.000 0.817 245 S CB 0.981 64.292 63.200 0.185 0.000 1.150 245 S HN 0.465 nan 8.310 nan 0.000 0.478 246 T N -0.274 114.427 114.554 0.245 0.000 2.701 246 T HA 0.356 4.704 4.350 -0.003 0.000 0.303 246 T C -0.419 174.348 174.700 0.112 0.000 1.030 246 T CA -0.221 61.970 62.100 0.150 0.000 1.010 246 T CB -0.576 68.389 68.868 0.161 0.000 1.007 246 T HN 0.603 nan 8.240 nan 0.000 0.532 247 D N -0.015 120.384 120.400 -0.001 0.000 2.414 247 D HA 0.113 4.751 4.640 -0.003 0.000 0.242 247 D C 1.185 177.443 176.300 -0.071 0.000 1.129 247 D CA -0.290 53.606 54.000 -0.173 0.000 0.885 247 D CB 0.566 40.958 40.800 -0.681 0.000 1.198 247 D HN 0.579 nan 8.370 nan 0.000 0.437 248 I N 1.401 121.973 120.570 0.002 0.000 2.493 248 I HA -0.024 4.144 4.170 -0.003 0.000 0.254 248 I C 0.570 176.687 176.117 0.001 0.000 1.160 248 I CA 0.970 62.309 61.300 0.065 0.000 1.445 248 I CB 0.295 38.378 38.000 0.139 0.000 1.086 248 I HN 0.318 nan 8.210 nan 0.000 0.433 249 I N -1.074 119.437 120.570 -0.099 0.000 2.692 249 I HA 0.257 4.425 4.170 -0.003 0.000 0.293 249 I C -1.602 174.383 176.117 -0.218 0.000 1.200 249 I CA -0.824 60.428 61.300 -0.081 0.000 1.036 249 I CB 1.744 39.697 38.000 -0.077 0.000 1.258 249 I HN -0.205 nan 8.210 nan 0.000 0.421 250 Y N 5.593 125.932 120.300 0.066 0.000 2.361 250 Y HA 0.303 4.851 4.550 -0.003 0.000 0.332 250 Y C -0.448 175.495 175.900 0.072 0.000 1.101 250 Y CA -0.130 58.032 58.100 0.102 0.000 1.137 250 Y CB 1.127 39.623 38.460 0.060 0.000 1.207 250 Y HN 0.422 nan 8.280 nan 0.000 0.463 251 Y N 2.092 122.432 120.300 0.067 0.000 2.650 251 Y HA 0.332 4.880 4.550 -0.003 0.000 0.331 251 Y C 1.047 176.932 175.900 -0.024 0.000 1.165 251 Y CA 1.318 59.370 58.100 -0.081 0.000 1.473 251 Y CB 0.161 38.511 38.460 -0.183 0.000 1.224 251 Y HN 0.834 nan 8.280 nan 0.000 0.533 252 G N 3.656 112.143 108.800 -0.522 0.000 2.259 252 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.217 252 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.217 252 G C 0.056 174.839 174.900 -0.196 0.000 1.001 252 G CA -0.139 44.731 45.100 -0.384 0.000 0.627 252 G HN 0.593 nan 8.290 nan 0.000 0.501 253 N N 1.004 119.639 118.700 -0.109 0.000 2.463 253 N HA 0.510 5.248 4.740 -0.003 0.000 0.270 253 N C 0.219 175.680 175.510 -0.081 0.000 1.205 253 N CA -0.120 52.897 53.050 -0.055 0.000 0.974 253 N CB 0.620 39.120 38.487 0.021 0.000 1.197 253 N HN 0.525 nan 8.380 nan 0.000 0.504 254 Q N 0.605 120.371 119.800 -0.056 0.000 2.259 254 Q HA 0.369 4.708 4.340 -0.003 0.000 0.246 254 Q C -2.097 173.866 176.000 -0.063 0.000 0.920 254 Q CA -1.517 54.249 55.803 -0.062 0.000 0.895 254 Q CB 0.558 29.278 28.738 -0.031 0.000 1.220 254 Q HN 0.287 nan 8.270 nan 0.000 0.439 255 P HA -0.067 nan 4.420 nan 0.000 0.264 255 P C -1.091 176.202 177.300 -0.011 0.000 1.183 255 P CA 0.316 63.265 63.100 -0.251 0.000 0.763 255 P CB 0.639 31.939 31.700 -0.667 0.000 0.807 256 S N 3.186 118.913 115.700 0.046 0.000 2.561 256 S HA 0.332 4.800 4.470 -0.003 0.000 0.303 256 S C 1.078 175.824 174.600 0.245 0.000 1.110 256 S CA -0.678 57.627 58.200 0.175 0.000 1.034 256 S CB 0.411 63.669 63.200 0.097 0.000 1.010 256 S HN 0.152 nan 8.310 nan 0.000 0.482 257 M N 3.212 122.963 119.600 0.251 0.000 2.159 257 M HA -0.050 4.428 4.480 -0.003 0.000 0.263 257 M C 1.973 178.329 176.300 0.093 0.000 1.063 257 M CA 1.603 56.980 55.300 0.128 0.000 1.110 257 M CB -1.950 30.629 32.600 -0.034 0.000 1.374 257 M HN 0.727 nan 8.290 nan 0.000 0.411 258 T N 0.066 114.674 114.554 0.090 0.000 2.684 258 T HA -0.137 4.211 4.350 -0.003 0.000 0.267 258 T C 2.088 176.851 174.700 0.106 0.000 1.036 258 T CA 2.014 64.167 62.100 0.088 0.000 1.148 258 T CB -0.276 68.639 68.868 0.079 0.000 0.863 258 T HN 0.417 nan 8.240 nan 0.000 0.436 259 S N 0.671 116.437 115.700 0.109 0.000 2.368 259 S HA -0.009 4.459 4.470 -0.003 0.000 0.225 259 S C 2.024 176.710 174.600 0.143 0.000 1.030 259 S CA 0.999 59.271 58.200 0.120 0.000 0.999 259 S CB -0.547 62.717 63.200 0.107 0.000 0.844 259 S HN 0.475 nan 8.310 nan 0.000 0.459 260 L N 0.978 122.274 121.223 0.122 0.000 1.990 260 L HA -0.115 4.223 4.340 -0.003 0.000 0.213 260 L C 2.257 179.282 176.870 0.259 0.000 1.072 260 L CA 1.755 56.678 54.840 0.137 0.000 0.755 260 L CB -0.347 41.685 42.059 -0.045 0.000 0.889 260 L HN 0.390 nan 8.230 nan 0.000 0.432 261 L N -1.004 120.328 121.223 0.183 0.000 2.083 261 L HA -0.205 4.133 4.340 -0.003 0.000 0.209 261 L C 2.791 179.799 176.870 0.231 0.000 1.083 261 L CA 1.297 56.265 54.840 0.214 0.000 0.752 261 L CB -0.583 41.562 42.059 0.143 0.000 0.899 261 L HN 0.337 nan 8.230 nan 0.000 0.433 262 S N 0.224 116.027 115.700 0.172 0.000 2.356 262 S HA -0.170 4.298 4.470 -0.003 0.000 0.223 262 S C 1.785 176.458 174.600 0.121 0.000 1.032 262 S CA 1.713 59.991 58.200 0.130 0.000 1.005 262 S CB -0.171 63.097 63.200 0.114 0.000 0.867 262 S HN 0.425 nan 8.310 nan 0.000 0.449 263 N N 0.591 119.394 118.700 0.172 0.000 2.120 263 N HA -0.043 4.695 4.740 -0.003 0.000 0.188 263 N C 1.347 176.879 175.510 0.038 0.000 1.024 263 N CA 1.374 54.512 53.050 0.145 0.000 0.852 263 N CB -0.648 37.993 38.487 0.258 0.000 1.003 263 N HN 0.510 nan 8.380 nan 0.000 0.424 264 F N 1.918 121.836 119.950 -0.055 0.000 2.069 264 F HA -0.192 4.334 4.527 -0.003 0.000 0.298 264 F C 1.775 177.462 175.800 -0.187 0.000 1.113 264 F CA 1.536 59.408 58.000 -0.212 0.000 1.214 264 F CB -0.408 38.547 39.000 -0.076 0.000 0.978 264 F HN -0.034 nan 8.300 nan 0.000 0.474 265 D N 0.012 120.315 120.400 -0.163 0.000 2.149 265 D HA -0.204 4.435 4.640 -0.003 0.000 0.198 265 D C 2.149 178.234 176.300 -0.359 0.000 0.990 265 D CA 1.501 55.338 54.000 -0.272 0.000 0.839 265 D CB -0.487 40.290 40.800 -0.038 0.000 0.948 265 D HN 0.522 nan 8.370 nan 0.000 0.460 266 Q N -0.629 119.029 119.800 -0.237 0.000 2.435 266 Q HA -0.012 4.326 4.340 -0.003 0.000 0.207 266 Q C 1.576 177.419 176.000 -0.261 0.000 0.956 266 Q CA 0.639 56.313 55.803 -0.215 0.000 0.917 266 Q CB 0.218 28.936 28.738 -0.034 0.000 0.997 266 Q HN 0.073 nan 8.270 nan 0.000 0.497 267 T N -0.002 114.337 114.554 -0.358 0.000 3.081 267 T HA 0.174 4.522 4.350 -0.003 0.000 0.250 267 T C 0.357 174.805 174.700 -0.421 0.000 1.100 267 T CA -0.140 61.780 62.100 -0.301 0.000 1.038 267 T CB 0.182 68.829 68.868 -0.368 0.000 0.962 267 T HN 0.087 nan 8.240 nan 0.000 0.516 268 L N 3.398 124.187 121.223 -0.723 0.000 2.385 268 L HA 0.299 4.637 4.340 -0.003 0.000 0.285 268 L C -0.212 176.051 176.870 -1.012 0.000 1.125 268 L CA 0.026 54.443 54.840 -0.704 0.000 0.890 268 L CB -0.024 41.664 42.059 -0.619 0.000 1.251 268 L HN 0.255 nan 8.230 nan 0.000 0.445 269 H N 3.943 122.799 119.070 -0.357 0.000 2.538 269 H HA 0.171 4.725 4.556 -0.003 0.000 0.239 269 H C -1.932 173.310 175.328 -0.143 0.000 1.401 269 H CA -1.303 54.545 56.048 -0.333 0.000 1.499 269 H CB 1.239 30.736 29.762 -0.442 0.000 1.624 269 H HN 0.397 nan 8.280 nan 0.000 0.524 270 P HA -0.109 nan 4.420 nan 0.000 0.223 270 P C 1.547 178.879 177.300 0.052 0.000 1.151 270 P CA 1.002 64.096 63.100 -0.011 0.000 0.787 270 P CB 0.075 31.759 31.700 -0.028 0.000 0.788 271 T N -3.544 111.048 114.554 0.063 0.000 3.055 271 T HA 0.206 4.554 4.350 -0.003 0.000 0.265 271 T C 1.848 176.658 174.700 0.183 0.000 1.111 271 T CA 0.786 62.951 62.100 0.108 0.000 1.118 271 T CB -0.609 68.298 68.868 0.065 0.000 0.909 271 T HN -0.004 nan 8.240 nan 0.000 0.501 272 A N 0.541 123.437 122.820 0.126 0.000 2.030 272 A HA 0.283 4.601 4.320 -0.003 0.000 0.215 272 A C 1.366 178.923 177.584 -0.045 0.000 1.164 272 A CA 0.017 52.094 52.037 0.067 0.000 0.697 272 A CB -0.211 18.871 19.000 0.137 0.000 0.827 272 A HN 0.633 nan 8.150 nan 0.000 0.457 273 Q N 1.019 120.807 119.800 -0.020 0.000 2.290 273 Q HA 0.498 4.837 4.340 -0.003 0.000 0.259 273 Q C -1.033 174.810 176.000 -0.262 0.000 0.941 273 Q CA -0.598 55.097 55.803 -0.179 0.000 0.912 273 Q CB 0.416 29.078 28.738 -0.127 0.000 1.244 273 Q HN 0.752 nan 8.270 nan 0.000 0.441 274 H N 0.366 119.359 119.070 -0.129 0.000 2.919 274 H HA 0.061 4.615 4.556 -0.003 0.000 0.270 274 H C -0.817 174.346 175.328 -0.275 0.000 1.412 274 H CA -0.204 55.735 56.048 -0.181 0.000 1.261 274 H CB 0.053 29.758 29.762 -0.094 0.000 1.850 274 H HN 0.753 nan 8.280 nan 0.000 0.478 275 T N -1.638 112.836 114.554 -0.133 0.000 3.708 275 T HA -0.177 4.171 4.350 -0.003 0.000 0.375 275 T C 1.289 175.658 174.700 -0.551 0.000 0.763 275 T CA 2.268 64.204 62.100 -0.273 0.000 1.915 275 T CB -2.393 66.321 68.868 -0.256 0.000 1.783 275 T HN 2.387 nan 8.240 nan 0.000 0.734 276 G N -0.763 107.745 108.800 -0.488 0.000 2.176 276 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.253 276 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.253 276 G C -0.228 174.409 174.900 -0.438 0.000 0.979 276 G CA 0.106 44.985 45.100 -0.369 0.000 0.641 276 G HN 1.051 nan 8.290 nan 0.000 0.530 277 Y N -0.099 119.961 120.300 -0.400 0.000 2.331 277 Y HA 0.732 5.280 4.550 -0.003 0.000 0.338 277 Y C 0.015 175.523 175.900 -0.654 0.000 0.992 277 Y CA -1.765 56.196 58.100 -0.231 0.000 1.121 277 Y CB 0.991 39.446 38.460 -0.009 0.000 1.184 277 Y HN 0.164 nan 8.280 nan 0.000 0.469 278 Y N 1.464 121.514 120.300 -0.418 0.000 2.425 278 Y HA 0.336 4.884 4.550 -0.003 0.000 0.344 278 Y C 0.074 175.072 175.900 -1.504 0.000 0.969 278 Y CA -1.407 56.274 58.100 -0.699 0.000 1.052 278 Y CB 1.443 39.657 38.460 -0.411 0.000 1.215 278 Y HN 0.553 nan 8.280 nan 0.000 0.451 279 N N 2.233 120.388 118.700 -0.909 0.000 2.492 279 N HA -0.019 4.719 4.740 -0.003 0.000 0.262 279 N C -1.064 174.098 175.510 -0.579 0.000 1.202 279 N CA 0.417 52.958 53.050 -0.848 0.000 0.926 279 N CB 0.811 39.123 38.487 -0.292 0.000 1.078 279 N HN 0.637 nan 8.380 nan 0.000 0.454 280 D N 1.842 121.927 120.400 -0.525 0.000 2.454 280 D HA 0.240 4.878 4.640 -0.003 0.000 0.247 280 D C -2.004 174.182 176.300 -0.189 0.000 1.129 280 D CA -2.072 51.746 54.000 -0.303 0.000 0.877 280 D CB 1.396 42.057 40.800 -0.231 0.000 1.082 280 D HN 0.234 nan 8.370 nan 0.000 0.537 281 P HA 0.140 nan 4.420 nan 0.000 0.253 281 P C -0.493 176.897 177.300 0.149 0.000 1.260 281 P CA 0.122 63.090 63.100 -0.219 0.000 0.800 281 P CB 0.314 31.543 31.700 -0.785 0.000 1.162 282 D N -1.406 119.121 120.400 0.212 0.000 10.542 282 D HA -0.087 4.551 4.640 -0.003 0.000 0.341 282 D C -0.338 176.212 176.300 0.418 0.000 3.143 282 D CA -0.151 54.022 54.000 0.288 0.000 2.650 282 D CB -0.923 40.027 40.800 0.250 0.000 1.264 282 D HN -0.120 nan 8.370 nan 0.000 0.951 283 M N 1.066 120.810 119.600 0.241 0.000 2.249 283 M HA 0.191 4.669 4.480 -0.003 0.000 0.340 283 M C 0.404 176.760 176.300 0.093 0.000 1.166 283 M CA 0.074 55.464 55.300 0.149 0.000 1.115 283 M CB 0.222 32.859 32.600 0.062 0.000 1.606 283 M HN 0.198 nan 8.290 nan 0.000 0.448 284 L N 3.512 124.702 121.223 -0.056 0.000 2.456 284 L HA 0.022 4.361 4.340 -0.003 0.000 0.272 284 L C 1.010 177.775 176.870 -0.175 0.000 1.189 284 L CA 0.323 54.968 54.840 -0.325 0.000 0.846 284 L CB 0.319 42.101 42.059 -0.462 0.000 1.111 284 L HN 0.849 nan 8.230 nan 0.000 0.475 285 M N 1.972 121.520 119.600 -0.086 0.000 2.428 285 M HA 0.100 4.578 4.480 -0.003 0.000 0.239 285 M C -0.035 176.154 176.300 -0.185 0.000 1.121 285 M CA -0.202 54.991 55.300 -0.179 0.000 1.019 285 M CB 0.466 32.841 32.600 -0.375 0.000 1.485 285 M HN 0.314 nan 8.290 nan 0.000 0.484 286 V N 2.012 121.821 119.914 -0.174 0.000 2.625 286 V HA -0.016 4.102 4.120 -0.003 0.000 0.305 286 V C 1.396 177.462 176.094 -0.047 0.000 1.055 286 V CA 1.694 63.950 62.300 -0.072 0.000 1.209 286 V CB -0.228 31.487 31.823 -0.180 0.000 0.877 286 V HN 0.881 nan 8.190 nan 0.000 0.489 287 G N 4.029 112.838 108.800 0.014 0.000 2.176 287 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.253 287 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.253 287 G C 0.173 175.057 174.900 -0.026 0.000 0.979 287 G CA 0.271 45.369 45.100 -0.004 0.000 0.641 287 G HN 0.558 nan 8.290 nan 0.000 0.530 288 M N 0.776 120.329 119.600 -0.077 0.000 2.241 288 M HA 0.318 4.796 4.480 -0.003 0.000 0.335 288 M C 0.566 176.820 176.300 -0.076 0.000 1.122 288 M CA -0.265 54.964 55.300 -0.117 0.000 1.164 288 M CB 0.377 32.850 32.600 -0.212 0.000 1.459 288 M HN 0.255 nan 8.290 nan 0.000 0.461 289 D N 0.545 120.899 120.400 -0.076 0.000 2.493 289 D HA 0.265 4.903 4.640 -0.003 0.000 0.240 289 D C 0.953 177.248 176.300 -0.008 0.000 1.142 289 D CA 1.923 55.900 54.000 -0.040 0.000 0.872 289 D CB 0.429 41.194 40.800 -0.058 0.000 1.173 289 D HN 0.713 nan 8.370 nan 0.000 0.467 290 G N 2.815 111.640 108.800 0.043 0.000 2.284 290 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.216 290 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.216 290 G C 0.217 175.243 174.900 0.211 0.000 1.009 290 G CA -0.278 44.877 45.100 0.092 0.000 0.625 290 G HN 0.466 nan 8.290 nan 0.000 0.501 291 F N 3.683 123.602 119.950 -0.052 0.000 2.456 291 F HA 0.534 5.059 4.527 -0.003 0.000 0.358 291 F C 1.607 177.370 175.800 -0.063 0.000 1.095 291 F CA -0.117 57.849 58.000 -0.057 0.000 1.216 291 F CB 1.024 39.993 39.000 -0.052 0.000 1.125 291 F HN 0.298 nan 8.300 nan 0.000 0.549 292 T N 0.510 115.023 114.554 -0.068 0.000 2.816 292 T HA 0.505 4.853 4.350 -0.003 0.000 0.282 292 T C 1.266 175.897 174.700 -0.115 0.000 0.993 292 T CA -0.282 61.762 62.100 -0.093 0.000 0.994 292 T CB 1.157 69.942 68.868 -0.138 0.000 1.025 292 T HN 0.602 nan 8.240 nan 0.000 0.529 293 A N 0.886 123.637 122.820 -0.116 0.000 1.908 293 A HA 0.112 4.431 4.320 -0.003 0.000 0.218 293 A C 2.650 180.092 177.584 -0.237 0.000 1.181 293 A CA 2.042 53.987 52.037 -0.152 0.000 0.627 293 A CB -1.604 17.312 19.000 -0.140 0.000 0.818 293 A HN 1.250 nan 8.150 nan 0.000 0.445 294 A N -0.847 121.832 122.820 -0.236 0.000 1.902 294 A HA -0.199 4.119 4.320 -0.003 0.000 0.217 294 A C 2.121 179.524 177.584 -0.301 0.000 1.181 294 A CA 1.639 53.512 52.037 -0.274 0.000 0.623 294 A CB -0.554 18.317 19.000 -0.214 0.000 0.818 294 A HN 0.659 nan 8.150 nan 0.000 0.443 295 Q N -0.358 119.234 119.800 -0.347 0.000 2.124 295 Q HA -0.157 4.181 4.340 -0.003 0.000 0.202 295 Q C 1.838 177.648 176.000 -0.316 0.000 0.977 295 Q CA 1.337 56.830 55.803 -0.517 0.000 0.850 295 Q CB -0.222 27.891 28.738 -1.042 0.000 0.901 295 Q HN 0.610 nan 8.270 nan 0.000 0.429 296 N N 0.757 119.365 118.700 -0.154 0.000 2.104 296 N HA -0.140 4.598 4.740 -0.003 0.000 0.190 296 N C 1.638 177.098 175.510 -0.084 0.000 1.024 296 N CA 1.216 54.269 53.050 0.004 0.000 0.853 296 N CB -0.166 38.314 38.487 -0.011 0.000 1.008 296 N HN 0.231 nan 8.380 nan 0.000 0.424 297 R N 0.016 120.340 120.500 -0.294 0.000 2.073 297 R HA -0.008 4.330 4.340 -0.003 0.000 0.234 297 R C 2.113 178.334 176.300 -0.131 0.000 1.134 297 R CA 1.508 57.330 56.100 -0.463 0.000 0.952 297 R CB -0.652 28.966 30.300 -1.135 0.000 0.850 297 R HN 0.200 nan 8.270 nan 0.000 0.433 298 T N 0.222 114.686 114.554 -0.149 0.000 2.720 298 T HA -0.203 4.145 4.350 -0.003 0.000 0.268 298 T C 1.627 176.344 174.700 0.027 0.000 1.037 298 T CA 1.533 63.593 62.100 -0.066 0.000 1.144 298 T CB -0.403 68.384 68.868 -0.136 0.000 0.864 298 T HN 0.314 nan 8.240 nan 0.000 0.444 299 H N 1.036 120.051 119.070 -0.091 0.000 2.319 299 H HA 0.013 4.567 4.556 -0.003 0.000 0.299 299 H C 2.173 177.456 175.328 -0.074 0.000 1.092 299 H CA 1.382 57.346 56.048 -0.139 0.000 1.302 299 H CB -0.370 29.307 29.762 -0.142 0.000 1.373 299 H HN 0.183 nan 8.280 nan 0.000 0.497 300 M N 0.330 120.016 119.600 0.143 0.000 2.117 300 M HA -0.152 4.326 4.480 -0.003 0.000 0.262 300 M C 1.929 178.393 176.300 0.274 0.000 1.065 300 M CA 1.016 56.434 55.300 0.196 0.000 1.114 300 M CB -0.970 31.820 32.600 0.315 0.000 1.361 300 M HN 0.271 nan 8.290 nan 0.000 0.408 301 N N 0.776 119.639 118.700 0.271 0.000 2.069 301 N HA -0.086 4.653 4.740 -0.003 0.000 0.191 301 N C 1.929 177.523 175.510 0.140 0.000 1.031 301 N CA 1.237 54.420 53.050 0.222 0.000 0.852 301 N CB -0.529 38.078 38.487 0.200 0.000 1.018 301 N HN 0.368 nan 8.380 nan 0.000 0.423 302 L N -0.951 120.331 121.223 0.098 0.000 2.072 302 L HA -0.046 4.292 4.340 -0.003 0.000 0.205 302 L C 2.420 179.477 176.870 0.311 0.000 1.079 302 L CA 0.728 55.516 54.840 -0.086 0.000 0.752 302 L CB -0.324 41.459 42.059 -0.460 0.000 0.906 302 L HN 0.299 nan 8.230 nan 0.000 0.436 303 W N 0.210 121.561 121.300 0.085 0.000 2.358 303 W HA -0.203 4.455 4.660 -0.003 0.000 0.303 303 W C 2.620 179.185 176.519 0.078 0.000 1.208 303 W CA 0.755 58.175 57.345 0.124 0.000 1.274 303 W CB -0.046 29.483 29.460 0.115 0.000 1.138 303 W HN 0.195 nan 8.180 nan 0.000 0.515 304 A N 0.194 123.181 122.820 0.279 0.000 1.898 304 A HA -0.204 4.114 4.320 -0.003 0.000 0.216 304 A C 1.765 179.416 177.584 0.111 0.000 1.181 304 A CA 1.496 53.621 52.037 0.147 0.000 0.620 304 A CB -0.886 18.181 19.000 0.112 0.000 0.819 304 A HN 0.186 nan 8.150 nan 0.000 0.442 305 I N -0.533 120.115 120.570 0.130 0.000 2.493 305 I HA -0.130 4.039 4.170 -0.003 0.000 0.254 305 I C 2.552 178.743 176.117 0.123 0.000 1.160 305 I CA 1.618 62.993 61.300 0.125 0.000 1.445 305 I CB -0.130 37.952 38.000 0.137 0.000 1.086 305 I HN 0.286 nan 8.210 nan 0.000 0.433 306 S N 0.017 115.791 115.700 0.123 0.000 2.436 306 S HA 0.059 4.528 4.470 -0.003 0.000 0.228 306 S C 1.648 176.264 174.600 0.027 0.000 1.014 306 S CA 0.855 59.073 58.200 0.030 0.000 0.950 306 S CB -0.510 62.644 63.200 -0.076 0.000 0.784 306 S HN 0.737 nan 8.310 nan 0.000 0.504 307 G N 0.677 109.501 108.800 0.040 0.000 2.160 307 G HA2 -0.129 3.829 3.960 -0.003 0.000 0.244 307 G HA3 -0.129 3.829 3.960 -0.003 0.000 0.244 307 G C 0.163 175.006 174.900 -0.096 0.000 1.022 307 G CA 0.276 45.392 45.100 0.025 0.000 0.741 307 G HN 1.018 nan 8.290 nan 0.000 0.508 308 A N 0.169 122.929 122.820 -0.099 0.000 2.406 308 A HA 0.697 5.015 4.320 -0.003 0.000 0.243 308 A C -1.257 176.251 177.584 -0.127 0.000 1.082 308 A CA -0.672 51.258 52.037 -0.178 0.000 0.786 308 A CB 0.228 19.016 19.000 -0.354 0.000 1.029 308 A HN 0.221 nan 8.150 nan 0.000 0.495 309 P HA 0.163 nan 4.420 nan 0.000 0.267 309 P C -0.903 176.478 177.300 0.135 0.000 1.200 309 P CA 0.402 63.476 63.100 -0.044 0.000 0.772 309 P CB 0.240 31.931 31.700 -0.015 0.000 0.855 310 L N 3.635 124.919 121.223 0.101 0.000 2.426 310 L HA 0.341 4.679 4.340 -0.003 0.000 0.255 310 L C -0.184 176.824 176.870 0.231 0.000 1.080 310 L CA -0.137 54.809 54.840 0.177 0.000 0.960 310 L CB -0.133 41.993 42.059 0.112 0.000 1.326 310 L HN 0.206 nan 8.230 nan 0.000 0.441 311 L N 2.856 124.187 121.223 0.180 0.000 2.297 311 L HA 0.527 4.865 4.340 -0.003 0.000 0.277 311 L C 0.806 177.730 176.870 0.090 0.000 1.040 311 L CA -0.379 54.549 54.840 0.146 0.000 0.867 311 L CB 1.400 43.489 42.059 0.050 0.000 1.244 311 L HN 0.550 nan 8.230 nan 0.000 0.433 312 A N 2.113 125.031 122.820 0.164 0.000 2.520 312 A HA 0.418 4.736 4.320 -0.003 0.000 0.235 312 A C 1.130 178.699 177.584 -0.025 0.000 1.065 312 A CA 0.606 52.706 52.037 0.105 0.000 0.764 312 A CB 0.351 19.474 19.000 0.204 0.000 1.002 312 A HN 0.881 nan 8.150 nan 0.000 0.502 313 G N 1.403 110.186 108.800 -0.028 0.000 3.342 313 G HA2 0.110 4.068 3.960 -0.003 0.000 0.252 313 G HA3 0.110 4.068 3.960 -0.003 0.000 0.252 313 G C 0.317 175.244 174.900 0.045 0.000 1.011 313 G CA 0.154 45.191 45.100 -0.105 0.000 0.869 313 G HN 0.876 nan 8.290 nan 0.000 0.514 314 N N 0.635 119.421 118.700 0.144 0.000 2.381 314 N HA 0.121 4.859 4.740 -0.003 0.000 0.254 314 N C -1.194 174.486 175.510 0.283 0.000 1.264 314 N CA -0.429 52.693 53.050 0.121 0.000 0.942 314 N CB 1.012 39.524 38.487 0.043 0.000 1.190 314 N HN -0.134 nan 8.380 nan 0.000 0.495 315 D N 0.404 120.874 120.400 0.117 0.000 2.352 315 D HA 0.104 4.742 4.640 -0.003 0.000 0.245 315 D C 1.027 177.378 176.300 0.086 0.000 1.224 315 D CA -0.285 53.800 54.000 0.141 0.000 0.879 315 D CB 0.189 40.987 40.800 -0.004 0.000 1.057 315 D HN 0.503 nan 8.370 nan 0.000 0.491 316 L N 2.851 124.101 121.223 0.046 0.000 2.275 316 L HA -0.107 4.231 4.340 -0.003 0.000 0.215 316 L C 2.413 179.254 176.870 -0.048 0.000 1.119 316 L CA 1.194 56.000 54.840 -0.057 0.000 0.790 316 L CB -0.524 41.421 42.059 -0.189 0.000 0.919 316 L HN 0.485 nan 8.230 nan 0.000 0.443 317 T N -4.439 110.104 114.554 -0.018 0.000 2.995 317 T HA -0.101 4.247 4.350 -0.003 0.000 0.269 317 T C 1.436 176.129 174.700 -0.011 0.000 1.091 317 T CA 1.282 63.373 62.100 -0.015 0.000 1.128 317 T CB -0.398 68.473 68.868 0.005 0.000 0.891 317 T HN 0.404 nan 8.240 nan 0.000 0.492 318 T N -1.232 113.318 114.554 -0.006 0.000 3.182 318 T HA 0.454 4.803 4.350 -0.003 0.000 0.277 318 T C 0.217 174.905 174.700 -0.019 0.000 1.013 318 T CA -0.711 61.381 62.100 -0.013 0.000 0.900 318 T CB -0.460 68.401 68.868 -0.011 0.000 1.098 318 T HN 0.430 nan 8.240 nan 0.000 0.543 319 M N 4.085 123.670 119.600 -0.025 0.000 2.238 319 M HA 0.274 4.752 4.480 -0.003 0.000 0.350 319 M C 0.538 176.819 176.300 -0.031 0.000 1.321 319 M CA -0.130 55.151 55.300 -0.031 0.000 1.097 319 M CB 0.782 33.354 32.600 -0.045 0.000 1.713 319 M HN 0.439 nan 8.290 nan 0.000 0.455 320 T N 1.659 116.197 114.554 -0.027 0.000 2.860 320 T HA 0.180 4.528 4.350 -0.003 0.000 0.299 320 T C 1.181 175.865 174.700 -0.027 0.000 1.045 320 T CA -0.290 61.795 62.100 -0.025 0.000 1.071 320 T CB 0.780 69.635 68.868 -0.022 0.000 0.985 320 T HN 0.844 nan 8.240 nan 0.000 0.537 321 S N 0.529 116.215 115.700 -0.022 0.000 2.370 321 S HA -0.203 4.266 4.470 -0.003 0.000 0.226 321 S C 1.844 176.437 174.600 -0.013 0.000 1.033 321 S CA 1.235 59.424 58.200 -0.019 0.000 1.011 321 S CB -0.747 62.445 63.200 -0.014 0.000 0.852 321 S HN 0.891 nan 8.310 nan 0.000 0.457 322 E N 1.122 121.314 120.200 -0.013 0.000 2.072 322 E HA -0.124 4.224 4.350 -0.003 0.000 0.191 322 E C 1.904 178.499 176.600 -0.008 0.000 0.985 322 E CA 1.551 57.945 56.400 -0.009 0.000 0.801 322 E CB -0.323 29.363 29.700 -0.022 0.000 0.750 322 E HN 0.572 nan 8.360 nan 0.000 0.452 323 T N 0.522 115.064 114.554 -0.019 0.000 2.708 323 T HA -0.167 4.181 4.350 -0.003 0.000 0.266 323 T C 1.852 176.538 174.700 -0.023 0.000 1.037 323 T CA 1.330 63.417 62.100 -0.021 0.000 1.146 323 T CB -0.381 68.471 68.868 -0.026 0.000 0.865 323 T HN 0.347 nan 8.240 nan 0.000 0.435 324 A N 1.406 124.203 122.820 -0.038 0.000 1.908 324 A HA 0.030 4.348 4.320 -0.003 0.000 0.218 324 A C 2.636 180.209 177.584 -0.018 0.000 1.181 324 A CA 2.007 54.008 52.037 -0.061 0.000 0.627 324 A CB -1.409 17.549 19.000 -0.069 0.000 0.818 324 A HN 0.527 nan 8.150 nan 0.000 0.445 325 G N -0.366 108.445 108.800 0.018 0.000 2.432 325 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.219 325 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.219 325 G C 1.503 176.496 174.900 0.156 0.000 1.135 325 G CA 1.093 46.234 45.100 0.068 0.000 0.767 325 G HN 0.496 nan 8.290 nan 0.000 0.550 326 I N 0.136 120.803 120.570 0.162 0.000 2.233 326 I HA -0.052 4.116 4.170 -0.003 0.000 0.243 326 I C 2.619 178.902 176.117 0.277 0.000 1.093 326 I CA 0.516 61.995 61.300 0.298 0.000 1.380 326 I CB -0.132 37.920 38.000 0.086 0.000 1.067 326 I HN 0.100 nan 8.210 nan 0.000 0.413 327 L N 0.405 121.699 121.223 0.118 0.000 2.127 327 L HA -0.210 4.129 4.340 -0.003 0.000 0.211 327 L C 2.034 179.019 176.870 0.192 0.000 1.089 327 L CA 1.460 56.360 54.840 0.099 0.000 0.757 327 L CB -0.398 41.584 42.059 -0.130 0.000 0.899 327 L HN 0.197 nan 8.230 nan 0.000 0.434 328 K N -0.637 119.836 120.400 0.123 0.000 2.374 328 K HA 0.035 4.353 4.320 -0.003 0.000 0.196 328 K C 0.518 177.152 176.600 0.057 0.000 1.023 328 K CA -0.303 56.052 56.287 0.114 0.000 1.103 328 K CB 0.008 32.535 32.500 0.045 0.000 0.848 328 K HN 0.133 nan 8.250 nan 0.000 0.528 329 N N 3.081 121.801 118.700 0.033 0.000 2.417 329 N HA -0.041 4.697 4.740 -0.003 0.000 0.272 329 N C -1.731 173.698 175.510 -0.135 0.000 1.304 329 N CA -0.970 52.012 53.050 -0.113 0.000 0.906 329 N CB 1.058 39.308 38.487 -0.396 0.000 1.135 329 N HN -0.002 nan 8.380 nan 0.000 0.483 330 P HA -0.062 nan 4.420 nan 0.000 0.222 330 P C 0.491 177.716 177.300 -0.126 0.000 1.153 330 P CA 1.104 64.147 63.100 -0.094 0.000 0.798 330 P CB 0.478 32.136 31.700 -0.069 0.000 0.796 331 E N -0.124 119.969 120.200 -0.179 0.000 2.072 331 E HA -0.053 4.295 4.350 -0.003 0.000 0.190 331 E C 2.099 178.577 176.600 -0.204 0.000 0.982 331 E CA 0.817 57.106 56.400 -0.186 0.000 0.803 331 E CB -0.401 29.171 29.700 -0.213 0.000 0.755 331 E HN 0.066 nan 8.360 nan 0.000 0.453 332 V N 1.698 121.438 119.914 -0.289 0.000 2.358 332 V HA -0.225 3.893 4.120 -0.003 0.000 0.246 332 V C 2.280 178.308 176.094 -0.110 0.000 1.047 332 V CA 1.328 63.490 62.300 -0.230 0.000 1.035 332 V CB -0.376 31.246 31.823 -0.335 0.000 0.658 332 V HN 0.228 nan 8.190 nan 0.000 0.452 333 I N 0.714 121.221 120.570 -0.105 0.000 2.208 333 I HA -0.273 3.895 4.170 -0.003 0.000 0.245 333 I C 2.667 178.734 176.117 -0.084 0.000 1.097 333 I CA 1.607 62.856 61.300 -0.086 0.000 1.363 333 I CB -0.576 37.365 38.000 -0.098 0.000 1.051 333 I HN 0.293 nan 8.210 nan 0.000 0.413 334 A N 0.217 122.986 122.820 -0.085 0.000 1.933 334 A HA -0.144 4.174 4.320 -0.003 0.000 0.218 334 A C 2.431 179.983 177.584 -0.054 0.000 1.175 334 A CA 1.662 53.657 52.037 -0.069 0.000 0.628 334 A CB -0.865 18.093 19.000 -0.070 0.000 0.814 334 A HN 0.258 nan 8.150 nan 0.000 0.444 335 V N 0.305 120.185 119.914 -0.056 0.000 2.307 335 V HA -0.264 3.854 4.120 -0.003 0.000 0.245 335 V C 2.315 178.402 176.094 -0.012 0.000 1.045 335 V CA 2.474 64.756 62.300 -0.030 0.000 1.024 335 V CB -0.791 31.015 31.823 -0.028 0.000 0.651 335 V HN 0.771 nan 8.190 nan 0.000 0.449 336 D N -0.502 119.889 120.400 -0.016 0.000 2.123 336 D HA -0.200 4.439 4.640 -0.003 0.000 0.196 336 D C 1.921 178.193 176.300 -0.047 0.000 0.992 336 D CA 1.106 55.097 54.000 -0.014 0.000 0.833 336 D CB 0.007 40.799 40.800 -0.014 0.000 0.954 336 D HN 0.355 nan 8.370 nan 0.000 0.455 337 Q N 0.582 120.347 119.800 -0.058 0.000 2.212 337 Q HA 0.079 4.417 4.340 -0.003 0.000 0.213 337 Q C -0.611 175.376 176.000 -0.022 0.000 0.874 337 Q CA -0.081 55.684 55.803 -0.064 0.000 0.965 337 Q CB 0.105 28.794 28.738 -0.081 0.000 1.074 337 Q HN 0.452 nan 8.270 nan 0.000 0.473 338 D N -0.146 120.253 120.400 -0.003 0.000 2.525 338 D HA -0.051 4.587 4.640 -0.003 0.000 0.235 338 D C 0.697 177.013 176.300 0.027 0.000 1.137 338 D CA 0.365 54.370 54.000 0.009 0.000 0.868 338 D CB 0.871 41.680 40.800 0.014 0.000 1.180 338 D HN -0.110 nan 8.370 nan 0.000 0.465 339 S N 2.764 118.473 115.700 0.015 0.000 2.469 339 S HA -0.133 4.335 4.470 -0.003 0.000 0.238 339 S C 1.730 176.345 174.600 0.026 0.000 0.998 339 S CA 0.523 58.735 58.200 0.021 0.000 0.957 339 S CB -0.077 63.129 63.200 0.010 0.000 0.764 339 S HN 0.504 nan 8.310 nan 0.000 0.514 340 R N 0.396 120.910 120.500 0.023 0.000 2.240 340 R HA 0.091 4.429 4.340 -0.003 0.000 0.203 340 R C 1.493 177.804 176.300 0.018 0.000 1.011 340 R CA 0.696 56.806 56.100 0.016 0.000 1.007 340 R CB -0.136 30.170 30.300 0.010 0.000 0.911 340 R HN 0.433 nan 8.270 nan 0.000 0.468 341 G N 0.616 109.449 108.800 0.054 0.000 2.155 341 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.257 341 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.257 341 G C 0.003 174.912 174.900 0.016 0.000 0.983 341 G CA 0.366 45.508 45.100 0.070 0.000 0.676 341 G HN 0.203 nan 8.290 nan 0.000 0.528 342 L N -0.230 121.013 121.223 0.033 0.000 2.439 342 L HA 0.499 4.838 4.340 -0.003 0.000 0.261 342 L C 0.914 177.807 176.870 0.039 0.000 1.153 342 L CA -0.584 54.270 54.840 0.022 0.000 0.808 342 L CB 1.038 43.109 42.059 0.021 0.000 1.126 342 L HN 0.277 nan 8.230 nan 0.000 0.460 343 Q N 0.301 120.113 119.800 0.020 0.000 2.241 343 Q HA 0.374 4.712 4.340 -0.003 0.000 0.254 343 Q C -0.028 175.988 176.000 0.028 0.000 0.917 343 Q CA -0.555 55.258 55.803 0.016 0.000 0.919 343 Q CB 1.732 30.454 28.738 -0.026 0.000 1.237 343 Q HN 0.773 nan 8.270 nan 0.000 0.434 344 G N 1.342 110.173 108.800 0.052 0.000 2.594 344 G HA2 0.379 4.338 3.960 -0.003 0.000 0.243 344 G HA3 0.379 4.338 3.960 -0.003 0.000 0.243 344 G C -0.520 174.442 174.900 0.105 0.000 1.229 344 G CA 0.044 45.203 45.100 0.098 0.000 0.843 344 G HN 0.630 nan 8.290 nan 0.000 0.578 345 V N -1.347 118.665 119.914 0.162 0.000 3.114 345 V HA 0.655 4.774 4.120 -0.003 0.000 0.308 345 V C -0.206 176.009 176.094 0.201 0.000 1.168 345 V CA -1.679 60.709 62.300 0.146 0.000 1.015 345 V CB 1.859 33.710 31.823 0.046 0.000 1.050 345 V HN 0.793 nan 8.190 nan 0.000 0.433 346 K N 1.128 121.582 120.400 0.090 0.000 2.379 346 K HA 0.432 4.750 4.320 -0.003 0.000 0.284 346 K C 0.621 177.138 176.600 -0.139 0.000 1.044 346 K CA 0.412 56.537 56.287 -0.269 0.000 0.974 346 K CB 1.445 33.739 32.500 -0.343 0.000 0.962 346 K HN 1.027 nan 8.250 nan 0.000 0.474 347 V N 0.580 120.409 119.914 -0.143 0.000 3.645 347 V HA 0.474 4.592 4.120 -0.003 0.000 0.275 347 V C 0.068 176.131 176.094 -0.051 0.000 1.356 347 V CA 0.327 62.596 62.300 -0.051 0.000 1.051 347 V CB 0.246 32.076 31.823 0.011 0.000 0.828 347 V HN 0.635 nan 8.190 nan 0.000 0.441 348 A N 0.175 122.935 122.820 -0.100 0.000 2.589 348 A HA 0.800 5.118 4.320 -0.003 0.000 0.296 348 A C -0.773 176.754 177.584 -0.095 0.000 1.062 348 A CA -0.122 51.875 52.037 -0.067 0.000 0.686 348 A CB 1.711 20.697 19.000 -0.023 0.000 1.282 348 A HN 0.304 nan 8.150 nan 0.000 0.404 349 E N 1.337 121.500 120.200 -0.062 0.000 3.428 349 E HA 0.192 4.540 4.350 -0.003 0.000 0.286 349 E C -0.800 175.778 176.600 -0.037 0.000 1.204 349 E CA -0.307 56.063 56.400 -0.050 0.000 1.015 349 E CB 0.397 30.069 29.700 -0.047 0.000 1.370 349 E HN 0.601 nan 8.360 nan 0.000 0.391 350 D N 0.468 120.847 120.400 -0.035 0.000 2.178 350 D HA -0.044 4.594 4.640 -0.003 0.000 0.201 350 D C 0.146 176.419 176.300 -0.044 0.000 0.980 350 D CA 1.213 55.191 54.000 -0.036 0.000 0.842 350 D CB 0.384 41.165 40.800 -0.032 0.000 0.948 350 D HN 0.208 nan 8.370 nan 0.000 0.472 351 T N 0.113 114.637 114.554 -0.050 0.000 2.841 351 T HA 0.291 4.639 4.350 -0.003 0.000 0.283 351 T C -0.266 174.404 174.700 -0.049 0.000 1.000 351 T CA -0.687 61.374 62.100 -0.065 0.000 0.977 351 T CB 2.012 70.816 68.868 -0.106 0.000 0.979 351 T HN -0.200 nan 8.240 nan 0.000 0.446 352 T N 2.595 117.126 114.554 -0.038 0.000 2.866 352 T HA 0.347 4.695 4.350 -0.003 0.000 0.293 352 T C 1.546 176.245 174.700 -0.002 0.000 1.005 352 T CA 1.111 63.205 62.100 -0.010 0.000 1.162 352 T CB 0.027 68.896 68.868 0.001 0.000 0.968 352 T HN 1.085 nan 8.240 nan 0.000 0.530 353 G N 2.749 111.565 108.800 0.026 0.000 2.179 353 G HA2 -0.226 3.733 3.960 -0.003 0.000 0.260 353 G HA3 -0.226 3.733 3.960 -0.003 0.000 0.260 353 G C 0.078 175.010 174.900 0.053 0.000 0.977 353 G CA -0.294 44.837 45.100 0.051 0.000 0.641 353 G HN 0.690 nan 8.290 nan 0.000 0.533 354 L N 1.134 122.370 121.223 0.022 0.000 2.301 354 L HA 0.545 4.883 4.340 -0.003 0.000 0.278 354 L C 0.169 177.052 176.870 0.021 0.000 1.022 354 L CA -0.460 54.396 54.840 0.028 0.000 0.854 354 L CB 1.340 43.392 42.059 -0.011 0.000 1.226 354 L HN 0.205 nan 8.230 nan 0.000 0.429 355 Q N 2.284 122.114 119.800 0.049 0.000 2.377 355 Q HA 0.788 5.126 4.340 -0.003 0.000 0.271 355 Q C -0.758 175.242 176.000 -0.000 0.000 1.077 355 Q CA -0.740 55.054 55.803 -0.015 0.000 0.820 355 Q CB 3.183 31.923 28.738 0.003 0.000 1.347 355 Q HN 0.695 nan 8.270 nan 0.000 0.444 356 A N 2.135 124.894 122.820 -0.102 0.000 2.318 356 A HA 0.661 4.979 4.320 -0.003 0.000 0.317 356 A C -1.674 175.808 177.584 -0.169 0.000 1.159 356 A CA -0.396 51.630 52.037 -0.019 0.000 0.799 356 A CB 0.454 19.477 19.000 0.038 0.000 1.194 356 A HN 0.638 nan 8.150 nan 0.000 0.479 357 Y N 0.968 121.337 120.300 0.115 0.000 2.360 357 Y HA 0.595 5.143 4.550 -0.003 0.000 0.337 357 Y C 0.947 176.909 175.900 0.103 0.000 1.039 357 Y CA -0.099 58.075 58.100 0.123 0.000 1.109 357 Y CB 2.443 41.010 38.460 0.179 0.000 1.201 357 Y HN 0.805 nan 8.280 nan 0.000 0.458 358 G N 2.480 111.407 108.800 0.211 0.000 2.524 358 G HA2 0.596 4.554 3.960 -0.003 0.000 0.310 358 G HA3 0.596 4.554 3.960 -0.003 0.000 0.310 358 G C -1.835 173.137 174.900 0.119 0.000 1.279 358 G CA -0.971 44.212 45.100 0.138 0.000 0.974 358 G HN 0.468 nan 8.290 nan 0.000 0.484 359 K N 1.672 122.122 120.400 0.083 0.000 2.426 359 K HA 0.512 4.831 4.320 -0.003 0.000 0.254 359 K C -0.838 175.778 176.600 0.027 0.000 0.936 359 K CA -0.636 55.688 56.287 0.061 0.000 0.801 359 K CB 2.301 34.841 32.500 0.067 0.000 1.139 359 K HN 0.262 nan 8.250 nan 0.000 0.424 360 V N 6.284 126.210 119.914 0.020 0.000 2.439 360 V HA 0.147 4.265 4.120 -0.003 0.000 0.271 360 V C 0.406 176.500 176.094 0.001 0.000 1.040 360 V CA -0.250 62.051 62.300 0.002 0.000 1.002 360 V CB 0.188 32.012 31.823 0.002 0.000 1.000 360 V HN 0.665 nan 8.190 nan 0.000 0.477 361 L N 3.910 125.125 121.223 -0.013 0.000 2.448 361 L HA 0.503 4.841 4.340 -0.003 0.000 0.258 361 L C 0.997 177.858 176.870 -0.014 0.000 1.104 361 L CA -0.559 54.273 54.840 -0.012 0.000 0.800 361 L CB 1.227 43.272 42.059 -0.025 0.000 1.241 361 L HN 0.734 nan 8.230 nan 0.000 0.472 362 S N -0.202 115.491 115.700 -0.011 0.000 2.566 362 S HA 0.449 4.918 4.470 -0.003 0.000 0.280 362 S C 0.424 175.013 174.600 -0.019 0.000 1.343 362 S CA -0.098 58.096 58.200 -0.010 0.000 1.036 362 S CB 0.725 63.921 63.200 -0.007 0.000 0.866 362 S HN 1.201 nan 8.310 nan 0.000 0.526 363 G N 1.041 109.832 108.800 -0.016 0.000 2.642 363 G HA2 0.081 4.039 3.960 -0.003 0.000 0.231 363 G HA3 0.081 4.039 3.960 -0.003 0.000 0.231 363 G C -0.154 174.731 174.900 -0.024 0.000 1.338 363 G CA -0.053 45.035 45.100 -0.020 0.000 0.883 363 G HN 2.213 nan 8.290 nan 0.000 0.570 364 T N -3.362 111.174 114.554 -0.030 0.000 2.876 364 T HA 0.716 5.064 4.350 -0.003 0.000 0.289 364 T C 1.194 175.863 174.700 -0.051 0.000 1.014 364 T CA 0.803 62.882 62.100 -0.034 0.000 0.986 364 T CB 1.533 70.386 68.868 -0.026 0.000 1.021 364 T HN 2.816 nan 8.240 nan 0.000 0.458 365 G N 2.273 111.034 108.800 -0.064 0.000 2.160 365 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.251 365 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.251 365 G C -0.313 174.510 174.900 -0.128 0.000 1.008 365 G CA -0.343 44.697 45.100 -0.100 0.000 0.724 365 G HN 0.941 nan 8.290 nan 0.000 0.514 366 N N 0.300 118.938 118.700 -0.102 0.000 2.342 366 N HA 0.681 5.419 4.740 -0.003 0.000 0.293 366 N C -0.153 175.300 175.510 -0.094 0.000 1.026 366 N CA -0.484 52.504 53.050 -0.104 0.000 0.857 366 N CB 1.527 39.971 38.487 -0.073 0.000 1.256 366 N HN 0.196 nan 8.380 nan 0.000 0.484 367 R N 0.474 120.907 120.500 -0.110 0.000 2.725 367 R HA 0.705 5.043 4.340 -0.003 0.000 0.277 367 R C -0.823 175.442 176.300 -0.057 0.000 0.987 367 R CA -0.836 55.218 56.100 -0.076 0.000 0.901 367 R CB 1.942 32.185 30.300 -0.095 0.000 1.207 367 R HN 0.615 nan 8.270 nan 0.000 0.463 368 A N 1.373 124.183 122.820 -0.016 0.000 2.306 368 A HA 0.759 5.077 4.320 -0.003 0.000 0.330 368 A C -0.673 176.939 177.584 0.047 0.000 1.146 368 A CA -0.584 51.456 52.037 0.005 0.000 0.827 368 A CB 1.290 20.299 19.000 0.015 0.000 1.178 368 A HN 0.322 nan 8.150 nan 0.000 0.490 369 V N 1.770 121.724 119.914 0.067 0.000 2.686 369 V HA 0.451 4.570 4.120 -0.003 0.000 0.306 369 V C -0.718 175.464 176.094 0.148 0.000 1.065 369 V CA -0.521 61.852 62.300 0.122 0.000 0.894 369 V CB 1.847 33.747 31.823 0.129 0.000 1.004 369 V HN 0.680 nan 8.190 nan 0.000 0.424 370 V N 5.764 125.799 119.914 0.203 0.000 2.417 370 V HA 0.491 4.610 4.120 -0.003 0.000 0.291 370 V C -0.275 175.968 176.094 0.247 0.000 1.024 370 V CA -0.523 61.899 62.300 0.203 0.000 0.861 370 V CB 1.695 33.610 31.823 0.155 0.000 0.985 370 V HN 0.642 nan 8.190 nan 0.000 0.436 371 L N 5.941 127.284 121.223 0.199 0.000 2.257 371 L HA 0.566 4.904 4.340 -0.003 0.000 0.290 371 L C -0.639 176.327 176.870 0.160 0.000 1.044 371 L CA -0.421 54.528 54.840 0.183 0.000 0.810 371 L CB 1.335 43.495 42.059 0.167 0.000 1.193 371 L HN 0.446 nan 8.230 nan 0.000 0.425 372 L N 4.495 125.825 121.223 0.180 0.000 2.356 372 L HA 0.511 4.849 4.340 -0.003 0.000 0.277 372 L C -0.575 176.367 176.870 0.121 0.000 0.996 372 L CA -0.129 54.798 54.840 0.145 0.000 0.822 372 L CB 1.641 43.820 42.059 0.200 0.000 1.256 372 L HN 0.441 nan 8.230 nan 0.000 0.413 373 N N 4.080 122.830 118.700 0.084 0.000 2.558 373 N HA 0.336 5.074 4.740 -0.003 0.000 0.242 373 N C 0.047 175.598 175.510 0.069 0.000 0.979 373 N CA -0.272 52.829 53.050 0.085 0.000 0.931 373 N CB 0.954 39.490 38.487 0.082 0.000 1.122 373 N HN 0.671 nan 8.380 nan 0.000 0.508 374 R N 0.631 121.179 120.500 0.081 0.000 2.317 374 R HA 0.060 4.398 4.340 -0.003 0.000 0.208 374 R C 0.704 177.045 176.300 0.067 0.000 0.914 374 R CA 0.111 56.253 56.100 0.070 0.000 1.060 374 R CB 0.079 30.432 30.300 0.088 0.000 1.015 374 R HN 0.584 nan 8.270 nan 0.000 0.498 375 T N -1.989 112.615 114.554 0.084 0.000 2.810 375 T HA 0.082 4.430 4.350 -0.003 0.000 0.277 375 T C 1.330 176.073 174.700 0.072 0.000 0.973 375 T CA -0.438 61.719 62.100 0.095 0.000 0.949 375 T CB 1.616 70.579 68.868 0.160 0.000 1.075 375 T HN 0.051 nan 8.240 nan 0.000 0.537 376 S N -0.787 114.953 115.700 0.067 0.000 2.593 376 S HA 0.513 4.981 4.470 -0.003 0.000 0.217 376 S C 0.540 175.140 174.600 -0.000 0.000 0.966 376 S CA -0.316 57.902 58.200 0.029 0.000 0.914 376 S CB -0.492 62.724 63.200 0.027 0.000 0.776 376 S HN 1.165 nan 8.310 nan 0.000 0.523 377 A N 0.698 123.512 122.820 -0.009 0.000 2.498 377 A HA 0.864 5.182 4.320 -0.003 0.000 0.298 377 A C -0.159 177.242 177.584 -0.305 0.000 1.075 377 A CA -0.548 51.391 52.037 -0.164 0.000 0.714 377 A CB 0.995 19.864 19.000 -0.219 0.000 1.299 377 A HN 0.725 nan 8.150 nan 0.000 0.407 378 A N 1.733 124.369 122.820 -0.308 0.000 2.477 378 A HA 0.582 4.900 4.320 -0.003 0.000 0.246 378 A C -0.104 177.201 177.584 -0.464 0.000 1.078 378 A CA 0.368 52.254 52.037 -0.253 0.000 0.770 378 A CB -0.135 18.776 19.000 -0.149 0.000 1.011 378 A HN 0.842 nan 8.150 nan 0.000 0.494 379 H N 0.581 119.649 119.070 -0.003 0.000 3.046 379 H HA 0.225 4.780 4.556 -0.003 0.000 0.361 379 H C -1.356 173.969 175.328 -0.005 0.000 1.235 379 H CA -0.844 55.201 56.048 -0.005 0.000 1.146 379 H CB 1.467 31.228 29.762 -0.001 0.000 1.859 379 H HN 0.677 nan 8.280 nan 0.000 0.548 380 D N 1.801 122.279 120.400 0.129 0.000 2.414 380 D HA 0.258 4.896 4.640 -0.003 0.000 0.242 380 D C 0.330 176.660 176.300 0.051 0.000 1.129 380 D CA 0.365 54.397 54.000 0.052 0.000 0.885 380 D CB 0.898 41.705 40.800 0.010 0.000 1.198 380 D HN 0.263 nan 8.370 nan 0.000 0.437 381 I N 1.151 121.742 120.570 0.036 0.000 2.498 381 I HA 0.220 4.388 4.170 -0.003 0.000 0.290 381 I C -0.059 176.075 176.117 0.028 0.000 1.032 381 I CA -0.623 60.701 61.300 0.039 0.000 1.073 381 I CB 2.261 40.303 38.000 0.071 0.000 1.251 381 I HN 0.035 nan 8.210 nan 0.000 0.426 382 T N 4.868 119.434 114.554 0.019 0.000 2.855 382 T HA 0.461 4.809 4.350 -0.003 0.000 0.281 382 T C -0.775 173.964 174.700 0.065 0.000 1.007 382 T CA -0.502 61.608 62.100 0.016 0.000 1.009 382 T CB 2.473 71.325 68.868 -0.027 0.000 0.983 382 T HN 0.305 nan 8.240 nan 0.000 0.455 383 V N 3.970 123.958 119.914 0.124 0.000 2.495 383 V HA 0.593 4.711 4.120 -0.003 0.000 0.298 383 V C -0.679 175.519 176.094 0.174 0.000 1.031 383 V CA -0.852 61.552 62.300 0.174 0.000 0.871 383 V CB 1.393 33.370 31.823 0.257 0.000 0.988 383 V HN 0.770 nan 8.190 nan 0.000 0.432 384 R N 4.855 125.450 120.500 0.159 0.000 2.474 384 R HA 0.327 4.665 4.340 -0.003 0.000 0.295 384 R C 0.635 177.166 176.300 0.385 0.000 0.980 384 R CA -0.368 55.813 56.100 0.135 0.000 0.934 384 R CB 1.329 31.664 30.300 0.059 0.000 1.101 384 R HN 0.882 nan 8.270 nan 0.000 0.469 385 W N 0.884 122.209 121.300 0.041 0.000 2.342 385 W HA -0.262 4.396 4.660 -0.003 0.000 0.297 385 W C 2.256 178.792 176.519 0.027 0.000 1.213 385 W CA 0.928 58.294 57.345 0.034 0.000 1.251 385 W CB -0.119 29.360 29.460 0.032 0.000 1.136 385 W HN 0.653 nan 8.180 nan 0.000 0.526 386 S N 0.248 116.108 115.700 0.268 0.000 2.370 386 S HA -0.241 4.228 4.470 -0.003 0.000 0.226 386 S C 1.290 175.963 174.600 0.120 0.000 1.033 386 S CA 1.736 60.028 58.200 0.154 0.000 1.011 386 S CB -0.794 62.467 63.200 0.102 0.000 0.852 386 S HN 0.164 nan 8.310 nan 0.000 0.457 387 D N 1.688 122.161 120.400 0.122 0.000 2.219 387 D HA 0.055 4.693 4.640 -0.003 0.000 0.205 387 D C 1.745 178.096 176.300 0.085 0.000 0.970 387 D CA 0.758 54.812 54.000 0.088 0.000 0.851 387 D CB -0.278 40.568 40.800 0.077 0.000 0.943 387 D HN 0.424 nan 8.370 nan 0.000 0.488 388 L N -0.471 120.819 121.223 0.112 0.000 2.554 388 L HA 0.128 4.466 4.340 -0.003 0.000 0.226 388 L C 1.373 178.267 176.870 0.039 0.000 1.137 388 L CA 0.382 55.264 54.840 0.070 0.000 0.863 388 L CB -0.098 41.995 42.059 0.057 0.000 0.985 388 L HN 0.081 nan 8.230 nan 0.000 0.451 389 G N 0.604 109.437 108.800 0.055 0.000 2.149 389 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.235 389 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.235 389 G C -0.018 174.897 174.900 0.024 0.000 1.018 389 G CA -0.107 45.015 45.100 0.038 0.000 0.728 389 G HN 0.227 nan 8.290 nan 0.000 0.508 390 L N 0.645 121.890 121.223 0.036 0.000 2.334 390 L HA 0.722 5.060 4.340 -0.003 0.000 0.270 390 L C 1.421 178.347 176.870 0.093 0.000 1.018 390 L CA -0.547 54.300 54.840 0.013 0.000 0.811 390 L CB 1.559 43.552 42.059 -0.110 0.000 1.271 390 L HN 0.349 nan 8.230 nan 0.000 0.443 391 T N -2.415 112.189 114.554 0.083 0.000 2.754 391 T HA 0.120 4.468 4.350 -0.003 0.000 0.286 391 T C 0.297 175.126 174.700 0.215 0.000 0.997 391 T CA -0.643 61.528 62.100 0.119 0.000 0.982 391 T CB 0.201 69.117 68.868 0.079 0.000 1.027 391 T HN 0.572 nan 8.240 nan 0.000 0.529 392 N N 1.173 119.982 118.700 0.183 0.000 3.178 392 N HA 0.456 5.194 4.740 -0.003 0.000 0.300 392 N C -0.450 175.173 175.510 0.190 0.000 1.242 392 N CA -0.613 52.560 53.050 0.205 0.000 1.192 392 N CB 0.019 38.564 38.487 0.097 0.000 1.463 392 N HN 0.767 nan 8.380 nan 0.000 0.539 393 A N 0.311 123.288 122.820 0.261 0.000 2.423 393 A HA 0.541 4.860 4.320 -0.003 0.000 0.304 393 A C 0.135 177.880 177.584 0.268 0.000 1.104 393 A CA -0.689 51.460 52.037 0.188 0.000 0.757 393 A CB 1.123 20.188 19.000 0.109 0.000 1.313 393 A HN 0.272 nan 8.150 nan 0.000 0.423 394 S N 0.089 115.905 115.700 0.193 0.000 2.558 394 S HA 0.435 4.903 4.470 -0.003 0.000 0.293 394 S C 0.317 175.023 174.600 0.177 0.000 1.292 394 S CA 0.649 58.978 58.200 0.214 0.000 1.063 394 S CB 0.300 63.575 63.200 0.126 0.000 0.831 394 S HN 1.549 nan 8.310 nan 0.000 0.499 395 A N 3.089 126.058 122.820 0.250 0.000 2.556 395 A HA 0.724 5.042 4.320 -0.003 0.000 0.294 395 A C -0.395 177.260 177.584 0.118 0.000 1.091 395 A CA -0.822 51.242 52.037 0.046 0.000 0.704 395 A CB 1.413 20.218 19.000 -0.325 0.000 1.300 395 A HN 0.578 nan 8.150 nan 0.000 0.406 396 T N 1.246 115.805 114.554 0.009 0.000 2.795 396 T HA 0.530 4.878 4.350 -0.003 0.000 0.282 396 T C -0.317 174.366 174.700 -0.029 0.000 0.980 396 T CA -0.232 61.880 62.100 0.020 0.000 1.012 396 T CB 1.035 69.900 68.868 -0.006 0.000 0.936 396 T HN 0.530 nan 8.240 nan 0.000 0.457 397 V N 4.281 124.180 119.914 -0.024 0.000 2.427 397 V HA 0.573 4.691 4.120 -0.003 0.000 0.286 397 V C 0.271 176.272 176.094 -0.155 0.000 1.034 397 V CA -0.826 61.386 62.300 -0.148 0.000 0.893 397 V CB 1.372 32.977 31.823 -0.365 0.000 0.982 397 V HN 0.712 nan 8.190 nan 0.000 0.452 398 R N 2.486 122.895 120.500 -0.151 0.000 2.621 398 R HA 0.402 4.741 4.340 -0.003 0.000 0.292 398 R C -1.344 174.896 176.300 -0.100 0.000 0.969 398 R CA -0.638 55.399 56.100 -0.105 0.000 0.887 398 R CB 1.669 31.920 30.300 -0.082 0.000 1.180 398 R HN 0.789 nan 8.270 nan 0.000 0.450 399 D N 5.041 125.408 120.400 -0.056 0.000 2.317 399 D HA 0.120 4.758 4.640 -0.003 0.000 0.234 399 D C 0.910 177.192 176.300 -0.029 0.000 1.112 399 D CA -0.260 53.737 54.000 -0.005 0.000 0.840 399 D CB 1.310 42.143 40.800 0.055 0.000 1.078 399 D HN 0.587 nan 8.370 nan 0.000 0.486 400 L N 2.705 123.877 121.223 -0.085 0.000 2.492 400 L HA 0.045 4.383 4.340 -0.003 0.000 0.223 400 L C 1.342 177.972 176.870 -0.401 0.000 1.132 400 L CA 0.214 54.900 54.840 -0.256 0.000 0.850 400 L CB -0.002 41.847 42.059 -0.349 0.000 0.966 400 L HN 0.480 nan 8.230 nan 0.000 0.454 401 W N -0.368 120.935 121.300 0.005 0.000 2.588 401 W HA 0.128 4.787 4.660 -0.002 0.000 0.277 401 W C 2.599 179.121 176.519 0.005 0.000 1.221 401 W CA 0.513 57.861 57.345 0.005 0.000 1.355 401 W CB -0.050 29.414 29.460 0.007 0.000 1.083 401 W HN -0.044 nan 8.180 nan 0.000 0.581 402 A N 0.536 123.473 122.820 0.196 0.000 2.067 402 A HA -0.067 4.252 4.320 -0.003 0.000 0.219 402 A C 1.111 178.728 177.584 0.055 0.000 1.158 402 A CA 0.845 52.950 52.037 0.114 0.000 0.661 402 A CB -0.597 18.459 19.000 0.093 0.000 0.801 402 A HN 0.327 nan 8.150 nan 0.000 0.452 403 R N -1.243 119.263 120.500 0.011 0.000 3.333 403 R HA -0.132 4.206 4.340 -0.003 0.000 0.256 403 R C -1.030 175.262 176.300 -0.014 0.000 1.010 403 R CA 0.887 56.970 56.100 -0.029 0.000 0.680 403 R CB -1.632 28.648 30.300 -0.032 0.000 1.102 403 R HN 0.587 nan 8.270 nan 0.000 0.440 404 Q N 0.200 119.996 119.800 -0.006 0.000 2.340 404 Q HA 0.299 4.638 4.340 -0.003 0.000 0.276 404 Q C -0.683 175.313 176.000 -0.008 0.000 1.048 404 Q CA -1.013 54.790 55.803 0.000 0.000 0.832 404 Q CB 1.697 30.447 28.738 0.019 0.000 1.373 404 Q HN 0.062 nan 8.270 nan 0.000 0.409 405 N N 0.745 119.440 118.700 -0.009 0.000 2.492 405 N HA 0.090 4.828 4.740 -0.003 0.000 0.262 405 N C 0.771 176.286 175.510 0.009 0.000 1.202 405 N CA 0.147 53.189 53.050 -0.012 0.000 0.926 405 N CB 1.021 39.504 38.487 -0.007 0.000 1.078 405 N HN 0.463 nan 8.380 nan 0.000 0.454 406 V N -1.551 118.365 119.914 0.003 0.000 3.346 406 V HA 0.657 4.775 4.120 -0.003 0.000 0.309 406 V C 0.688 176.854 176.094 0.121 0.000 1.457 406 V CA 0.237 62.573 62.300 0.060 0.000 1.069 406 V CB -0.173 31.698 31.823 0.080 0.000 0.944 406 V HN 0.742 nan 8.190 nan 0.000 0.449 407 G N 0.349 109.199 108.800 0.084 0.000 2.368 407 G HA2 0.442 4.400 3.960 -0.003 0.000 0.302 407 G HA3 0.442 4.400 3.960 -0.003 0.000 0.302 407 G C -0.616 174.360 174.900 0.128 0.000 1.329 407 G CA 0.126 45.304 45.100 0.130 0.000 0.935 407 G HN 1.093 nan 8.290 nan 0.000 0.590 408 T N -2.507 112.136 114.554 0.148 0.000 2.907 408 T HA 0.884 5.233 4.350 -0.003 0.000 0.292 408 T C -0.330 174.488 174.700 0.197 0.000 1.043 408 T CA -0.001 62.205 62.100 0.177 0.000 1.003 408 T CB 2.010 70.954 68.868 0.126 0.000 1.084 408 T HN 2.053 nan 8.240 nan 0.000 0.483 409 S N -0.634 115.233 115.700 0.277 0.000 2.547 409 S HA 0.643 5.111 4.470 -0.003 0.000 0.270 409 S C 0.236 174.982 174.600 0.244 0.000 1.150 409 S CA -0.172 58.110 58.200 0.137 0.000 0.850 409 S CB 1.222 64.364 63.200 -0.096 0.000 1.118 409 S HN 1.356 nan 8.310 nan 0.000 0.461 410 A N 1.635 124.491 122.820 0.059 0.000 2.308 410 A HA 0.324 4.642 4.320 -0.003 0.000 0.217 410 A C 1.383 178.870 177.584 -0.161 0.000 1.216 410 A CA 1.097 53.208 52.037 0.124 0.000 0.864 410 A CB -0.528 18.525 19.000 0.089 0.000 0.902 410 A HN 1.158 nan 8.150 nan 0.000 0.499 411 T N -5.917 108.236 114.554 -0.668 0.000 3.098 411 T HA 0.524 4.872 4.350 -0.003 0.000 0.256 411 T C 0.744 174.697 174.700 -1.245 0.000 0.921 411 T CA 0.904 62.558 62.100 -0.743 0.000 0.916 411 T CB 0.517 69.183 68.868 -0.337 0.000 1.246 411 T HN 1.365 nan 8.240 nan 0.000 0.511 412 G N -0.053 107.773 108.800 -1.624 0.000 2.320 412 G HA2 0.453 4.411 3.960 -0.003 0.000 0.296 412 G HA3 0.453 4.411 3.960 -0.003 0.000 0.296 412 G C -2.578 171.931 174.900 -0.651 0.000 1.306 412 G CA -0.753 43.583 45.100 -1.274 0.000 0.836 412 G HN 0.400 nan 8.290 nan 0.000 0.517 413 Y N -0.111 120.007 120.300 -0.303 0.000 2.479 413 Y HA 0.685 5.234 4.550 -0.003 0.000 0.338 413 Y C -0.677 175.218 175.900 -0.008 0.000 1.055 413 Y CA -0.477 57.584 58.100 -0.066 0.000 1.023 413 Y CB 2.444 40.984 38.460 0.133 0.000 1.287 413 Y HN 0.675 nan 8.280 nan 0.000 0.447 414 T N 4.697 118.854 114.554 -0.661 0.000 2.824 414 T HA 0.877 5.226 4.350 -0.003 0.000 0.282 414 T C -1.089 173.260 174.700 -0.585 0.000 0.993 414 T CA -0.496 61.349 62.100 -0.424 0.000 0.967 414 T CB 1.254 69.962 68.868 -0.267 0.000 0.960 414 T HN 0.791 nan 8.240 nan 0.000 0.441 415 A N 1.836 124.533 122.820 -0.204 0.000 2.435 415 A HA 0.822 5.141 4.320 -0.003 0.000 0.304 415 A C -0.026 177.557 177.584 -0.001 0.000 1.064 415 A CA -0.801 51.198 52.037 -0.063 0.000 0.727 415 A CB 1.686 20.786 19.000 0.167 0.000 1.284 415 A HN 0.666 nan 8.150 nan 0.000 0.415 416 S N 0.449 116.153 115.700 0.007 0.000 2.528 416 S HA 0.503 4.971 4.470 -0.003 0.000 0.277 416 S C -0.481 174.141 174.600 0.036 0.000 1.297 416 S CA -0.201 58.008 58.200 0.017 0.000 1.052 416 S CB -0.113 63.088 63.200 0.001 0.000 0.917 416 S HN 0.895 nan 8.310 nan 0.000 0.492 417 V N 8.244 128.182 119.914 0.040 0.000 2.531 417 V HA 0.436 4.554 4.120 -0.003 0.000 0.301 417 V C -2.300 173.801 176.094 0.013 0.000 1.034 417 V CA -2.016 60.308 62.300 0.040 0.000 0.865 417 V CB 1.575 33.438 31.823 0.067 0.000 0.995 417 V HN 0.718 nan 8.190 nan 0.000 0.424 418 P HA 0.186 nan 4.420 nan 0.000 0.270 418 P C -0.205 177.078 177.300 -0.028 0.000 1.223 418 P CA -0.083 62.996 63.100 -0.035 0.000 0.785 418 P CB 0.497 32.169 31.700 -0.047 0.000 0.923 419 A N 2.295 125.090 122.820 -0.042 0.000 2.566 419 A HA 0.370 4.688 4.320 -0.003 0.000 0.245 419 A C 1.580 179.145 177.584 -0.031 0.000 1.056 419 A CA 0.806 52.828 52.037 -0.025 0.000 0.757 419 A CB -1.667 17.311 19.000 -0.036 0.000 0.979 419 A HN 0.893 nan 8.150 nan 0.000 0.508 420 G N 1.682 110.473 108.800 -0.014 0.000 2.189 420 G HA2 -0.035 3.923 3.960 -0.003 0.000 0.267 420 G HA3 -0.035 3.923 3.960 -0.003 0.000 0.267 420 G C 0.894 175.757 174.900 -0.062 0.000 0.975 420 G CA 0.854 45.932 45.100 -0.038 0.000 0.644 420 G HN 1.899 nan 8.290 nan 0.000 0.537 421 G N -0.901 107.871 108.800 -0.046 0.000 2.642 421 G HA2 0.902 4.860 3.960 -0.003 0.000 0.291 421 G HA3 0.902 4.860 3.960 -0.003 0.000 0.291 421 G C -0.002 174.883 174.900 -0.025 0.000 1.345 421 G CA 0.577 45.641 45.100 -0.060 0.000 1.043 421 G HN 1.747 nan 8.290 nan 0.000 0.528 422 S N -2.471 113.215 115.700 -0.022 0.000 2.570 422 S HA 0.665 5.133 4.470 -0.003 0.000 0.270 422 S C -1.530 173.107 174.600 0.061 0.000 1.149 422 S CA -0.696 57.520 58.200 0.028 0.000 0.837 422 S CB 1.882 65.091 63.200 0.016 0.000 1.124 422 S HN 0.794 nan 8.310 nan 0.000 0.465 423 V N 2.020 122.005 119.914 0.118 0.000 2.656 423 V HA 0.680 4.798 4.120 -0.003 0.000 0.307 423 V C -0.725 175.487 176.094 0.196 0.000 1.051 423 V CA -0.555 61.846 62.300 0.168 0.000 0.893 423 V CB 1.727 33.653 31.823 0.172 0.000 0.999 423 V HN 1.004 nan 8.190 nan 0.000 0.426 424 M N 6.561 126.311 119.600 0.249 0.000 2.114 424 M HA 0.703 5.181 4.480 -0.003 0.000 0.332 424 M C -1.594 174.763 176.300 0.094 0.000 1.014 424 M CA 0.247 55.661 55.300 0.191 0.000 0.956 424 M CB 0.785 33.541 32.600 0.260 0.000 1.551 424 M HN 0.534 nan 8.290 nan 0.000 0.427 425 L N 3.069 124.325 121.223 0.055 0.000 2.309 425 L HA 0.835 5.173 4.340 -0.003 0.000 0.261 425 L C -0.201 176.648 176.870 -0.034 0.000 1.021 425 L CA -0.998 53.836 54.840 -0.010 0.000 0.823 425 L CB 2.558 44.603 42.059 -0.023 0.000 1.366 425 L HN 0.741 nan 8.230 nan 0.000 0.423 426 T N -1.590 112.919 114.554 -0.074 0.000 2.912 426 T HA 0.748 5.096 4.350 -0.003 0.000 0.288 426 T C -0.700 173.928 174.700 -0.120 0.000 1.030 426 T CA -0.766 61.284 62.100 -0.084 0.000 1.020 426 T CB 2.014 70.831 68.868 -0.086 0.000 1.056 426 T HN 0.220 nan 8.240 nan 0.000 0.480 427 V N 3.117 122.938 119.914 -0.155 0.000 2.376 427 V HA 0.667 4.786 4.120 -0.003 0.000 0.287 427 V C 0.310 176.254 176.094 -0.250 0.000 1.015 427 V CA -0.581 61.563 62.300 -0.261 0.000 0.834 427 V CB 1.030 32.581 31.823 -0.452 0.000 1.001 427 V HN 1.313 nan 8.190 nan 0.000 0.428 428 T N 0.203 114.637 114.554 -0.200 0.000 2.901 428 T HA 0.718 5.067 4.350 -0.003 0.000 0.293 428 T C 0.794 175.413 174.700 -0.135 0.000 1.084 428 T CA -0.031 61.979 62.100 -0.151 0.000 1.008 428 T CB 1.875 70.683 68.868 -0.101 0.000 1.170 428 T HN 1.702 nan 8.240 nan 0.000 0.509 429 G N 0.019 108.755 108.800 -0.106 0.000 2.153 429 G HA2 -0.020 3.938 3.960 -0.003 0.000 0.252 429 G HA3 -0.020 3.938 3.960 -0.003 0.000 0.252 429 G C 0.568 175.413 174.900 -0.092 0.000 0.994 429 G CA 0.211 45.264 45.100 -0.077 0.000 0.698 429 G HN 1.328 nan 8.290 nan 0.000 0.521 430 G N -1.194 107.513 108.800 -0.156 0.000 2.621 430 G HA2 0.551 4.509 3.960 -0.003 0.000 0.271 430 G HA3 0.551 4.509 3.960 -0.003 0.000 0.271 430 G C -0.008 174.831 174.900 -0.101 0.000 1.236 430 G CA 0.552 45.542 45.100 -0.183 0.000 0.958 430 G HN 0.593 nan 8.290 nan 0.000 0.512 431 T N 1.392 115.903 114.554 -0.072 0.000 2.771 431 T HA 0.317 4.665 4.350 -0.003 0.000 0.281 431 T C -0.196 174.486 174.700 -0.031 0.000 0.982 431 T CA -0.430 61.652 62.100 -0.031 0.000 0.978 431 T CB 1.452 70.323 68.868 0.005 0.000 0.930 431 T HN 0.390 nan 8.240 nan 0.000 0.447 432 E N 1.935 122.119 120.200 -0.027 0.000 2.392 432 E HA 0.321 4.669 4.350 -0.003 0.000 0.264 432 E C 0.447 177.048 176.600 0.002 0.000 1.024 432 E CA -0.222 56.167 56.400 -0.018 0.000 0.903 432 E CB 0.696 30.387 29.700 -0.016 0.000 0.963 432 E HN 0.793 nan 8.360 nan 0.000 0.432 433 A N 2.191 125.018 122.820 0.011 0.000 2.555 433 A HA 0.230 4.548 4.320 -0.003 0.000 0.233 433 A C 0.409 178.004 177.584 0.017 0.000 1.060 433 A CA 0.423 52.473 52.037 0.023 0.000 0.759 433 A CB 0.092 19.109 19.000 0.029 0.000 0.995 433 A HN 0.648 nan 8.150 nan 0.000 0.506 434 A N 1.814 124.646 122.820 0.020 0.000 2.561 434 A HA 0.463 4.781 4.320 -0.003 0.000 0.251 434 A C 0.910 178.504 177.584 0.016 0.000 1.062 434 A CA 0.596 52.641 52.037 0.014 0.000 0.761 434 A CB -0.679 18.330 19.000 0.015 0.000 0.986 434 A HN 1.768 nan 8.150 nan 0.000 0.510 435 G N 1.282 110.087 108.800 0.008 0.000 2.434 435 G HA2 0.579 4.538 3.960 -0.003 0.000 0.330 435 G HA3 0.579 4.538 3.960 -0.003 0.000 0.330 435 G C 0.241 175.138 174.900 -0.005 0.000 1.155 435 G CA -0.067 45.043 45.100 0.015 0.000 0.917 435 G HN 1.142 nan 8.290 nan 0.000 0.493 436 G N -1.117 107.693 108.800 0.016 0.000 2.425 436 G HA2 0.690 4.648 3.960 -0.003 0.000 0.302 436 G HA3 0.690 4.648 3.960 -0.003 0.000 0.302 436 G C -0.393 174.392 174.900 -0.190 0.000 1.159 436 G CA 0.195 45.230 45.100 -0.108 0.000 0.865 436 G HN 1.099 nan 8.290 nan 0.000 0.515 437 A N 0.650 123.206 122.820 -0.439 0.000 2.355 437 A HA 0.817 5.135 4.320 -0.003 0.000 0.317 437 A C -1.619 175.627 177.584 -0.563 0.000 1.094 437 A CA -0.622 51.230 52.037 -0.309 0.000 0.764 437 A CB 1.121 20.036 19.000 -0.142 0.000 1.230 437 A HN 0.656 nan 8.150 nan 0.000 0.448 438 Y N 0.262 120.603 120.300 0.069 0.000 2.477 438 Y HA 0.637 5.185 4.550 -0.003 0.000 0.347 438 Y C 0.397 176.456 175.900 0.264 0.000 0.981 438 Y CA -0.501 57.690 58.100 0.153 0.000 1.033 438 Y CB 2.393 40.968 38.460 0.192 0.000 1.245 438 Y HN 0.895 nan 8.280 nan 0.000 0.455 439 A N 1.632 124.669 122.820 0.361 0.000 2.324 439 A HA 0.829 5.147 4.320 -0.003 0.000 0.330 439 A C -0.286 177.367 177.584 0.115 0.000 1.165 439 A CA -0.576 51.624 52.037 0.272 0.000 0.813 439 A CB 0.430 19.505 19.000 0.126 0.000 1.197 439 A HN 0.943 nan 8.150 nan 0.000 0.484 440 A N 1.501 124.179 122.820 -0.237 0.000 2.546 440 A HA 0.406 4.724 4.320 -0.003 0.000 0.243 440 A C 1.362 178.806 177.584 -0.235 0.000 1.063 440 A CA 0.655 52.318 52.037 -0.625 0.000 0.757 440 A CB -0.319 18.232 19.000 -0.748 0.000 0.991 440 A HN 1.512 nan 8.150 nan 0.000 0.503 441 T N -0.625 113.820 114.554 -0.183 0.000 3.057 441 T HA 0.283 4.632 4.350 -0.003 0.000 0.254 441 T C 0.715 175.364 174.700 -0.084 0.000 1.094 441 T CA 0.719 62.770 62.100 -0.082 0.000 1.088 441 T CB -0.455 68.394 68.868 -0.033 0.000 0.934 441 T HN 1.436 nan 8.240 nan 0.000 0.497 442 S N -0.045 115.581 115.700 -0.122 0.000 2.656 442 S HA 0.469 4.937 4.470 -0.003 0.000 0.273 442 S C -0.705 173.820 174.600 -0.126 0.000 1.168 442 S CA -0.923 57.219 58.200 -0.096 0.000 0.817 442 S CB 0.899 64.061 63.200 -0.063 0.000 1.146 442 S HN 0.068 nan 8.310 nan 0.000 0.475 443 T N 1.875 116.377 114.554 -0.087 0.000 2.778 443 T HA 0.422 4.770 4.350 -0.003 0.000 0.282 443 T C 1.493 176.142 174.700 -0.086 0.000 0.983 443 T CA 1.327 63.378 62.100 -0.081 0.000 1.193 443 T CB -0.652 68.186 68.868 -0.050 0.000 0.938 443 T HN 1.929 nan 8.240 nan 0.000 0.523 444 G N 3.416 112.152 108.800 -0.108 0.000 2.166 444 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.260 444 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.260 444 G C 0.169 175.032 174.900 -0.062 0.000 0.986 444 G CA 0.481 45.547 45.100 -0.057 0.000 0.683 444 G HN 0.829 nan 8.290 nan 0.000 0.527 445 R N -0.451 119.934 120.500 -0.192 0.000 2.439 445 R HA 0.616 4.954 4.340 -0.003 0.000 0.310 445 R C -1.088 175.047 176.300 -0.276 0.000 0.955 445 R CA -0.825 55.199 56.100 -0.126 0.000 0.853 445 R CB 0.692 30.950 30.300 -0.071 0.000 1.171 445 R HN 0.122 nan 8.270 nan 0.000 0.449 446 Y N 2.624 122.916 120.300 -0.014 0.000 2.331 446 Y HA 0.305 4.854 4.550 -0.003 0.000 0.338 446 Y C 0.520 176.374 175.900 -0.076 0.000 0.976 446 Y CA -0.281 57.801 58.100 -0.030 0.000 1.137 446 Y CB 2.167 40.600 38.460 -0.044 0.000 1.172 446 Y HN 0.581 nan 8.280 nan 0.000 0.478 447 T N -1.579 113.004 114.554 0.047 0.000 2.926 447 T HA 0.617 4.966 4.350 -0.003 0.000 0.289 447 T C 0.769 175.464 174.700 -0.009 0.000 1.054 447 T CA -0.533 61.569 62.100 0.002 0.000 1.015 447 T CB 1.634 70.508 68.868 0.010 0.000 1.167 447 T HN 1.104 nan 8.240 nan 0.000 0.526 448 G N 0.064 108.857 108.800 -0.011 0.000 2.160 448 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.251 448 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.251 448 G C 0.061 174.944 174.900 -0.028 0.000 1.008 448 G CA 0.004 45.122 45.100 0.030 0.000 0.724 448 G HN 1.132 nan 8.290 nan 0.000 0.514 449 V N 1.168 120.935 119.914 -0.246 0.000 2.521 449 V HA 0.445 4.563 4.120 -0.003 0.000 0.286 449 V C 0.951 176.975 176.094 -0.118 0.000 1.034 449 V CA 0.715 62.716 62.300 -0.498 0.000 1.045 449 V CB 1.276 32.763 31.823 -0.561 0.000 0.974 449 V HN 0.348 nan 8.190 nan 0.000 0.480 450 T N 4.598 119.184 114.554 0.053 0.000 2.824 450 T HA 0.738 5.086 4.350 -0.003 0.000 0.280 450 T C -0.118 174.634 174.700 0.086 0.000 0.995 450 T CA -0.298 61.865 62.100 0.105 0.000 1.009 450 T CB 1.624 70.593 68.868 0.168 0.000 0.955 450 T HN 0.933 nan 8.240 nan 0.000 0.452 451 A N 1.257 124.112 122.820 0.058 0.000 2.374 451 A HA 0.767 5.085 4.320 -0.003 0.000 0.305 451 A C 1.009 178.622 177.584 0.049 0.000 1.053 451 A CA -0.525 51.542 52.037 0.051 0.000 0.726 451 A CB 1.049 20.070 19.000 0.034 0.000 1.229 451 A HN 0.912 nan 8.150 nan 0.000 0.431 452 A N 1.301 124.151 122.820 0.049 0.000 2.015 452 A HA 0.332 4.650 4.320 -0.003 0.000 0.219 452 A C 1.264 178.874 177.584 0.043 0.000 1.163 452 A CA 1.879 53.943 52.037 0.045 0.000 0.646 452 A CB -0.168 18.859 19.000 0.044 0.000 0.806 452 A HN 1.522 nan 8.150 nan 0.000 0.448 453 S N -2.049 113.675 115.700 0.041 0.000 2.564 453 S HA 0.491 4.959 4.470 -0.003 0.000 0.274 453 S C -0.322 174.299 174.600 0.035 0.000 1.124 453 S CA -0.444 57.780 58.200 0.040 0.000 0.869 453 S CB 1.273 64.498 63.200 0.040 0.000 1.105 453 S HN 0.219 nan 8.310 nan 0.000 0.472 454 T N 2.923 117.499 114.554 0.037 0.000 2.928 454 T HA 0.564 4.912 4.350 -0.003 0.000 0.305 454 T C 0.591 175.301 174.700 0.017 0.000 1.035 454 T CA 0.939 63.056 62.100 0.029 0.000 1.145 454 T CB 0.193 69.084 68.868 0.037 0.000 0.963 454 T HN 1.224 nan 8.240 nan 0.000 0.545 455 G N 1.593 110.396 108.800 0.005 0.000 2.356 455 G HA2 0.314 4.272 3.960 -0.003 0.000 0.288 455 G HA3 0.314 4.272 3.960 -0.003 0.000 0.288 455 G C -1.928 172.970 174.900 -0.004 0.000 1.302 455 G CA -1.113 43.985 45.100 -0.004 0.000 0.887 455 G HN 0.706 nan 8.290 nan 0.000 0.521 456 L N 1.363 122.584 121.223 -0.005 0.000 2.349 456 L HA 0.595 4.933 4.340 -0.003 0.000 0.275 456 L C 0.162 177.035 176.870 0.005 0.000 1.115 456 L CA -0.432 54.406 54.840 -0.003 0.000 0.820 456 L CB 0.834 42.890 42.059 -0.005 0.000 1.135 456 L HN 0.586 nan 8.230 nan 0.000 0.445 457 N N 2.675 121.376 118.700 0.002 0.000 2.262 457 N HA 0.447 5.185 4.740 -0.003 0.000 0.295 457 N C -1.556 173.954 175.510 -0.001 0.000 1.161 457 N CA -0.602 52.451 53.050 0.005 0.000 0.767 457 N CB 2.453 40.943 38.487 0.006 0.000 1.499 457 N HN 0.226 nan 8.380 nan 0.000 0.476 458 V N 1.887 121.802 119.914 0.002 0.000 2.407 458 V HA 0.323 4.441 4.120 -0.003 0.000 0.278 458 V C 0.067 176.155 176.094 -0.010 0.000 1.037 458 V CA -0.570 61.727 62.300 -0.005 0.000 0.900 458 V CB 1.420 33.243 31.823 -0.001 0.000 0.983 458 V HN 0.321 nan 8.190 nan 0.000 0.459 459 V N 4.280 124.176 119.914 -0.029 0.000 2.417 459 V HA 0.444 4.562 4.120 -0.003 0.000 0.291 459 V C -0.582 175.487 176.094 -0.040 0.000 1.024 459 V CA -0.739 61.537 62.300 -0.040 0.000 0.861 459 V CB 1.845 33.624 31.823 -0.074 0.000 0.985 459 V HN 0.817 nan 8.190 nan 0.000 0.436 460 D N 3.951 124.339 120.400 -0.021 0.000 2.329 460 D HA 0.387 5.025 4.640 -0.003 0.000 0.232 460 D C -0.484 175.821 176.300 0.009 0.000 1.088 460 D CA -0.150 53.850 54.000 0.001 0.000 0.835 460 D CB 2.314 43.123 40.800 0.016 0.000 1.078 460 D HN 0.245 nan 8.370 nan 0.000 0.495 461 V N 1.893 121.836 119.914 0.048 0.000 2.350 461 V HA 0.490 4.608 4.120 -0.003 0.000 0.276 461 V C 0.549 176.806 176.094 0.272 0.000 1.028 461 V CA -0.860 61.504 62.300 0.107 0.000 0.860 461 V CB 1.121 33.029 31.823 0.142 0.000 0.990 461 V HN 0.638 nan 8.190 nan 0.000 0.453 462 A N 6.008 128.958 122.820 0.216 0.000 2.354 462 A HA 0.842 5.160 4.320 -0.003 0.000 0.269 462 A C -0.665 177.118 177.584 0.331 0.000 1.109 462 A CA -0.152 52.022 52.037 0.229 0.000 0.800 462 A CB 0.360 19.429 19.000 0.115 0.000 1.045 462 A HN 1.305 nan 8.150 nan 0.000 0.489 463 Y N -1.438 118.913 120.300 0.086 0.000 2.741 463 Y HA 0.689 5.237 4.550 -0.003 0.000 0.339 463 Y C -0.774 175.148 175.900 0.038 0.000 1.226 463 Y CA -1.002 57.124 58.100 0.044 0.000 1.072 463 Y CB 0.535 39.004 38.460 0.014 0.000 1.331 463 Y HN 0.453 nan 8.280 nan 0.000 0.453 464 T N 2.932 117.452 114.554 -0.056 0.000 2.824 464 T HA 0.406 4.754 4.350 -0.003 0.000 0.282 464 T C -1.398 173.346 174.700 0.073 0.000 0.993 464 T CA -0.672 61.351 62.100 -0.128 0.000 0.967 464 T CB 0.932 69.765 68.868 -0.059 0.000 0.960 464 T HN 0.683 nan 8.240 nan 0.000 0.441 465 N N 2.657 121.397 118.700 0.066 0.000 2.727 465 N HA 0.159 4.897 4.740 -0.003 0.000 0.252 465 N C -0.777 174.781 175.510 0.079 0.000 1.283 465 N CA -0.500 52.644 53.050 0.158 0.000 0.782 465 N CB 0.423 39.116 38.487 0.344 0.000 1.199 465 N HN 0.355 nan 8.380 nan 0.000 0.520 466 N N 1.698 120.423 118.700 0.041 0.000 3.091 466 N HA 0.093 4.831 4.740 -0.003 0.000 0.301 466 N C -0.728 174.802 175.510 0.032 0.000 1.325 466 N CA 0.064 53.129 53.050 0.025 0.000 1.143 466 N CB -0.052 38.440 38.487 0.008 0.000 1.450 466 N HN 0.616 nan 8.380 nan 0.000 0.542 467 T N -4.016 110.567 114.554 0.048 0.000 2.831 467 T HA 0.353 4.701 4.350 -0.003 0.000 0.287 467 T C 0.921 175.651 174.700 0.050 0.000 1.070 467 T CA -0.439 61.688 62.100 0.045 0.000 1.010 467 T CB 0.746 69.643 68.868 0.049 0.000 1.264 467 T HN 0.035 nan 8.240 nan 0.000 0.532 468 S N -0.402 115.324 115.700 0.044 0.000 2.575 468 S HA 0.338 4.807 4.470 -0.003 0.000 0.215 468 S C 0.402 175.034 174.600 0.053 0.000 0.966 468 S CA -0.492 57.734 58.200 0.044 0.000 0.911 468 S CB -0.286 62.934 63.200 0.034 0.000 0.780 468 S HN 0.632 nan 8.310 nan 0.000 0.514 469 S N 1.295 117.032 115.700 0.062 0.000 2.526 469 S HA 0.781 5.249 4.470 -0.003 0.000 0.293 469 S C -0.119 174.535 174.600 0.090 0.000 1.092 469 S CA -0.722 57.519 58.200 0.068 0.000 0.980 469 S CB 1.671 64.906 63.200 0.060 0.000 1.048 469 S HN 0.607 nan 8.310 nan 0.000 0.483 470 A N 2.720 125.597 122.820 0.094 0.000 2.483 470 A HA 0.489 4.808 4.320 -0.003 0.000 0.238 470 A C 0.272 177.929 177.584 0.122 0.000 1.070 470 A CA 0.085 52.192 52.037 0.117 0.000 0.770 470 A CB 0.162 19.216 19.000 0.091 0.000 1.008 470 A HN 0.791 nan 8.150 nan 0.000 0.497 471 R N -0.140 120.455 120.500 0.159 0.000 2.778 471 R HA 0.656 4.994 4.340 -0.003 0.000 0.277 471 R C -0.349 176.093 176.300 0.236 0.000 0.977 471 R CA -0.337 55.851 56.100 0.147 0.000 0.950 471 R CB 2.029 32.382 30.300 0.087 0.000 1.165 471 R HN 0.851 nan 8.270 nan 0.000 0.474 472 T N -1.676 112.998 114.554 0.200 0.000 2.932 472 T HA 0.847 5.196 4.350 -0.003 0.000 0.289 472 T C -0.564 174.272 174.700 0.227 0.000 1.039 472 T CA -0.878 61.374 62.100 0.255 0.000 1.024 472 T CB 2.066 71.045 68.868 0.186 0.000 1.090 472 T HN 0.642 nan 8.240 nan 0.000 0.496 473 A N 1.075 124.070 122.820 0.291 0.000 2.515 473 A HA 0.767 5.085 4.320 -0.003 0.000 0.296 473 A C -0.094 177.576 177.584 0.143 0.000 1.094 473 A CA -0.966 51.191 52.037 0.201 0.000 0.718 473 A CB 1.396 20.551 19.000 0.258 0.000 1.307 473 A HN 0.856 nan 8.150 nan 0.000 0.408 474 T N 1.559 116.164 114.554 0.084 0.000 2.817 474 T HA 0.473 4.821 4.350 -0.003 0.000 0.293 474 T C -0.488 174.244 174.700 0.054 0.000 0.964 474 T CA 0.107 62.238 62.100 0.051 0.000 1.085 474 T CB 0.527 69.411 68.868 0.026 0.000 0.921 474 T HN 0.640 nan 8.240 nan 0.000 0.502 475 L N 3.716 124.959 121.223 0.033 0.000 2.322 475 L HA 0.563 4.901 4.340 -0.003 0.000 0.281 475 L C -0.488 176.387 176.870 0.008 0.000 1.014 475 L CA -0.306 54.546 54.840 0.020 0.000 0.815 475 L CB 1.655 43.700 42.059 -0.023 0.000 1.247 475 L HN 0.627 nan 8.230 nan 0.000 0.421 476 Q N 3.758 123.568 119.800 0.016 0.000 2.321 476 Q HA 0.580 4.918 4.340 -0.003 0.000 0.270 476 Q C -1.821 174.187 176.000 0.013 0.000 1.032 476 Q CA -0.793 55.018 55.803 0.012 0.000 0.784 476 Q CB 2.146 30.894 28.738 0.017 0.000 1.264 476 Q HN 0.620 nan 8.270 nan 0.000 0.448 477 V N 5.609 125.526 119.914 0.006 0.000 2.383 477 V HA 0.261 4.379 4.120 -0.003 0.000 0.275 477 V C 0.300 176.402 176.094 0.013 0.000 1.036 477 V CA -0.458 61.844 62.300 0.002 0.000 0.889 477 V CB 0.801 32.619 31.823 -0.008 0.000 0.985 477 V HN 0.988 nan 8.190 nan 0.000 0.459 478 N N 4.170 122.879 118.700 0.016 0.000 1.161 478 N HA -0.231 4.507 4.740 -0.003 0.000 0.111 478 N C 1.270 176.803 175.510 0.038 0.000 0.779 478 N CA 1.858 54.924 53.050 0.027 0.000 0.845 478 N CB -1.039 37.467 38.487 0.031 0.000 1.034 478 N HN 0.918 nan 8.380 nan 0.000 0.629 479 G N 0.576 109.410 108.800 0.056 0.000 3.448 479 G HA2 0.193 4.151 3.960 -0.003 0.000 0.261 479 G HA3 0.193 4.151 3.960 -0.003 0.000 0.261 479 G C 0.379 175.323 174.900 0.073 0.000 1.173 479 G CA 0.003 45.147 45.100 0.074 0.000 0.835 479 G HN 0.388 nan 8.290 nan 0.000 0.534 480 Q N 0.177 120.004 119.800 0.045 0.000 2.471 480 Q HA 0.238 4.576 4.340 -0.003 0.000 0.223 480 Q C 0.146 176.149 176.000 0.005 0.000 1.045 480 Q CA -0.077 55.739 55.803 0.022 0.000 0.956 480 Q CB 0.432 29.178 28.738 0.012 0.000 1.249 480 Q HN 0.111 nan 8.270 nan 0.000 0.549 481 T N 1.441 115.982 114.554 -0.022 0.000 2.908 481 T HA 0.177 4.525 4.350 -0.003 0.000 0.301 481 T C 0.006 174.692 174.700 -0.023 0.000 1.019 481 T CA -0.231 61.846 62.100 -0.037 0.000 1.152 481 T CB 0.329 69.157 68.868 -0.067 0.000 0.966 481 T HN 0.588 nan 8.240 nan 0.000 0.540 482 A N 3.412 126.219 122.820 -0.021 0.000 2.346 482 A HA 0.616 4.934 4.320 -0.003 0.000 0.252 482 A C 0.731 178.298 177.584 -0.027 0.000 1.089 482 A CA -0.356 51.672 52.037 -0.016 0.000 0.797 482 A CB 0.566 19.559 19.000 -0.010 0.000 1.047 482 A HN 0.784 nan 8.150 nan 0.000 0.494 483 T N -1.033 113.514 114.554 -0.011 0.000 2.838 483 T HA 0.643 4.991 4.350 -0.003 0.000 0.292 483 T C -0.603 174.105 174.700 0.014 0.000 1.113 483 T CA -0.281 61.819 62.100 -0.000 0.000 1.008 483 T CB 1.461 70.388 68.868 0.099 0.000 1.259 483 T HN 0.669 nan 8.240 nan 0.000 0.520 484 T N 1.721 116.292 114.554 0.028 0.000 2.823 484 T HA 0.678 5.026 4.350 -0.003 0.000 0.279 484 T C -0.915 173.925 174.700 0.233 0.000 0.998 484 T CA -0.460 61.669 62.100 0.048 0.000 0.994 484 T CB 1.292 70.103 68.868 -0.095 0.000 0.960 484 T HN 0.452 nan 8.240 nan 0.000 0.448 485 V N 2.295 122.299 119.914 0.151 0.000 2.540 485 V HA 0.611 4.729 4.120 -0.003 0.000 0.302 485 V C 0.063 176.115 176.094 -0.069 0.000 1.035 485 V CA -0.800 61.500 62.300 -0.001 0.000 0.873 485 V CB 2.002 33.636 31.823 -0.315 0.000 0.992 485 V HN 0.888 nan 8.190 nan 0.000 0.428 486 S N 3.679 119.281 115.700 -0.164 0.000 2.489 486 S HA 0.746 5.214 4.470 -0.003 0.000 0.291 486 S C -1.080 173.230 174.600 -0.484 0.000 1.151 486 S CA -0.356 57.739 58.200 -0.174 0.000 1.082 486 S CB 0.411 63.515 63.200 -0.159 0.000 1.019 486 S HN 0.427 nan 8.310 nan 0.000 0.492 487 F N 5.228 125.089 119.950 -0.148 0.000 2.359 487 F HA 0.406 4.931 4.527 -0.003 0.000 0.369 487 F C -2.172 173.622 175.800 -0.010 0.000 1.084 487 F CA -1.948 55.875 58.000 -0.295 0.000 1.096 487 F CB 1.364 40.011 39.000 -0.590 0.000 1.335 487 F HN 0.373 nan 8.300 nan 0.000 0.457 488 P HA 0.123 nan 4.420 nan 0.000 0.271 488 P C -2.529 174.942 177.300 0.285 0.000 1.233 488 P CA -1.185 62.034 63.100 0.198 0.000 0.789 488 P CB 0.106 31.886 31.700 0.133 0.000 0.951 489 P HA -0.046 nan 4.420 nan 0.000 0.265 489 P C 0.690 178.052 177.300 0.103 0.000 1.187 489 P CA 0.806 63.989 63.100 0.139 0.000 0.766 489 P CB 0.043 31.794 31.700 0.086 0.000 0.820 490 T N -0.498 114.083 114.554 0.045 0.000 2.975 490 T HA 0.427 4.775 4.350 -0.003 0.000 0.257 490 T C 0.926 175.603 174.700 -0.038 0.000 1.003 490 T CA 0.345 62.417 62.100 -0.047 0.000 0.932 490 T CB -0.479 68.265 68.868 -0.206 0.000 1.087 490 T HN 0.668 nan 8.240 nan 0.000 0.512 491 G N 1.267 110.060 108.800 -0.012 0.000 2.645 491 G HA2 0.037 3.995 3.960 -0.003 0.000 0.239 491 G HA3 0.037 3.995 3.960 -0.003 0.000 0.239 491 G C 0.976 175.861 174.900 -0.025 0.000 1.331 491 G CA -0.087 45.005 45.100 -0.013 0.000 0.890 491 G HN 1.046 nan 8.290 nan 0.000 0.572 492 A N -0.659 122.147 122.820 -0.022 0.000 2.014 492 A HA 0.481 4.799 4.320 -0.003 0.000 0.218 492 A C 1.769 179.331 177.584 -0.036 0.000 1.163 492 A CA 2.337 54.360 52.037 -0.023 0.000 0.652 492 A CB -0.339 18.652 19.000 -0.015 0.000 0.808 492 A HN 1.584 nan 8.150 nan 0.000 0.449 493 S N -0.542 115.131 115.700 -0.046 0.000 2.616 493 S HA 0.596 5.064 4.470 -0.003 0.000 0.277 493 S C 0.419 174.960 174.600 -0.099 0.000 1.234 493 S CA -0.224 57.942 58.200 -0.057 0.000 1.028 493 S CB 1.336 64.509 63.200 -0.045 0.000 0.988 493 S HN 0.691 nan 8.310 nan 0.000 0.522 494 A N 1.466 124.223 122.820 -0.104 0.000 2.406 494 A HA 0.643 4.961 4.320 -0.003 0.000 0.243 494 A C 0.671 178.139 177.584 -0.193 0.000 1.082 494 A CA 0.176 52.111 52.037 -0.170 0.000 0.786 494 A CB -0.259 18.680 19.000 -0.102 0.000 1.029 494 A HN 0.954 nan 8.150 nan 0.000 0.495 495 G N -1.000 107.603 108.800 -0.329 0.000 2.766 495 G HA2 0.674 4.632 3.960 -0.003 0.000 0.288 495 G HA3 0.674 4.632 3.960 -0.003 0.000 0.288 495 G C -0.560 174.267 174.900 -0.122 0.000 1.408 495 G CA 0.189 45.159 45.100 -0.215 0.000 0.852 495 G HN 1.347 nan 8.290 nan 0.000 0.487 496 T N -2.151 112.437 114.554 0.056 0.000 2.887 496 T HA 0.734 5.082 4.350 -0.003 0.000 0.288 496 T C -0.048 174.810 174.700 0.264 0.000 1.021 496 T CA -0.453 61.772 62.100 0.209 0.000 1.000 496 T CB 1.419 70.353 68.868 0.110 0.000 1.034 496 T HN 1.458 nan 8.240 nan 0.000 0.467 497 V N -0.437 119.640 119.914 0.272 0.000 2.881 497 V HA 0.901 5.019 4.120 -0.003 0.000 0.316 497 V C -0.249 175.834 176.094 -0.019 0.000 1.070 497 V CA -0.863 61.470 62.300 0.054 0.000 0.976 497 V CB 1.674 33.412 31.823 -0.143 0.000 1.038 497 V HN 1.037 nan 8.190 nan 0.000 0.446 498 S N 1.223 116.891 115.700 -0.053 0.000 2.532 498 S HA 0.877 5.345 4.470 -0.003 0.000 0.301 498 S C -0.372 174.174 174.600 -0.091 0.000 1.083 498 S CA -0.434 57.733 58.200 -0.055 0.000 1.025 498 S CB 1.646 64.833 63.200 -0.023 0.000 1.056 498 S HN 1.587 nan 8.310 nan 0.000 0.494 499 V N -0.079 119.772 119.914 -0.105 0.000 2.962 499 V HA 0.665 4.783 4.120 -0.003 0.000 0.313 499 V C -0.932 175.129 176.094 -0.056 0.000 1.099 499 V CA -1.017 61.208 62.300 -0.125 0.000 0.971 499 V CB 1.763 33.400 31.823 -0.309 0.000 1.028 499 V HN 0.830 nan 8.190 nan 0.000 0.430 500 E N 1.700 121.898 120.200 -0.004 0.000 2.197 500 E HA 0.654 5.002 4.350 -0.003 0.000 0.281 500 E C -0.593 176.007 176.600 -0.001 0.000 0.995 500 E CA -0.619 55.783 56.400 0.004 0.000 0.808 500 E CB 2.109 31.822 29.700 0.022 0.000 1.093 500 E HN 0.952 nan 8.360 nan 0.000 0.394 501 V N -0.300 119.606 119.914 -0.014 0.000 2.962 501 V HA 0.626 4.744 4.120 -0.003 0.000 0.313 501 V C -0.425 175.663 176.094 -0.010 0.000 1.099 501 V CA -0.894 61.397 62.300 -0.016 0.000 0.971 501 V CB 2.051 33.852 31.823 -0.035 0.000 1.028 501 V HN 0.511 nan 8.190 nan 0.000 0.430 502 S N 2.750 118.446 115.700 -0.008 0.000 2.442 502 S HA 0.790 5.259 4.470 -0.003 0.000 0.297 502 S C -0.663 173.932 174.600 -0.008 0.000 1.131 502 S CA -0.580 57.615 58.200 -0.009 0.000 1.092 502 S CB 0.102 63.294 63.200 -0.013 0.000 0.998 502 S HN 0.697 nan 8.310 nan 0.000 0.478 503 L N 3.130 124.350 121.223 -0.005 0.000 2.333 503 L HA 0.547 4.885 4.340 -0.003 0.000 0.269 503 L C 0.182 177.057 176.870 0.010 0.000 1.010 503 L CA -0.895 53.944 54.840 -0.001 0.000 0.818 503 L CB 2.211 44.268 42.059 -0.004 0.000 1.306 503 L HN 0.499 nan 8.230 nan 0.000 0.430 504 S N 0.735 116.445 115.700 0.016 0.000 2.562 504 S HA 0.187 4.655 4.470 -0.003 0.000 0.275 504 S C -0.158 174.460 174.600 0.030 0.000 1.281 504 S CA -0.551 57.666 58.200 0.029 0.000 1.045 504 S CB 1.157 64.379 63.200 0.036 0.000 0.962 504 S HN 0.404 nan 8.310 nan 0.000 0.503 505 K N 1.450 121.872 120.400 0.037 0.000 2.511 505 K HA 0.318 4.636 4.320 -0.003 0.000 0.280 505 K C 0.729 177.352 176.600 0.038 0.000 1.008 505 K CA 0.947 57.257 56.287 0.039 0.000 1.050 505 K CB -0.315 32.212 32.500 0.044 0.000 0.889 505 K HN 0.887 nan 8.250 nan 0.000 0.484 506 G N 1.519 110.343 108.800 0.039 0.000 2.409 506 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.421 506 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.421 506 G C -0.221 174.704 174.900 0.040 0.000 1.259 506 G CA -0.136 44.988 45.100 0.040 0.000 1.011 506 G HN 0.765 nan 8.290 nan 0.000 0.497 507 S N -1.337 114.387 115.700 0.040 0.000 2.664 507 S HA 0.623 5.091 4.470 -0.003 0.000 0.245 507 S C 1.203 175.819 174.600 0.026 0.000 1.019 507 S CA 0.983 59.209 58.200 0.044 0.000 0.996 507 S CB 1.036 64.276 63.200 0.066 0.000 0.878 507 S HN 2.133 nan 8.310 nan 0.000 0.493 508 A N 1.543 124.374 122.820 0.018 0.000 2.423 508 A HA 0.333 4.651 4.320 -0.003 0.000 0.246 508 A C 0.465 178.049 177.584 0.001 0.000 1.278 508 A CA -0.561 51.484 52.037 0.013 0.000 0.903 508 A CB -0.129 18.883 19.000 0.020 0.000 0.997 508 A HN 0.512 nan 8.150 nan 0.000 0.510 509 N N 1.879 120.569 118.700 -0.017 0.000 2.530 509 N HA 0.241 4.979 4.740 -0.003 0.000 0.273 509 N C -0.276 175.204 175.510 -0.050 0.000 1.173 509 N CA 0.828 53.858 53.050 -0.032 0.000 0.967 509 N CB 1.082 39.540 38.487 -0.050 0.000 1.109 509 N HN 0.406 nan 8.380 nan 0.000 0.453 510 T N -0.953 113.586 114.554 -0.026 0.000 2.861 510 T HA 0.593 4.941 4.350 -0.003 0.000 0.287 510 T C -0.507 174.194 174.700 0.003 0.000 1.003 510 T CA -0.845 61.249 62.100 -0.010 0.000 0.977 510 T CB 1.104 69.977 68.868 0.007 0.000 0.996 510 T HN 0.109 nan 8.240 nan 0.000 0.448 511 L N 2.519 123.764 121.223 0.036 0.000 2.319 511 L HA 0.768 5.106 4.340 -0.003 0.000 0.281 511 L C 0.049 176.995 176.870 0.127 0.000 1.005 511 L CA -0.635 54.241 54.840 0.059 0.000 0.828 511 L CB 1.573 43.645 42.059 0.021 0.000 1.227 511 L HN 1.059 nan 8.230 nan 0.000 0.415 512 A N 5.024 127.893 122.820 0.082 0.000 2.318 512 A HA 0.865 5.183 4.320 -0.003 0.000 0.317 512 A C -0.917 176.713 177.584 0.077 0.000 1.159 512 A CA -0.426 51.656 52.037 0.076 0.000 0.799 512 A CB 0.690 19.714 19.000 0.040 0.000 1.194 512 A HN 0.615 nan 8.150 nan 0.000 0.479 513 L N 1.797 123.075 121.223 0.091 0.000 2.317 513 L HA 0.589 4.928 4.340 -0.003 0.000 0.281 513 L C 0.003 176.900 176.870 0.045 0.000 1.024 513 L CA -0.289 54.601 54.840 0.083 0.000 0.810 513 L CB 2.234 44.364 42.059 0.119 0.000 1.240 513 L HN 0.645 nan 8.230 nan 0.000 0.427 514 S N 1.424 117.147 115.700 0.040 0.000 2.605 514 S HA 0.819 5.287 4.470 -0.003 0.000 0.308 514 S C 0.110 174.722 174.600 0.020 0.000 1.113 514 S CA -0.239 57.973 58.200 0.021 0.000 1.049 514 S CB 1.743 64.953 63.200 0.018 0.000 1.001 514 S HN 1.068 nan 8.310 nan 0.000 0.480 515 G N 1.947 110.748 108.800 0.001 0.000 2.782 515 G HA2 0.379 4.337 3.960 -0.003 0.000 0.228 515 G HA3 0.379 4.337 3.960 -0.003 0.000 0.228 515 G C 0.301 175.180 174.900 -0.035 0.000 1.372 515 G CA -0.318 44.779 45.100 -0.005 0.000 0.862 515 G HN 2.006 nan 8.290 nan 0.000 0.547 516 G N -0.823 107.950 108.800 -0.046 0.000 2.741 516 G HA2 0.288 4.246 3.960 -0.003 0.000 0.222 516 G HA3 0.288 4.246 3.960 -0.003 0.000 0.222 516 G C -1.496 173.279 174.900 -0.209 0.000 1.364 516 G CA 0.674 45.695 45.100 -0.131 0.000 0.866 516 G HN 1.692 nan 8.290 nan 0.000 0.555 517 P HA 0.508 nan 4.420 nan 0.000 0.274 517 P C 0.230 177.398 177.300 -0.219 0.000 1.231 517 P CA 0.551 63.506 63.100 -0.241 0.000 0.790 517 P CB 0.674 32.243 31.700 -0.217 0.000 0.951 518 A N 2.420 125.186 122.820 -0.091 0.000 2.520 518 A HA 0.366 4.684 4.320 -0.003 0.000 0.245 518 A C 0.933 178.514 177.584 -0.005 0.000 1.072 518 A CA 0.201 52.212 52.037 -0.044 0.000 0.761 518 A CB -0.829 18.162 19.000 -0.015 0.000 1.004 518 A HN 0.662 nan 8.150 nan 0.000 0.499 519 T N 0.156 114.733 114.554 0.038 0.000 2.918 519 T HA 0.571 4.919 4.350 -0.003 0.000 0.283 519 T C 0.058 174.864 174.700 0.176 0.000 1.001 519 T CA -0.507 61.680 62.100 0.145 0.000 1.041 519 T CB 1.327 70.334 68.868 0.230 0.000 1.028 519 T HN 0.619 nan 8.240 nan 0.000 0.511 520 E N 0.055 120.374 120.200 0.199 0.000 2.887 520 E HA 0.476 4.824 4.350 -0.003 0.000 0.206 520 E C 0.379 177.090 176.600 0.186 0.000 0.983 520 E CA -0.651 55.842 56.400 0.155 0.000 1.141 520 E CB 0.561 30.318 29.700 0.095 0.000 1.061 520 E HN 1.136 nan 8.360 nan 0.000 0.468 521 G N 1.672 110.650 108.800 0.297 0.000 2.428 521 G HA2 0.005 3.964 3.960 -0.003 0.000 0.681 521 G HA3 0.005 3.964 3.960 -0.003 0.000 0.681 521 G C -0.940 173.990 174.900 0.049 0.000 1.340 521 G CA -0.778 44.487 45.100 0.274 0.000 0.915 521 G HN 0.183 nan 8.290 nan 0.000 0.645 522 I N -1.749 118.772 120.570 -0.081 0.000 2.785 522 I HA 0.949 5.117 4.170 -0.003 0.000 0.302 522 I C 0.126 176.255 176.117 0.020 0.000 1.069 522 I CA -0.650 60.560 61.300 -0.150 0.000 1.045 522 I CB 2.689 40.424 38.000 -0.441 0.000 1.236 522 I HN 0.977 nan 8.210 nan 0.000 0.429 523 T N 2.029 116.594 114.554 0.018 0.000 2.829 523 T HA 0.770 5.118 4.350 -0.003 0.000 0.280 523 T C -0.707 174.028 174.700 0.059 0.000 0.999 523 T CA -0.623 61.506 62.100 0.047 0.000 0.983 523 T CB 1.672 70.543 68.868 0.005 0.000 0.968 523 T HN 0.529 nan 8.240 nan 0.000 0.446 524 V N 3.979 123.958 119.914 0.108 0.000 2.483 524 V HA 0.632 4.750 4.120 -0.003 0.000 0.297 524 V C -0.136 176.003 176.094 0.075 0.000 1.027 524 V CA -0.891 61.466 62.300 0.096 0.000 0.855 524 V CB 1.631 33.550 31.823 0.159 0.000 0.995 524 V HN 0.908 nan 8.190 nan 0.000 0.424 525 R N 5.174 125.699 120.500 0.043 0.000 2.575 525 R HA 0.538 4.876 4.340 -0.003 0.000 0.293 525 R C -2.897 173.420 176.300 0.029 0.000 0.983 525 R CA -1.747 54.374 56.100 0.035 0.000 0.887 525 R CB 3.274 33.586 30.300 0.021 0.000 1.184 525 R HN 0.433 nan 8.270 nan 0.000 0.445 526 P HA 0.197 nan 4.420 nan 0.000 0.281 526 P C -0.685 176.631 177.300 0.026 0.000 1.249 526 P CA -0.382 62.736 63.100 0.029 0.000 0.810 526 P CB 1.060 32.781 31.700 0.035 0.000 1.008 527 L N 3.791 125.028 121.223 0.023 0.000 2.371 527 L HA 0.275 4.614 4.340 -0.003 0.000 0.262 527 L C -1.637 175.250 176.870 0.027 0.000 1.054 527 L CA -1.867 52.988 54.840 0.025 0.000 0.924 527 L CB 1.391 43.462 42.059 0.020 0.000 1.295 527 L HN 0.168 nan 8.230 nan 0.000 0.441 528 P HA -0.123 nan 4.420 nan 0.000 0.222 528 P C 1.627 178.947 177.300 0.032 0.000 1.147 528 P CA 0.812 63.934 63.100 0.037 0.000 0.790 528 P CB 0.335 32.062 31.700 0.046 0.000 0.780 529 G N -0.439 108.380 108.800 0.031 0.000 2.470 529 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.220 529 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.220 529 G C 1.319 176.221 174.900 0.004 0.000 1.121 529 G CA 1.456 46.567 45.100 0.019 0.000 0.766 529 G HN 0.390 nan 8.290 nan 0.000 0.553 530 T N -1.634 112.924 114.554 0.006 0.000 3.107 530 T HA 0.151 4.499 4.350 -0.003 0.000 0.249 530 T C 0.713 175.412 174.700 -0.002 0.000 1.096 530 T CA -0.591 61.505 62.100 -0.006 0.000 1.012 530 T CB -0.117 68.747 68.868 -0.007 0.000 0.977 530 T HN -0.023 nan 8.240 nan 0.000 0.527 531 N N 2.132 120.840 118.700 0.013 0.000 2.356 531 N HA 0.461 5.199 4.740 -0.003 0.000 0.252 531 N C 0.513 176.039 175.510 0.027 0.000 1.241 531 N CA 0.736 53.799 53.050 0.022 0.000 0.861 531 N CB 0.853 39.361 38.487 0.035 0.000 1.075 531 N HN 0.639 nan 8.380 nan 0.000 0.461 532 G N -0.893 107.924 108.800 0.029 0.000 3.058 532 G HA2 0.828 4.786 3.960 -0.003 0.000 0.282 532 G HA3 0.828 4.786 3.960 -0.003 0.000 0.282 532 G C -1.735 173.206 174.900 0.069 0.000 1.248 532 G CA -0.269 44.861 45.100 0.050 0.000 0.822 532 G HN 0.682 nan 8.290 nan 0.000 0.579 533 A N -0.855 122.027 122.820 0.103 0.000 2.520 533 A HA 0.703 5.021 4.320 -0.003 0.000 0.298 533 A C -0.666 177.016 177.584 0.163 0.000 1.051 533 A CA -0.592 51.511 52.037 0.109 0.000 0.690 533 A CB 1.059 20.115 19.000 0.095 0.000 1.281 533 A HN 0.708 nan 8.150 nan 0.000 0.402 534 L N 1.219 122.526 121.223 0.140 0.000 2.456 534 L HA 0.249 4.587 4.340 -0.003 0.000 0.272 534 L C -0.267 176.707 176.870 0.175 0.000 1.189 534 L CA -0.331 54.620 54.840 0.185 0.000 0.846 534 L CB 0.825 42.968 42.059 0.139 0.000 1.111 534 L HN 0.416 nan 8.230 nan 0.000 0.475 535 V N 2.502 122.529 119.914 0.190 0.000 2.277 535 V HA 0.172 4.290 4.120 -0.003 0.000 0.269 535 V C 0.131 176.367 176.094 0.237 0.000 1.036 535 V CA -0.310 62.020 62.300 0.050 0.000 0.821 535 V CB 0.903 32.512 31.823 -0.356 0.000 1.052 535 V HN 0.771 nan 8.190 nan 0.000 0.462 536 T N 3.755 118.478 114.554 0.283 0.000 2.749 536 T HA 0.466 4.814 4.350 -0.003 0.000 0.287 536 T C 0.699 175.560 174.700 0.269 0.000 0.970 536 T CA -0.277 61.982 62.100 0.264 0.000 0.980 536 T CB 1.376 70.329 68.868 0.141 0.000 0.924 536 T HN 0.748 nan 8.240 nan 0.000 0.456 537 G N 1.866 110.746 108.800 0.134 0.000 2.378 537 G HA2 0.180 4.138 3.960 -0.003 0.000 0.255 537 G HA3 0.180 4.138 3.960 -0.003 0.000 0.255 537 G C 0.922 175.640 174.900 -0.305 0.000 1.270 537 G CA -0.445 44.387 45.100 -0.447 0.000 0.876 537 G HN 0.783 nan 8.290 nan 0.000 0.521 538 K N 1.304 121.468 120.400 -0.394 0.000 2.026 538 K HA -0.159 4.159 4.320 -0.003 0.000 0.208 538 K C 2.261 178.743 176.600 -0.197 0.000 1.048 538 K CA 1.553 57.701 56.287 -0.231 0.000 0.929 538 K CB -0.121 32.247 32.500 -0.221 0.000 0.713 538 K HN 0.670 nan 8.250 nan 0.000 0.439 539 Q N 0.243 119.895 119.800 -0.246 0.000 2.079 539 Q HA -0.139 4.200 4.340 -0.003 0.000 0.200 539 Q C 1.915 177.831 176.000 -0.140 0.000 0.974 539 Q CA 2.124 57.820 55.803 -0.179 0.000 0.840 539 Q CB 0.006 28.630 28.738 -0.191 0.000 0.898 539 Q HN 0.458 nan 8.270 nan 0.000 0.430 540 S N -1.922 113.688 115.700 -0.151 0.000 2.439 540 S HA 0.157 4.625 4.470 -0.003 0.000 0.224 540 S C 1.492 176.053 174.600 -0.065 0.000 1.029 540 S CA 0.683 58.824 58.200 -0.097 0.000 0.946 540 S CB 0.305 63.456 63.200 -0.080 0.000 0.797 540 S HN 0.640 nan 8.310 nan 0.000 0.504 541 G N 1.518 110.281 108.800 -0.062 0.000 2.155 541 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.257 541 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.257 541 G C 0.159 175.070 174.900 0.019 0.000 0.983 541 G CA 0.424 45.511 45.100 -0.021 0.000 0.676 541 G HN 0.613 nan 8.290 nan 0.000 0.528 542 R N -1.324 119.196 120.500 0.033 0.000 2.691 542 R HA 0.687 5.025 4.340 -0.003 0.000 0.259 542 R C -0.236 176.173 176.300 0.182 0.000 1.048 542 R CA -0.360 55.796 56.100 0.093 0.000 1.086 542 R CB 1.257 31.599 30.300 0.069 0.000 1.166 542 R HN 0.197 nan 8.270 nan 0.000 0.526 543 c N 1.217 119.958 118.600 0.235 0.000 2.411 543 c HA 0.521 5.090 4.570 -0.003 0.000 0.330 543 c C 0.461 174.742 174.090 0.318 0.000 1.224 543 c CA -0.732 55.763 56.329 0.278 0.000 1.770 543 c CB 1.197 43.856 42.510 0.248 0.000 2.297 543 c HN 0.845 nan 8.230 nan 0.000 0.507 544 A N 2.984 125.969 122.820 0.276 0.000 2.522 544 A HA 0.402 4.720 4.320 -0.003 0.000 0.256 544 A C -0.011 177.840 177.584 0.445 0.000 1.086 544 A CA 0.746 52.912 52.037 0.214 0.000 0.763 544 A CB 0.011 18.885 19.000 -0.210 0.000 1.024 544 A HN 0.907 nan 8.150 nan 0.000 0.502 545 D N 2.433 123.060 120.400 0.378 0.000 2.934 545 D HA 0.375 5.013 4.640 -0.003 0.000 0.230 545 D C -1.305 175.148 176.300 0.255 0.000 1.204 545 D CA -0.413 53.766 54.000 0.297 0.000 0.873 545 D CB 1.218 42.203 40.800 0.308 0.000 1.645 545 D HN 0.255 nan 8.370 nan 0.000 0.502 546 I N 3.897 124.561 120.570 0.155 0.000 2.330 546 I HA 0.126 4.294 4.170 -0.003 0.000 0.289 546 I C -0.055 176.127 176.117 0.109 0.000 1.001 546 I CA -0.657 60.741 61.300 0.164 0.000 1.193 546 I CB 0.551 38.648 38.000 0.160 0.000 1.345 546 I HN 0.448 nan 8.210 nan 0.000 0.461 547 Y N 7.741 128.022 120.300 -0.031 0.000 2.805 547 Y HA -0.124 4.424 4.550 -0.003 0.000 0.331 547 Y C 1.312 177.141 175.900 -0.120 0.000 1.241 547 Y CA 0.817 58.813 58.100 -0.174 0.000 1.546 547 Y CB 0.001 38.378 38.460 -0.137 0.000 1.248 547 Y HN 0.777 nan 8.280 nan 0.000 0.559 548 N N 4.100 122.356 118.700 -0.740 0.000 2.725 548 N HA -0.310 4.428 4.740 -0.003 0.000 0.249 548 N C -0.536 174.854 175.510 -0.200 0.000 1.103 548 N CA 1.287 53.960 53.050 -0.628 0.000 0.707 548 N CB -1.360 36.574 38.487 -0.923 0.000 1.043 548 N HN 0.836 nan 8.380 nan 0.000 0.553 549 N N -2.655 116.031 118.700 -0.024 0.000 2.747 549 N HA -0.178 4.560 4.740 -0.003 0.000 0.249 549 N C -0.843 174.841 175.510 0.291 0.000 1.107 549 N CA 1.518 54.690 53.050 0.203 0.000 0.707 549 N CB -1.974 36.658 38.487 0.243 0.000 1.054 549 N HN 0.494 nan 8.380 nan 0.000 0.555 550 T N 1.101 115.779 114.554 0.208 0.000 2.930 550 T HA 0.318 4.666 4.350 -0.003 0.000 0.306 550 T C 1.983 176.813 174.700 0.216 0.000 1.045 550 T CA -0.076 62.157 62.100 0.222 0.000 1.134 550 T CB 0.860 69.826 68.868 0.164 0.000 0.961 550 T HN 0.374 nan 8.240 nan 0.000 0.545 551 I N -1.088 119.583 120.570 0.169 0.000 4.082 551 I HA 0.261 4.429 4.170 -0.003 0.000 0.337 551 I C 0.442 176.606 176.117 0.079 0.000 1.352 551 I CA -0.528 60.811 61.300 0.064 0.000 1.097 551 I CB 0.073 37.976 38.000 -0.163 0.000 1.048 551 I HN 0.340 nan 8.210 nan 0.000 0.393 552 T N 3.384 117.991 114.554 0.087 0.000 2.871 552 T HA 0.056 4.404 4.350 -0.003 0.000 0.296 552 T C 0.295 174.973 174.700 -0.037 0.000 0.998 552 T CA 0.069 62.180 62.100 0.018 0.000 1.162 552 T CB -0.163 68.722 68.868 0.029 0.000 0.947 552 T HN 0.259 nan 8.240 nan 0.000 0.536 553 N N 2.163 120.733 118.700 -0.217 0.000 2.292 553 N HA 0.175 4.913 4.740 -0.003 0.000 0.258 553 N C 1.443 176.856 175.510 -0.162 0.000 1.261 553 N CA 1.456 54.216 53.050 -0.484 0.000 0.845 553 N CB 0.364 38.042 38.487 -1.349 0.000 1.064 553 N HN 1.006 nan 8.380 nan 0.000 0.471 554 G N 0.981 109.926 108.800 0.240 0.000 2.176 554 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.232 554 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.232 554 G C 0.119 175.114 174.900 0.159 0.000 0.986 554 G CA 0.258 45.572 45.100 0.357 0.000 0.643 554 G HN 0.621 nan 8.290 nan 0.000 0.522 555 T N 1.425 116.070 114.554 0.151 0.000 2.867 555 T HA 0.379 4.727 4.350 -0.003 0.000 0.297 555 T C 0.406 175.199 174.700 0.156 0.000 0.989 555 T CA 0.534 62.716 62.100 0.136 0.000 1.159 555 T CB 1.485 70.446 68.868 0.156 0.000 0.928 555 T HN 0.520 nan 8.240 nan 0.000 0.538 556 Q N 1.852 121.723 119.800 0.117 0.000 2.288 556 Q HA 0.510 4.849 4.340 -0.003 0.000 0.254 556 Q C -0.084 176.005 176.000 0.148 0.000 0.932 556 Q CA -0.789 55.084 55.803 0.117 0.000 0.902 556 Q CB 0.639 29.420 28.738 0.071 0.000 1.203 556 Q HN 0.835 nan 8.270 nan 0.000 0.415 557 A N 4.256 127.165 122.820 0.149 0.000 2.445 557 A HA 0.242 4.560 4.320 -0.003 0.000 0.242 557 A C -0.535 177.144 177.584 0.158 0.000 1.075 557 A CA 0.108 52.241 52.037 0.160 0.000 0.777 557 A CB 0.415 19.455 19.000 0.067 0.000 1.013 557 A HN 0.872 nan 8.150 nan 0.000 0.493 558 E N 0.579 120.908 120.200 0.214 0.000 2.416 558 E HA 0.469 4.817 4.350 -0.003 0.000 0.273 558 E C -1.190 175.593 176.600 0.305 0.000 0.935 558 E CA -0.871 55.681 56.400 0.254 0.000 0.784 558 E CB 1.602 31.485 29.700 0.306 0.000 1.301 558 E HN 0.600 nan 8.360 nan 0.000 0.454 559 L N 1.617 123.017 121.223 0.295 0.000 2.416 559 L HA 0.293 4.631 4.340 -0.003 0.000 0.272 559 L C -0.430 176.672 176.870 0.385 0.000 1.161 559 L CA 0.135 55.153 54.840 0.295 0.000 0.845 559 L CB 0.399 42.572 42.059 0.189 0.000 1.119 559 L HN 0.345 nan 8.230 nan 0.000 0.464 560 W N 2.697 124.082 121.300 0.143 0.000 3.167 560 W HA 0.186 4.844 4.660 -0.003 0.000 0.324 560 W C -0.952 175.630 176.519 0.106 0.000 1.230 560 W CA -0.774 56.647 57.345 0.127 0.000 1.184 560 W CB 2.074 31.624 29.460 0.151 0.000 1.414 560 W HN 0.449 nan 8.180 nan 0.000 0.551 561 D N 2.265 122.661 120.400 -0.006 0.000 2.658 561 D HA -0.040 4.598 4.640 -0.003 0.000 0.230 561 D C 0.370 176.819 176.300 0.248 0.000 1.118 561 D CA 1.012 55.069 54.000 0.095 0.000 0.848 561 D CB 0.552 41.377 40.800 0.042 0.000 1.160 561 D HN 0.134 nan 8.370 nan 0.000 0.497 562 c N 3.426 122.125 118.600 0.165 0.000 2.648 562 c HA 0.066 4.635 4.570 -0.003 0.000 0.419 562 c C 1.666 175.839 174.090 0.138 0.000 1.352 562 c CA -0.422 56.002 56.329 0.160 0.000 1.816 562 c CB -0.935 41.646 42.510 0.119 0.000 2.598 562 c HN 0.700 nan 8.230 nan 0.000 0.598 563 N N 0.186 118.965 118.700 0.131 0.000 2.067 563 N HA 0.215 4.953 4.740 -0.003 0.000 0.227 563 N C 0.946 176.493 175.510 0.061 0.000 1.348 563 N CA 0.562 53.670 53.050 0.096 0.000 0.879 563 N CB 0.012 38.565 38.487 0.109 0.000 1.109 563 N HN 0.928 nan 8.380 nan 0.000 0.501 564 G N -0.602 108.232 108.800 0.057 0.000 2.148 564 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.254 564 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.254 564 G C 0.477 175.379 174.900 0.004 0.000 0.981 564 G CA 0.125 45.243 45.100 0.030 0.000 0.670 564 G HN 0.760 nan 8.290 nan 0.000 0.528 565 G N -0.110 108.692 108.800 0.003 0.000 2.667 565 G HA2 0.490 4.448 3.960 -0.003 0.000 0.250 565 G HA3 0.490 4.448 3.960 -0.003 0.000 0.250 565 G C -0.453 174.415 174.900 -0.052 0.000 1.212 565 G CA -0.147 44.945 45.100 -0.013 0.000 0.874 565 G HN 0.113 nan 8.290 nan 0.000 0.561 566 P HA -0.100 nan 4.420 nan 0.000 0.220 566 P C 1.388 178.552 177.300 -0.227 0.000 1.148 566 P CA 0.972 64.033 63.100 -0.065 0.000 0.803 566 P CB 0.103 31.846 31.700 0.072 0.000 0.782 567 N N -0.741 117.882 118.700 -0.130 0.000 2.449 567 N HA -0.082 4.656 4.740 -0.003 0.000 0.191 567 N C 0.953 176.244 175.510 -0.364 0.000 1.161 567 N CA 0.601 53.481 53.050 -0.283 0.000 0.863 567 N CB -0.524 37.957 38.487 -0.009 0.000 0.980 567 N HN 0.282 nan 8.380 nan 0.000 0.458 568 Q N -0.956 118.648 119.800 -0.326 0.000 2.140 568 Q HA 0.174 4.512 4.340 -0.003 0.000 0.227 568 Q C -0.584 175.249 176.000 -0.279 0.000 0.798 568 Q CA -0.142 55.551 55.803 -0.185 0.000 0.987 568 Q CB 0.845 29.599 28.738 0.026 0.000 1.161 568 Q HN 0.174 nan 8.270 nan 0.000 0.480 569 S N 0.642 116.063 115.700 -0.466 0.000 2.434 569 S HA 0.329 4.797 4.470 -0.003 0.000 0.318 569 S C -1.393 172.963 174.600 -0.406 0.000 1.062 569 S CA -0.580 57.449 58.200 -0.284 0.000 1.116 569 S CB 0.025 63.121 63.200 -0.174 0.000 0.977 569 S HN 0.184 nan 8.310 nan 0.000 0.480 570 W N 3.118 124.367 121.300 -0.086 0.000 2.391 570 W HA 0.378 5.036 4.660 -0.003 0.000 0.311 570 W C 0.313 176.814 176.519 -0.030 0.000 1.087 570 W CA -0.705 56.587 57.345 -0.089 0.000 1.209 570 W CB 1.283 30.669 29.460 -0.123 0.000 1.273 570 W HN 0.310 nan 8.180 nan 0.000 0.482 571 T N 3.681 118.343 114.554 0.180 0.000 2.749 571 T HA 0.106 4.454 4.350 -0.003 0.000 0.287 571 T C -1.156 173.675 174.700 0.218 0.000 0.970 571 T CA -0.348 61.842 62.100 0.150 0.000 0.980 571 T CB 0.070 68.978 68.868 0.066 0.000 0.924 571 T HN 0.144 nan 8.240 nan 0.000 0.456 572 Y N 4.508 124.854 120.300 0.075 0.000 2.404 572 Y HA 0.386 4.935 4.550 -0.003 0.000 0.344 572 Y C 0.955 176.892 175.900 0.062 0.000 0.995 572 Y CA -0.921 57.220 58.100 0.069 0.000 1.201 572 Y CB 0.210 38.702 38.460 0.053 0.000 1.151 572 Y HN 0.698 nan 8.280 nan 0.000 0.517 573 T N 0.388 114.764 114.554 -0.297 0.000 2.912 573 T HA 0.244 4.592 4.350 -0.003 0.000 0.280 573 T C 1.189 175.656 174.700 -0.388 0.000 0.989 573 T CA -0.173 61.782 62.100 -0.241 0.000 0.995 573 T CB 1.200 69.998 68.868 -0.116 0.000 1.077 573 T HN 0.634 nan 8.240 nan 0.000 0.531 574 S N 0.245 115.823 115.700 -0.204 0.000 2.500 574 S HA -0.070 4.398 4.470 -0.003 0.000 0.239 574 S C 1.521 176.029 174.600 -0.154 0.000 0.989 574 S CA 0.177 58.279 58.200 -0.163 0.000 0.951 574 S CB -0.537 62.613 63.200 -0.084 0.000 0.759 574 S HN 0.766 nan 8.310 nan 0.000 0.523 575 R N 1.025 121.433 120.500 -0.153 0.000 2.334 575 R HA 0.296 4.635 4.340 -0.003 0.000 0.220 575 R C 0.117 176.354 176.300 -0.105 0.000 0.917 575 R CA -0.016 56.026 56.100 -0.098 0.000 1.073 575 R CB -0.127 30.142 30.300 -0.053 0.000 1.056 575 R HN 0.353 nan 8.270 nan 0.000 0.506 576 K N 0.329 120.580 120.400 -0.248 0.000 3.281 576 K HA -0.195 4.123 4.320 -0.003 0.000 0.295 576 K C -0.913 175.734 176.600 0.079 0.000 1.233 576 K CA 0.979 57.148 56.287 -0.197 0.000 0.866 576 K CB -1.225 31.306 32.500 0.052 0.000 1.265 576 K HN 0.391 nan 8.250 nan 0.000 0.482 577 E N 0.636 120.848 120.200 0.020 0.000 2.343 577 E HA 0.367 4.715 4.350 -0.003 0.000 0.269 577 E C -0.147 176.620 176.600 0.278 0.000 1.047 577 E CA -0.405 56.125 56.400 0.218 0.000 0.874 577 E CB 0.886 30.671 29.700 0.141 0.000 1.033 577 E HN 0.116 nan 8.360 nan 0.000 0.409 578 L N 2.862 124.279 121.223 0.324 0.000 2.277 578 L HA 0.316 4.655 4.340 -0.003 0.000 0.284 578 L C -1.043 176.044 176.870 0.362 0.000 1.028 578 L CA -0.775 54.218 54.840 0.254 0.000 0.835 578 L CB 1.070 43.059 42.059 -0.117 0.000 1.215 578 L HN 0.256 nan 8.230 nan 0.000 0.425 579 V N 4.486 124.583 119.914 0.305 0.000 2.435 579 V HA 0.424 4.542 4.120 -0.003 0.000 0.290 579 V C -0.201 175.900 176.094 0.013 0.000 1.030 579 V CA -0.583 61.828 62.300 0.186 0.000 0.881 579 V CB 2.190 34.073 31.823 0.100 0.000 0.983 579 V HN 0.406 nan 8.190 nan 0.000 0.445 580 L N 5.323 126.434 121.223 -0.187 0.000 2.334 580 L HA 0.615 4.953 4.340 -0.003 0.000 0.276 580 L C -0.294 176.320 176.870 -0.427 0.000 1.014 580 L CA 0.068 54.498 54.840 -0.683 0.000 0.815 580 L CB 0.989 42.300 42.059 -1.246 0.000 1.268 580 L HN 0.666 nan 8.230 nan 0.000 0.428 581 Y N 3.107 123.247 120.300 -0.267 0.000 4.753 581 Y HA -0.196 4.352 4.550 -0.003 0.000 0.232 581 Y C 1.548 177.336 175.900 -0.187 0.000 1.029 581 Y CA 1.185 59.139 58.100 -0.244 0.000 1.996 581 Y CB -2.183 36.109 38.460 -0.279 0.000 1.602 581 Y HN 0.920 nan 8.280 nan 0.000 0.621 582 G N 0.049 108.833 108.800 -0.027 0.000 2.212 582 G HA2 -0.413 3.545 3.960 -0.003 0.000 0.266 582 G HA3 -0.413 3.545 3.960 -0.003 0.000 0.266 582 G C 0.510 175.424 174.900 0.023 0.000 0.978 582 G CA 1.090 46.182 45.100 -0.013 0.000 0.632 582 G HN 1.175 nan 8.290 nan 0.000 0.537 583 N N -1.743 116.984 118.700 0.045 0.000 2.110 583 N HA 0.213 4.951 4.740 -0.003 0.000 0.230 583 N C -0.175 175.393 175.510 0.096 0.000 1.353 583 N CA -0.240 52.850 53.050 0.068 0.000 0.807 583 N CB 0.525 39.039 38.487 0.046 0.000 1.244 583 N HN 0.222 nan 8.380 nan 0.000 0.504 584 K N 0.467 120.935 120.400 0.112 0.000 2.378 584 K HA 0.502 4.820 4.320 -0.003 0.000 0.252 584 K C -1.105 175.611 176.600 0.194 0.000 0.931 584 K CA -0.385 55.996 56.287 0.157 0.000 0.794 584 K CB 2.314 34.927 32.500 0.188 0.000 1.181 584 K HN 0.070 nan 8.250 nan 0.000 0.425 585 c N 2.530 121.291 118.600 0.268 0.000 2.355 585 c HA 0.354 4.922 4.570 -0.003 0.000 0.332 585 c C 0.211 174.533 174.090 0.387 0.000 1.255 585 c CA -0.899 55.621 56.329 0.318 0.000 1.792 585 c CB 0.462 43.149 42.510 0.295 0.000 2.300 585 c HN 0.740 nan 8.230 nan 0.000 0.515 586 L N 4.408 125.859 121.223 0.381 0.000 2.499 586 L HA 0.239 4.577 4.340 -0.003 0.000 0.273 586 L C 0.067 177.255 176.870 0.530 0.000 1.195 586 L CA 1.477 56.470 54.840 0.256 0.000 0.882 586 L CB 0.037 41.896 42.059 -0.334 0.000 1.133 586 L HN 0.678 nan 8.230 nan 0.000 0.483 587 D N 4.274 124.964 120.400 0.483 0.000 2.970 587 D HA 0.362 5.000 4.640 -0.003 0.000 0.230 587 D C -1.245 175.263 176.300 0.347 0.000 1.276 587 D CA -0.467 53.775 54.000 0.403 0.000 0.910 587 D CB 1.971 42.983 40.800 0.354 0.000 1.590 587 D HN 0.689 nan 8.370 nan 0.000 0.551 588 A N 4.016 126.959 122.820 0.205 0.000 2.410 588 A HA 0.187 4.505 4.320 -0.003 0.000 0.292 588 A C -0.318 177.304 177.584 0.063 0.000 1.232 588 A CA -0.374 51.737 52.037 0.124 0.000 0.893 588 A CB -0.382 18.593 19.000 -0.040 0.000 1.131 588 A HN 0.538 nan 8.150 nan 0.000 0.530 589 Y N 3.617 123.920 120.300 0.004 0.000 2.805 589 Y HA -0.043 4.506 4.550 -0.003 0.000 0.331 589 Y C 1.061 176.892 175.900 -0.115 0.000 1.241 589 Y CA 1.405 59.467 58.100 -0.063 0.000 1.546 589 Y CB 0.020 38.478 38.460 -0.003 0.000 1.248 589 Y HN 0.933 nan 8.280 nan 0.000 0.559 590 N N 3.843 121.994 118.700 -0.914 0.000 2.725 590 N HA -0.269 4.469 4.740 -0.003 0.000 0.249 590 N C -0.168 175.111 175.510 -0.385 0.000 1.103 590 N CA 1.356 53.949 53.050 -0.761 0.000 0.707 590 N CB -1.205 36.748 38.487 -0.890 0.000 1.043 590 N HN 0.822 nan 8.380 nan 0.000 0.553 591 L N -3.349 117.700 121.223 -0.290 0.000 3.843 591 L HA -0.196 4.143 4.340 -0.003 0.000 0.411 591 L C 1.207 177.984 176.870 -0.155 0.000 1.205 591 L CA 1.021 55.742 54.840 -0.198 0.000 0.945 591 L CB -2.110 39.840 42.059 -0.183 0.000 1.929 591 L HN 0.487 nan 8.230 nan 0.000 0.934 592 G N -0.217 108.504 108.800 -0.132 0.000 2.414 592 G HA2 0.337 4.295 3.960 -0.003 0.000 0.236 592 G HA3 0.337 4.295 3.960 -0.003 0.000 0.236 592 G C 1.006 175.857 174.900 -0.081 0.000 1.293 592 G CA 0.347 45.396 45.100 -0.085 0.000 0.869 592 G HN 0.519 nan 8.290 nan 0.000 0.556 593 T N -2.005 112.500 114.554 -0.082 0.000 3.091 593 T HA 0.317 4.666 4.350 -0.003 0.000 0.277 593 T C 0.855 175.499 174.700 -0.095 0.000 0.996 593 T CA 0.467 62.515 62.100 -0.086 0.000 0.897 593 T CB 0.085 68.902 68.868 -0.085 0.000 1.109 593 T HN 0.816 nan 8.240 nan 0.000 0.534 594 T N -0.030 114.463 114.554 -0.102 0.000 2.930 594 T HA 0.563 4.912 4.350 -0.003 0.000 0.290 594 T C -0.481 174.092 174.700 -0.212 0.000 1.052 594 T CA -0.969 61.038 62.100 -0.155 0.000 1.017 594 T CB 0.980 69.766 68.868 -0.137 0.000 1.137 594 T HN -0.029 nan 8.240 nan 0.000 0.511 595 N N 0.824 119.273 118.700 -0.419 0.000 2.294 595 N HA 0.315 5.053 4.740 -0.003 0.000 0.263 595 N C 1.487 176.788 175.510 -0.350 0.000 1.281 595 N CA 1.817 54.404 53.050 -0.771 0.000 0.846 595 N CB 0.230 37.696 38.487 -1.702 0.000 1.061 595 N HN 1.233 nan 8.380 nan 0.000 0.478 596 G N 1.056 109.876 108.800 0.034 0.000 2.195 596 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.224 596 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.224 596 G C 0.211 175.158 174.900 0.078 0.000 0.990 596 G CA 0.128 45.340 45.100 0.187 0.000 0.639 596 G HN 0.622 nan 8.290 nan 0.000 0.514 597 T N 2.649 117.240 114.554 0.061 0.000 2.866 597 T HA 0.287 4.635 4.350 -0.003 0.000 0.293 597 T C 0.783 175.551 174.700 0.114 0.000 1.005 597 T CA 0.627 62.773 62.100 0.077 0.000 1.162 597 T CB 0.554 69.454 68.868 0.054 0.000 0.968 597 T HN 0.405 nan 8.240 nan 0.000 0.530 598 K N 2.329 122.803 120.400 0.124 0.000 2.401 598 K HA 0.282 4.600 4.320 -0.003 0.000 0.278 598 K C -0.382 176.321 176.600 0.172 0.000 1.018 598 K CA -0.420 55.935 56.287 0.113 0.000 0.981 598 K CB 0.687 33.224 32.500 0.062 0.000 0.933 598 K HN 0.281 nan 8.250 nan 0.000 0.477 599 V N 4.591 124.598 119.914 0.155 0.000 2.347 599 V HA 0.233 4.351 4.120 -0.003 0.000 0.280 599 V C 0.086 176.278 176.094 0.162 0.000 1.021 599 V CA -0.593 61.818 62.300 0.186 0.000 0.847 599 V CB 1.039 32.943 31.823 0.134 0.000 0.990 599 V HN 0.618 nan 8.190 nan 0.000 0.444 600 V N 3.961 124.015 119.914 0.232 0.000 3.164 600 V HA 0.739 4.857 4.120 -0.003 0.000 0.313 600 V C -0.297 175.992 176.094 0.325 0.000 1.188 600 V CA -1.140 61.316 62.300 0.260 0.000 1.058 600 V CB 2.190 34.191 31.823 0.297 0.000 1.110 600 V HN 0.759 nan 8.190 nan 0.000 0.453 601 I N -1.161 119.617 120.570 0.346 0.000 2.488 601 I HA 0.672 4.841 4.170 -0.003 0.000 0.299 601 I C -0.664 175.728 176.117 0.459 0.000 0.984 601 I CA -0.348 61.177 61.300 0.376 0.000 1.250 601 I CB 1.685 39.869 38.000 0.306 0.000 1.389 601 I HN 0.875 nan 8.210 nan 0.000 0.488 602 W N 3.850 125.274 121.300 0.206 0.000 3.213 602 W HA 0.289 4.947 4.660 -0.003 0.000 0.318 602 W C -1.219 175.395 176.519 0.160 0.000 1.248 602 W CA -0.486 56.968 57.345 0.181 0.000 1.187 602 W CB 2.113 31.685 29.460 0.186 0.000 1.403 602 W HN 0.573 nan 8.180 nan 0.000 0.556 603 D N 2.139 122.577 120.400 0.063 0.000 2.571 603 D HA -0.006 4.632 4.640 -0.003 0.000 0.231 603 D C 0.354 176.841 176.300 0.313 0.000 1.133 603 D CA 0.888 54.983 54.000 0.158 0.000 0.862 603 D CB 0.671 41.514 40.800 0.071 0.000 1.179 603 D HN 0.140 nan 8.370 nan 0.000 0.474 604 c N 3.194 121.926 118.600 0.221 0.000 2.648 604 c HA 0.062 4.630 4.570 -0.003 0.000 0.419 604 c C 1.595 175.792 174.090 0.178 0.000 1.352 604 c CA -0.455 55.994 56.329 0.201 0.000 1.816 604 c CB -0.911 41.690 42.510 0.151 0.000 2.598 604 c HN 0.656 nan 8.230 nan 0.000 0.598 605 N N 0.298 119.094 118.700 0.160 0.000 2.116 605 N HA 0.212 4.950 4.740 -0.003 0.000 0.230 605 N C 0.893 176.445 175.510 0.071 0.000 1.326 605 N CA 0.493 53.617 53.050 0.123 0.000 0.867 605 N CB -0.023 38.550 38.487 0.143 0.000 1.174 605 N HN 0.963 nan 8.380 nan 0.000 0.506 606 G N 0.006 108.843 108.800 0.061 0.000 2.184 606 G HA2 -0.351 3.607 3.960 -0.003 0.000 0.264 606 G HA3 -0.351 3.607 3.960 -0.003 0.000 0.264 606 G C -0.221 174.681 174.900 0.003 0.000 0.975 606 G CA 0.518 45.636 45.100 0.029 0.000 0.642 606 G HN 0.515 nan 8.290 nan 0.000 0.536 607 Q N -0.487 119.311 119.800 -0.003 0.000 2.368 607 Q HA 0.628 4.966 4.340 -0.003 0.000 0.237 607 Q C 1.731 177.689 176.000 -0.070 0.000 0.987 607 Q CA 0.027 55.805 55.803 -0.041 0.000 0.896 607 Q CB 0.919 29.622 28.738 -0.058 0.000 1.241 607 Q HN 0.533 nan 8.270 nan 0.000 0.485 608 A N 2.088 124.850 122.820 -0.096 0.000 2.067 608 A HA -0.185 4.133 4.320 -0.003 0.000 0.219 608 A C 1.454 178.909 177.584 -0.215 0.000 1.158 608 A CA 1.530 53.486 52.037 -0.135 0.000 0.661 608 A CB -0.506 18.422 19.000 -0.120 0.000 0.801 608 A HN 0.867 nan 8.150 nan 0.000 0.452 609 N N -0.249 118.331 118.700 -0.200 0.000 2.515 609 N HA -0.116 4.622 4.740 -0.003 0.000 0.185 609 N C 0.964 176.311 175.510 -0.272 0.000 1.109 609 N CA 0.829 53.723 53.050 -0.260 0.000 0.903 609 N CB -0.347 38.026 38.487 -0.190 0.000 0.969 609 N HN 0.665 nan 8.380 nan 0.000 0.450 610 Q N -0.253 119.448 119.800 -0.166 0.000 2.198 610 Q HA 0.229 4.567 4.340 -0.003 0.000 0.209 610 Q C -0.405 175.555 176.000 -0.067 0.000 0.848 610 Q CA 0.011 55.816 55.803 0.004 0.000 0.974 610 Q CB 0.700 29.516 28.738 0.129 0.000 1.115 610 Q HN 0.307 nan 8.270 nan 0.000 0.494 611 K N 0.302 120.492 120.400 -0.351 0.000 2.182 611 K HA 0.401 4.720 4.320 -0.003 0.000 0.262 611 K C -1.329 174.976 176.600 -0.491 0.000 0.957 611 K CA -0.329 55.824 56.287 -0.224 0.000 0.842 611 K CB 1.243 33.669 32.500 -0.124 0.000 1.099 611 K HN -0.073 nan 8.250 nan 0.000 0.438 612 W N 1.131 122.494 121.300 0.105 0.000 2.998 612 W HA 0.325 4.983 4.660 -0.003 0.000 0.335 612 W C -0.368 176.241 176.519 0.151 0.000 1.110 612 W CA -0.726 56.675 57.345 0.094 0.000 1.230 612 W CB 1.206 30.698 29.460 0.054 0.000 1.405 612 W HN 0.333 nan 8.180 nan 0.000 0.493 613 N N 2.977 121.838 118.700 0.268 0.000 2.426 613 N HA 0.444 5.182 4.740 -0.003 0.000 0.275 613 N C -0.850 174.720 175.510 0.100 0.000 1.019 613 N CA -0.455 52.704 53.050 0.182 0.000 0.941 613 N CB 1.483 40.039 38.487 0.116 0.000 1.123 613 N HN 0.362 nan 8.380 nan 0.000 0.486 614 I N 2.617 123.184 120.570 -0.005 0.000 2.287 614 I HA 0.160 4.328 4.170 -0.003 0.000 0.290 614 I C 0.046 176.158 176.117 -0.009 0.000 1.069 614 I CA -0.587 60.660 61.300 -0.088 0.000 1.237 614 I CB 0.250 38.068 38.000 -0.303 0.000 1.418 614 I HN 0.182 nan 8.210 nan 0.000 0.481 615 N N 3.456 122.174 118.700 0.030 0.000 2.495 615 N HA 0.130 4.868 4.740 -0.003 0.000 0.280 615 N C 1.139 176.671 175.510 0.037 0.000 1.168 615 N CA -0.258 52.818 53.050 0.044 0.000 0.978 615 N CB 1.618 40.142 38.487 0.061 0.000 1.191 615 N HN 0.555 nan 8.380 nan 0.000 0.497 616 S N -0.391 115.329 115.700 0.035 0.000 2.442 616 S HA -0.175 4.294 4.470 -0.003 0.000 0.236 616 S C 0.838 175.455 174.600 0.029 0.000 1.007 616 S CA 1.036 59.254 58.200 0.029 0.000 0.965 616 S CB -0.266 62.950 63.200 0.026 0.000 0.773 616 S HN 0.687 nan 8.310 nan 0.000 0.504 617 D N 0.368 120.789 120.400 0.035 0.000 2.328 617 D HA 0.255 4.894 4.640 -0.003 0.000 0.226 617 D C 1.399 177.720 176.300 0.036 0.000 1.066 617 D CA 0.562 54.581 54.000 0.032 0.000 0.861 617 D CB -0.627 40.194 40.800 0.034 0.000 0.912 617 D HN 0.577 nan 8.370 nan 0.000 0.521 618 G N 0.089 108.919 108.800 0.049 0.000 2.195 618 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.246 618 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.246 618 G C 0.527 175.510 174.900 0.138 0.000 0.984 618 G CA 0.478 45.618 45.100 0.066 0.000 0.633 618 G HN 0.791 nan 8.290 nan 0.000 0.525 619 T N -0.775 113.861 114.554 0.138 0.000 2.882 619 T HA 0.693 5.041 4.350 -0.003 0.000 0.287 619 T C 0.226 175.044 174.700 0.196 0.000 1.014 619 T CA -0.438 61.791 62.100 0.215 0.000 1.049 619 T CB 2.014 70.980 68.868 0.163 0.000 1.001 619 T HN 0.583 nan 8.240 nan 0.000 0.525 620 I N 2.562 123.262 120.570 0.217 0.000 2.411 620 I HA 0.301 4.469 4.170 -0.003 0.000 0.284 620 I C 0.319 176.574 176.117 0.230 0.000 1.012 620 I CA -0.835 60.532 61.300 0.112 0.000 1.119 620 I CB 1.853 39.764 38.000 -0.148 0.000 1.261 620 I HN 0.879 nan 8.210 nan 0.000 0.448 621 T N 1.737 116.432 114.554 0.235 0.000 2.867 621 T HA 0.283 4.631 4.350 -0.003 0.000 0.282 621 T C -0.113 174.684 174.700 0.162 0.000 1.000 621 T CA -0.856 61.367 62.100 0.205 0.000 1.042 621 T CB 1.799 70.731 68.868 0.108 0.000 0.973 621 T HN 0.488 nan 8.240 nan 0.000 0.465 622 N N 2.253 120.926 118.700 -0.045 0.000 2.470 622 N HA 0.054 4.792 4.740 -0.003 0.000 0.268 622 N C 1.190 176.501 175.510 -0.331 0.000 1.136 622 N CA -0.254 52.452 53.050 -0.574 0.000 0.961 622 N CB 1.247 39.328 38.487 -0.677 0.000 1.067 622 N HN 0.455 nan 8.380 nan 0.000 0.468 623 V N 4.203 123.904 119.914 -0.355 0.000 2.407 623 V HA -0.234 3.885 4.120 -0.003 0.000 0.248 623 V C 2.265 178.255 176.094 -0.173 0.000 1.055 623 V CA 1.605 63.790 62.300 -0.193 0.000 1.049 623 V CB -0.816 30.912 31.823 -0.158 0.000 0.662 623 V HN 0.728 nan 8.190 nan 0.000 0.455 624 N N 0.692 119.256 118.700 -0.226 0.000 2.061 624 N HA -0.160 4.578 4.740 -0.003 0.000 0.193 624 N C 1.277 176.709 175.510 -0.130 0.000 1.030 624 N CA 2.159 55.106 53.050 -0.171 0.000 0.856 624 N CB -0.202 38.171 38.487 -0.191 0.000 1.023 624 N HN 0.464 nan 8.380 nan 0.000 0.424 625 A N -2.329 120.412 122.820 -0.131 0.000 2.585 625 A HA 0.548 4.867 4.320 -0.003 0.000 0.266 625 A C 1.110 178.653 177.584 -0.068 0.000 1.178 625 A CA 0.412 52.394 52.037 -0.092 0.000 0.966 625 A CB -0.116 18.830 19.000 -0.089 0.000 1.170 625 A HN 0.457 nan 8.150 nan 0.000 0.558 626 G N -0.199 108.559 108.800 -0.070 0.000 2.153 626 G HA2 -0.218 3.741 3.960 -0.003 0.000 0.252 626 G HA3 -0.218 3.741 3.960 -0.003 0.000 0.252 626 G C 0.120 175.022 174.900 0.005 0.000 0.994 626 G CA 0.537 45.620 45.100 -0.029 0.000 0.698 626 G HN 0.482 nan 8.290 nan 0.000 0.521 627 L N -0.568 120.657 121.223 0.002 0.000 2.421 627 L HA 0.499 4.838 4.340 -0.003 0.000 0.263 627 L C 1.052 178.003 176.870 0.134 0.000 1.122 627 L CA -0.988 53.888 54.840 0.059 0.000 0.804 627 L CB 1.171 43.253 42.059 0.038 0.000 1.150 627 L HN 0.190 nan 8.230 nan 0.000 0.457 628 c N 2.072 120.792 118.600 0.201 0.000 2.401 628 c HA 0.319 4.887 4.570 -0.003 0.000 0.365 628 c C 0.430 174.712 174.090 0.319 0.000 1.250 628 c CA -0.726 55.760 56.329 0.261 0.000 2.131 628 c CB 0.895 43.562 42.510 0.262 0.000 2.445 628 c HN 0.492 nan 8.230 nan 0.000 0.550 629 L N 4.554 125.963 121.223 0.310 0.000 2.513 629 L HA 0.267 4.606 4.340 -0.003 0.000 0.272 629 L C 0.011 177.150 176.870 0.449 0.000 1.187 629 L CA 1.353 56.321 54.840 0.214 0.000 0.895 629 L CB 0.011 41.916 42.059 -0.256 0.000 1.147 629 L HN 0.678 nan 8.230 nan 0.000 0.483 630 D N 4.436 125.086 120.400 0.416 0.000 2.936 630 D HA 0.383 5.021 4.640 -0.003 0.000 0.238 630 D C -1.266 175.254 176.300 0.367 0.000 1.248 630 D CA -0.450 53.793 54.000 0.405 0.000 0.903 630 D CB 2.043 43.052 40.800 0.348 0.000 1.544 630 D HN 0.736 nan 8.370 nan 0.000 0.543 631 A N 3.869 126.871 122.820 0.304 0.000 2.395 631 A HA 0.189 4.507 4.320 -0.003 0.000 0.286 631 A C -0.340 177.323 177.584 0.132 0.000 1.193 631 A CA -0.373 51.795 52.037 0.218 0.000 0.852 631 A CB -0.274 18.790 19.000 0.107 0.000 1.118 631 A HN 0.532 nan 8.150 nan 0.000 0.524 632 Y N 3.833 124.150 120.300 0.028 0.000 2.805 632 Y HA -0.078 4.470 4.550 -0.003 0.000 0.331 632 Y C 0.860 176.694 175.900 -0.110 0.000 1.241 632 Y CA 1.026 59.099 58.100 -0.045 0.000 1.546 632 Y CB -0.094 38.379 38.460 0.021 0.000 1.248 632 Y HN 0.889 nan 8.280 nan 0.000 0.559 633 N N 3.023 121.356 118.700 -0.611 0.000 2.753 633 N HA -0.265 4.473 4.740 -0.003 0.000 0.251 633 N C 0.463 175.777 175.510 -0.327 0.000 1.097 633 N CA 1.231 53.926 53.050 -0.593 0.000 0.786 633 N CB -1.532 36.526 38.487 -0.717 0.000 1.137 633 N HN 1.238 nan 8.380 nan 0.000 0.566 634 A N -2.489 120.187 122.820 -0.240 0.000 2.826 634 A HA -0.100 4.218 4.320 -0.003 0.000 0.274 634 A C 0.891 178.393 177.584 -0.136 0.000 1.443 634 A CA 1.823 53.758 52.037 -0.170 0.000 0.833 634 A CB -1.899 16.998 19.000 -0.173 0.000 1.023 634 A HN 1.521 nan 8.150 nan 0.000 0.600 635 A N -0.504 122.244 122.820 -0.119 0.000 2.425 635 A HA 0.595 4.913 4.320 -0.003 0.000 0.242 635 A C 1.401 178.947 177.584 -0.062 0.000 1.077 635 A CA 0.974 52.962 52.037 -0.083 0.000 0.781 635 A CB 0.114 19.080 19.000 -0.057 0.000 1.020 635 A HN 1.784 nan 8.150 nan 0.000 0.494 636 T N -1.414 113.101 114.554 -0.065 0.000 3.003 636 T HA 0.528 4.876 4.350 -0.003 0.000 0.261 636 T C 0.677 175.339 174.700 -0.064 0.000 1.003 636 T CA 0.539 62.600 62.100 -0.065 0.000 0.917 636 T CB -0.216 68.606 68.868 -0.077 0.000 1.084 636 T HN 1.179 nan 8.240 nan 0.000 0.522 637 A N 2.085 124.863 122.820 -0.070 0.000 2.287 637 A HA 0.569 4.887 4.320 -0.003 0.000 0.273 637 A C 0.219 177.718 177.584 -0.142 0.000 1.091 637 A CA -0.717 51.253 52.037 -0.111 0.000 0.817 637 A CB -0.021 18.915 19.000 -0.106 0.000 1.069 637 A HN 0.356 nan 8.150 nan 0.000 0.492 638 N N 0.050 118.568 118.700 -0.304 0.000 2.293 638 N HA 0.243 4.981 4.740 -0.003 0.000 0.253 638 N C 1.177 176.543 175.510 -0.240 0.000 1.248 638 N CA 1.837 54.559 53.050 -0.548 0.000 0.845 638 N CB 0.482 38.220 38.487 -1.249 0.000 1.073 638 N HN 1.342 nan 8.380 nan 0.000 0.464 639 G N 0.840 109.686 108.800 0.077 0.000 2.175 639 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.244 639 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.244 639 G C 0.153 175.145 174.900 0.154 0.000 0.982 639 G CA 0.334 45.566 45.100 0.220 0.000 0.641 639 G HN 0.635 nan 8.290 nan 0.000 0.527 640 T N 2.571 117.199 114.554 0.124 0.000 2.829 640 T HA 0.427 4.775 4.350 -0.003 0.000 0.293 640 T C 0.878 175.685 174.700 0.180 0.000 0.970 640 T CA 0.829 63.010 62.100 0.135 0.000 1.168 640 T CB 0.944 69.874 68.868 0.102 0.000 0.911 640 T HN 0.385 nan 8.240 nan 0.000 0.535 641 S N 3.648 119.458 115.700 0.184 0.000 2.562 641 S HA 0.238 4.707 4.470 -0.003 0.000 0.281 641 S C 0.415 175.124 174.600 0.181 0.000 1.333 641 S CA -0.662 57.632 58.200 0.157 0.000 1.052 641 S CB 0.222 63.475 63.200 0.089 0.000 0.884 641 S HN 0.439 nan 8.310 nan 0.000 0.506 642 L N 3.775 125.088 121.223 0.149 0.000 2.292 642 L HA 0.646 4.984 4.340 -0.003 0.000 0.284 642 L C 0.128 177.076 176.870 0.130 0.000 1.065 642 L CA -0.666 54.264 54.840 0.149 0.000 0.806 642 L CB 0.824 42.920 42.059 0.061 0.000 1.175 642 L HN 0.478 nan 8.230 nan 0.000 0.431 643 V N 1.120 121.146 119.914 0.187 0.000 3.167 643 V HA 0.562 4.680 4.120 -0.003 0.000 0.310 643 V C -0.484 175.774 176.094 0.273 0.000 1.207 643 V CA -1.095 61.327 62.300 0.203 0.000 1.059 643 V CB 2.177 34.123 31.823 0.205 0.000 1.079 643 V HN 0.543 nan 8.190 nan 0.000 0.446 644 L N 1.818 123.200 121.223 0.266 0.000 2.350 644 L HA 0.542 4.880 4.340 -0.003 0.000 0.275 644 L C -0.584 176.505 176.870 0.365 0.000 1.099 644 L CA -0.099 54.905 54.840 0.273 0.000 0.808 644 L CB 1.388 43.543 42.059 0.161 0.000 1.149 644 L HN 0.750 nan 8.230 nan 0.000 0.442 645 W N 1.665 123.044 121.300 0.130 0.000 3.296 645 W HA 0.172 4.830 4.660 -0.003 0.000 0.314 645 W C -0.360 176.215 176.519 0.095 0.000 1.238 645 W CA -0.653 56.761 57.345 0.115 0.000 1.193 645 W CB 2.263 31.805 29.460 0.137 0.000 1.383 645 W HN 0.412 nan 8.180 nan 0.000 0.545 646 S N 2.316 118.030 115.700 0.024 0.000 2.626 646 S HA 0.015 4.483 4.470 -0.003 0.000 0.303 646 S C 0.268 175.026 174.600 0.262 0.000 1.256 646 S CA 0.425 58.688 58.200 0.105 0.000 1.069 646 S CB -0.278 62.934 63.200 0.020 0.000 0.807 646 S HN 0.377 nan 8.310 nan 0.000 0.500 647 c N 5.511 124.214 118.600 0.171 0.000 2.648 647 c HA 0.634 5.202 4.570 -0.003 0.000 0.419 647 c C 1.338 175.509 174.090 0.135 0.000 1.352 647 c CA 0.013 56.438 56.329 0.160 0.000 1.816 647 c CB -0.640 41.942 42.510 0.120 0.000 2.598 647 c HN 1.016 nan 8.230 nan 0.000 0.598 648 G N 1.485 110.359 108.800 0.123 0.000 3.183 648 G HA2 0.576 4.534 3.960 -0.003 0.000 0.247 648 G HA3 0.576 4.534 3.960 -0.003 0.000 0.247 648 G C 0.520 175.451 174.900 0.053 0.000 1.211 648 G CA 0.472 45.622 45.100 0.084 0.000 0.835 648 G HN 0.565 nan 8.290 nan 0.000 0.604 649 T N -2.055 112.516 114.554 0.028 0.000 3.069 649 T HA 0.383 4.732 4.350 -0.003 0.000 0.252 649 T C 1.149 175.839 174.700 -0.017 0.000 1.053 649 T CA 0.683 62.787 62.100 0.007 0.000 0.964 649 T CB 0.221 69.092 68.868 0.004 0.000 1.005 649 T HN 0.836 nan 8.240 nan 0.000 0.532 650 G N 0.859 109.644 108.800 -0.024 0.000 2.441 650 G HA2 0.287 4.245 3.960 -0.003 0.000 0.243 650 G HA3 0.287 4.245 3.960 -0.003 0.000 0.243 650 G C 0.125 174.969 174.900 -0.094 0.000 1.281 650 G CA -0.484 44.580 45.100 -0.060 0.000 0.854 650 G HN 0.115 nan 8.290 nan 0.000 0.560 651 D N 0.335 120.661 120.400 -0.123 0.000 2.348 651 D HA -0.114 4.524 4.640 -0.003 0.000 0.216 651 D C 2.138 178.272 176.300 -0.277 0.000 0.970 651 D CA 0.539 54.432 54.000 -0.178 0.000 0.889 651 D CB 0.189 40.897 40.800 -0.154 0.000 0.912 651 D HN 0.595 nan 8.370 nan 0.000 0.524 652 N N 0.301 118.861 118.700 -0.234 0.000 2.521 652 N HA -0.131 4.607 4.740 -0.003 0.000 0.188 652 N C 0.778 176.129 175.510 -0.264 0.000 1.146 652 N CA 0.389 53.274 53.050 -0.274 0.000 0.893 652 N CB -0.027 38.357 38.487 -0.171 0.000 0.975 652 N HN 0.261 nan 8.380 nan 0.000 0.451 653 Q N -0.392 119.283 119.800 -0.209 0.000 2.171 653 Q HA 0.251 4.589 4.340 -0.003 0.000 0.218 653 Q C -0.458 175.445 176.000 -0.161 0.000 0.822 653 Q CA -0.080 55.710 55.803 -0.021 0.000 0.987 653 Q CB 0.908 29.710 28.738 0.108 0.000 1.144 653 Q HN 0.270 nan 8.270 nan 0.000 0.494 654 K N 0.279 120.375 120.400 -0.507 0.000 2.164 654 K HA 0.476 4.795 4.320 -0.003 0.000 0.258 654 K C -1.317 174.841 176.600 -0.738 0.000 0.951 654 K CA -0.289 55.763 56.287 -0.391 0.000 0.844 654 K CB 1.331 33.707 32.500 -0.207 0.000 1.099 654 K HN -0.086 nan 8.250 nan 0.000 0.435 655 W N 0.021 121.298 121.300 -0.037 0.000 3.083 655 W HA 0.262 4.921 4.660 -0.003 0.000 0.333 655 W C -0.481 176.009 176.519 -0.049 0.000 1.217 655 W CA -0.721 56.592 57.345 -0.053 0.000 1.170 655 W CB 1.700 31.106 29.460 -0.090 0.000 1.437 655 W HN 0.478 nan 8.180 nan 0.000 0.557 656 T N -1.202 113.473 114.554 0.202 0.000 2.823 656 T HA 0.658 5.006 4.350 -0.003 0.000 0.279 656 T C -0.975 173.783 174.700 0.096 0.000 0.998 656 T CA -0.764 61.403 62.100 0.110 0.000 0.994 656 T CB 1.466 70.376 68.868 0.070 0.000 0.960 656 T HN 0.285 nan 8.240 nan 0.000 0.448 657 V N 2.746 122.682 119.914 0.037 0.000 2.562 657 V HA 0.382 4.501 4.120 -0.003 0.000 0.274 657 V C 0.507 176.606 176.094 0.008 0.000 1.075 657 V CA -0.549 61.749 62.300 -0.003 0.000 1.204 657 V CB -0.478 31.282 31.823 -0.106 0.000 1.478 657 V HN 1.239 nan 8.190 nan 0.000 0.622 658 T N 0.000 114.576 114.554 0.036 0.000 3.816 658 T HA 0.000 4.348 4.350 -0.003 0.000 0.228 658 T CA 0.000 62.124 62.100 0.041 0.000 1.349 658 T CB 0.000 68.890 68.868 0.037 0.000 0.612 658 T HN 0.000 nan 8.240 nan 0.000 0.658