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 2wpd_1_B DATA FIRST_RESID 25 DATA SEQUENCE ANLNETGRVL AVGDGIARVF GLNNIQAEEL VEFSSGVKGM ALNLEPGQVG DATA SEQUENCE IVLFGSDRLV KEGELVKRTG NIVDVPVGPG LLGRVVDALG NPIDGKGPID DATA SEQUENCE AAGRSRAQVK APGILPRRSV HEPVQTGLKA VDALVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTAVALDT ILNQKRWNNG SDESKKLYCV YVAVGQKRST VAQLVQTLEQ DATA SEQUENCE HDAMKYSIIV AATASEAAPL QYLAPFTAAS IGEWFRDNGK HALIVYDDLS DATA SEQUENCE KQAVAYRQLS LLLRRPPGRE AYPGDVFYLH SRLLERAAKL SEKEGSGSLT DATA SEQUENCE ALPVIETQGG DVSAYIPTNV ISITDGQIFL EAELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQVKA LKQVAGSLKL FLAQYREVAA FAQFGSDLDA STKQTLVRGE DATA SEQUENCE RLTQLLKQNQ YSPLATEEQV PLIYAGVNGH LDGIELSRIG EFESSFLSYL DATA SEQUENCE KSNHNELLTE IREKGELSKE LLASLKSATE SFVAT 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.604 177.584 0.034 0.000 1.274 25 A CA 0.000 52.053 52.037 0.027 0.000 0.836 25 A CB 0.000 19.012 19.000 0.019 0.000 0.831 26 N N 1.188 119.909 118.700 0.034 0.000 2.482 26 N HA 0.392 5.130 4.740 -0.002 0.000 0.242 26 N C 0.257 175.795 175.510 0.047 0.000 1.100 26 N CA -0.312 52.758 53.050 0.034 0.000 0.946 26 N CB 0.056 38.557 38.487 0.024 0.000 1.227 26 N HN 0.480 nan 8.380 nan 0.000 0.508 27 L N 2.763 124.023 121.223 0.061 0.000 2.912 27 L HA 0.152 4.491 4.340 -0.002 0.000 0.246 27 L C 0.537 177.437 176.870 0.050 0.000 1.371 27 L CA 0.003 54.892 54.840 0.082 0.000 1.196 27 L CB -0.595 41.538 42.059 0.124 0.000 1.596 27 L HN 0.596 nan 8.230 nan 0.000 0.429 28 N N -0.652 118.068 118.700 0.034 0.000 2.104 28 N HA 0.056 4.795 4.740 -0.002 0.000 0.227 28 N C 0.784 176.300 175.510 0.011 0.000 1.321 28 N CA 0.203 53.264 53.050 0.018 0.000 0.877 28 N CB 0.968 39.464 38.487 0.015 0.000 1.117 28 N HN 0.381 nan 8.380 nan 0.000 0.486 29 E N -0.430 119.779 120.200 0.015 0.000 2.679 29 E HA 0.123 4.471 4.350 -0.002 0.000 0.221 29 E C -0.403 176.203 176.600 0.010 0.000 0.928 29 E CA 0.143 56.547 56.400 0.006 0.000 1.296 29 E CB 1.809 31.510 29.700 0.001 0.000 1.235 29 E HN -0.055 nan 8.360 nan 0.000 0.622 30 T N -0.362 114.209 114.554 0.028 0.000 2.923 30 T HA 0.673 5.022 4.350 -0.002 0.000 0.311 30 T C -0.895 173.848 174.700 0.072 0.000 1.183 30 T CA -0.313 61.812 62.100 0.041 0.000 1.020 30 T CB 1.854 70.744 68.868 0.037 0.000 1.165 30 T HN 0.158 nan 8.240 nan 0.000 0.482 31 G N 2.353 111.210 108.800 0.096 0.000 2.788 31 G HA2 0.714 4.673 3.960 -0.002 0.000 0.293 31 G HA3 0.714 4.673 3.960 -0.002 0.000 0.293 31 G C -1.616 173.370 174.900 0.144 0.000 1.392 31 G CA -0.823 44.362 45.100 0.141 0.000 0.810 31 G HN 0.697 nan 8.290 nan 0.000 0.508 32 R N -0.426 120.171 120.500 0.162 0.000 2.664 32 R HA 0.527 4.866 4.340 -0.002 0.000 0.286 32 R C -0.545 175.836 176.300 0.136 0.000 0.967 32 R CA -0.776 55.395 56.100 0.119 0.000 0.933 32 R CB 1.915 32.249 30.300 0.057 0.000 1.146 32 R HN 0.297 nan 8.270 nan 0.000 0.468 33 V N 4.879 124.851 119.914 0.097 0.000 2.479 33 V HA 0.037 4.155 4.120 -0.002 0.000 0.281 33 V C 1.801 177.925 176.094 0.051 0.000 1.031 33 V CA 0.194 62.535 62.300 0.069 0.000 1.038 33 V CB 0.456 32.276 31.823 -0.006 0.000 0.981 33 V HN 0.632 nan 8.190 nan 0.000 0.478 34 L N 4.017 125.285 121.223 0.074 0.000 2.168 34 L HA 0.406 4.744 4.340 -0.002 0.000 0.203 34 L C 0.975 177.862 176.870 0.029 0.000 1.078 34 L CA 1.178 56.054 54.840 0.061 0.000 0.780 34 L CB -0.059 42.066 42.059 0.109 0.000 0.939 34 L HN 0.776 nan 8.230 nan 0.000 0.451 35 A N -0.961 121.871 122.820 0.021 0.000 2.612 35 A HA 0.661 4.979 4.320 -0.002 0.000 0.293 35 A C -1.718 175.856 177.584 -0.017 0.000 1.075 35 A CA -0.375 51.663 52.037 0.001 0.000 0.680 35 A CB 2.017 21.022 19.000 0.008 0.000 1.279 35 A HN -0.204 nan 8.150 nan 0.000 0.411 36 V N -0.087 119.809 119.914 -0.030 0.000 2.932 36 V HA 0.937 5.056 4.120 -0.002 0.000 0.307 36 V C -0.165 175.908 176.094 -0.035 0.000 1.147 36 V CA 0.868 63.141 62.300 -0.046 0.000 0.951 36 V CB 1.995 33.767 31.823 -0.086 0.000 1.031 36 V HN 2.619 nan 8.190 nan 0.000 0.426 37 G N 3.109 111.890 108.800 -0.031 0.000 2.358 37 G HA2 0.451 4.409 3.960 -0.002 0.000 0.301 37 G HA3 0.451 4.409 3.960 -0.002 0.000 0.301 37 G C -0.634 174.252 174.900 -0.023 0.000 1.539 37 G CA 0.173 45.258 45.100 -0.026 0.000 0.893 37 G HN 0.996 nan 8.290 nan 0.000 0.636 38 D N -1.066 119.320 120.400 -0.024 0.000 3.039 38 D HA -0.200 4.439 4.640 -0.002 0.000 0.222 38 D C 1.689 177.971 176.300 -0.029 0.000 1.179 38 D CA 3.205 57.188 54.000 -0.027 0.000 0.880 38 D CB -1.156 39.626 40.800 -0.030 0.000 1.115 38 D HN 2.369 nan 8.370 nan 0.000 0.416 39 G N -0.011 108.774 108.800 -0.023 0.000 2.159 39 G HA2 -0.316 3.642 3.960 -0.002 0.000 0.256 39 G HA3 -0.316 3.642 3.960 -0.002 0.000 0.256 39 G C 0.274 175.167 174.900 -0.011 0.000 0.977 39 G CA 0.397 45.485 45.100 -0.020 0.000 0.652 39 G HN 0.598 nan 8.290 nan 0.000 0.531 40 I N 0.246 120.811 120.570 -0.009 0.000 2.693 40 I HA 0.780 4.948 4.170 -0.002 0.000 0.303 40 I C -0.283 175.842 176.117 0.013 0.000 1.025 40 I CA -0.803 60.503 61.300 0.009 0.000 1.086 40 I CB 1.990 39.990 38.000 -0.000 0.000 1.268 40 I HN 0.470 nan 8.210 nan 0.000 0.440 41 A N 6.684 129.531 122.820 0.045 0.000 2.398 41 A HA 0.642 4.961 4.320 -0.002 0.000 0.301 41 A C -1.020 176.607 177.584 0.072 0.000 1.041 41 A CA -0.704 51.356 52.037 0.038 0.000 0.711 41 A CB 1.184 20.192 19.000 0.013 0.000 1.240 41 A HN 0.756 nan 8.150 nan 0.000 0.420 42 R N 2.077 122.611 120.500 0.056 0.000 2.280 42 R HA 0.458 4.796 4.340 -0.002 0.000 0.326 42 R C -0.852 175.509 176.300 0.101 0.000 1.080 42 R CA -0.325 55.818 56.100 0.071 0.000 1.002 42 R CB 1.178 31.511 30.300 0.056 0.000 1.136 42 R HN 0.482 nan 8.270 nan 0.000 0.509 43 V N 3.526 123.516 119.914 0.125 0.000 2.644 43 V HA 0.275 4.393 4.120 -0.002 0.000 0.295 43 V C -0.259 175.932 176.094 0.162 0.000 1.053 43 V CA -0.568 61.829 62.300 0.162 0.000 0.987 43 V CB 1.186 33.125 31.823 0.193 0.000 1.006 43 V HN 0.458 nan 8.190 nan 0.000 0.472 44 F N 3.204 123.184 119.950 0.050 0.000 2.388 44 F HA 0.775 5.300 4.527 -0.002 0.000 0.358 44 F C 0.540 176.362 175.800 0.036 0.000 1.122 44 F CA 0.770 58.792 58.000 0.036 0.000 1.056 44 F CB 0.734 39.751 39.000 0.028 0.000 1.155 44 F HN 0.810 nan 8.300 nan 0.000 0.461 45 G N 4.046 112.824 108.800 -0.037 0.000 2.225 45 G HA2 0.009 3.968 3.960 -0.002 0.000 0.203 45 G HA3 0.009 3.968 3.960 -0.002 0.000 0.203 45 G C -0.410 174.479 174.900 -0.018 0.000 1.335 45 G CA -0.521 44.608 45.100 0.049 0.000 1.183 45 G HN 0.971 nan 8.290 nan 0.000 0.488 46 L N 0.296 121.531 121.223 0.020 0.000 3.823 46 L HA -0.182 4.156 4.340 -0.002 0.000 0.525 46 L C 1.111 177.969 176.870 -0.020 0.000 1.247 46 L CA 0.374 55.214 54.840 0.002 0.000 0.776 46 L CB -1.166 40.895 42.059 0.004 0.000 1.443 46 L HN 0.611 nan 8.230 nan 0.000 0.831 47 N N 0.392 119.081 118.700 -0.018 0.000 2.446 47 N HA -0.004 4.735 4.740 -0.002 0.000 0.179 47 N C 0.932 176.432 175.510 -0.018 0.000 1.054 47 N CA 0.677 53.711 53.050 -0.027 0.000 0.905 47 N CB 0.116 38.591 38.487 -0.021 0.000 0.973 47 N HN 0.579 nan 8.380 nan 0.000 0.448 48 N N 0.693 119.386 118.700 -0.012 0.000 2.328 48 N HA 0.151 4.889 4.740 -0.002 0.000 0.247 48 N C -0.186 175.317 175.510 -0.012 0.000 1.165 48 N CA -0.085 52.959 53.050 -0.010 0.000 0.873 48 N CB 1.338 39.821 38.487 -0.007 0.000 1.125 48 N HN 0.275 nan 8.380 nan 0.000 0.513 49 I N 0.931 121.493 120.570 -0.014 0.000 2.499 49 I HA 0.100 4.268 4.170 -0.002 0.000 0.296 49 I C 0.002 176.112 176.117 -0.012 0.000 0.992 49 I CA -0.471 60.821 61.300 -0.014 0.000 1.297 49 I CB 1.104 39.096 38.000 -0.014 0.000 1.410 49 I HN -0.063 nan 8.210 nan 0.000 0.507 50 Q N 4.799 124.592 119.800 -0.011 0.000 2.260 50 Q HA 0.491 4.830 4.340 -0.002 0.000 0.238 50 Q C -0.176 175.823 176.000 -0.002 0.000 0.948 50 Q CA -0.861 54.937 55.803 -0.008 0.000 0.895 50 Q CB 1.389 30.120 28.738 -0.011 0.000 1.218 50 Q HN 0.778 nan 8.270 nan 0.000 0.470 51 A N 1.769 124.590 122.820 0.002 0.000 2.511 51 A HA 0.021 4.339 4.320 -0.002 0.000 0.242 51 A C -0.020 177.572 177.584 0.015 0.000 1.069 51 A CA 0.144 52.187 52.037 0.011 0.000 0.763 51 A CB -0.197 18.810 19.000 0.012 0.000 1.001 51 A HN 0.915 nan 8.150 nan 0.000 0.498 52 E N -0.268 119.950 120.200 0.030 0.000 2.320 52 E HA -0.207 4.142 4.350 -0.002 0.000 0.234 52 E C -0.052 176.563 176.600 0.024 0.000 1.183 52 E CA 1.171 57.596 56.400 0.041 0.000 0.713 52 E CB -1.153 28.567 29.700 0.033 0.000 1.226 52 E HN 0.833 nan 8.360 nan 0.000 0.382 53 E N 1.065 121.273 120.200 0.013 0.000 2.175 53 E HA 0.326 4.675 4.350 -0.002 0.000 0.278 53 E C -0.211 176.374 176.600 -0.026 0.000 0.969 53 E CA -0.880 55.513 56.400 -0.012 0.000 0.796 53 E CB 0.907 30.595 29.700 -0.020 0.000 1.104 53 E HN 0.150 nan 8.360 nan 0.000 0.395 54 L N 5.297 126.486 121.223 -0.058 0.000 2.506 54 L HA 0.128 4.466 4.340 -0.002 0.000 0.281 54 L C -0.652 176.141 176.870 -0.129 0.000 1.228 54 L CA 0.481 55.254 54.840 -0.112 0.000 0.850 54 L CB 0.934 42.907 42.059 -0.145 0.000 1.110 54 L HN 0.429 nan 8.230 nan 0.000 0.496 55 V N 1.346 121.149 119.914 -0.186 0.000 3.181 55 V HA 0.754 4.873 4.120 -0.002 0.000 0.308 55 V C -0.981 174.896 176.094 -0.362 0.000 1.214 55 V CA -0.853 61.296 62.300 -0.252 0.000 1.053 55 V CB 1.795 33.449 31.823 -0.281 0.000 1.069 55 V HN 0.924 nan 8.190 nan 0.000 0.441 56 E N 0.218 120.173 120.200 -0.408 0.000 2.314 56 E HA 0.646 4.995 4.350 -0.002 0.000 0.272 56 E C -1.974 174.371 176.600 -0.425 0.000 0.884 56 E CA -0.638 55.536 56.400 -0.378 0.000 0.753 56 E CB 2.344 31.943 29.700 -0.169 0.000 1.213 56 E HN 0.600 nan 8.360 nan 0.000 0.432 57 F N 0.864 120.825 119.950 0.019 0.000 2.461 57 F HA 0.273 4.799 4.527 -0.002 0.000 0.332 57 F C 1.824 177.635 175.800 0.018 0.000 1.073 57 F CA -0.532 57.482 58.000 0.024 0.000 1.017 57 F CB 1.146 40.166 39.000 0.033 0.000 1.301 57 F HN 0.490 nan 8.300 nan 0.000 0.492 58 S N -0.182 115.665 115.700 0.245 0.000 2.402 58 S HA -0.218 4.250 4.470 -0.002 0.000 0.233 58 S C 2.242 176.907 174.600 0.109 0.000 1.030 58 S CA 1.981 60.258 58.200 0.130 0.000 1.003 58 S CB -0.427 62.832 63.200 0.098 0.000 0.813 58 S HN 0.631 nan 8.310 nan 0.000 0.477 59 S N -0.733 115.049 115.700 0.137 0.000 2.453 59 S HA 0.202 4.671 4.470 -0.002 0.000 0.231 59 S C 1.324 175.984 174.600 0.099 0.000 1.005 59 S CA 1.406 59.666 58.200 0.100 0.000 0.949 59 S CB -0.426 62.827 63.200 0.088 0.000 0.774 59 S HN 1.157 nan 8.310 nan 0.000 0.510 60 G N -0.164 108.710 108.800 0.124 0.000 2.163 60 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.213 60 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.213 60 G C -0.005 174.949 174.900 0.090 0.000 0.991 60 G CA 0.008 45.155 45.100 0.079 0.000 0.653 60 G HN 0.509 nan 8.290 nan 0.000 0.518 61 V N 1.455 121.479 119.914 0.184 0.000 2.614 61 V HA 0.361 4.479 4.120 -0.002 0.000 0.291 61 V C 0.808 176.991 176.094 0.149 0.000 1.049 61 V CA -0.046 62.386 62.300 0.220 0.000 1.038 61 V CB 1.348 33.373 31.823 0.337 0.000 0.980 61 V HN 0.323 nan 8.190 nan 0.000 0.481 62 K N 3.260 123.688 120.400 0.047 0.000 2.205 62 K HA 0.619 4.938 4.320 -0.002 0.000 0.279 62 K C 0.419 177.014 176.600 -0.009 0.000 1.027 62 K CA -0.102 56.105 56.287 -0.133 0.000 0.932 62 K CB 1.535 33.860 32.500 -0.292 0.000 1.032 62 K HN 0.882 nan 8.250 nan 0.000 0.466 63 G N 1.550 110.302 108.800 -0.080 0.000 3.175 63 G HA2 0.736 4.695 3.960 -0.002 0.000 0.255 63 G HA3 0.736 4.695 3.960 -0.002 0.000 0.255 63 G C -1.427 173.592 174.900 0.199 0.000 1.352 63 G CA -0.698 44.549 45.100 0.244 0.000 1.037 63 G HN 0.536 nan 8.290 nan 0.000 0.556 64 M N 0.038 119.825 119.600 0.313 0.000 2.274 64 M HA 0.544 5.023 4.480 -0.002 0.000 0.272 64 M C -0.911 175.485 176.300 0.160 0.000 1.053 64 M CA -0.728 54.709 55.300 0.228 0.000 0.978 64 M CB 1.904 34.736 32.600 0.388 0.000 1.836 64 M HN 0.737 nan 8.290 nan 0.000 0.484 65 A N 4.835 127.710 122.820 0.090 0.000 2.899 65 A HA 0.330 4.648 4.320 -0.002 0.000 0.287 65 A C 0.754 178.381 177.584 0.071 0.000 1.715 65 A CA -0.326 51.753 52.037 0.070 0.000 1.393 65 A CB -0.913 18.109 19.000 0.037 0.000 1.070 65 A HN 0.951 nan 8.150 nan 0.000 0.587 66 L N 0.700 121.974 121.223 0.084 0.000 2.291 66 L HA 0.140 4.479 4.340 -0.002 0.000 0.214 66 L C 0.357 177.260 176.870 0.055 0.000 1.120 66 L CA 1.259 56.145 54.840 0.077 0.000 0.799 66 L CB -0.803 41.302 42.059 0.076 0.000 0.925 66 L HN 0.702 nan 8.230 nan 0.000 0.446 67 N N -1.341 117.385 118.700 0.044 0.000 2.396 67 N HA 0.607 5.345 4.740 -0.002 0.000 0.275 67 N C -1.605 173.916 175.510 0.018 0.000 1.218 67 N CA -0.731 52.337 53.050 0.029 0.000 0.812 67 N CB 1.232 39.734 38.487 0.025 0.000 1.592 67 N HN -0.026 nan 8.380 nan 0.000 0.480 68 L N 0.479 121.706 121.223 0.007 0.000 2.349 68 L HA 0.533 4.872 4.340 -0.002 0.000 0.278 68 L C -0.269 176.592 176.870 -0.015 0.000 0.996 68 L CA -0.294 54.542 54.840 -0.007 0.000 0.825 68 L CB 1.523 43.576 42.059 -0.009 0.000 1.243 68 L HN 0.671 nan 8.230 nan 0.000 0.412 69 E N 3.728 123.911 120.200 -0.028 0.000 2.320 69 E HA 0.538 4.887 4.350 -0.002 0.000 0.264 69 E C -2.489 174.076 176.600 -0.058 0.000 0.923 69 E CA -2.010 54.370 56.400 -0.033 0.000 0.796 69 E CB 1.562 31.247 29.700 -0.025 0.000 1.262 69 E HN 0.305 nan 8.360 nan 0.000 0.428 70 P HA 0.090 nan 4.420 nan 0.000 0.275 70 P C 0.371 177.610 177.300 -0.103 0.000 1.276 70 P CA 0.323 63.381 63.100 -0.071 0.000 0.782 70 P CB 0.547 32.222 31.700 -0.042 0.000 0.851 71 G N 2.773 111.456 108.800 -0.194 0.000 2.179 71 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.220 71 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.220 71 G C -0.172 174.476 174.900 -0.419 0.000 0.990 71 G CA 0.249 45.157 45.100 -0.319 0.000 0.646 71 G HN 0.800 nan 8.290 nan 0.000 0.517 72 Q N -2.022 117.626 119.800 -0.252 0.000 2.756 72 Q HA 0.735 5.073 4.340 -0.002 0.000 0.295 72 Q C -1.851 174.100 176.000 -0.082 0.000 0.903 72 Q CA -0.792 54.917 55.803 -0.156 0.000 0.768 72 Q CB 2.162 30.875 28.738 -0.041 0.000 1.472 72 Q HN 1.190 nan 8.270 nan 0.000 0.416 73 V N -0.046 119.852 119.914 -0.026 0.000 2.888 73 V HA 0.842 4.961 4.120 -0.002 0.000 0.309 73 V C -0.736 175.382 176.094 0.039 0.000 1.114 73 V CA 0.080 62.381 62.300 0.002 0.000 0.940 73 V CB 2.113 33.938 31.823 0.003 0.000 1.021 73 V HN 0.964 nan 8.190 nan 0.000 0.426 74 G N 6.235 115.059 108.800 0.040 0.000 2.325 74 G HA2 0.639 4.597 3.960 -0.002 0.000 0.298 74 G HA3 0.639 4.597 3.960 -0.002 0.000 0.298 74 G C -0.800 174.149 174.900 0.082 0.000 1.134 74 G CA -0.407 44.726 45.100 0.055 0.000 0.876 74 G HN 0.741 nan 8.290 nan 0.000 0.452 75 I N 2.384 123.024 120.570 0.117 0.000 2.498 75 I HA 0.255 4.424 4.170 -0.002 0.000 0.290 75 I C -0.039 176.179 176.117 0.169 0.000 1.032 75 I CA -1.115 60.287 61.300 0.170 0.000 1.073 75 I CB 2.145 40.303 38.000 0.263 0.000 1.251 75 I HN 0.267 nan 8.210 nan 0.000 0.426 76 V N 7.474 127.485 119.914 0.161 0.000 2.732 76 V HA 0.402 4.520 4.120 -0.002 0.000 0.297 76 V C -0.196 176.008 176.094 0.182 0.000 1.060 76 V CA -0.259 62.095 62.300 0.090 0.000 1.038 76 V CB 1.486 33.290 31.823 -0.031 0.000 1.003 76 V HN 0.505 nan 8.190 nan 0.000 0.481 77 L N 6.536 127.822 121.223 0.104 0.000 2.282 77 L HA 0.411 4.749 4.340 -0.002 0.000 0.288 77 L C -0.092 176.849 176.870 0.118 0.000 1.033 77 L CA -0.255 54.710 54.840 0.208 0.000 0.807 77 L CB 1.219 43.356 42.059 0.130 0.000 1.209 77 L HN 0.657 nan 8.230 nan 0.000 0.423 78 F N 1.147 121.176 119.950 0.131 0.000 2.797 78 F HA 0.239 4.765 4.527 -0.002 0.000 0.302 78 F C 1.391 177.245 175.800 0.091 0.000 1.130 78 F CA -0.181 57.883 58.000 0.107 0.000 1.387 78 F CB 0.349 39.407 39.000 0.097 0.000 1.107 78 F HN 0.491 nan 8.300 nan 0.000 0.577 79 G N -0.896 108.049 108.800 0.242 0.000 3.015 79 G HA2 0.431 4.390 3.960 -0.002 0.000 0.281 79 G HA3 0.431 4.390 3.960 -0.002 0.000 0.281 79 G C -0.849 174.110 174.900 0.099 0.000 1.386 79 G CA -0.691 44.502 45.100 0.156 0.000 0.959 79 G HN 0.021 nan 8.290 nan 0.000 0.522 80 S N -0.113 115.629 115.700 0.070 0.000 2.549 80 S HA 0.131 4.600 4.470 -0.002 0.000 0.283 80 S C 0.959 175.573 174.600 0.025 0.000 1.320 80 S CA 0.408 58.632 58.200 0.040 0.000 1.058 80 S CB 1.352 64.571 63.200 0.031 0.000 0.882 80 S HN 0.690 nan 8.310 nan 0.000 0.498 81 D N 2.462 122.865 120.400 0.005 0.000 2.350 81 D HA -0.207 4.432 4.640 -0.002 0.000 0.216 81 D C 1.603 177.885 176.300 -0.030 0.000 0.968 81 D CA 0.471 54.457 54.000 -0.023 0.000 0.894 81 D CB -0.291 40.492 40.800 -0.027 0.000 0.909 81 D HN 0.733 nan 8.370 nan 0.000 0.520 82 R N 0.162 120.655 120.500 -0.012 0.000 2.091 82 R HA -0.136 4.203 4.340 -0.002 0.000 0.238 82 R C 1.841 178.132 176.300 -0.016 0.000 1.136 82 R CA 0.953 57.046 56.100 -0.012 0.000 0.959 82 R CB -0.197 30.103 30.300 0.000 0.000 0.856 82 R HN 0.114 nan 8.270 nan 0.000 0.437 83 L N 0.409 121.627 121.223 -0.008 0.000 2.376 83 L HA 0.015 4.354 4.340 -0.002 0.000 0.219 83 L C 0.206 177.051 176.870 -0.041 0.000 1.133 83 L CA 0.773 55.611 54.840 -0.004 0.000 0.816 83 L CB 0.155 42.231 42.059 0.028 0.000 0.933 83 L HN -0.074 nan 8.230 nan 0.000 0.449 84 V N 0.682 120.541 119.914 -0.092 0.000 2.368 84 V HA 0.203 4.322 4.120 -0.002 0.000 0.266 84 V C 0.387 176.397 176.094 -0.140 0.000 1.045 84 V CA -0.701 61.480 62.300 -0.198 0.000 0.899 84 V CB 0.924 32.550 31.823 -0.330 0.000 1.006 84 V HN 0.127 nan 8.190 nan 0.000 0.470 85 K N 3.576 123.906 120.400 -0.117 0.000 2.156 85 K HA 0.373 4.691 4.320 -0.002 0.000 0.250 85 K C -0.163 176.390 176.600 -0.077 0.000 0.955 85 K CA -0.716 55.527 56.287 -0.074 0.000 0.855 85 K CB 1.559 34.034 32.500 -0.042 0.000 1.101 85 K HN 0.650 nan 8.250 nan 0.000 0.434 86 E N 1.492 121.660 120.200 -0.053 0.000 2.257 86 E HA 0.141 4.490 4.350 -0.002 0.000 0.278 86 E C 0.025 176.611 176.600 -0.023 0.000 1.049 86 E CA 0.701 57.078 56.400 -0.039 0.000 0.876 86 E CB 0.527 30.210 29.700 -0.029 0.000 1.035 86 E HN 0.887 nan 8.360 nan 0.000 0.419 87 G N 4.274 113.066 108.800 -0.014 0.000 2.148 87 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.203 87 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.203 87 G C 0.231 175.136 174.900 0.009 0.000 0.993 87 G CA 0.140 45.239 45.100 -0.003 0.000 0.661 87 G HN 0.544 nan 8.290 nan 0.000 0.518 88 E N -0.881 119.326 120.200 0.012 0.000 2.869 88 E HA 0.640 4.989 4.350 -0.002 0.000 0.258 88 E C 0.238 176.881 176.600 0.071 0.000 1.354 88 E CA -0.690 55.730 56.400 0.034 0.000 1.065 88 E CB 1.071 30.785 29.700 0.024 0.000 1.215 88 E HN 0.238 nan 8.360 nan 0.000 0.659 89 L N 0.946 122.225 121.223 0.093 0.000 2.325 89 L HA 0.375 4.713 4.340 -0.002 0.000 0.279 89 L C -1.360 175.614 176.870 0.174 0.000 1.054 89 L CA -0.685 54.219 54.840 0.107 0.000 0.804 89 L CB 1.204 43.308 42.059 0.074 0.000 1.200 89 L HN 0.181 nan 8.230 nan 0.000 0.436 90 V N 4.729 124.738 119.914 0.159 0.000 2.419 90 V HA 0.376 4.495 4.120 -0.002 0.000 0.287 90 V C -0.423 175.694 176.094 0.038 0.000 1.017 90 V CA -0.818 61.575 62.300 0.156 0.000 0.844 90 V CB 1.418 33.383 31.823 0.237 0.000 1.011 90 V HN 0.713 nan 8.190 nan 0.000 0.429 91 K N 3.994 124.381 120.400 -0.022 0.000 2.098 91 K HA 0.704 5.023 4.320 -0.002 0.000 0.258 91 K C 0.003 176.549 176.600 -0.089 0.000 0.973 91 K CA -0.870 55.394 56.287 -0.039 0.000 0.898 91 K CB 2.014 34.496 32.500 -0.030 0.000 1.057 91 K HN 0.777 nan 8.250 nan 0.000 0.447 92 R N -0.046 120.415 120.500 -0.066 0.000 2.643 92 R HA 0.323 4.661 4.340 -0.002 0.000 0.272 92 R C 0.061 176.316 176.300 -0.074 0.000 0.995 92 R CA -0.668 55.384 56.100 -0.079 0.000 1.032 92 R CB 0.934 31.203 30.300 -0.052 0.000 1.126 92 R HN 0.390 nan 8.270 nan 0.000 0.505 93 T N 0.180 114.684 114.554 -0.084 0.000 2.976 93 T HA 0.134 4.483 4.350 -0.002 0.000 0.257 93 T C 1.308 175.975 174.700 -0.056 0.000 1.051 93 T CA 1.017 63.072 62.100 -0.075 0.000 1.141 93 T CB -0.197 68.617 68.868 -0.091 0.000 0.881 93 T HN 0.955 nan 8.240 nan 0.000 0.461 94 G N 1.676 110.446 108.800 -0.050 0.000 2.176 94 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.253 94 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.253 94 G C -0.039 174.839 174.900 -0.037 0.000 0.979 94 G CA -0.207 44.870 45.100 -0.038 0.000 0.641 94 G HN 0.489 nan 8.290 nan 0.000 0.530 95 N N -0.120 118.553 118.700 -0.045 0.000 2.225 95 N HA 0.534 5.272 4.740 -0.002 0.000 0.298 95 N C 0.306 175.787 175.510 -0.049 0.000 1.076 95 N CA -0.629 52.395 53.050 -0.043 0.000 0.792 95 N CB 1.708 40.169 38.487 -0.045 0.000 1.498 95 N HN 0.214 nan 8.380 nan 0.000 0.474 96 I N 0.796 121.342 120.570 -0.041 0.000 2.948 96 I HA -0.068 4.101 4.170 -0.002 0.000 0.290 96 I C 0.680 176.766 176.117 -0.053 0.000 1.226 96 I CA -0.341 60.935 61.300 -0.040 0.000 1.413 96 I CB 0.404 38.385 38.000 -0.033 0.000 1.352 96 I HN 0.104 nan 8.210 nan 0.000 0.597 97 V N 5.179 125.060 119.914 -0.055 0.000 2.539 97 V HA -0.050 4.068 4.120 -0.002 0.000 0.300 97 V C 0.127 176.187 176.094 -0.057 0.000 1.019 97 V CA 0.412 62.668 62.300 -0.074 0.000 1.160 97 V CB -0.573 31.213 31.823 -0.061 0.000 0.901 97 V HN 0.828 nan 8.190 nan 0.000 0.481 98 D N 4.145 124.506 120.400 -0.064 0.000 2.552 98 D HA 0.672 5.311 4.640 -0.002 0.000 0.239 98 D C -0.802 175.465 176.300 -0.055 0.000 1.139 98 D CA -0.587 53.382 54.000 -0.052 0.000 0.914 98 D CB 2.434 43.203 40.800 -0.052 0.000 1.461 98 D HN 0.460 nan 8.370 nan 0.000 0.462 99 V N -3.884 116.000 119.914 -0.050 0.000 2.789 99 V HA 0.598 4.716 4.120 -0.002 0.000 0.311 99 V C -3.002 173.045 176.094 -0.078 0.000 1.073 99 V CA -2.362 59.905 62.300 -0.054 0.000 0.921 99 V CB 1.641 33.443 31.823 -0.035 0.000 1.009 99 V HN 0.343 nan 8.190 nan 0.000 0.426 100 P HA 0.242 nan 4.420 nan 0.000 0.263 100 P C -0.399 176.795 177.300 -0.176 0.000 1.195 100 P CA 0.320 63.345 63.100 -0.124 0.000 0.762 100 P CB 0.654 32.291 31.700 -0.106 0.000 0.799 101 V N 1.507 121.261 119.914 -0.265 0.000 2.656 101 V HA 1.032 5.150 4.120 -0.002 0.000 0.307 101 V C 0.059 175.681 176.094 -0.786 0.000 1.051 101 V CA -0.348 61.695 62.300 -0.429 0.000 0.893 101 V CB 1.675 33.284 31.823 -0.357 0.000 0.999 101 V HN 0.812 nan 8.190 nan 0.000 0.426 102 G N 3.615 111.807 108.800 -1.012 0.000 2.315 102 G HA2 0.473 4.432 3.960 -0.002 0.000 0.294 102 G HA3 0.473 4.432 3.960 -0.002 0.000 0.294 102 G C -2.882 171.513 174.900 -0.842 0.000 1.300 102 G CA 0.147 44.401 45.100 -1.411 0.000 0.843 102 G HN 0.515 nan 8.290 nan 0.000 0.527 103 P HA 0.100 nan 4.420 nan 0.000 0.231 103 P C 1.595 178.931 177.300 0.061 0.000 1.168 103 P CA 1.289 64.423 63.100 0.056 0.000 0.779 103 P CB 0.230 32.066 31.700 0.226 0.000 0.844 104 G N 0.105 108.870 108.800 -0.059 0.000 2.679 104 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.212 104 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.212 104 G C 1.177 176.075 174.900 -0.003 0.000 1.137 104 G CA 0.130 45.218 45.100 -0.019 0.000 0.787 104 G HN 0.151 nan 8.290 nan 0.000 0.534 105 L N 0.325 121.545 121.223 -0.004 0.000 2.418 105 L HA 0.283 4.622 4.340 -0.002 0.000 0.218 105 L C 1.393 178.315 176.870 0.087 0.000 1.125 105 L CA 0.156 55.010 54.840 0.024 0.000 0.835 105 L CB -0.435 41.625 42.059 0.002 0.000 0.953 105 L HN 0.109 nan 8.230 nan 0.000 0.454 106 L N 0.504 121.812 121.223 0.142 0.000 2.578 106 L HA 0.132 4.471 4.340 -0.002 0.000 0.279 106 L C 1.515 178.438 176.870 0.089 0.000 1.227 106 L CA 0.732 55.669 54.840 0.163 0.000 0.900 106 L CB -0.468 41.724 42.059 0.220 0.000 1.144 106 L HN 0.493 nan 8.230 nan 0.000 0.496 107 G N 2.112 110.949 108.800 0.061 0.000 2.184 107 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.264 107 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.264 107 G C 0.223 175.136 174.900 0.023 0.000 0.975 107 G CA -0.243 44.870 45.100 0.020 0.000 0.642 107 G HN 0.493 nan 8.290 nan 0.000 0.536 108 R N -0.317 120.206 120.500 0.038 0.000 2.562 108 R HA 0.636 4.975 4.340 -0.002 0.000 0.298 108 R C -0.401 175.921 176.300 0.037 0.000 0.961 108 R CA -0.791 55.327 56.100 0.029 0.000 0.881 108 R CB 1.967 32.281 30.300 0.023 0.000 1.159 108 R HN 0.174 nan 8.270 nan 0.000 0.450 109 V N 3.805 123.738 119.914 0.031 0.000 2.350 109 V HA 0.362 4.481 4.120 -0.002 0.000 0.276 109 V C 0.510 176.622 176.094 0.030 0.000 1.028 109 V CA -0.654 61.669 62.300 0.039 0.000 0.860 109 V CB 1.262 33.109 31.823 0.040 0.000 0.990 109 V HN 0.594 nan 8.190 nan 0.000 0.453 110 V N 2.026 121.959 119.914 0.031 0.000 3.181 110 V HA 0.801 4.919 4.120 -0.002 0.000 0.314 110 V C -0.252 175.858 176.094 0.027 0.000 1.173 110 V CA -0.730 61.583 62.300 0.022 0.000 1.052 110 V CB 2.165 33.995 31.823 0.012 0.000 1.123 110 V HN 0.752 nan 8.190 nan 0.000 0.454 111 D N 0.588 121.003 120.400 0.026 0.000 2.541 111 D HA 0.476 5.115 4.640 -0.002 0.000 0.276 111 D C 1.128 177.450 176.300 0.036 0.000 1.190 111 D CA 0.091 54.112 54.000 0.035 0.000 1.095 111 D CB 1.425 42.250 40.800 0.043 0.000 1.173 111 D HN 0.803 nan 8.370 nan 0.000 0.604 112 A N -0.682 122.172 122.820 0.056 0.000 2.014 112 A HA 0.040 4.358 4.320 -0.002 0.000 0.218 112 A C 2.425 180.042 177.584 0.055 0.000 1.163 112 A CA 0.722 52.801 52.037 0.071 0.000 0.652 112 A CB -0.770 18.304 19.000 0.124 0.000 0.808 112 A HN 0.476 nan 8.150 nan 0.000 0.449 113 L N -1.941 119.303 121.223 0.035 0.000 2.375 113 L HA 0.202 4.540 4.340 -0.002 0.000 0.215 113 L C 1.789 178.647 176.870 -0.019 0.000 1.108 113 L CA 0.702 55.537 54.840 -0.008 0.000 0.830 113 L CB -0.104 41.939 42.059 -0.027 0.000 0.959 113 L HN 0.552 nan 8.230 nan 0.000 0.457 114 G N -0.422 108.374 108.800 -0.008 0.000 2.179 114 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.220 114 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.220 114 G C 0.025 174.914 174.900 -0.019 0.000 0.990 114 G CA -0.428 44.660 45.100 -0.019 0.000 0.646 114 G HN 0.298 nan 8.290 nan 0.000 0.517 115 N N 2.188 120.881 118.700 -0.011 0.000 2.525 115 N HA 0.404 5.142 4.740 -0.002 0.000 0.271 115 N C -2.422 173.088 175.510 -0.000 0.000 1.194 115 N CA -0.951 52.094 53.050 -0.009 0.000 0.964 115 N CB 1.251 39.734 38.487 -0.006 0.000 1.126 115 N HN 0.211 nan 8.380 nan 0.000 0.452 116 P HA 0.130 nan 4.420 nan 0.000 0.271 116 P C 0.411 177.718 177.300 0.010 0.000 1.216 116 P CA 0.011 63.113 63.100 0.004 0.000 0.776 116 P CB 0.689 32.389 31.700 0.001 0.000 0.881 117 I N -0.835 119.744 120.570 0.016 0.000 4.338 117 I HA 0.160 4.329 4.170 -0.002 0.000 0.329 117 I C 0.829 176.957 176.117 0.018 0.000 1.378 117 I CA -0.187 61.125 61.300 0.019 0.000 1.170 117 I CB 0.142 38.157 38.000 0.026 0.000 1.206 117 I HN 0.093 nan 8.210 nan 0.000 0.432 118 D N 1.915 122.324 120.400 0.016 0.000 2.301 118 D HA 0.059 4.698 4.640 -0.002 0.000 0.206 118 D C 1.536 177.842 176.300 0.009 0.000 0.979 118 D CA 0.992 55.000 54.000 0.014 0.000 0.874 118 D CB 0.177 40.985 40.800 0.014 0.000 0.968 118 D HN 0.437 nan 8.370 nan 0.000 0.510 119 G N 1.366 110.170 108.800 0.008 0.000 2.203 119 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.231 119 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.231 119 G C 0.332 175.234 174.900 0.003 0.000 1.058 119 G CA 0.127 45.231 45.100 0.005 0.000 0.781 119 G HN 0.394 nan 8.290 nan 0.000 0.496 120 K N 0.104 120.505 120.400 0.003 0.000 2.514 120 K HA 0.490 4.809 4.320 -0.002 0.000 0.207 120 K C 1.165 177.765 176.600 0.001 0.000 1.035 120 K CA 0.191 56.480 56.287 0.002 0.000 1.113 120 K CB 0.709 33.210 32.500 0.002 0.000 0.846 120 K HN 1.611 nan 8.250 nan 0.000 0.491 121 G N 2.441 111.241 108.800 -0.000 0.000 2.712 121 G HA2 -0.170 3.788 3.960 -0.002 0.000 0.686 121 G HA3 -0.170 3.788 3.960 -0.002 0.000 0.686 121 G C -2.788 172.108 174.900 -0.005 0.000 1.321 121 G CA -1.353 43.745 45.100 -0.003 0.000 0.813 121 G HN -0.042 nan 8.290 nan 0.000 0.599 122 P HA 0.264 nan 4.420 nan 0.000 0.267 122 P C 0.576 177.865 177.300 -0.018 0.000 1.201 122 P CA -0.347 62.745 63.100 -0.014 0.000 0.775 122 P CB 0.343 32.034 31.700 -0.016 0.000 0.854 123 I N 1.903 122.457 120.570 -0.026 0.000 2.441 123 I HA 0.039 4.207 4.170 -0.002 0.000 0.287 123 I C 0.716 176.804 176.117 -0.048 0.000 1.049 123 I CA -0.081 61.199 61.300 -0.035 0.000 1.381 123 I CB 0.126 38.100 38.000 -0.043 0.000 1.409 123 I HN 0.365 nan 8.210 nan 0.000 0.523 124 D N 5.862 126.232 120.400 -0.050 0.000 2.453 124 D HA 0.406 5.045 4.640 -0.002 0.000 0.223 124 D C -0.118 176.117 176.300 -0.108 0.000 1.183 124 D CA -0.153 53.810 54.000 -0.061 0.000 0.933 124 D CB 0.396 41.172 40.800 -0.040 0.000 1.038 124 D HN 0.621 nan 8.370 nan 0.000 0.513 125 A N 2.684 125.429 122.820 -0.125 0.000 2.306 125 A HA 0.632 4.951 4.320 -0.002 0.000 0.314 125 A C 1.056 178.526 177.584 -0.190 0.000 1.164 125 A CA -0.159 51.761 52.037 -0.195 0.000 0.822 125 A CB 1.376 20.272 19.000 -0.174 0.000 1.130 125 A HN 0.612 nan 8.150 nan 0.000 0.496 126 A N 1.808 124.456 122.820 -0.288 0.000 2.021 126 A HA 0.521 4.840 4.320 -0.002 0.000 0.216 126 A C 1.118 178.623 177.584 -0.132 0.000 1.163 126 A CA 1.407 53.328 52.037 -0.192 0.000 0.676 126 A CB -0.239 18.632 19.000 -0.216 0.000 0.818 126 A HN 1.921 nan 8.150 nan 0.000 0.453 127 G N -1.295 107.391 108.800 -0.189 0.000 2.606 127 G HA2 0.544 4.502 3.960 -0.002 0.000 0.300 127 G HA3 0.544 4.502 3.960 -0.002 0.000 0.300 127 G C -1.734 173.092 174.900 -0.124 0.000 1.360 127 G CA -0.845 44.190 45.100 -0.109 0.000 0.783 127 G HN 0.065 nan 8.290 nan 0.000 0.484 128 R N -0.021 120.433 120.500 -0.076 0.000 2.561 128 R HA 0.778 5.116 4.340 -0.002 0.000 0.297 128 R C -0.884 175.387 176.300 -0.047 0.000 0.969 128 R CA -0.738 55.319 56.100 -0.072 0.000 0.879 128 R CB 1.432 31.696 30.300 -0.060 0.000 1.178 128 R HN 0.519 nan 8.270 nan 0.000 0.445 129 S N 1.857 117.528 115.700 -0.047 0.000 2.536 129 S HA 0.495 4.963 4.470 -0.002 0.000 0.298 129 S C -0.292 174.291 174.600 -0.029 0.000 1.083 129 S CA -0.803 57.382 58.200 -0.026 0.000 0.995 129 S CB 0.932 64.124 63.200 -0.012 0.000 1.058 129 S HN 0.340 nan 8.310 nan 0.000 0.488 130 R N 1.706 122.191 120.500 -0.026 0.000 2.758 130 R HA 0.103 4.441 4.340 -0.002 0.000 0.263 130 R C 1.322 177.603 176.300 -0.032 0.000 1.010 130 R CA 0.540 56.621 56.100 -0.033 0.000 1.114 130 R CB -0.306 29.973 30.300 -0.035 0.000 0.985 130 R HN 0.779 nan 8.270 nan 0.000 0.439 131 A N 2.257 125.052 122.820 -0.041 0.000 2.067 131 A HA -0.066 4.253 4.320 -0.002 0.000 0.217 131 A C 0.367 177.901 177.584 -0.085 0.000 1.156 131 A CA 0.946 52.962 52.037 -0.035 0.000 0.683 131 A CB 0.226 19.210 19.000 -0.026 0.000 0.808 131 A HN 0.463 nan 8.150 nan 0.000 0.455 132 Q N 0.673 120.396 119.800 -0.128 0.000 2.508 132 Q HA 0.443 4.782 4.340 -0.002 0.000 0.247 132 Q C -1.165 174.766 176.000 -0.115 0.000 1.047 132 Q CA -0.085 55.595 55.803 -0.205 0.000 0.783 132 Q CB 1.212 29.795 28.738 -0.258 0.000 1.172 132 Q HN 0.174 nan 8.270 nan 0.000 0.515 133 V N 1.723 121.594 119.914 -0.073 0.000 2.612 133 V HA 0.389 4.508 4.120 -0.002 0.000 0.301 133 V C 0.426 176.495 176.094 -0.041 0.000 1.046 133 V CA -0.815 61.461 62.300 -0.039 0.000 0.946 133 V CB 1.803 33.620 31.823 -0.010 0.000 1.003 133 V HN 0.448 nan 8.190 nan 0.000 0.459 134 K N 2.287 122.672 120.400 -0.026 0.000 2.174 134 K HA 0.649 4.968 4.320 -0.002 0.000 0.275 134 K C 0.132 176.727 176.600 -0.008 0.000 1.015 134 K CA -0.279 55.997 56.287 -0.018 0.000 0.933 134 K CB 1.362 33.859 32.500 -0.004 0.000 1.025 134 K HN 0.853 nan 8.250 nan 0.000 0.463 135 A N 4.289 127.104 122.820 -0.008 0.000 2.483 135 A HA 0.167 4.486 4.320 -0.002 0.000 0.238 135 A C -1.846 175.740 177.584 0.004 0.000 1.070 135 A CA -0.989 51.048 52.037 -0.001 0.000 0.770 135 A CB -0.623 18.375 19.000 -0.003 0.000 1.008 135 A HN 0.527 nan 8.150 nan 0.000 0.497 136 P HA 0.137 nan 4.420 nan 0.000 0.266 136 P C 0.650 177.955 177.300 0.008 0.000 1.195 136 P CA 0.429 63.532 63.100 0.005 0.000 0.768 136 P CB 0.254 31.957 31.700 0.004 0.000 0.838 137 G N 1.616 110.421 108.800 0.008 0.000 2.661 137 G HA2 0.104 4.062 3.960 -0.002 0.000 0.272 137 G HA3 0.104 4.062 3.960 -0.002 0.000 0.272 137 G C 1.259 176.166 174.900 0.012 0.000 1.296 137 G CA -0.373 44.733 45.100 0.011 0.000 0.998 137 G HN 0.626 nan 8.290 nan 0.000 0.553 138 I N -2.166 118.412 120.570 0.013 0.000 2.500 138 I HA 0.081 4.250 4.170 -0.002 0.000 0.252 138 I C 2.215 178.339 176.117 0.012 0.000 1.142 138 I CA 0.635 61.944 61.300 0.014 0.000 1.451 138 I CB -0.279 37.731 38.000 0.016 0.000 1.093 138 I HN 0.339 nan 8.210 nan 0.000 0.430 139 L N 3.037 124.267 121.223 0.010 0.000 2.072 139 L HA 0.155 4.494 4.340 -0.002 0.000 0.205 139 L C -0.953 175.922 176.870 0.008 0.000 1.079 139 L CA 1.560 56.405 54.840 0.009 0.000 0.752 139 L CB -1.472 40.591 42.059 0.008 0.000 0.906 139 L HN 0.195 nan 8.230 nan 0.000 0.436 140 P HA 0.088 nan 4.420 nan 0.000 0.237 140 P C -0.651 176.652 177.300 0.006 0.000 1.723 140 P CA 0.316 63.419 63.100 0.004 0.000 0.882 140 P CB -0.166 31.535 31.700 0.001 0.000 1.810 141 R N 0.097 120.602 120.500 0.008 0.000 2.799 141 R HA 0.650 4.989 4.340 -0.002 0.000 0.270 141 R C -0.449 175.858 176.300 0.013 0.000 1.010 141 R CA -0.865 55.240 56.100 0.008 0.000 0.916 141 R CB 2.835 33.139 30.300 0.007 0.000 1.228 141 R HN 0.042 nan 8.270 nan 0.000 0.469 142 R N 0.094 120.599 120.500 0.009 0.000 2.668 142 R HA 0.258 4.596 4.340 -0.002 0.000 0.272 142 R C -1.044 175.259 176.300 0.005 0.000 1.019 142 R CA -0.396 55.717 56.100 0.022 0.000 0.894 142 R CB 2.358 32.685 30.300 0.046 0.000 1.228 142 R HN 0.620 nan 8.270 nan 0.000 0.460 143 S N 1.843 117.560 115.700 0.028 0.000 2.560 143 S HA 0.106 4.575 4.470 -0.002 0.000 0.284 143 S C 0.405 174.987 174.600 -0.030 0.000 1.327 143 S CA -0.463 57.747 58.200 0.016 0.000 1.055 143 S CB 0.370 63.596 63.200 0.044 0.000 0.868 143 S HN 0.422 nan 8.310 nan 0.000 0.506 144 V N 3.612 123.481 119.914 -0.076 0.000 2.843 144 V HA 0.415 4.534 4.120 -0.002 0.000 0.305 144 V C 0.373 176.402 176.094 -0.108 0.000 1.065 144 V CA 0.473 62.666 62.300 -0.178 0.000 1.116 144 V CB 0.491 32.242 31.823 -0.121 0.000 0.968 144 V HN 1.169 nan 8.190 nan 0.000 0.487 145 H N -0.216 118.823 119.070 -0.051 0.000 3.538 145 H HA 0.446 5.001 4.556 -0.002 0.000 0.264 145 H C -0.228 175.055 175.328 -0.075 0.000 1.146 145 H CA -0.214 55.804 56.048 -0.050 0.000 1.097 145 H CB -0.787 28.952 29.762 -0.038 0.000 2.087 145 H HN 0.673 nan 8.280 nan 0.000 0.797 146 E N 3.112 123.248 120.200 -0.107 0.000 2.073 146 E HA 0.300 4.648 4.350 -0.002 0.000 0.269 146 E C -2.735 173.783 176.600 -0.137 0.000 0.917 146 E CA -2.185 54.152 56.400 -0.105 0.000 0.757 146 E CB 1.809 31.361 29.700 -0.247 0.000 1.111 146 E HN 0.203 nan 8.360 nan 0.000 0.410 147 P HA -0.055 nan 4.420 nan 0.000 0.267 147 P C -0.628 176.588 177.300 -0.140 0.000 1.200 147 P CA -0.026 63.019 63.100 -0.092 0.000 0.772 147 P CB 0.617 32.277 31.700 -0.066 0.000 0.855 148 V N 3.801 123.664 119.914 -0.086 0.000 2.315 148 V HA 0.137 4.256 4.120 -0.002 0.000 0.265 148 V C 0.207 176.315 176.094 0.022 0.000 1.019 148 V CA -0.430 61.828 62.300 -0.070 0.000 0.824 148 V CB 0.318 32.106 31.823 -0.057 0.000 1.072 148 V HN 0.496 nan 8.190 nan 0.000 0.448 149 Q N 1.685 121.538 119.800 0.090 0.000 2.264 149 Q HA 0.018 4.357 4.340 -0.002 0.000 0.296 149 Q C 1.414 177.510 176.000 0.160 0.000 1.103 149 Q CA 0.736 56.647 55.803 0.181 0.000 0.967 149 Q CB 0.809 29.768 28.738 0.368 0.000 1.090 149 Q HN 0.896 nan 8.270 nan 0.000 0.379 150 T N -0.914 113.696 114.554 0.092 0.000 3.065 150 T HA 0.206 4.554 4.350 -0.002 0.000 0.252 150 T C 1.330 176.056 174.700 0.043 0.000 1.099 150 T CA 0.387 62.524 62.100 0.062 0.000 1.063 150 T CB 0.291 69.183 68.868 0.040 0.000 0.948 150 T HN 0.866 nan 8.240 nan 0.000 0.506 151 G N 1.350 110.180 108.800 0.049 0.000 2.268 151 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.240 151 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.240 151 G C -0.037 174.875 174.900 0.020 0.000 1.010 151 G CA 0.086 45.200 45.100 0.022 0.000 0.618 151 G HN 0.619 nan 8.290 nan 0.000 0.516 152 L N 0.901 122.138 121.223 0.023 0.000 2.305 152 L HA 0.406 4.745 4.340 -0.002 0.000 0.281 152 L C 1.680 178.571 176.870 0.034 0.000 1.085 152 L CA -0.658 54.195 54.840 0.022 0.000 0.813 152 L CB 1.240 43.308 42.059 0.015 0.000 1.157 152 L HN 0.094 nan 8.230 nan 0.000 0.436 153 K N 2.484 122.907 120.400 0.038 0.000 2.007 153 K HA -0.084 4.235 4.320 -0.002 0.000 0.206 153 K C 1.980 178.607 176.600 0.045 0.000 1.047 153 K CA 1.359 57.674 56.287 0.046 0.000 0.937 153 K CB -0.116 32.415 32.500 0.052 0.000 0.718 153 K HN 0.785 nan 8.250 nan 0.000 0.438 154 A N 1.242 124.087 122.820 0.041 0.000 2.076 154 A HA -0.124 4.195 4.320 -0.002 0.000 0.220 154 A C 2.296 179.905 177.584 0.042 0.000 1.160 154 A CA 1.417 53.479 52.037 0.042 0.000 0.653 154 A CB -0.567 18.457 19.000 0.041 0.000 0.801 154 A HN 0.080 nan 8.150 nan 0.000 0.455 155 V N 0.153 120.090 119.914 0.039 0.000 2.283 155 V HA -0.109 4.009 4.120 -0.002 0.000 0.239 155 V C 1.409 177.526 176.094 0.039 0.000 1.035 155 V CA 1.692 64.015 62.300 0.037 0.000 1.018 155 V CB -0.637 31.205 31.823 0.032 0.000 0.658 155 V HN 0.462 nan 8.190 nan 0.000 0.459 156 D N 0.167 120.592 120.400 0.041 0.000 2.348 156 D HA 0.172 4.811 4.640 -0.002 0.000 0.248 156 D C 1.218 177.544 176.300 0.043 0.000 1.142 156 D CA 0.992 55.018 54.000 0.042 0.000 0.904 156 D CB 0.605 41.434 40.800 0.050 0.000 0.901 156 D HN 0.469 nan 8.370 nan 0.000 0.523 157 A N -0.667 122.179 122.820 0.044 0.000 1.964 157 A HA 0.185 4.504 4.320 -0.002 0.000 0.198 157 A C 1.926 179.536 177.584 0.044 0.000 1.599 157 A CA -0.121 51.944 52.037 0.045 0.000 0.968 157 A CB 0.134 19.163 19.000 0.049 0.000 1.029 157 A HN 0.119 nan 8.150 nan 0.000 0.508 158 L N -0.060 121.190 121.223 0.045 0.000 2.200 158 L HA 0.134 4.473 4.340 -0.002 0.000 0.200 158 L C 0.476 177.372 176.870 0.043 0.000 1.072 158 L CA 1.053 55.921 54.840 0.047 0.000 0.787 158 L CB 0.303 42.393 42.059 0.052 0.000 0.957 158 L HN 0.290 nan 8.230 nan 0.000 0.459 159 V N -2.481 117.458 119.914 0.041 0.000 2.462 159 V HA 0.434 4.552 4.120 -0.002 0.000 0.257 159 V C -2.703 173.410 176.094 0.032 0.000 0.944 159 V CA -1.734 60.588 62.300 0.037 0.000 0.903 159 V CB 0.132 31.980 31.823 0.042 0.000 1.128 159 V HN -0.071 nan 8.190 nan 0.000 0.486 160 P HA 0.451 nan 4.420 nan 0.000 0.272 160 P C -0.352 176.957 177.300 0.014 0.000 1.230 160 P CA -0.006 63.108 63.100 0.023 0.000 0.788 160 P CB 1.821 33.534 31.700 0.021 0.000 0.949 161 I N 0.512 121.087 120.570 0.008 0.000 2.441 161 I HA 0.544 4.713 4.170 -0.002 0.000 0.295 161 I C 0.883 176.985 176.117 -0.026 0.000 0.994 161 I CA -0.533 60.765 61.300 -0.003 0.000 1.144 161 I CB 2.080 40.083 38.000 0.004 0.000 1.314 161 I HN 0.356 nan 8.210 nan 0.000 0.445 162 G N 3.829 112.604 108.800 -0.042 0.000 2.511 162 G HA2 0.525 4.483 3.960 -0.002 0.000 0.318 162 G HA3 0.525 4.483 3.960 -0.002 0.000 0.318 162 G C -0.695 174.139 174.900 -0.109 0.000 1.210 162 G CA -0.913 44.139 45.100 -0.081 0.000 0.969 162 G HN 0.522 nan 8.290 nan 0.000 0.484 163 R N 0.134 120.527 120.500 -0.178 0.000 2.457 163 R HA 0.358 4.697 4.340 -0.002 0.000 0.335 163 R C 1.176 177.378 176.300 -0.164 0.000 1.003 163 R CA 1.393 57.365 56.100 -0.213 0.000 1.003 163 R CB 0.136 30.189 30.300 -0.411 0.000 0.950 163 R HN 1.124 nan 8.270 nan 0.000 0.428 164 G N 1.831 110.578 108.800 -0.089 0.000 2.192 164 G HA2 -0.248 3.710 3.960 -0.002 0.000 0.193 164 G HA3 -0.248 3.710 3.960 -0.002 0.000 0.193 164 G C 0.033 174.912 174.900 -0.036 0.000 0.999 164 G CA -0.373 44.693 45.100 -0.056 0.000 0.659 164 G HN 0.559 nan 8.290 nan 0.000 0.503 165 Q N -0.001 119.778 119.800 -0.035 0.000 2.212 165 Q HA 0.699 5.038 4.340 -0.002 0.000 0.238 165 Q C 0.011 176.014 176.000 0.004 0.000 0.955 165 Q CA -0.808 54.986 55.803 -0.015 0.000 0.906 165 Q CB 0.596 29.323 28.738 -0.017 0.000 1.215 165 Q HN 0.336 nan 8.270 nan 0.000 0.478 166 R N 2.422 122.931 120.500 0.016 0.000 2.402 166 R HA 0.187 4.525 4.340 -0.002 0.000 0.290 166 R C -1.292 175.029 176.300 0.035 0.000 1.321 166 R CA -0.458 55.661 56.100 0.032 0.000 1.283 166 R CB 0.989 31.311 30.300 0.037 0.000 1.111 166 R HN 0.455 nan 8.270 nan 0.000 0.578 167 E N 2.473 122.694 120.200 0.035 0.000 2.167 167 E HA 0.126 4.474 4.350 -0.002 0.000 0.284 167 E C -0.963 175.666 176.600 0.048 0.000 1.016 167 E CA -0.694 55.728 56.400 0.037 0.000 0.817 167 E CB 0.742 30.461 29.700 0.031 0.000 1.080 167 E HN 0.249 nan 8.360 nan 0.000 0.397 168 L N 5.290 126.543 121.223 0.051 0.000 2.395 168 L HA 0.413 4.752 4.340 -0.002 0.000 0.269 168 L C -0.545 176.359 176.870 0.056 0.000 1.133 168 L CA 0.132 55.006 54.840 0.057 0.000 0.812 168 L CB 0.738 42.829 42.059 0.052 0.000 1.125 168 L HN 0.680 nan 8.230 nan 0.000 0.452 169 I N 6.757 127.360 120.570 0.055 0.000 2.621 169 I HA 0.303 4.472 4.170 -0.002 0.000 0.276 169 I C -0.238 175.899 176.117 0.032 0.000 1.118 169 I CA -0.178 61.145 61.300 0.039 0.000 1.159 169 I CB 0.620 38.639 38.000 0.031 0.000 1.357 169 I HN 0.524 nan 8.210 nan 0.000 0.513 170 I N 3.841 124.443 120.570 0.054 0.000 2.440 170 I HA 0.793 4.962 4.170 -0.002 0.000 0.294 170 I C 0.311 176.418 176.117 -0.016 0.000 0.995 170 I CA 0.307 61.650 61.300 0.072 0.000 1.306 170 I CB 1.393 39.492 38.000 0.166 0.000 1.407 170 I HN 0.585 nan 8.210 nan 0.000 0.501 171 G N 5.824 114.588 108.800 -0.061 0.000 2.338 171 G HA2 0.138 4.097 3.960 -0.002 0.000 0.295 171 G HA3 0.138 4.097 3.960 -0.002 0.000 0.295 171 G C -1.806 173.014 174.900 -0.134 0.000 1.461 171 G CA -0.721 44.226 45.100 -0.254 0.000 0.817 171 G HN 0.535 nan 8.290 nan 0.000 0.556 172 D N -0.326 119.975 120.400 -0.166 0.000 2.447 172 D HA 0.256 4.895 4.640 -0.002 0.000 0.265 172 D C 0.736 176.975 176.300 -0.101 0.000 1.250 172 D CA -0.326 53.627 54.000 -0.077 0.000 1.046 172 D CB 0.935 41.709 40.800 -0.043 0.000 1.095 172 D HN 0.467 nan 8.370 nan 0.000 0.555 173 R N 0.405 120.869 120.500 -0.059 0.000 2.585 173 R HA -0.088 4.251 4.340 -0.002 0.000 0.275 173 R C -0.295 175.938 176.300 -0.112 0.000 1.018 173 R CA 0.370 56.435 56.100 -0.058 0.000 1.072 173 R CB 0.046 30.334 30.300 -0.019 0.000 0.953 173 R HN 0.395 nan 8.270 nan 0.000 0.419 174 Q N 1.595 121.318 119.800 -0.128 0.000 2.448 174 Q HA -0.192 4.146 4.340 -0.002 0.000 0.356 174 Q C 0.046 175.744 176.000 -0.502 0.000 1.430 174 Q CA 1.130 56.814 55.803 -0.199 0.000 1.011 174 Q CB -1.141 27.555 28.738 -0.069 0.000 1.203 174 Q HN 0.951 nan 8.270 nan 0.000 0.351 175 T N -4.466 109.750 114.554 -0.563 0.000 2.975 175 T HA 0.446 4.795 4.350 -0.002 0.000 0.261 175 T C 0.956 175.226 174.700 -0.716 0.000 0.984 175 T CA 0.420 62.021 62.100 -0.832 0.000 0.911 175 T CB 1.221 69.802 68.868 -0.477 0.000 1.127 175 T HN 1.077 nan 8.240 nan 0.000 0.514 176 G N 1.976 110.514 108.800 -0.435 0.000 2.392 176 G HA2 -0.186 3.772 3.960 -0.002 0.000 0.215 176 G HA3 -0.186 3.772 3.960 -0.002 0.000 0.215 176 G C 0.443 175.257 174.900 -0.143 0.000 1.097 176 G CA 0.166 45.133 45.100 -0.221 0.000 0.840 176 G HN 0.489 nan 8.290 nan 0.000 0.492 177 K N -0.864 119.459 120.400 -0.128 0.000 2.076 177 K HA 0.032 4.350 4.320 -0.002 0.000 0.204 177 K C 2.392 178.975 176.600 -0.028 0.000 1.051 177 K CA 1.580 57.823 56.287 -0.073 0.000 0.949 177 K CB 0.005 32.471 32.500 -0.057 0.000 0.726 177 K HN 0.294 nan 8.250 nan 0.000 0.443 178 T N 0.842 115.383 114.554 -0.021 0.000 3.054 178 T HA 0.058 4.406 4.350 -0.002 0.000 0.259 178 T C 1.827 176.502 174.700 -0.042 0.000 1.092 178 T CA 0.714 62.815 62.100 0.001 0.000 1.121 178 T CB 0.085 68.967 68.868 0.023 0.000 0.912 178 T HN 0.227 nan 8.240 nan 0.000 0.489 179 A N 1.059 123.839 122.820 -0.067 0.000 2.019 179 A HA -0.020 4.298 4.320 -0.002 0.000 0.219 179 A C 2.361 179.886 177.584 -0.097 0.000 1.164 179 A CA 1.130 53.102 52.037 -0.108 0.000 0.644 179 A CB -0.666 18.272 19.000 -0.104 0.000 0.805 179 A HN 0.394 nan 8.150 nan 0.000 0.449 180 V N -0.995 118.885 119.914 -0.057 0.000 2.725 180 V HA -0.031 4.088 4.120 -0.002 0.000 0.247 180 V C 2.851 178.934 176.094 -0.018 0.000 1.058 180 V CA 1.420 63.700 62.300 -0.035 0.000 1.080 180 V CB -0.791 31.021 31.823 -0.018 0.000 0.713 180 V HN 0.555 nan 8.190 nan 0.000 0.465 181 A N 0.075 122.890 122.820 -0.008 0.000 1.898 181 A HA -0.076 4.243 4.320 -0.002 0.000 0.214 181 A C 2.097 179.678 177.584 -0.005 0.000 1.183 181 A CA 1.526 53.572 52.037 0.014 0.000 0.622 181 A CB -0.441 18.589 19.000 0.050 0.000 0.824 181 A HN 0.408 nan 8.150 nan 0.000 0.444 182 L N 0.306 121.504 121.223 -0.041 0.000 2.017 182 L HA -0.163 4.176 4.340 -0.002 0.000 0.208 182 L C 1.588 178.447 176.870 -0.019 0.000 1.073 182 L CA 2.440 57.249 54.840 -0.052 0.000 0.745 182 L CB -0.660 41.357 42.059 -0.069 0.000 0.894 182 L HN 0.339 nan 8.230 nan 0.000 0.432 183 D N -1.139 119.229 120.400 -0.053 0.000 2.178 183 D HA -0.157 4.481 4.640 -0.002 0.000 0.201 183 D C 1.980 178.277 176.300 -0.006 0.000 0.980 183 D CA 1.689 55.661 54.000 -0.046 0.000 0.842 183 D CB -0.072 40.675 40.800 -0.088 0.000 0.948 183 D HN 0.424 nan 8.370 nan 0.000 0.472 184 T N 1.212 115.771 114.554 0.009 0.000 2.746 184 T HA -0.081 4.268 4.350 -0.002 0.000 0.267 184 T C 2.252 176.986 174.700 0.057 0.000 1.039 184 T CA 0.600 62.722 62.100 0.036 0.000 1.142 184 T CB -0.106 68.786 68.868 0.040 0.000 0.866 184 T HN 0.207 nan 8.240 nan 0.000 0.444 185 I N 0.855 121.467 120.570 0.070 0.000 2.226 185 I HA -0.106 4.063 4.170 -0.002 0.000 0.245 185 I C 2.182 178.403 176.117 0.173 0.000 1.100 185 I CA 1.234 62.614 61.300 0.134 0.000 1.374 185 I CB -0.521 37.558 38.000 0.133 0.000 1.057 185 I HN 0.180 nan 8.210 nan 0.000 0.413 186 L N 0.522 121.806 121.223 0.101 0.000 2.217 186 L HA -0.145 4.193 4.340 -0.002 0.000 0.211 186 L C 2.126 179.006 176.870 0.016 0.000 1.107 186 L CA 1.092 55.977 54.840 0.075 0.000 0.783 186 L CB -0.684 41.359 42.059 -0.027 0.000 0.919 186 L HN 0.325 nan 8.230 nan 0.000 0.442 187 N N -0.600 118.091 118.700 -0.015 0.000 2.409 187 N HA -0.142 4.596 4.740 -0.002 0.000 0.179 187 N C 1.860 177.268 175.510 -0.169 0.000 1.032 187 N CA 0.519 53.513 53.050 -0.094 0.000 0.898 187 N CB 0.216 38.675 38.487 -0.048 0.000 0.971 187 N HN 0.155 nan 8.380 nan 0.000 0.441 188 Q N 0.388 120.149 119.800 -0.065 0.000 2.297 188 Q HA -0.085 4.254 4.340 -0.002 0.000 0.204 188 Q C 1.544 177.376 176.000 -0.280 0.000 0.962 188 Q CA 0.605 56.363 55.803 -0.076 0.000 0.879 188 Q CB -0.175 28.486 28.738 -0.129 0.000 0.947 188 Q HN 0.490 nan 8.270 nan 0.000 0.462 189 K N 1.006 121.272 120.400 -0.225 0.000 2.218 189 K HA -0.199 4.120 4.320 -0.002 0.000 0.205 189 K C 1.884 178.354 176.600 -0.216 0.000 1.046 189 K CA 0.965 57.178 56.287 -0.123 0.000 0.933 189 K CB 0.126 32.690 32.500 0.105 0.000 0.728 189 K HN -0.122 nan 8.250 nan 0.000 0.454 190 R N -0.384 119.867 120.500 -0.415 0.000 2.237 190 R HA -0.110 4.229 4.340 -0.002 0.000 0.219 190 R C 1.030 176.964 176.300 -0.611 0.000 1.080 190 R CA 1.413 57.149 56.100 -0.607 0.000 0.995 190 R CB -0.091 29.627 30.300 -0.970 0.000 0.875 190 R HN 0.396 nan 8.270 nan 0.000 0.462 191 W N -1.414 119.812 121.300 -0.122 0.000 2.873 191 W HA 0.283 4.942 4.660 -0.002 0.000 0.282 191 W C 0.817 177.238 176.519 -0.164 0.000 1.118 191 W CA -0.485 56.788 57.345 -0.121 0.000 1.480 191 W CB -0.311 29.081 29.460 -0.113 0.000 0.954 191 W HN 0.076 nan 8.180 nan 0.000 0.591 192 N N 1.184 119.840 118.700 -0.073 0.000 2.309 192 N HA -0.106 4.632 4.740 -0.002 0.000 0.182 192 N C 0.973 176.440 175.510 -0.072 0.000 1.018 192 N CA 0.928 53.861 53.050 -0.195 0.000 0.876 192 N CB -0.386 37.787 38.487 -0.523 0.000 0.972 192 N HN 0.173 nan 8.380 nan 0.000 0.434 193 N N 0.529 119.209 118.700 -0.034 0.000 2.398 193 N HA 0.024 4.762 4.740 -0.002 0.000 0.188 193 N C 0.994 176.508 175.510 0.006 0.000 1.122 193 N CA 0.054 53.103 53.050 -0.002 0.000 0.866 193 N CB 0.355 38.840 38.487 -0.003 0.000 0.970 193 N HN 0.133 nan 8.380 nan 0.000 0.462 194 G N -0.348 108.464 108.800 0.021 0.000 2.621 194 G HA2 0.203 4.162 3.960 -0.002 0.000 0.271 194 G HA3 0.203 4.162 3.960 -0.002 0.000 0.271 194 G C 0.732 175.653 174.900 0.035 0.000 1.236 194 G CA -0.325 44.800 45.100 0.041 0.000 0.958 194 G HN 0.038 nan 8.290 nan 0.000 0.512 195 S N -0.924 114.798 115.700 0.037 0.000 2.406 195 S HA -0.003 4.465 4.470 -0.002 0.000 0.224 195 S C 0.905 175.524 174.600 0.033 0.000 1.030 195 S CA 0.547 58.766 58.200 0.031 0.000 0.958 195 S CB -0.115 63.101 63.200 0.027 0.000 0.811 195 S HN 0.737 nan 8.310 nan 0.000 0.489 196 D N 0.899 121.321 120.400 0.037 0.000 2.382 196 D HA 0.072 4.710 4.640 -0.002 0.000 0.240 196 D C 0.994 177.311 176.300 0.029 0.000 1.146 196 D CA 0.235 54.253 54.000 0.030 0.000 0.897 196 D CB 0.646 41.462 40.800 0.028 0.000 1.197 196 D HN -0.070 nan 8.370 nan 0.000 0.432 197 E N 0.695 120.909 120.200 0.023 0.000 2.132 197 E HA -0.073 4.276 4.350 -0.002 0.000 0.193 197 E C 2.030 178.641 176.600 0.019 0.000 0.951 197 E CA 0.664 57.081 56.400 0.028 0.000 0.843 197 E CB -0.677 29.038 29.700 0.025 0.000 0.807 197 E HN 0.584 nan 8.360 nan 0.000 0.467 198 S N 1.398 117.101 115.700 0.006 0.000 2.465 198 S HA -0.087 4.382 4.470 -0.002 0.000 0.241 198 S C 1.660 176.300 174.600 0.067 0.000 1.000 198 S CA 0.861 59.085 58.200 0.040 0.000 0.964 198 S CB -0.064 63.165 63.200 0.048 0.000 0.763 198 S HN 0.009 nan 8.310 nan 0.000 0.512 199 K N 1.284 121.676 120.400 -0.013 0.000 2.211 199 K HA 0.215 4.533 4.320 -0.002 0.000 0.201 199 K C 0.545 177.096 176.600 -0.081 0.000 1.052 199 K CA 0.463 56.671 56.287 -0.132 0.000 0.973 199 K CB -0.079 32.357 32.500 -0.106 0.000 0.766 199 K HN 0.489 nan 8.250 nan 0.000 0.466 200 K N 1.246 121.647 120.400 0.002 0.000 2.355 200 K HA 0.107 4.426 4.320 -0.002 0.000 0.270 200 K C -0.275 176.304 176.600 -0.035 0.000 1.003 200 K CA -0.193 56.065 56.287 -0.048 0.000 0.957 200 K CB 0.485 32.900 32.500 -0.141 0.000 0.939 200 K HN -0.158 nan 8.250 nan 0.000 0.482 201 L N 3.825 124.974 121.223 -0.123 0.000 2.471 201 L HA 0.269 4.607 4.340 -0.002 0.000 0.263 201 L C -1.458 175.342 176.870 -0.117 0.000 0.985 201 L CA -0.461 54.362 54.840 -0.029 0.000 0.868 201 L CB 0.424 42.479 42.059 -0.008 0.000 1.203 201 L HN 0.430 nan 8.230 nan 0.000 0.429 202 Y N 2.806 122.997 120.300 -0.181 0.000 2.511 202 Y HA 0.274 4.822 4.550 -0.002 0.000 0.347 202 Y C 0.803 176.665 175.900 -0.064 0.000 1.257 202 Y CA 0.317 58.287 58.100 -0.217 0.000 1.469 202 Y CB 0.609 38.674 38.460 -0.659 0.000 1.353 202 Y HN 0.659 nan 8.280 nan 0.000 0.617 203 C N 2.269 121.687 119.300 0.196 0.000 2.498 203 C HA 0.829 5.288 4.460 -0.002 0.000 0.316 203 C C -1.024 174.087 174.990 0.202 0.000 1.209 203 C CA -0.625 58.508 59.018 0.190 0.000 1.518 203 C CB 0.180 28.056 27.740 0.227 0.000 2.147 203 C HN 0.558 nan 8.230 nan 0.000 0.483 204 V N 6.543 126.556 119.914 0.165 0.000 2.439 204 V HA 0.245 4.363 4.120 -0.002 0.000 0.277 204 V C -0.823 175.337 176.094 0.111 0.000 1.008 204 V CA -0.509 61.881 62.300 0.150 0.000 0.846 204 V CB 0.617 32.523 31.823 0.138 0.000 1.031 204 V HN 0.822 nan 8.190 nan 0.000 0.441 205 Y N 4.831 125.140 120.300 0.016 0.000 2.359 205 Y HA 0.575 5.124 4.550 -0.002 0.000 0.330 205 Y C -0.139 175.754 175.900 -0.011 0.000 1.143 205 Y CA -0.273 57.822 58.100 -0.008 0.000 1.318 205 Y CB 1.425 39.896 38.460 0.018 0.000 1.234 205 Y HN 0.369 nan 8.280 nan 0.000 0.522 206 V N 5.932 125.428 119.914 -0.697 0.000 2.407 206 V HA 0.686 4.805 4.120 -0.002 0.000 0.291 206 V C -0.497 175.154 176.094 -0.738 0.000 1.018 206 V CA -0.805 61.186 62.300 -0.516 0.000 0.842 206 V CB 0.999 32.691 31.823 -0.218 0.000 0.996 206 V HN 0.944 nan 8.190 nan 0.000 0.426 207 A N 5.155 127.688 122.820 -0.478 0.000 2.273 207 A HA 0.865 5.184 4.320 -0.002 0.000 0.315 207 A C -0.497 177.029 177.584 -0.096 0.000 1.256 207 A CA -0.553 51.321 52.037 -0.272 0.000 0.851 207 A CB 1.292 20.247 19.000 -0.075 0.000 1.172 207 A HN 1.436 nan 8.150 nan 0.000 0.508 208 V N 0.664 120.545 119.914 -0.055 0.000 2.638 208 V HA 0.854 4.973 4.120 -0.002 0.000 0.306 208 V C 0.591 176.696 176.094 0.019 0.000 1.052 208 V CA 0.080 62.374 62.300 -0.011 0.000 0.885 208 V CB 0.746 32.557 31.823 -0.021 0.000 0.999 208 V HN 2.447 nan 8.190 nan 0.000 0.424 209 G N 2.674 111.494 108.800 0.034 0.000 2.153 209 G HA2 -0.221 3.737 3.960 -0.002 0.000 0.252 209 G HA3 -0.221 3.737 3.960 -0.002 0.000 0.252 209 G C 0.121 175.049 174.900 0.047 0.000 0.994 209 G CA 0.834 45.961 45.100 0.044 0.000 0.698 209 G HN 1.031 nan 8.290 nan 0.000 0.521 210 Q N -0.509 119.319 119.800 0.047 0.000 2.169 210 Q HA 0.578 4.917 4.340 -0.002 0.000 0.234 210 Q C 0.442 176.474 176.000 0.054 0.000 0.980 210 Q CA -0.727 55.110 55.803 0.057 0.000 0.941 210 Q CB 1.079 29.861 28.738 0.074 0.000 1.199 210 Q HN 0.359 nan 8.270 nan 0.000 0.496 211 K N 0.607 121.041 120.400 0.056 0.000 2.107 211 K HA 0.241 4.559 4.320 -0.002 0.000 0.251 211 K C 1.053 177.685 176.600 0.052 0.000 1.012 211 K CA -0.708 55.609 56.287 0.049 0.000 0.920 211 K CB 0.784 33.311 32.500 0.045 0.000 1.033 211 K HN 0.340 nan 8.250 nan 0.000 0.478 212 R N 0.702 121.229 120.500 0.045 0.000 2.070 212 R HA -0.130 4.209 4.340 -0.002 0.000 0.233 212 R C 2.357 178.683 176.300 0.043 0.000 1.137 212 R CA 2.134 58.260 56.100 0.043 0.000 0.945 212 R CB -1.009 29.313 30.300 0.036 0.000 0.845 212 R HN 0.851 nan 8.270 nan 0.000 0.430 213 S N 0.198 115.922 115.700 0.039 0.000 2.370 213 S HA -0.135 4.334 4.470 -0.002 0.000 0.226 213 S C 2.057 176.682 174.600 0.042 0.000 1.033 213 S CA 1.871 60.092 58.200 0.036 0.000 1.011 213 S CB -0.826 62.393 63.200 0.031 0.000 0.852 213 S HN 0.252 nan 8.310 nan 0.000 0.457 214 T N 2.170 116.755 114.554 0.050 0.000 2.759 214 T HA -0.049 4.300 4.350 -0.002 0.000 0.269 214 T C 1.867 176.611 174.700 0.074 0.000 1.042 214 T CA 1.562 63.698 62.100 0.060 0.000 1.140 214 T CB -0.552 68.356 68.868 0.068 0.000 0.864 214 T HN 0.337 nan 8.240 nan 0.000 0.455 215 V N 1.259 121.223 119.914 0.083 0.000 2.446 215 V HA 0.016 4.135 4.120 -0.002 0.000 0.244 215 V C 2.870 179.007 176.094 0.071 0.000 1.039 215 V CA 1.235 63.599 62.300 0.106 0.000 1.045 215 V CB -1.171 30.722 31.823 0.116 0.000 0.681 215 V HN 0.492 nan 8.190 nan 0.000 0.459 216 A N -0.157 122.694 122.820 0.052 0.000 1.883 216 A HA -0.311 4.008 4.320 -0.002 0.000 0.217 216 A C 2.173 179.770 177.584 0.021 0.000 1.186 216 A CA 2.146 54.204 52.037 0.034 0.000 0.624 216 A CB -0.543 18.473 19.000 0.027 0.000 0.822 216 A HN 0.624 nan 8.150 nan 0.000 0.444 217 Q N -0.860 118.954 119.800 0.023 0.000 2.167 217 Q HA -0.042 4.297 4.340 -0.002 0.000 0.202 217 Q C 2.097 178.103 176.000 0.009 0.000 0.970 217 Q CA 1.199 57.010 55.803 0.013 0.000 0.855 217 Q CB -0.292 28.458 28.738 0.021 0.000 0.911 217 Q HN 0.733 nan 8.270 nan 0.000 0.438 218 L N 0.129 121.363 121.223 0.018 0.000 2.093 218 L HA -0.163 4.175 4.340 -0.002 0.000 0.208 218 L C 2.054 178.912 176.870 -0.020 0.000 1.085 218 L CA 0.814 55.652 54.840 -0.004 0.000 0.755 218 L CB -0.035 42.016 42.059 -0.013 0.000 0.904 218 L HN 0.044 nan 8.230 nan 0.000 0.435 219 V N -0.245 119.668 119.914 -0.001 0.000 2.307 219 V HA -0.301 3.818 4.120 -0.002 0.000 0.245 219 V C 2.468 178.544 176.094 -0.031 0.000 1.045 219 V CA 1.907 64.202 62.300 -0.008 0.000 1.024 219 V CB -0.622 31.208 31.823 0.012 0.000 0.651 219 V HN 0.530 nan 8.190 nan 0.000 0.449 220 Q N 0.570 120.351 119.800 -0.032 0.000 2.112 220 Q HA -0.216 4.123 4.340 -0.002 0.000 0.206 220 Q C 2.142 178.085 176.000 -0.096 0.000 0.987 220 Q CA 2.710 58.479 55.803 -0.056 0.000 0.858 220 Q CB -0.788 27.922 28.738 -0.047 0.000 0.905 220 Q HN 0.629 nan 8.270 nan 0.000 0.420 221 T N 0.748 115.253 114.554 -0.082 0.000 2.833 221 T HA -0.079 4.269 4.350 -0.002 0.000 0.269 221 T C 1.634 176.275 174.700 -0.099 0.000 1.054 221 T CA 1.263 63.289 62.100 -0.123 0.000 1.135 221 T CB -0.181 68.684 68.868 -0.006 0.000 0.869 221 T HN 0.244 nan 8.240 nan 0.000 0.466 222 L N 0.618 121.817 121.223 -0.039 0.000 2.056 222 L HA -0.075 4.264 4.340 -0.002 0.000 0.207 222 L C 2.682 179.503 176.870 -0.081 0.000 1.078 222 L CA 1.404 56.226 54.840 -0.030 0.000 0.749 222 L CB -0.583 41.443 42.059 -0.055 0.000 0.901 222 L HN 0.327 nan 8.230 nan 0.000 0.433 223 E N -0.136 120.004 120.200 -0.100 0.000 2.106 223 E HA -0.230 4.118 4.350 -0.002 0.000 0.192 223 E C 2.229 178.749 176.600 -0.133 0.000 0.984 223 E CA 0.903 57.240 56.400 -0.105 0.000 0.806 223 E CB -0.071 29.578 29.700 -0.085 0.000 0.750 223 E HN 0.554 nan 8.360 nan 0.000 0.458 224 Q N -0.051 119.623 119.800 -0.210 0.000 2.124 224 Q HA -0.139 4.200 4.340 -0.002 0.000 0.202 224 Q C 1.625 177.445 176.000 -0.300 0.000 0.977 224 Q CA 0.998 56.621 55.803 -0.299 0.000 0.850 224 Q CB 0.004 28.468 28.738 -0.457 0.000 0.901 224 Q HN 0.434 nan 8.270 nan 0.000 0.429 225 H N -0.090 118.926 119.070 -0.090 0.000 2.539 225 H HA 0.039 4.594 4.556 -0.002 0.000 0.267 225 H C -0.189 175.097 175.328 -0.070 0.000 0.982 225 H CA 0.591 56.594 56.048 -0.074 0.000 1.146 225 H CB 0.062 29.789 29.762 -0.059 0.000 1.382 225 H HN 0.262 nan 8.280 nan 0.000 0.577 226 D N 0.202 120.590 120.400 -0.019 0.000 2.737 226 D HA -0.176 4.463 4.640 -0.002 0.000 0.238 226 D C 0.611 176.825 176.300 -0.142 0.000 1.157 226 D CA 0.706 54.667 54.000 -0.066 0.000 0.694 226 D CB -0.963 39.820 40.800 -0.029 0.000 1.021 226 D HN 0.473 nan 8.370 nan 0.000 0.420 227 A N 0.571 123.242 122.820 -0.248 0.000 2.456 227 A HA 0.230 4.549 4.320 -0.002 0.000 0.237 227 A C 1.664 178.767 177.584 -0.801 0.000 1.217 227 A CA 0.589 52.243 52.037 -0.637 0.000 0.962 227 A CB 0.069 18.938 19.000 -0.217 0.000 1.079 227 A HN 0.333 nan 8.150 nan 0.000 0.536 228 M N 1.327 120.691 119.600 -0.393 0.000 2.394 228 M HA -0.032 4.447 4.480 -0.002 0.000 0.264 228 M C 1.864 178.021 176.300 -0.237 0.000 1.073 228 M CA 1.787 56.936 55.300 -0.251 0.000 1.111 228 M CB -0.541 31.982 32.600 -0.128 0.000 1.401 228 M HN 0.444 nan 8.290 nan 0.000 0.448 229 K N -0.024 120.205 120.400 -0.284 0.000 2.103 229 K HA -0.194 4.125 4.320 -0.002 0.000 0.207 229 K C 0.550 177.116 176.600 -0.056 0.000 1.048 229 K CA 1.931 58.136 56.287 -0.136 0.000 0.930 229 K CB -1.023 31.428 32.500 -0.082 0.000 0.716 229 K HN 0.602 nan 8.250 nan 0.000 0.444 230 Y N 0.077 120.372 120.300 -0.010 0.000 2.720 230 Y HA 0.548 5.097 4.550 -0.002 0.000 0.277 230 Y C -0.634 175.273 175.900 0.012 0.000 1.144 230 Y CA -1.338 56.734 58.100 -0.047 0.000 1.221 230 Y CB 0.155 38.507 38.460 -0.180 0.000 1.163 230 Y HN -0.134 nan 8.280 nan 0.000 0.537 231 S N 1.225 116.972 115.700 0.080 0.000 2.541 231 S HA 0.690 5.159 4.470 -0.002 0.000 0.280 231 S C -0.835 173.841 174.600 0.126 0.000 1.112 231 S CA -0.667 57.609 58.200 0.127 0.000 0.925 231 S CB 1.783 65.007 63.200 0.040 0.000 1.067 231 S HN 0.281 nan 8.310 nan 0.000 0.479 232 I N 2.892 123.563 120.570 0.168 0.000 2.474 232 I HA 0.464 4.633 4.170 -0.002 0.000 0.294 232 I C -0.982 175.216 176.117 0.136 0.000 1.005 232 I CA -0.800 60.589 61.300 0.148 0.000 1.113 232 I CB 1.349 39.456 38.000 0.178 0.000 1.289 232 I HN 0.358 nan 8.210 nan 0.000 0.436 233 I N 6.678 127.314 120.570 0.110 0.000 2.378 233 I HA 0.397 4.566 4.170 -0.002 0.000 0.291 233 I C -0.202 175.957 176.117 0.071 0.000 0.992 233 I CA -0.718 60.652 61.300 0.118 0.000 1.154 233 I CB 1.732 39.808 38.000 0.126 0.000 1.315 233 I HN 0.138 nan 8.210 nan 0.000 0.448 234 V N 5.420 125.358 119.914 0.039 0.000 2.448 234 V HA 0.734 4.852 4.120 -0.002 0.000 0.295 234 V C 0.297 176.391 176.094 -0.000 0.000 1.025 234 V CA -0.683 61.626 62.300 0.015 0.000 0.859 234 V CB 1.713 33.536 31.823 -0.000 0.000 0.988 234 V HN 0.863 nan 8.190 nan 0.000 0.431 235 A N 3.742 126.574 122.820 0.019 0.000 2.317 235 A HA 0.912 5.231 4.320 -0.002 0.000 0.327 235 A C 0.152 177.753 177.584 0.028 0.000 1.178 235 A CA -0.151 51.901 52.037 0.024 0.000 0.817 235 A CB 1.499 20.523 19.000 0.040 0.000 1.189 235 A HN 1.545 nan 8.150 nan 0.000 0.489 236 A N 2.443 125.277 122.820 0.024 0.000 3.453 236 A HA 0.542 4.861 4.320 -0.002 0.000 0.262 236 A C 0.404 178.011 177.584 0.039 0.000 1.026 236 A CA 0.217 52.276 52.037 0.037 0.000 0.938 236 A CB -0.806 18.212 19.000 0.029 0.000 1.246 236 A HN 1.534 nan 8.150 nan 0.000 0.546 237 T N -1.865 112.715 114.554 0.044 0.000 2.788 237 T HA 0.356 4.704 4.350 -0.002 0.000 0.333 237 T C 1.504 176.231 174.700 0.046 0.000 1.090 237 T CA 0.247 62.374 62.100 0.045 0.000 1.094 237 T CB 0.922 69.817 68.868 0.045 0.000 0.999 237 T HN 1.186 nan 8.240 nan 0.000 0.549 238 A N 1.573 124.420 122.820 0.044 0.000 1.930 238 A HA -0.021 4.297 4.320 -0.002 0.000 0.217 238 A C 2.671 180.279 177.584 0.041 0.000 1.175 238 A CA 1.754 53.817 52.037 0.043 0.000 0.627 238 A CB -1.416 17.608 19.000 0.041 0.000 0.815 238 A HN 1.183 nan 8.150 nan 0.000 0.443 239 S N 0.340 116.063 115.700 0.039 0.000 2.383 239 S HA -0.155 4.314 4.470 -0.002 0.000 0.229 239 S C 0.761 175.386 174.600 0.042 0.000 1.030 239 S CA 0.838 59.060 58.200 0.037 0.000 1.002 239 S CB -0.574 62.647 63.200 0.036 0.000 0.829 239 S HN 0.665 nan 8.310 nan 0.000 0.467 240 E N 1.709 121.938 120.200 0.049 0.000 2.418 240 E HA 0.418 4.767 4.350 -0.002 0.000 0.261 240 E C 0.313 176.946 176.600 0.056 0.000 1.070 240 E CA -0.088 56.347 56.400 0.059 0.000 0.931 240 E CB 0.356 30.097 29.700 0.068 0.000 0.954 240 E HN 0.550 nan 8.360 nan 0.000 0.439 241 A N 2.018 124.874 122.820 0.061 0.000 2.520 241 A HA 0.190 4.508 4.320 -0.002 0.000 0.235 241 A C 1.313 178.917 177.584 0.034 0.000 1.065 241 A CA 0.598 52.660 52.037 0.042 0.000 0.764 241 A CB 0.334 19.359 19.000 0.041 0.000 1.002 241 A HN 0.803 nan 8.150 nan 0.000 0.502 242 A N 3.046 125.877 122.820 0.018 0.000 1.884 242 A HA -0.113 4.206 4.320 -0.002 0.000 0.219 242 A C -0.058 177.555 177.584 0.048 0.000 1.197 242 A CA 2.260 54.316 52.037 0.032 0.000 0.637 242 A CB -1.885 17.122 19.000 0.013 0.000 0.827 242 A HN 0.649 nan 8.150 nan 0.000 0.450 243 P HA -0.172 nan 4.420 nan 0.000 0.216 243 P C 1.478 178.807 177.300 0.048 0.000 1.150 243 P CA 1.020 64.081 63.100 -0.065 0.000 0.843 243 P CB -0.220 31.201 31.700 -0.465 0.000 0.787 244 L N -0.845 120.412 121.223 0.056 0.000 2.012 244 L HA -0.250 4.088 4.340 -0.002 0.000 0.210 244 L C 2.516 179.463 176.870 0.128 0.000 1.073 244 L CA 1.739 56.674 54.840 0.159 0.000 0.748 244 L CB -1.157 40.993 42.059 0.153 0.000 0.891 244 L HN 0.059 nan 8.230 nan 0.000 0.431 245 Q N -1.380 118.483 119.800 0.106 0.000 2.291 245 Q HA -0.232 4.107 4.340 -0.002 0.000 0.205 245 Q C 1.944 178.001 176.000 0.094 0.000 0.970 245 Q CA 1.434 57.286 55.803 0.081 0.000 0.876 245 Q CB -0.144 28.641 28.738 0.079 0.000 0.935 245 Q HN 0.534 nan 8.270 nan 0.000 0.455 246 Y N 0.320 120.634 120.300 0.023 0.000 2.269 246 Y HA -0.077 4.472 4.550 -0.002 0.000 0.294 246 Y C 1.686 177.646 175.900 0.100 0.000 1.120 246 Y CA 0.709 58.831 58.100 0.036 0.000 1.159 246 Y CB 0.060 38.570 38.460 0.083 0.000 1.024 246 Y HN 0.083 nan 8.280 nan 0.000 0.532 247 L N 0.461 121.679 121.223 -0.008 0.000 2.446 247 L HA 0.329 4.667 4.340 -0.002 0.000 0.219 247 L C 2.224 179.116 176.870 0.036 0.000 1.116 247 L CA 1.343 56.197 54.840 0.023 0.000 0.844 247 L CB -0.959 41.232 42.059 0.219 0.000 0.970 247 L HN 0.244 nan 8.230 nan 0.000 0.457 248 A N 1.234 124.056 122.820 0.003 0.000 1.908 248 A HA -0.089 4.230 4.320 -0.002 0.000 0.218 248 A C -0.118 177.432 177.584 -0.057 0.000 1.181 248 A CA 1.927 53.959 52.037 -0.007 0.000 0.627 248 A CB -1.958 17.040 19.000 -0.004 0.000 0.818 248 A HN 0.476 nan 8.150 nan 0.000 0.445 249 P HA -0.117 nan 4.420 nan 0.000 0.216 249 P C 1.170 178.341 177.300 -0.216 0.000 1.153 249 P CA 0.971 63.925 63.100 -0.245 0.000 0.844 249 P CB -0.269 31.000 31.700 -0.717 0.000 0.787 250 F N 1.331 121.184 119.950 -0.161 0.000 2.075 250 F HA -0.158 4.368 4.527 -0.003 0.000 0.297 250 F C 2.806 178.564 175.800 -0.069 0.000 1.113 250 F CA 2.173 60.083 58.000 -0.149 0.000 1.218 250 F CB -2.131 36.726 39.000 -0.239 0.000 0.984 250 F HN 0.011 nan 8.300 nan 0.000 0.472 251 T N -1.397 113.234 114.554 0.129 0.000 2.674 251 T HA -0.199 4.149 4.350 -0.002 0.000 0.265 251 T C 2.217 176.947 174.700 0.049 0.000 1.039 251 T CA 1.214 63.355 62.100 0.067 0.000 1.150 251 T CB -1.166 67.731 68.868 0.048 0.000 0.864 251 T HN 0.198 nan 8.240 nan 0.000 0.427 252 A N 2.099 124.946 122.820 0.045 0.000 1.986 252 A HA 0.142 4.460 4.320 -0.002 0.000 0.220 252 A C 2.813 180.430 177.584 0.055 0.000 1.171 252 A CA 2.277 54.338 52.037 0.039 0.000 0.640 252 A CB -1.446 17.570 19.000 0.027 0.000 0.811 252 A HN 0.866 nan 8.150 nan 0.000 0.451 253 A N -0.642 122.231 122.820 0.088 0.000 1.877 253 A HA -0.060 4.258 4.320 -0.002 0.000 0.216 253 A C 2.411 180.039 177.584 0.074 0.000 1.186 253 A CA 1.990 54.087 52.037 0.101 0.000 0.620 253 A CB -0.867 18.215 19.000 0.137 0.000 0.822 253 A HN 0.476 nan 8.150 nan 0.000 0.443 254 S N -0.057 115.678 115.700 0.058 0.000 2.419 254 S HA -0.076 4.393 4.470 -0.002 0.000 0.233 254 S C 1.692 176.298 174.600 0.010 0.000 1.016 254 S CA 1.265 59.485 58.200 0.034 0.000 0.974 254 S CB -0.511 62.700 63.200 0.018 0.000 0.786 254 S HN 0.551 nan 8.310 nan 0.000 0.492 255 I N 1.269 121.840 120.570 0.002 0.000 2.286 255 I HA -0.136 4.033 4.170 -0.002 0.000 0.248 255 I C 2.547 178.647 176.117 -0.029 0.000 1.115 255 I CA 1.318 62.595 61.300 -0.039 0.000 1.392 255 I CB -0.631 37.372 38.000 0.006 0.000 1.065 255 I HN 0.378 nan 8.210 nan 0.000 0.418 256 G N -0.188 108.668 108.800 0.093 0.000 2.603 256 G HA2 -0.069 3.889 3.960 -0.002 0.000 0.214 256 G HA3 -0.069 3.889 3.960 -0.002 0.000 0.214 256 G C 1.429 176.429 174.900 0.168 0.000 1.140 256 G CA -0.061 45.183 45.100 0.240 0.000 0.800 256 G HN 0.350 nan 8.290 nan 0.000 0.533 257 E N -0.442 119.809 120.200 0.086 0.000 2.204 257 E HA -0.151 4.198 4.350 -0.002 0.000 0.195 257 E C 1.868 178.486 176.600 0.030 0.000 0.990 257 E CA 0.503 56.940 56.400 0.061 0.000 0.821 257 E CB -0.123 29.606 29.700 0.049 0.000 0.750 257 E HN 0.613 nan 8.360 nan 0.000 0.477 258 W N 0.955 122.112 121.300 -0.239 0.000 2.332 258 W HA -0.246 4.413 4.660 -0.002 0.000 0.321 258 W C 1.636 177.971 176.519 -0.307 0.000 1.219 258 W CA 1.669 58.812 57.345 -0.337 0.000 1.277 258 W CB -0.519 28.621 29.460 -0.533 0.000 1.161 258 W HN -0.007 nan 8.180 nan 0.000 0.476 259 F N 0.484 120.421 119.950 -0.022 0.000 2.192 259 F HA -0.204 4.322 4.527 -0.002 0.000 0.301 259 F C 2.639 178.279 175.800 -0.267 0.000 1.079 259 F CA 2.087 59.925 58.000 -0.269 0.000 1.303 259 F CB -1.460 37.403 39.000 -0.229 0.000 1.024 259 F HN -0.063 nan 8.300 nan 0.000 0.494 260 R N 0.745 121.251 120.500 0.009 0.000 2.066 260 R HA -0.149 4.190 4.340 -0.002 0.000 0.232 260 R C 1.746 177.983 176.300 -0.105 0.000 1.131 260 R CA 2.006 58.096 56.100 -0.017 0.000 0.955 260 R CB -0.441 29.875 30.300 0.026 0.000 0.851 260 R HN 0.213 nan 8.270 nan 0.000 0.432 261 D N 0.358 120.663 120.400 -0.159 0.000 2.219 261 D HA -0.105 4.534 4.640 -0.002 0.000 0.205 261 D C 0.853 177.003 176.300 -0.250 0.000 0.970 261 D CA 0.735 54.627 54.000 -0.180 0.000 0.851 261 D CB -0.210 40.486 40.800 -0.173 0.000 0.943 261 D HN 0.309 nan 8.370 nan 0.000 0.488 262 N N 0.202 118.675 118.700 -0.379 0.000 2.461 262 N HA 0.023 4.761 4.740 -0.002 0.000 0.188 262 N C 1.379 176.733 175.510 -0.261 0.000 1.134 262 N CA 0.690 53.502 53.050 -0.397 0.000 0.878 262 N CB 0.928 39.020 38.487 -0.659 0.000 0.972 262 N HN 0.245 nan 8.380 nan 0.000 0.456 263 G N 0.674 109.346 108.800 -0.213 0.000 2.157 263 G HA2 -0.286 3.672 3.960 -0.002 0.000 0.248 263 G HA3 -0.286 3.672 3.960 -0.002 0.000 0.248 263 G C 0.128 174.852 174.900 -0.293 0.000 0.979 263 G CA 0.125 45.109 45.100 -0.193 0.000 0.650 263 G HN 0.334 nan 8.290 nan 0.000 0.529 264 K N -0.069 120.167 120.400 -0.274 0.000 2.177 264 K HA 0.647 4.965 4.320 -0.002 0.000 0.238 264 K C -0.293 176.127 176.600 -0.300 0.000 1.015 264 K CA -0.883 55.223 56.287 -0.302 0.000 0.922 264 K CB 0.705 33.119 32.500 -0.145 0.000 1.127 264 K HN 0.290 nan 8.250 nan 0.000 0.469 265 H N -0.408 118.697 119.070 0.058 0.000 2.469 265 H HA 0.535 5.090 4.556 -0.002 0.000 0.342 265 H C -0.747 174.633 175.328 0.087 0.000 1.115 265 H CA -0.725 55.354 56.048 0.050 0.000 1.204 265 H CB 1.843 31.609 29.762 0.007 0.000 1.492 265 H HN 0.707 nan 8.280 nan 0.000 0.499 266 A N 2.457 125.405 122.820 0.212 0.000 2.430 266 A HA 0.656 4.974 4.320 -0.002 0.000 0.300 266 A C -1.381 176.282 177.584 0.132 0.000 1.124 266 A CA -0.683 51.461 52.037 0.178 0.000 0.766 266 A CB 1.868 21.049 19.000 0.303 0.000 1.328 266 A HN 0.440 nan 8.150 nan 0.000 0.424 267 L N 1.256 122.548 121.223 0.115 0.000 2.491 267 L HA 0.648 4.987 4.340 -0.002 0.000 0.267 267 L C -1.353 175.544 176.870 0.045 0.000 0.971 267 L CA -0.136 54.743 54.840 0.066 0.000 0.857 267 L CB 1.193 43.288 42.059 0.059 0.000 1.226 267 L HN 0.722 nan 8.230 nan 0.000 0.408 268 I N 5.278 125.830 120.570 -0.029 0.000 2.441 268 I HA 0.697 4.865 4.170 -0.002 0.000 0.295 268 I C -1.255 174.696 176.117 -0.276 0.000 0.994 268 I CA -0.738 60.471 61.300 -0.151 0.000 1.144 268 I CB 1.780 39.630 38.000 -0.250 0.000 1.314 268 I HN 0.413 nan 8.210 nan 0.000 0.445 269 V N 7.639 127.396 119.914 -0.262 0.000 2.443 269 V HA 0.331 4.450 4.120 -0.002 0.000 0.293 269 V C -1.122 174.787 176.094 -0.308 0.000 1.021 269 V CA -0.550 61.634 62.300 -0.192 0.000 0.848 269 V CB 1.283 33.164 31.823 0.097 0.000 0.998 269 V HN 0.489 nan 8.190 nan 0.000 0.424 270 Y N 2.390 122.664 120.300 -0.044 0.000 2.350 270 Y HA 0.562 5.111 4.550 -0.002 0.000 0.340 270 Y C 0.264 176.119 175.900 -0.075 0.000 1.006 270 Y CA -0.847 57.186 58.100 -0.112 0.000 1.166 270 Y CB 1.035 39.428 38.460 -0.112 0.000 1.168 270 Y HN 0.678 nan 8.280 nan 0.000 0.502 271 D N 2.877 123.278 120.400 0.002 0.000 2.364 271 D HA 0.245 4.883 4.640 -0.002 0.000 0.251 271 D C -1.820 174.485 176.300 0.008 0.000 1.282 271 D CA -0.498 53.523 54.000 0.035 0.000 0.927 271 D CB 0.302 41.175 40.800 0.122 0.000 1.267 271 D HN 0.641 nan 8.370 nan 0.000 0.531 272 D N 0.506 120.924 120.400 0.031 0.000 2.581 272 D HA 0.265 4.904 4.640 -0.002 0.000 0.232 272 D C 0.767 177.090 176.300 0.038 0.000 1.143 272 D CA -0.813 53.220 54.000 0.056 0.000 0.881 272 D CB 1.266 42.103 40.800 0.062 0.000 1.500 272 D HN 0.127 nan 8.370 nan 0.000 0.458 273 L N 0.329 121.578 121.223 0.044 0.000 2.217 273 L HA -0.059 4.280 4.340 -0.002 0.000 0.211 273 L C 2.242 179.206 176.870 0.157 0.000 1.107 273 L CA 0.826 55.680 54.840 0.023 0.000 0.783 273 L CB -0.355 41.740 42.059 0.060 0.000 0.919 273 L HN 0.560 nan 8.230 nan 0.000 0.442 274 S N 0.158 115.927 115.700 0.116 0.000 2.382 274 S HA -0.186 4.282 4.470 -0.002 0.000 0.228 274 S C 2.010 176.690 174.600 0.133 0.000 1.027 274 S CA 1.385 59.647 58.200 0.104 0.000 0.991 274 S CB 0.042 63.281 63.200 0.064 0.000 0.823 274 S HN 0.350 nan 8.310 nan 0.000 0.469 275 K N 0.730 121.195 120.400 0.108 0.000 2.057 275 K HA -0.139 4.179 4.320 -0.002 0.000 0.206 275 K C 2.454 179.132 176.600 0.129 0.000 1.050 275 K CA 1.364 57.718 56.287 0.113 0.000 0.935 275 K CB -0.294 32.254 32.500 0.079 0.000 0.715 275 K HN 0.513 nan 8.250 nan 0.000 0.439 276 Q N 1.032 120.889 119.800 0.094 0.000 1.998 276 Q HA -0.270 4.069 4.340 -0.002 0.000 0.209 276 Q C 2.077 178.200 176.000 0.206 0.000 1.002 276 Q CA 2.230 58.088 55.803 0.091 0.000 0.858 276 Q CB -0.306 28.393 28.738 -0.064 0.000 0.932 276 Q HN 0.328 nan 8.270 nan 0.000 0.416 277 A N 0.037 123.010 122.820 0.254 0.000 1.958 277 A HA -0.197 4.122 4.320 -0.002 0.000 0.221 277 A C 2.231 180.089 177.584 0.457 0.000 1.178 277 A CA 1.910 54.185 52.037 0.398 0.000 0.642 277 A CB -0.856 18.342 19.000 0.330 0.000 0.816 277 A HN 0.370 nan 8.150 nan 0.000 0.453 278 V N -0.507 119.634 119.914 0.377 0.000 2.358 278 V HA -0.209 3.910 4.120 -0.002 0.000 0.246 278 V C 3.019 179.220 176.094 0.178 0.000 1.047 278 V CA 1.862 64.340 62.300 0.297 0.000 1.035 278 V CB -1.230 30.725 31.823 0.219 0.000 0.658 278 V HN 0.630 nan 8.190 nan 0.000 0.452 279 A N -0.910 122.015 122.820 0.174 0.000 1.933 279 A HA -0.251 4.068 4.320 -0.002 0.000 0.218 279 A C 2.175 179.842 177.584 0.140 0.000 1.175 279 A CA 1.994 54.110 52.037 0.131 0.000 0.628 279 A CB -0.686 18.394 19.000 0.134 0.000 0.814 279 A HN 0.640 nan 8.150 nan 0.000 0.444 280 Y N 1.359 121.704 120.300 0.075 0.000 2.263 280 Y HA -0.154 4.395 4.550 -0.002 0.000 0.292 280 Y C 2.457 178.363 175.900 0.011 0.000 1.130 280 Y CA 1.642 59.742 58.100 -0.000 0.000 1.179 280 Y CB -0.345 38.160 38.460 0.076 0.000 0.998 280 Y HN 0.453 nan 8.280 nan 0.000 0.532 281 R N 0.543 121.038 120.500 -0.008 0.000 2.193 281 R HA -0.218 4.120 4.340 -0.002 0.000 0.229 281 R C 2.135 178.330 176.300 -0.175 0.000 1.110 281 R CA 1.697 57.727 56.100 -0.117 0.000 0.988 281 R CB -0.708 29.590 30.300 -0.003 0.000 0.871 281 R HN 0.538 nan 8.270 nan 0.000 0.458 282 Q N 1.369 121.099 119.800 -0.117 0.000 1.942 282 Q HA -0.140 4.198 4.340 -0.002 0.000 0.203 282 Q C 2.221 178.129 176.000 -0.153 0.000 0.987 282 Q CA 1.920 57.659 55.803 -0.107 0.000 0.844 282 Q CB -0.133 28.573 28.738 -0.054 0.000 0.911 282 Q HN 0.503 nan 8.270 nan 0.000 0.423 283 L N 0.608 121.719 121.223 -0.186 0.000 2.127 283 L HA -0.191 4.148 4.340 -0.002 0.000 0.211 283 L C 2.746 179.452 176.870 -0.272 0.000 1.089 283 L CA 1.110 55.824 54.840 -0.209 0.000 0.757 283 L CB -0.558 41.367 42.059 -0.223 0.000 0.899 283 L HN 0.312 nan 8.230 nan 0.000 0.434 284 S N 0.179 115.627 115.700 -0.420 0.000 2.368 284 S HA -0.103 4.365 4.470 -0.002 0.000 0.224 284 S C 1.947 176.421 174.600 -0.211 0.000 1.029 284 S CA 1.116 59.075 58.200 -0.402 0.000 0.988 284 S CB -0.080 62.798 63.200 -0.535 0.000 0.838 284 S HN 0.333 nan 8.310 nan 0.000 0.462 285 L N 0.816 121.933 121.223 -0.177 0.000 2.131 285 L HA 0.055 4.393 4.340 -0.002 0.000 0.206 285 L C 2.352 179.164 176.870 -0.096 0.000 1.087 285 L CA 0.629 55.397 54.840 -0.120 0.000 0.767 285 L CB -0.454 41.538 42.059 -0.111 0.000 0.917 285 L HN 0.314 nan 8.230 nan 0.000 0.441 286 L N -0.241 120.922 121.223 -0.100 0.000 2.046 286 L HA -0.205 4.134 4.340 -0.002 0.000 0.208 286 L C 2.044 178.875 176.870 -0.066 0.000 1.077 286 L CA 1.146 55.941 54.840 -0.075 0.000 0.747 286 L CB -0.406 41.609 42.059 -0.074 0.000 0.896 286 L HN 0.273 nan 8.230 nan 0.000 0.432 287 L N -0.080 121.096 121.223 -0.078 0.000 2.675 287 L HA 0.039 4.378 4.340 -0.002 0.000 0.239 287 L C 0.129 176.969 176.870 -0.049 0.000 1.151 287 L CA -0.083 54.722 54.840 -0.058 0.000 0.905 287 L CB -0.612 41.409 42.059 -0.064 0.000 1.057 287 L HN 0.256 nan 8.230 nan 0.000 0.435 288 R N 1.421 121.889 120.500 -0.054 0.000 2.877 288 R HA -0.122 4.217 4.340 -0.002 0.000 0.275 288 R C -0.690 175.586 176.300 -0.041 0.000 0.924 288 R CA 0.258 56.332 56.100 -0.044 0.000 0.715 288 R CB -1.094 29.187 30.300 -0.031 0.000 1.761 288 R HN 0.262 nan 8.270 nan 0.000 0.498 289 R N 1.451 121.921 120.500 -0.051 0.000 2.480 289 R HA 0.335 4.674 4.340 -0.002 0.000 0.306 289 R C -2.376 173.903 176.300 -0.035 0.000 0.958 289 R CA -2.574 53.502 56.100 -0.040 0.000 0.861 289 R CB 1.180 31.451 30.300 -0.049 0.000 1.171 289 R HN 0.067 nan 8.270 nan 0.000 0.445 290 P HA -0.018 nan 4.420 nan 0.000 0.257 290 P C -2.081 175.206 177.300 -0.022 0.000 1.162 290 P CA -0.364 62.724 63.100 -0.020 0.000 0.762 290 P CB -0.055 31.639 31.700 -0.009 0.000 0.753 291 P HA 0.139 nan 4.420 nan 0.000 0.271 291 P C 0.303 177.579 177.300 -0.039 0.000 1.218 291 P CA 0.124 63.197 63.100 -0.045 0.000 0.780 291 P CB 1.091 32.755 31.700 -0.061 0.000 0.901 292 G N 1.786 110.562 108.800 -0.039 0.000 3.008 292 G HA2 0.349 4.308 3.960 -0.002 0.000 0.181 292 G HA3 0.349 4.308 3.960 -0.002 0.000 0.181 292 G C -0.536 174.288 174.900 -0.126 0.000 1.309 292 G CA -0.872 44.190 45.100 -0.065 0.000 1.009 292 G HN 0.551 nan 8.290 nan 0.000 0.584 293 R N 0.382 120.730 120.500 -0.253 0.000 2.570 293 R HA 0.112 4.451 4.340 -0.002 0.000 0.277 293 R C 0.106 176.299 176.300 -0.178 0.000 1.039 293 R CA 0.734 56.651 56.100 -0.307 0.000 1.065 293 R CB -0.151 29.788 30.300 -0.601 0.000 0.964 293 R HN 0.715 nan 8.270 nan 0.000 0.428 294 E N 2.495 122.648 120.200 -0.078 0.000 2.660 294 E HA -0.336 4.013 4.350 -0.002 0.000 0.260 294 E C 0.223 176.692 176.600 -0.219 0.000 1.122 294 E CA 0.514 56.901 56.400 -0.022 0.000 0.755 294 E CB -1.175 28.660 29.700 0.225 0.000 1.345 294 E HN 0.876 nan 8.360 nan 0.000 0.421 295 A N -2.260 120.448 122.820 -0.186 0.000 2.979 295 A HA -0.289 4.030 4.320 -0.002 0.000 0.260 295 A C -0.151 177.272 177.584 -0.268 0.000 1.282 295 A CA 1.722 53.620 52.037 -0.232 0.000 0.971 295 A CB -2.061 16.780 19.000 -0.264 0.000 1.124 295 A HN 0.413 nan 8.150 nan 0.000 0.826 296 Y N 0.609 120.895 120.300 -0.023 0.000 2.308 296 Y HA 0.503 5.051 4.550 -0.002 0.000 0.329 296 Y C -1.416 174.513 175.900 0.048 0.000 1.111 296 Y CA -1.735 56.400 58.100 0.058 0.000 1.179 296 Y CB 0.589 39.162 38.460 0.189 0.000 1.201 296 Y HN 0.214 nan 8.280 nan 0.000 0.483 297 P HA 0.012 nan 4.420 nan 0.000 0.272 297 P C 0.617 178.062 177.300 0.241 0.000 1.230 297 P CA 0.118 63.316 63.100 0.164 0.000 0.788 297 P CB 1.042 32.817 31.700 0.126 0.000 0.949 298 G N 1.732 110.640 108.800 0.180 0.000 2.470 298 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.220 298 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.220 298 G C 0.796 175.852 174.900 0.261 0.000 1.121 298 G CA 0.479 45.699 45.100 0.199 0.000 0.766 298 G HN 0.646 nan 8.290 nan 0.000 0.553 299 D N 0.587 121.155 120.400 0.281 0.000 2.325 299 D HA 0.037 4.676 4.640 -0.002 0.000 0.234 299 D C 1.926 178.476 176.300 0.417 0.000 1.122 299 D CA -0.165 54.033 54.000 0.331 0.000 0.850 299 D CB 0.153 41.133 40.800 0.301 0.000 0.921 299 D HN 0.158 nan 8.370 nan 0.000 0.513 300 V N -0.103 120.071 119.914 0.433 0.000 2.626 300 V HA -0.178 3.941 4.120 -0.002 0.000 0.252 300 V C 1.770 178.078 176.094 0.358 0.000 1.067 300 V CA 1.085 63.643 62.300 0.431 0.000 1.081 300 V CB -0.797 31.281 31.823 0.425 0.000 0.686 300 V HN 0.143 nan 8.190 nan 0.000 0.468 301 F N 0.156 120.214 119.950 0.181 0.000 2.113 301 F HA -0.153 4.373 4.527 -0.002 0.000 0.297 301 F C 2.104 178.020 175.800 0.194 0.000 1.103 301 F CA 2.123 60.189 58.000 0.110 0.000 1.248 301 F CB -0.712 38.337 39.000 0.082 0.000 0.999 301 F HN 0.344 nan 8.300 nan 0.000 0.475 302 Y N 0.249 120.589 120.300 0.067 0.000 2.483 302 Y HA -0.140 4.408 4.550 -0.002 0.000 0.291 302 Y C 1.981 177.864 175.900 -0.028 0.000 1.143 302 Y CA 1.050 59.128 58.100 -0.036 0.000 1.289 302 Y CB -0.594 37.909 38.460 0.071 0.000 0.983 302 Y HN 0.222 nan 8.280 nan 0.000 0.556 303 L N -0.091 121.174 121.223 0.069 0.000 1.937 303 L HA -0.221 4.118 4.340 -0.002 0.000 0.213 303 L C 2.121 178.903 176.870 -0.147 0.000 1.077 303 L CA 2.272 57.103 54.840 -0.015 0.000 0.758 303 L CB -1.293 40.782 42.059 0.027 0.000 0.888 303 L HN 0.196 nan 8.230 nan 0.000 0.433 304 H N -1.253 117.679 119.070 -0.230 0.000 2.491 304 H HA -0.042 4.513 4.556 -0.002 0.000 0.290 304 H C 2.443 177.573 175.328 -0.331 0.000 1.050 304 H CA 1.126 56.993 56.048 -0.302 0.000 1.309 304 H CB -0.451 29.160 29.762 -0.253 0.000 1.392 304 H HN 0.461 nan 8.280 nan 0.000 0.554 305 S N 0.509 116.026 115.700 -0.305 0.000 2.344 305 S HA -0.221 4.247 4.470 -0.002 0.000 0.217 305 S C 2.257 176.695 174.600 -0.272 0.000 1.033 305 S CA 1.292 59.256 58.200 -0.393 0.000 1.017 305 S CB -0.114 62.741 63.200 -0.575 0.000 0.941 305 S HN 0.449 nan 8.310 nan 0.000 0.430 306 R N -0.032 120.259 120.500 -0.348 0.000 2.211 306 R HA -0.111 4.227 4.340 -0.002 0.000 0.240 306 R C 2.216 178.454 176.300 -0.103 0.000 1.144 306 R CA 1.459 57.384 56.100 -0.292 0.000 0.992 306 R CB -0.369 29.631 30.300 -0.500 0.000 0.869 306 R HN 0.498 nan 8.270 nan 0.000 0.462 307 L N 0.351 121.506 121.223 -0.114 0.000 2.102 307 L HA -0.000 4.338 4.340 -0.002 0.000 0.202 307 L C 1.928 178.741 176.870 -0.094 0.000 1.076 307 L CA 1.376 56.128 54.840 -0.147 0.000 0.761 307 L CB -0.174 41.577 42.059 -0.513 0.000 0.921 307 L HN 0.133 nan 8.230 nan 0.000 0.444 308 L N -0.739 120.422 121.223 -0.104 0.000 2.109 308 L HA -0.084 4.255 4.340 -0.002 0.000 0.207 308 L C 2.500 179.366 176.870 -0.007 0.000 1.086 308 L CA 0.616 55.442 54.840 -0.023 0.000 0.760 308 L CB -0.738 41.302 42.059 -0.031 0.000 0.910 308 L HN 0.234 nan 8.230 nan 0.000 0.437 309 E N 0.831 121.010 120.200 -0.036 0.000 2.219 309 E HA -0.206 4.143 4.350 -0.002 0.000 0.198 309 E C 1.819 178.420 176.600 0.001 0.000 0.998 309 E CA 1.041 57.430 56.400 -0.019 0.000 0.818 309 E CB -0.222 29.459 29.700 -0.032 0.000 0.741 309 E HN 0.476 nan 8.360 nan 0.000 0.477 310 R N 0.259 120.765 120.500 0.009 0.000 2.340 310 R HA 0.171 4.510 4.340 -0.002 0.000 0.215 310 R C 0.137 176.461 176.300 0.040 0.000 1.017 310 R CA 0.177 56.292 56.100 0.025 0.000 1.111 310 R CB 0.198 30.520 30.300 0.037 0.000 1.049 310 R HN -0.091 nan 8.270 nan 0.000 0.490 311 A N 0.801 123.642 122.820 0.036 0.000 2.409 311 A HA 0.733 5.052 4.320 -0.002 0.000 0.300 311 A C -0.574 177.023 177.584 0.022 0.000 1.273 311 A CA -0.394 51.667 52.037 0.039 0.000 0.774 311 A CB 0.964 19.996 19.000 0.054 0.000 1.144 311 A HN 0.239 nan 8.150 nan 0.000 0.472 312 A N 1.835 124.664 122.820 0.016 0.000 2.524 312 A HA 0.859 5.177 4.320 -0.002 0.000 0.303 312 A C -1.125 176.456 177.584 -0.006 0.000 1.195 312 A CA -0.674 51.364 52.037 0.001 0.000 0.651 312 A CB 0.771 19.772 19.000 0.002 0.000 1.323 312 A HN 0.713 nan 8.150 nan 0.000 0.479 313 K N 0.957 121.343 120.400 -0.024 0.000 2.293 313 K HA 0.659 4.977 4.320 -0.002 0.000 0.267 313 K C -0.964 175.628 176.600 -0.014 0.000 1.010 313 K CA -0.236 56.031 56.287 -0.035 0.000 0.875 313 K CB 0.192 32.632 32.500 -0.101 0.000 1.106 313 K HN 0.561 nan 8.250 nan 0.000 0.450 314 L N 2.628 123.852 121.223 0.002 0.000 2.472 314 L HA 0.250 4.588 4.340 -0.002 0.000 0.260 314 L C 0.809 177.686 176.870 0.010 0.000 1.209 314 L CA -0.458 54.385 54.840 0.004 0.000 0.817 314 L CB 0.923 42.982 42.059 -0.000 0.000 1.106 314 L HN 0.876 nan 8.230 nan 0.000 0.479 315 S N -0.128 115.578 115.700 0.011 0.000 2.617 315 S HA 0.060 4.529 4.470 -0.002 0.000 0.259 315 S C 0.754 175.366 174.600 0.019 0.000 1.301 315 S CA -0.494 57.717 58.200 0.019 0.000 0.984 315 S CB 0.669 63.877 63.200 0.014 0.000 0.954 315 S HN 0.655 nan 8.310 nan 0.000 0.572 316 E N 0.229 120.443 120.200 0.024 0.000 2.204 316 E HA -0.126 4.223 4.350 -0.002 0.000 0.194 316 E C 1.903 178.504 176.600 0.003 0.000 0.989 316 E CA 0.838 57.250 56.400 0.019 0.000 0.824 316 E CB -0.148 29.564 29.700 0.021 0.000 0.756 316 E HN 0.720 nan 8.360 nan 0.000 0.477 317 K N 1.006 121.406 120.400 0.001 0.000 2.148 317 K HA -0.160 4.158 4.320 -0.002 0.000 0.204 317 K C 1.744 178.335 176.600 -0.015 0.000 1.050 317 K CA 1.001 57.284 56.287 -0.007 0.000 0.942 317 K CB 0.262 32.759 32.500 -0.005 0.000 0.724 317 K HN -0.039 nan 8.250 nan 0.000 0.446 318 E N -0.867 119.324 120.200 -0.015 0.000 2.107 318 E HA -0.050 4.299 4.350 -0.002 0.000 0.191 318 E C 1.313 177.888 176.600 -0.041 0.000 0.982 318 E CA 1.342 57.727 56.400 -0.025 0.000 0.809 318 E CB 0.434 30.122 29.700 -0.019 0.000 0.756 318 E HN 0.583 nan 8.360 nan 0.000 0.459 319 G N -0.614 108.165 108.800 -0.035 0.000 2.870 319 G HA2 -0.160 3.798 3.960 -0.002 0.000 0.216 319 G HA3 -0.160 3.798 3.960 -0.002 0.000 0.216 319 G C 0.294 175.168 174.900 -0.043 0.000 0.973 319 G CA 0.069 45.137 45.100 -0.054 0.000 0.807 319 G HN 0.038 nan 8.290 nan 0.000 0.573 320 S N -0.966 114.729 115.700 -0.008 0.000 3.521 320 S HA -0.131 4.338 4.470 -0.002 0.000 0.328 320 S C 1.258 175.892 174.600 0.056 0.000 1.165 320 S CA 1.401 59.621 58.200 0.034 0.000 0.941 320 S CB -1.454 61.776 63.200 0.048 0.000 0.951 320 S HN 1.961 nan 8.310 nan 0.000 0.539 321 G N 0.745 109.548 108.800 0.005 0.000 2.504 321 G HA2 0.674 4.633 3.960 -0.002 0.000 0.288 321 G HA3 0.674 4.633 3.960 -0.002 0.000 0.288 321 G C -0.137 174.834 174.900 0.118 0.000 1.182 321 G CA 0.198 45.304 45.100 0.010 0.000 0.894 321 G HN 1.027 nan 8.290 nan 0.000 0.521 322 S N -1.181 114.656 115.700 0.229 0.000 2.651 322 S HA 0.703 5.171 4.470 -0.002 0.000 0.279 322 S C -1.502 173.173 174.600 0.126 0.000 1.148 322 S CA -0.827 57.457 58.200 0.141 0.000 0.837 322 S CB 2.038 65.278 63.200 0.067 0.000 1.138 322 S HN 1.110 nan 8.310 nan 0.000 0.478 323 L N 1.563 122.828 121.223 0.070 0.000 2.529 323 L HA 0.523 4.862 4.340 -0.002 0.000 0.260 323 L C -0.703 176.191 176.870 0.039 0.000 0.997 323 L CA 0.181 55.065 54.840 0.073 0.000 0.885 323 L CB 1.322 43.427 42.059 0.076 0.000 1.185 323 L HN 0.915 nan 8.230 nan 0.000 0.442 324 T N 3.540 118.111 114.554 0.027 0.000 2.832 324 T HA 0.745 5.094 4.350 -0.002 0.000 0.296 324 T C 0.123 174.828 174.700 0.007 0.000 0.968 324 T CA 0.132 62.236 62.100 0.008 0.000 1.107 324 T CB 1.064 69.927 68.868 -0.008 0.000 0.916 324 T HN 0.745 nan 8.240 nan 0.000 0.517 325 A N 3.454 126.282 122.820 0.013 0.000 2.350 325 A HA 0.764 5.083 4.320 -0.002 0.000 0.324 325 A C -0.504 177.093 177.584 0.022 0.000 1.118 325 A CA -0.786 51.252 52.037 0.003 0.000 0.783 325 A CB 0.759 19.808 19.000 0.082 0.000 1.236 325 A HN 0.858 nan 8.150 nan 0.000 0.457 326 L N 3.971 125.191 121.223 -0.004 0.000 2.495 326 L HA 0.313 4.652 4.340 -0.002 0.000 0.248 326 L C -2.378 174.546 176.870 0.091 0.000 1.229 326 L CA -1.675 53.189 54.840 0.041 0.000 0.942 326 L CB 1.516 43.593 42.059 0.031 0.000 1.242 326 L HN 0.501 nan 8.230 nan 0.000 0.484 327 P HA 0.116 nan 4.420 nan 0.000 0.271 327 P C -0.564 176.817 177.300 0.136 0.000 1.218 327 P CA -0.065 63.179 63.100 0.239 0.000 0.780 327 P CB 2.088 33.902 31.700 0.189 0.000 0.901 328 V N 4.086 124.077 119.914 0.128 0.000 2.588 328 V HA 0.409 4.527 4.120 -0.002 0.000 0.304 328 V C 0.151 176.285 176.094 0.068 0.000 1.042 328 V CA -0.596 61.755 62.300 0.085 0.000 0.877 328 V CB 1.900 33.773 31.823 0.084 0.000 0.996 328 V HN 0.388 nan 8.190 nan 0.000 0.425 329 I N 3.382 123.982 120.570 0.049 0.000 2.498 329 I HA 0.467 4.635 4.170 -0.002 0.000 0.290 329 I C -0.106 176.033 176.117 0.036 0.000 1.032 329 I CA -0.512 60.812 61.300 0.039 0.000 1.073 329 I CB 2.034 40.048 38.000 0.024 0.000 1.251 329 I HN 0.763 nan 8.210 nan 0.000 0.426 330 E N 4.918 125.141 120.200 0.038 0.000 2.109 330 E HA 0.436 4.784 4.350 -0.002 0.000 0.278 330 E C -0.436 176.195 176.600 0.051 0.000 0.954 330 E CA -0.355 56.066 56.400 0.034 0.000 0.779 330 E CB 1.180 30.899 29.700 0.032 0.000 1.093 330 E HN 0.740 nan 8.360 nan 0.000 0.401 331 T N 1.702 116.293 114.554 0.062 0.000 2.884 331 T HA 0.380 4.729 4.350 -0.002 0.000 0.277 331 T C -0.148 174.598 174.700 0.077 0.000 0.976 331 T CA -0.995 61.157 62.100 0.086 0.000 0.956 331 T CB 1.427 70.377 68.868 0.138 0.000 1.113 331 T HN 0.325 nan 8.240 nan 0.000 0.554 332 Q N 0.144 119.994 119.800 0.083 0.000 2.327 332 Q HA 0.498 4.837 4.340 -0.002 0.000 0.270 332 Q C 0.716 176.760 176.000 0.074 0.000 1.022 332 Q CA -0.065 55.780 55.803 0.070 0.000 0.773 332 Q CB 1.240 30.017 28.738 0.064 0.000 1.251 332 Q HN 1.342 nan 8.270 nan 0.000 0.457 333 G N 1.624 110.466 108.800 0.070 0.000 2.198 333 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.260 333 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.260 333 G C 0.682 175.645 174.900 0.105 0.000 1.025 333 G CA 0.676 45.819 45.100 0.072 0.000 0.769 333 G HN 1.351 nan 8.290 nan 0.000 0.507 334 G N -0.788 108.108 108.800 0.160 0.000 2.272 334 G HA2 -0.063 3.895 3.960 -0.002 0.000 0.280 334 G HA3 -0.063 3.895 3.960 -0.002 0.000 0.280 334 G C -0.098 174.889 174.900 0.145 0.000 1.067 334 G CA 0.931 46.198 45.100 0.278 0.000 0.902 334 G HN 1.483 nan 8.290 nan 0.000 0.500 335 D N -0.268 120.201 120.400 0.116 0.000 2.473 335 D HA 0.458 5.096 4.640 -0.002 0.000 0.226 335 D C 1.519 177.844 176.300 0.041 0.000 1.089 335 D CA 0.072 54.102 54.000 0.051 0.000 0.883 335 D CB 0.871 41.703 40.800 0.054 0.000 1.029 335 D HN 0.539 nan 8.370 nan 0.000 0.517 336 V N 1.220 121.115 119.914 -0.032 0.000 3.623 336 V HA 0.088 4.207 4.120 -0.002 0.000 0.271 336 V C 1.558 177.632 176.094 -0.032 0.000 1.248 336 V CA 0.751 63.026 62.300 -0.042 0.000 1.156 336 V CB 0.150 31.875 31.823 -0.163 0.000 0.870 336 V HN 0.402 nan 8.190 nan 0.000 0.453 337 S N 0.286 115.974 115.700 -0.020 0.000 2.593 337 S HA 0.473 4.941 4.470 -0.002 0.000 0.217 337 S C 1.295 175.912 174.600 0.028 0.000 0.966 337 S CA 0.318 58.515 58.200 -0.005 0.000 0.914 337 S CB -0.544 62.652 63.200 -0.007 0.000 0.776 337 S HN 0.999 nan 8.310 nan 0.000 0.523 338 A N 0.418 123.262 122.820 0.040 0.000 2.387 338 A HA 0.311 4.629 4.320 -0.002 0.000 0.251 338 A C 0.756 178.398 177.584 0.096 0.000 1.113 338 A CA 0.116 52.201 52.037 0.079 0.000 0.794 338 A CB -0.369 18.679 19.000 0.080 0.000 1.069 338 A HN 0.559 nan 8.150 nan 0.000 0.506 339 Y N 0.095 120.390 120.300 -0.008 0.000 2.134 339 Y HA -0.110 4.440 4.550 -0.001 0.000 0.283 339 Y C 2.031 177.869 175.900 -0.103 0.000 1.108 339 Y CA 1.870 59.947 58.100 -0.038 0.000 1.096 339 Y CB -0.295 38.163 38.460 -0.003 0.000 1.005 339 Y HN 0.455 nan 8.280 nan 0.000 0.487 340 I N 1.040 121.492 120.570 -0.196 0.000 2.113 340 I HA -0.291 3.878 4.170 -0.002 0.000 0.242 340 I C -0.365 175.584 176.117 -0.279 0.000 1.057 340 I CA 2.011 63.090 61.300 -0.368 0.000 1.314 340 I CB -2.842 34.971 38.000 -0.312 0.000 1.022 340 I HN 0.236 nan 8.210 nan 0.000 0.408 341 P HA -0.157 nan 4.420 nan 0.000 0.213 341 P C 1.891 179.129 177.300 -0.103 0.000 1.170 341 P CA 2.758 65.807 63.100 -0.086 0.000 0.902 341 P CB -0.363 31.326 31.700 -0.017 0.000 0.789 342 T N -2.962 111.526 114.554 -0.109 0.000 2.759 342 T HA -0.178 4.170 4.350 -0.002 0.000 0.269 342 T C 1.701 176.327 174.700 -0.124 0.000 1.042 342 T CA 1.439 63.479 62.100 -0.100 0.000 1.140 342 T CB -1.286 67.531 68.868 -0.085 0.000 0.864 342 T HN 0.014 nan 8.240 nan 0.000 0.455 343 N N 1.351 119.915 118.700 -0.227 0.000 2.149 343 N HA -0.069 4.670 4.740 -0.002 0.000 0.188 343 N C 1.997 177.497 175.510 -0.017 0.000 1.019 343 N CA 1.410 54.378 53.050 -0.137 0.000 0.857 343 N CB -0.510 37.803 38.487 -0.291 0.000 0.997 343 N HN 0.383 nan 8.380 nan 0.000 0.426 344 V N 1.864 121.704 119.914 -0.124 0.000 2.379 344 V HA -0.093 4.025 4.120 -0.002 0.000 0.245 344 V C 2.282 178.369 176.094 -0.012 0.000 1.044 344 V CA 0.950 63.200 62.300 -0.083 0.000 1.036 344 V CB -0.370 31.390 31.823 -0.105 0.000 0.664 344 V HN 0.201 nan 8.190 nan 0.000 0.453 345 I N 1.498 122.060 120.570 -0.013 0.000 2.454 345 I HA -0.170 3.999 4.170 -0.002 0.000 0.254 345 I C 2.170 178.303 176.117 0.026 0.000 1.156 345 I CA 1.689 62.994 61.300 0.007 0.000 1.433 345 I CB -0.406 37.592 38.000 -0.003 0.000 1.082 345 I HN 0.460 nan 8.210 nan 0.000 0.432 346 S N -0.359 115.370 115.700 0.048 0.000 2.671 346 S HA 0.240 4.709 4.470 -0.002 0.000 0.220 346 S C 1.280 175.962 174.600 0.136 0.000 0.951 346 S CA -0.023 58.228 58.200 0.085 0.000 0.932 346 S CB -0.223 63.025 63.200 0.080 0.000 0.777 346 S HN 0.460 nan 8.310 nan 0.000 0.508 347 I N 0.735 121.358 120.570 0.089 0.000 4.046 347 I HA 0.080 4.249 4.170 -0.002 0.000 0.285 347 I C 1.031 177.167 176.117 0.032 0.000 1.183 347 I CA 0.290 61.623 61.300 0.055 0.000 1.337 347 I CB -0.355 37.643 38.000 -0.004 0.000 1.478 347 I HN 0.281 nan 8.210 nan 0.000 0.452 348 T N -0.685 113.887 114.554 0.029 0.000 2.802 348 T HA 0.063 4.412 4.350 -0.002 0.000 0.305 348 T C 0.202 174.920 174.700 0.030 0.000 1.053 348 T CA -0.179 61.939 62.100 0.030 0.000 1.058 348 T CB 0.708 69.597 68.868 0.034 0.000 0.988 348 T HN 0.061 nan 8.240 nan 0.000 0.539 349 D N 1.145 121.562 120.400 0.028 0.000 2.889 349 D HA 0.421 5.060 4.640 -0.002 0.000 0.243 349 D C 0.808 177.124 176.300 0.026 0.000 1.270 349 D CA 0.195 54.210 54.000 0.025 0.000 0.838 349 D CB -0.316 40.495 40.800 0.019 0.000 1.040 349 D HN 1.039 nan 8.370 nan 0.000 0.480 350 G N 0.743 109.561 108.800 0.030 0.000 2.402 350 G HA2 0.078 4.036 3.960 -0.002 0.000 0.666 350 G HA3 0.078 4.036 3.960 -0.002 0.000 0.666 350 G C -1.404 173.521 174.900 0.042 0.000 1.402 350 G CA -1.055 44.065 45.100 0.034 0.000 0.920 350 G HN 0.037 nan 8.290 nan 0.000 0.651 351 Q N -0.773 119.057 119.800 0.050 0.000 2.433 351 Q HA 0.810 5.149 4.340 -0.002 0.000 0.279 351 Q C 0.033 176.083 176.000 0.083 0.000 1.105 351 Q CA -0.693 55.151 55.803 0.068 0.000 0.815 351 Q CB 2.535 31.320 28.738 0.077 0.000 1.403 351 Q HN 0.616 nan 8.270 nan 0.000 0.435 352 I N 1.858 122.484 120.570 0.092 0.000 2.750 352 I HA 0.254 4.423 4.170 -0.002 0.000 0.279 352 I C -0.872 175.312 176.117 0.112 0.000 1.206 352 I CA -0.604 60.751 61.300 0.091 0.000 1.101 352 I CB 0.330 38.361 38.000 0.051 0.000 1.431 352 I HN 0.506 nan 8.210 nan 0.000 0.551 353 F N 5.735 125.694 119.950 0.015 0.000 2.602 353 F HA 0.227 4.753 4.527 -0.002 0.000 0.367 353 F C -0.256 175.553 175.800 0.014 0.000 1.126 353 F CA 0.417 58.425 58.000 0.012 0.000 1.321 353 F CB 0.544 39.552 39.000 0.014 0.000 1.094 353 F HN 0.199 nan 8.300 nan 0.000 0.594 354 L N 6.187 126.849 121.223 -0.935 0.000 2.433 354 L HA 0.259 4.598 4.340 -0.002 0.000 0.256 354 L C -0.234 176.110 176.870 -0.876 0.000 1.063 354 L CA -0.522 53.929 54.840 -0.648 0.000 0.922 354 L CB 1.030 42.858 42.059 -0.385 0.000 1.238 354 L HN 0.642 nan 8.230 nan 0.000 0.466 355 E N 1.256 121.093 120.200 -0.606 0.000 2.413 355 E HA 0.141 4.489 4.350 -0.002 0.000 0.263 355 E C 0.911 177.486 176.600 -0.042 0.000 1.015 355 E CA 0.405 56.707 56.400 -0.164 0.000 0.916 355 E CB 1.582 31.441 29.700 0.264 0.000 0.947 355 E HN 0.660 nan 8.360 nan 0.000 0.440 356 A N 4.758 127.590 122.820 0.021 0.000 1.929 356 A HA -0.159 4.159 4.320 -0.002 0.000 0.216 356 A C 1.743 179.448 177.584 0.201 0.000 1.176 356 A CA 1.398 53.493 52.037 0.098 0.000 0.628 356 A CB -0.353 18.688 19.000 0.068 0.000 0.816 356 A HN 0.865 nan 8.150 nan 0.000 0.444 357 E N 0.136 120.432 120.200 0.159 0.000 2.049 357 E HA -0.212 4.137 4.350 -0.002 0.000 0.198 357 E C 1.851 178.561 176.600 0.183 0.000 1.007 357 E CA 1.484 57.983 56.400 0.165 0.000 0.809 357 E CB -0.409 29.366 29.700 0.125 0.000 0.749 357 E HN 0.629 nan 8.360 nan 0.000 0.450 358 L N 0.045 121.364 121.223 0.160 0.000 2.191 358 L HA -0.151 4.188 4.340 -0.002 0.000 0.212 358 L C 2.366 179.331 176.870 0.157 0.000 1.103 358 L CA 0.563 55.484 54.840 0.135 0.000 0.769 358 L CB -0.311 41.822 42.059 0.123 0.000 0.908 358 L HN 0.120 nan 8.230 nan 0.000 0.438 359 F N -0.678 119.305 119.950 0.054 0.000 2.325 359 F HA -0.218 4.308 4.527 -0.002 0.000 0.299 359 F C 2.291 178.149 175.800 0.096 0.000 1.090 359 F CA 1.019 59.049 58.000 0.049 0.000 1.392 359 F CB -0.138 38.881 39.000 0.031 0.000 1.053 359 F HN -0.002 nan 8.300 nan 0.000 0.521 360 Y N 0.959 121.249 120.300 -0.018 0.000 2.448 360 Y HA 0.112 4.661 4.550 -0.002 0.000 0.289 360 Y C 1.825 177.666 175.900 -0.098 0.000 1.114 360 Y CA 1.145 59.190 58.100 -0.093 0.000 1.235 360 Y CB -0.370 38.097 38.460 0.012 0.000 1.045 360 Y HN -0.086 nan 8.280 nan 0.000 0.554 361 K N -0.186 120.156 120.400 -0.097 0.000 2.555 361 K HA 0.141 4.459 4.320 -0.002 0.000 0.193 361 K C 1.444 177.934 176.600 -0.182 0.000 1.032 361 K CA 0.715 56.913 56.287 -0.148 0.000 1.004 361 K CB -0.228 32.257 32.500 -0.026 0.000 0.804 361 K HN 0.535 nan 8.250 nan 0.000 0.496 362 G N 1.703 110.362 108.800 -0.235 0.000 2.284 362 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.230 362 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.230 362 G C 0.359 175.178 174.900 -0.134 0.000 1.021 362 G CA -0.206 44.766 45.100 -0.214 0.000 0.619 362 G HN 0.282 nan 8.290 nan 0.000 0.510 363 I N 2.737 123.266 120.570 -0.069 0.000 2.933 363 I HA 0.100 4.269 4.170 -0.002 0.000 0.301 363 I C 0.817 176.951 176.117 0.027 0.000 1.163 363 I CA 0.736 62.033 61.300 -0.006 0.000 1.629 363 I CB -0.394 37.624 38.000 0.031 0.000 1.530 363 I HN 0.165 nan 8.210 nan 0.000 0.755 364 R N 6.201 126.710 120.500 0.015 0.000 2.561 364 R HA 0.475 4.814 4.340 -0.002 0.000 0.297 364 R C -2.654 173.678 176.300 0.053 0.000 0.969 364 R CA -1.979 54.163 56.100 0.070 0.000 0.879 364 R CB 1.481 31.804 30.300 0.038 0.000 1.178 364 R HN 0.099 nan 8.270 nan 0.000 0.445 365 P HA 0.013 nan 4.420 nan 0.000 0.268 365 P C -0.331 177.029 177.300 0.101 0.000 1.205 365 P CA -0.064 63.090 63.100 0.091 0.000 0.771 365 P CB 0.787 32.512 31.700 0.042 0.000 0.858 366 A N 4.332 127.238 122.820 0.144 0.000 2.810 366 A HA 0.112 4.430 4.320 -0.002 0.000 0.247 366 A C 0.590 178.205 177.584 0.051 0.000 1.576 366 A CA -0.196 51.914 52.037 0.123 0.000 1.294 366 A CB -1.530 17.584 19.000 0.189 0.000 0.976 366 A HN 0.494 nan 8.150 nan 0.000 0.631 367 I N 0.886 121.489 120.570 0.054 0.000 2.587 367 I HA -0.056 4.113 4.170 -0.002 0.000 0.284 367 I C 0.555 176.732 176.117 0.100 0.000 1.134 367 I CA -0.057 61.278 61.300 0.059 0.000 1.410 367 I CB 0.165 38.199 38.000 0.057 0.000 1.392 367 I HN 0.384 nan 8.210 nan 0.000 0.545 368 N N 6.326 125.118 118.700 0.154 0.000 2.521 368 N HA 0.141 4.880 4.740 -0.002 0.000 0.236 368 N C 0.772 176.374 175.510 0.154 0.000 1.067 368 N CA -0.272 52.897 53.050 0.199 0.000 0.939 368 N CB 1.030 39.739 38.487 0.370 0.000 1.201 368 N HN 0.420 nan 8.380 nan 0.000 0.511 369 V N 2.857 122.839 119.914 0.113 0.000 2.546 369 V HA -0.191 3.928 4.120 -0.002 0.000 0.254 369 V C 2.279 178.418 176.094 0.075 0.000 1.076 369 V CA 2.121 64.474 62.300 0.089 0.000 1.087 369 V CB -1.150 30.722 31.823 0.081 0.000 0.674 369 V HN 0.787 nan 8.190 nan 0.000 0.470 370 G N -0.241 108.601 108.800 0.070 0.000 2.440 370 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.218 370 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.218 370 G C 1.482 176.392 174.900 0.017 0.000 1.154 370 G CA 0.942 46.062 45.100 0.035 0.000 0.767 370 G HN 0.518 nan 8.290 nan 0.000 0.552 371 L N 0.519 121.761 121.223 0.030 0.000 2.609 371 L HA 0.213 4.551 4.340 -0.002 0.000 0.230 371 L C 0.914 177.819 176.870 0.058 0.000 1.087 371 L CA -0.248 54.591 54.840 -0.002 0.000 0.874 371 L CB 0.215 42.205 42.059 -0.114 0.000 1.114 371 L HN 0.002 nan 8.230 nan 0.000 0.488 372 S N 0.412 116.170 115.700 0.098 0.000 2.563 372 S HA 0.270 4.739 4.470 -0.002 0.000 0.284 372 S C -0.208 174.428 174.600 0.061 0.000 1.331 372 S CA -0.022 58.233 58.200 0.092 0.000 1.047 372 S CB 1.780 65.035 63.200 0.092 0.000 0.859 372 S HN 0.087 nan 8.310 nan 0.000 0.514 373 V N 1.678 121.624 119.914 0.054 0.000 3.147 373 V HA 0.750 4.868 4.120 -0.002 0.000 0.299 373 V C -1.302 174.815 176.094 0.038 0.000 1.302 373 V CA -0.451 61.874 62.300 0.041 0.000 1.015 373 V CB 2.523 34.365 31.823 0.032 0.000 1.086 373 V HN 0.778 nan 8.190 nan 0.000 0.437 374 S N 4.219 119.939 115.700 0.032 0.000 2.775 374 S HA 0.520 4.989 4.470 -0.002 0.000 0.277 374 S C 0.474 175.088 174.600 0.024 0.000 1.156 374 S CA -0.630 57.587 58.200 0.028 0.000 1.081 374 S CB 1.315 64.532 63.200 0.028 0.000 1.054 374 S HN 0.813 nan 8.310 nan 0.000 0.482 375 R N 1.983 122.496 120.500 0.022 0.000 2.236 375 R HA 0.073 4.411 4.340 -0.002 0.000 0.208 375 R C 0.587 176.897 176.300 0.017 0.000 1.036 375 R CA 1.085 57.197 56.100 0.020 0.000 1.001 375 R CB 0.064 30.376 30.300 0.020 0.000 0.896 375 R HN 0.510 nan 8.270 nan 0.000 0.464 376 V N -3.841 116.082 119.914 0.015 0.000 2.570 376 V HA 0.472 4.591 4.120 -0.002 0.000 0.271 376 V C 0.359 176.458 176.094 0.009 0.000 1.005 376 V CA -0.429 61.877 62.300 0.011 0.000 1.111 376 V CB 0.778 32.604 31.823 0.005 0.000 1.259 376 V HN 0.132 nan 8.190 nan 0.000 0.571 377 G N 1.105 109.914 108.800 0.014 0.000 2.641 377 G HA2 0.011 3.970 3.960 -0.002 0.000 0.211 377 G HA3 0.011 3.970 3.960 -0.002 0.000 0.211 377 G C 1.307 176.217 174.900 0.016 0.000 1.190 377 G CA 1.120 46.229 45.100 0.015 0.000 0.842 377 G HN 0.504 nan 8.290 nan 0.000 0.585 378 S N 1.438 117.150 115.700 0.019 0.000 2.387 378 S HA -0.141 4.328 4.470 -0.002 0.000 0.230 378 S C 2.679 177.291 174.600 0.019 0.000 1.035 378 S CA 1.411 59.623 58.200 0.019 0.000 1.014 378 S CB -0.384 62.828 63.200 0.020 0.000 0.836 378 S HN 0.580 nan 8.310 nan 0.000 0.466 379 A N 0.657 123.489 122.820 0.021 0.000 1.972 379 A HA 0.237 4.555 4.320 -0.002 0.000 0.219 379 A C 1.720 179.325 177.584 0.035 0.000 1.169 379 A CA 1.521 53.575 52.037 0.028 0.000 0.635 379 A CB -0.390 18.628 19.000 0.030 0.000 0.810 379 A HN 0.536 nan 8.150 nan 0.000 0.446 380 A N -1.160 121.671 122.820 0.018 0.000 2.676 380 A HA 0.489 4.807 4.320 -0.002 0.000 0.297 380 A C 0.197 177.781 177.584 -0.000 0.000 1.132 380 A CA -0.195 51.846 52.037 0.007 0.000 0.972 380 A CB -0.095 18.892 19.000 -0.022 0.000 1.197 380 A HN 0.514 nan 8.150 nan 0.000 0.524 381 Q N 0.310 120.116 119.800 0.009 0.000 2.348 381 Q HA 0.574 4.913 4.340 -0.002 0.000 0.271 381 Q C -1.024 174.983 176.000 0.010 0.000 1.067 381 Q CA -0.625 55.184 55.803 0.011 0.000 0.839 381 Q CB 2.146 30.895 28.738 0.018 0.000 1.354 381 Q HN 0.170 nan 8.270 nan 0.000 0.447 382 V N 4.339 124.260 119.914 0.013 0.000 2.599 382 V HA -0.068 4.051 4.120 -0.002 0.000 0.300 382 V C 1.095 177.198 176.094 0.014 0.000 1.034 382 V CA 0.523 62.830 62.300 0.012 0.000 1.115 382 V CB 0.630 32.465 31.823 0.021 0.000 0.934 382 V HN 0.875 nan 8.190 nan 0.000 0.485 383 K N 3.629 124.034 120.400 0.008 0.000 2.211 383 K HA -0.162 4.157 4.320 -0.002 0.000 0.204 383 K C 2.096 178.703 176.600 0.011 0.000 1.047 383 K CA 1.364 57.656 56.287 0.008 0.000 0.935 383 K CB -0.187 32.314 32.500 0.001 0.000 0.728 383 K HN 0.838 nan 8.250 nan 0.000 0.452 384 A N 1.041 123.868 122.820 0.011 0.000 2.019 384 A HA -0.100 4.219 4.320 -0.002 0.000 0.219 384 A C 1.971 179.571 177.584 0.026 0.000 1.164 384 A CA 1.173 53.217 52.037 0.012 0.000 0.644 384 A CB -0.322 18.685 19.000 0.012 0.000 0.805 384 A HN 0.174 nan 8.150 nan 0.000 0.449 385 L N -1.319 119.924 121.223 0.033 0.000 2.298 385 L HA 0.019 4.357 4.340 -0.002 0.000 0.209 385 L C 2.429 179.324 176.870 0.041 0.000 1.084 385 L CA 1.099 55.965 54.840 0.044 0.000 0.816 385 L CB -0.233 41.852 42.059 0.044 0.000 0.967 385 L HN 0.414 nan 8.230 nan 0.000 0.460 386 K N 0.358 120.777 120.400 0.031 0.000 2.147 386 K HA -0.192 4.127 4.320 -0.002 0.000 0.205 386 K C 1.964 178.583 176.600 0.031 0.000 1.049 386 K CA 1.346 57.650 56.287 0.028 0.000 0.936 386 K CB 0.142 32.654 32.500 0.021 0.000 0.722 386 K HN 0.366 nan 8.250 nan 0.000 0.446 387 Q N 0.158 119.978 119.800 0.033 0.000 2.033 387 Q HA -0.101 4.238 4.340 -0.002 0.000 0.196 387 Q C 2.214 178.254 176.000 0.068 0.000 0.970 387 Q CA 1.658 57.484 55.803 0.039 0.000 0.828 387 Q CB -0.033 28.721 28.738 0.027 0.000 0.895 387 Q HN 0.334 nan 8.270 nan 0.000 0.440 388 V N -1.476 118.491 119.914 0.088 0.000 2.515 388 V HA 0.048 4.167 4.120 -0.002 0.000 0.250 388 V C 0.986 177.141 176.094 0.103 0.000 1.058 388 V CA 1.125 63.519 62.300 0.157 0.000 1.064 388 V CB -0.762 31.171 31.823 0.184 0.000 0.675 388 V HN 0.197 nan 8.190 nan 0.000 0.461 389 A N 0.870 123.729 122.820 0.066 0.000 2.540 389 A HA 0.772 5.090 4.320 -0.002 0.000 0.340 389 A C 0.342 177.942 177.584 0.028 0.000 1.424 389 A CA 0.312 52.374 52.037 0.041 0.000 0.940 389 A CB -0.260 18.767 19.000 0.045 0.000 1.149 389 A HN 0.754 nan 8.150 nan 0.000 0.505 390 G N 0.214 109.020 108.800 0.010 0.000 2.478 390 G HA2 0.485 4.443 3.960 -0.002 0.000 0.317 390 G HA3 0.485 4.443 3.960 -0.002 0.000 0.317 390 G C 0.371 175.267 174.900 -0.006 0.000 1.259 390 G CA 0.057 45.160 45.100 0.004 0.000 0.933 390 G HN 1.179 nan 8.290 nan 0.000 0.478 391 S N 0.224 115.934 115.700 0.015 0.000 3.521 391 S HA -0.209 4.260 4.470 -0.002 0.000 0.328 391 S C 1.433 176.071 174.600 0.063 0.000 1.165 391 S CA 0.788 59.008 58.200 0.033 0.000 0.941 391 S CB -1.145 62.064 63.200 0.015 0.000 0.951 391 S HN 0.844 nan 8.310 nan 0.000 0.539 392 L N 1.361 122.618 121.223 0.058 0.000 2.179 392 L HA 0.174 4.513 4.340 -0.002 0.000 0.208 392 L C 2.031 178.983 176.870 0.137 0.000 1.096 392 L CA 2.310 57.206 54.840 0.094 0.000 0.779 392 L CB -0.437 41.656 42.059 0.056 0.000 0.922 392 L HN 0.383 nan 8.230 nan 0.000 0.443 393 K N -0.536 119.923 120.400 0.098 0.000 2.001 393 K HA -0.124 4.195 4.320 -0.002 0.000 0.208 393 K C 2.063 178.722 176.600 0.097 0.000 1.048 393 K CA 1.695 58.034 56.287 0.087 0.000 0.932 393 K CB -0.214 32.324 32.500 0.064 0.000 0.715 393 K HN 0.378 nan 8.250 nan 0.000 0.437 394 L N 0.316 121.600 121.223 0.102 0.000 2.083 394 L HA -0.170 4.169 4.340 -0.002 0.000 0.209 394 L C 2.465 179.420 176.870 0.142 0.000 1.083 394 L CA 0.966 55.865 54.840 0.099 0.000 0.752 394 L CB -0.540 41.572 42.059 0.088 0.000 0.899 394 L HN 0.196 nan 8.230 nan 0.000 0.433 395 F N 1.012 120.976 119.950 0.023 0.000 2.102 395 F HA -0.212 4.314 4.527 -0.002 0.000 0.298 395 F C 2.198 178.039 175.800 0.068 0.000 1.105 395 F CA 1.529 59.546 58.000 0.029 0.000 1.239 395 F CB -0.299 38.699 39.000 -0.004 0.000 0.991 395 F HN -0.134 nan 8.300 nan 0.000 0.474 396 L N -0.213 121.031 121.223 0.034 0.000 2.083 396 L HA -0.190 4.149 4.340 -0.002 0.000 0.209 396 L C 2.785 179.674 176.870 0.031 0.000 1.083 396 L CA 1.078 55.913 54.840 -0.009 0.000 0.752 396 L CB -1.337 40.757 42.059 0.058 0.000 0.899 396 L HN 0.238 nan 8.230 nan 0.000 0.433 397 A N -0.077 122.760 122.820 0.028 0.000 1.883 397 A HA -0.300 4.019 4.320 -0.002 0.000 0.217 397 A C 2.240 179.812 177.584 -0.021 0.000 1.186 397 A CA 2.106 54.152 52.037 0.014 0.000 0.624 397 A CB -0.542 18.471 19.000 0.021 0.000 0.822 397 A HN 0.413 nan 8.150 nan 0.000 0.444 398 Q N -2.009 117.766 119.800 -0.042 0.000 2.378 398 Q HA -0.097 4.241 4.340 -0.002 0.000 0.205 398 Q C 1.605 177.534 176.000 -0.119 0.000 0.954 398 Q CA 1.380 57.141 55.803 -0.071 0.000 0.901 398 Q CB -0.545 28.168 28.738 -0.041 0.000 0.981 398 Q HN 0.729 nan 8.270 nan 0.000 0.483 399 Y N 0.476 120.587 120.300 -0.315 0.000 2.114 399 Y HA -0.146 4.403 4.550 -0.002 0.000 0.284 399 Y C 2.161 177.956 175.900 -0.176 0.000 1.143 399 Y CA 2.101 59.993 58.100 -0.347 0.000 1.135 399 Y CB -0.226 37.975 38.460 -0.433 0.000 0.980 399 Y HN 0.086 nan 8.280 nan 0.000 0.499 400 R N 0.144 120.470 120.500 -0.290 0.000 2.152 400 R HA -0.139 4.199 4.340 -0.002 0.000 0.232 400 R C 1.817 177.976 176.300 -0.235 0.000 1.117 400 R CA 1.473 57.379 56.100 -0.324 0.000 0.981 400 R CB -0.012 30.214 30.300 -0.124 0.000 0.870 400 R HN 0.397 nan 8.270 nan 0.000 0.451 401 E N -0.053 120.047 120.200 -0.167 0.000 2.107 401 E HA -0.122 4.226 4.350 -0.002 0.000 0.191 401 E C 2.010 178.557 176.600 -0.089 0.000 0.982 401 E CA 1.468 57.800 56.400 -0.114 0.000 0.809 401 E CB -0.100 29.536 29.700 -0.106 0.000 0.756 401 E HN 0.394 nan 8.360 nan 0.000 0.459 402 V N -1.587 118.256 119.914 -0.118 0.000 2.878 402 V HA 0.249 4.367 4.120 -0.002 0.000 0.250 402 V C 2.209 178.264 176.094 -0.066 0.000 1.075 402 V CA 1.070 63.354 62.300 -0.027 0.000 1.096 402 V CB -0.316 31.491 31.823 -0.027 0.000 0.724 402 V HN 0.101 nan 8.190 nan 0.000 0.467 403 A N 1.062 123.710 122.820 -0.286 0.000 1.872 403 A HA 0.289 4.608 4.320 -0.002 0.000 0.214 403 A C 2.337 179.766 177.584 -0.259 0.000 1.187 403 A CA 1.726 53.542 52.037 -0.369 0.000 0.614 403 A CB -0.937 17.578 19.000 -0.809 0.000 0.826 403 A HN 0.948 nan 8.150 nan 0.000 0.442 404 A N -2.331 120.352 122.820 -0.229 0.000 2.206 404 A HA 0.222 4.541 4.320 -0.002 0.000 0.211 404 A C 1.598 179.043 177.584 -0.231 0.000 1.158 404 A CA 0.948 52.852 52.037 -0.220 0.000 0.761 404 A CB -0.548 18.363 19.000 -0.149 0.000 0.801 404 A HN 0.590 nan 8.150 nan 0.000 0.473 405 F N -0.818 118.980 119.950 -0.253 0.000 2.731 405 F HA 0.457 4.982 4.527 -0.002 0.000 0.298 405 F C 1.810 177.565 175.800 -0.075 0.000 1.106 405 F CA 0.464 58.396 58.000 -0.113 0.000 1.329 405 F CB 0.327 39.327 39.000 0.000 0.000 1.100 405 F HN 0.164 nan 8.300 nan 0.000 0.592 406 A N 0.002 122.715 122.820 -0.178 0.000 2.431 406 A HA 0.114 4.433 4.320 -0.002 0.000 0.239 406 A C 1.718 179.174 177.584 -0.213 0.000 1.230 406 A CA 0.216 52.159 52.037 -0.157 0.000 0.928 406 A CB -0.646 18.326 19.000 -0.046 0.000 1.006 406 A HN 0.529 nan 8.150 nan 0.000 0.520 407 Q N -1.069 118.497 119.800 -0.391 0.000 2.482 407 Q HA 0.029 4.368 4.340 -0.002 0.000 0.209 407 Q C 0.541 176.345 176.000 -0.326 0.000 0.961 407 Q CA 0.620 56.217 55.803 -0.343 0.000 0.945 407 Q CB -0.516 27.999 28.738 -0.371 0.000 1.012 407 Q HN 0.462 nan 8.270 nan 0.000 0.515 408 F N 0.899 120.776 119.950 -0.122 0.000 2.367 408 F HA 0.232 4.758 4.527 -0.002 0.000 0.298 408 F C 1.850 177.595 175.800 -0.091 0.000 1.094 408 F CA 1.071 59.001 58.000 -0.117 0.000 1.409 408 F CB 0.049 38.945 39.000 -0.173 0.000 1.064 408 F HN 0.342 nan 8.300 nan 0.000 0.528 409 G N -0.645 108.190 108.800 0.058 0.000 2.231 409 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.206 409 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.206 409 G C 0.451 175.359 174.900 0.014 0.000 0.996 409 G CA -0.007 45.106 45.100 0.023 0.000 0.645 409 G HN 0.528 nan 8.290 nan 0.000 0.498 410 S N 1.501 117.213 115.700 0.020 0.000 2.566 410 S HA 0.424 4.893 4.470 -0.002 0.000 0.280 410 S C 0.195 174.791 174.600 -0.006 0.000 1.343 410 S CA 0.378 58.574 58.200 -0.007 0.000 1.036 410 S CB 1.064 64.243 63.200 -0.035 0.000 0.866 410 S HN 0.792 nan 8.310 nan 0.000 0.526 411 D N 1.682 122.080 120.400 -0.003 0.000 2.304 411 D HA 0.384 5.023 4.640 -0.002 0.000 0.250 411 D C -0.032 176.277 176.300 0.015 0.000 1.107 411 D CA -0.490 53.513 54.000 0.005 0.000 0.885 411 D CB 0.666 41.469 40.800 0.005 0.000 1.192 411 D HN 0.496 nan 8.370 nan 0.000 0.436 412 L N 0.498 121.735 121.223 0.024 0.000 2.260 412 L HA 0.298 4.637 4.340 -0.002 0.000 0.265 412 L C 0.851 177.744 176.870 0.037 0.000 1.015 412 L CA -1.196 53.669 54.840 0.041 0.000 0.826 412 L CB 1.486 43.578 42.059 0.056 0.000 1.373 412 L HN 0.522 nan 8.230 nan 0.000 0.450 413 D N 0.039 120.466 120.400 0.045 0.000 2.447 413 D HA 0.126 4.765 4.640 -0.002 0.000 0.265 413 D C 0.626 176.947 176.300 0.036 0.000 1.250 413 D CA -0.172 53.850 54.000 0.037 0.000 1.046 413 D CB 1.198 42.021 40.800 0.038 0.000 1.095 413 D HN 0.528 nan 8.370 nan 0.000 0.555 414 A N -0.144 122.694 122.820 0.030 0.000 1.968 414 A HA -0.114 4.205 4.320 -0.002 0.000 0.217 414 A C 2.266 179.872 177.584 0.035 0.000 1.169 414 A CA 1.706 53.760 52.037 0.028 0.000 0.638 414 A CB -0.756 18.255 19.000 0.019 0.000 0.812 414 A HN 0.536 nan 8.150 nan 0.000 0.446 415 S N -0.086 115.637 115.700 0.038 0.000 2.348 415 S HA -0.182 4.286 4.470 -0.002 0.000 0.221 415 S C 2.288 176.927 174.600 0.064 0.000 1.033 415 S CA 2.668 60.896 58.200 0.046 0.000 1.010 415 S CB -0.687 62.538 63.200 0.042 0.000 0.891 415 S HN 0.807 nan 8.310 nan 0.000 0.442 416 T N -0.500 114.093 114.554 0.066 0.000 2.857 416 T HA 0.013 4.362 4.350 -0.002 0.000 0.266 416 T C 1.867 176.614 174.700 0.078 0.000 1.048 416 T CA 1.422 63.568 62.100 0.077 0.000 1.139 416 T CB -0.433 68.486 68.868 0.085 0.000 0.874 416 T HN 0.468 nan 8.240 nan 0.000 0.455 417 K N 0.700 121.139 120.400 0.064 0.000 2.057 417 K HA -0.176 4.142 4.320 -0.002 0.000 0.206 417 K C 2.617 179.255 176.600 0.064 0.000 1.050 417 K CA 1.482 57.803 56.287 0.057 0.000 0.935 417 K CB -0.203 32.321 32.500 0.039 0.000 0.715 417 K HN 0.344 nan 8.250 nan 0.000 0.439 418 Q N 0.550 120.386 119.800 0.060 0.000 2.084 418 Q HA -0.134 4.205 4.340 -0.002 0.000 0.202 418 Q C 1.764 177.824 176.000 0.100 0.000 0.978 418 Q CA 2.617 58.455 55.803 0.057 0.000 0.844 418 Q CB -0.448 28.314 28.738 0.040 0.000 0.898 418 Q HN 0.513 nan 8.270 nan 0.000 0.426 419 T N -1.705 112.937 114.554 0.146 0.000 2.995 419 T HA -0.083 4.266 4.350 -0.002 0.000 0.269 419 T C 1.602 176.439 174.700 0.230 0.000 1.091 419 T CA 0.926 63.181 62.100 0.258 0.000 1.128 419 T CB -0.233 68.796 68.868 0.269 0.000 0.891 419 T HN 0.252 nan 8.240 nan 0.000 0.492 420 L N 1.162 122.489 121.223 0.173 0.000 2.240 420 L HA 0.236 4.574 4.340 -0.002 0.000 0.211 420 L C 2.404 179.380 176.870 0.176 0.000 1.106 420 L CA 1.008 55.973 54.840 0.209 0.000 0.793 420 L CB -0.407 41.724 42.059 0.119 0.000 0.927 420 L HN 0.149 nan 8.230 nan 0.000 0.446 421 V N -0.330 119.645 119.914 0.101 0.000 2.407 421 V HA -0.159 3.959 4.120 -0.002 0.000 0.245 421 V C 2.678 178.783 176.094 0.019 0.000 1.041 421 V CA 1.820 64.150 62.300 0.050 0.000 1.040 421 V CB -0.709 31.128 31.823 0.022 0.000 0.671 421 V HN 0.471 nan 8.190 nan 0.000 0.455 422 R N 0.452 120.976 120.500 0.041 0.000 2.115 422 R HA -0.070 4.269 4.340 -0.002 0.000 0.226 422 R C 2.284 178.571 176.300 -0.022 0.000 1.100 422 R CA 1.379 57.488 56.100 0.016 0.000 0.980 422 R CB -0.552 29.774 30.300 0.044 0.000 0.875 422 R HN 0.521 nan 8.270 nan 0.000 0.445 423 G N 0.681 109.409 108.800 -0.120 0.000 2.418 423 G HA2 -0.256 3.702 3.960 -0.002 0.000 0.217 423 G HA3 -0.256 3.702 3.960 -0.002 0.000 0.217 423 G C 1.056 175.511 174.900 -0.741 0.000 1.158 423 G CA 0.737 45.355 45.100 -0.803 0.000 0.771 423 G HN 0.423 nan 8.290 nan 0.000 0.545 424 E N 0.185 120.223 120.200 -0.271 0.000 2.077 424 E HA -0.117 4.232 4.350 -0.002 0.000 0.193 424 E C 2.799 179.346 176.600 -0.088 0.000 0.989 424 E CA 0.611 56.975 56.400 -0.061 0.000 0.800 424 E CB -0.045 29.685 29.700 0.051 0.000 0.746 424 E HN 0.149 nan 8.360 nan 0.000 0.452 425 R N 0.618 121.059 120.500 -0.099 0.000 2.096 425 R HA -0.084 4.255 4.340 -0.002 0.000 0.235 425 R C 2.424 178.666 176.300 -0.096 0.000 1.127 425 R CA 0.898 56.940 56.100 -0.095 0.000 0.968 425 R CB -0.795 29.439 30.300 -0.110 0.000 0.861 425 R HN 0.278 nan 8.270 nan 0.000 0.440 426 L N 0.149 121.302 121.223 -0.117 0.000 2.056 426 L HA -0.103 4.235 4.340 -0.002 0.000 0.207 426 L C 2.342 179.168 176.870 -0.073 0.000 1.078 426 L CA 1.443 56.230 54.840 -0.088 0.000 0.749 426 L CB -0.858 41.156 42.059 -0.075 0.000 0.901 426 L HN 0.146 nan 8.230 nan 0.000 0.433 427 T N -0.836 113.652 114.554 -0.109 0.000 2.665 427 T HA -0.213 4.135 4.350 -0.002 0.000 0.268 427 T C 1.909 176.604 174.700 -0.009 0.000 1.035 427 T CA 1.220 63.295 62.100 -0.041 0.000 1.151 427 T CB -0.157 68.709 68.868 -0.003 0.000 0.862 427 T HN 0.291 nan 8.240 nan 0.000 0.438 428 Q N 0.315 120.103 119.800 -0.019 0.000 2.230 428 Q HA 0.096 4.434 4.340 -0.002 0.000 0.202 428 Q C 2.312 178.312 176.000 -0.001 0.000 0.963 428 Q CA 0.653 56.451 55.803 -0.008 0.000 0.866 428 Q CB -0.581 28.148 28.738 -0.015 0.000 0.931 428 Q HN 0.386 nan 8.270 nan 0.000 0.452 429 L N 0.233 121.450 121.223 -0.010 0.000 2.217 429 L HA -0.034 4.304 4.340 -0.002 0.000 0.211 429 L C 1.893 178.776 176.870 0.021 0.000 1.107 429 L CA 1.127 55.971 54.840 0.005 0.000 0.783 429 L CB -0.354 41.698 42.059 -0.011 0.000 0.919 429 L HN 0.102 nan 8.230 nan 0.000 0.442 430 L N -0.741 120.492 121.223 0.017 0.000 2.201 430 L HA -0.105 4.234 4.340 -0.002 0.000 0.212 430 L C 1.106 177.995 176.870 0.031 0.000 1.105 430 L CA 0.396 55.252 54.840 0.027 0.000 0.775 430 L CB -0.610 41.466 42.059 0.029 0.000 0.913 430 L HN 0.125 nan 8.230 nan 0.000 0.440 431 K N 1.290 121.706 120.400 0.026 0.000 2.469 431 K HA 0.110 4.428 4.320 -0.002 0.000 0.274 431 K C -0.055 176.561 176.600 0.027 0.000 0.983 431 K CA 0.467 56.768 56.287 0.024 0.000 0.974 431 K CB 0.488 32.996 32.500 0.014 0.000 0.913 431 K HN 0.040 nan 8.250 nan 0.000 0.493 432 Q N 1.959 121.772 119.800 0.022 0.000 2.403 432 Q HA 0.130 4.468 4.340 -0.002 0.000 0.267 432 Q C -1.374 174.633 176.000 0.012 0.000 0.991 432 Q CA -0.726 55.090 55.803 0.022 0.000 0.906 432 Q CB 1.370 30.122 28.738 0.023 0.000 1.422 432 Q HN 0.551 nan 8.270 nan 0.000 0.400 433 N N 2.257 120.966 118.700 0.014 0.000 2.444 433 N HA 0.031 4.770 4.740 -0.002 0.000 0.255 433 N C -0.485 175.019 175.510 -0.010 0.000 1.255 433 N CA 0.002 53.058 53.050 0.011 0.000 0.933 433 N CB 0.788 39.291 38.487 0.028 0.000 1.143 433 N HN 0.599 nan 8.380 nan 0.000 0.453 434 Q N 0.149 119.926 119.800 -0.038 0.000 2.368 434 Q HA -0.005 4.334 4.340 -0.002 0.000 0.237 434 Q C -0.525 175.425 176.000 -0.083 0.000 0.987 434 Q CA -0.203 55.497 55.803 -0.172 0.000 0.896 434 Q CB 0.283 28.823 28.738 -0.330 0.000 1.241 434 Q HN 0.555 nan 8.270 nan 0.000 0.485 435 Y N -0.279 120.004 120.300 -0.029 0.000 4.409 435 Y HA -0.239 4.309 4.550 -0.002 0.000 0.228 435 Y C -0.274 175.585 175.900 -0.068 0.000 1.108 435 Y CA 1.017 59.071 58.100 -0.077 0.000 1.955 435 Y CB -2.017 36.411 38.460 -0.054 0.000 1.615 435 Y HN 0.384 nan 8.280 nan 0.000 0.665 436 S N 0.955 116.684 115.700 0.049 0.000 2.062 436 S HA 0.281 4.750 4.470 -0.002 0.000 0.163 436 S C -2.352 172.251 174.600 0.005 0.000 1.612 436 S CA -0.909 57.309 58.200 0.029 0.000 1.251 436 S CB 1.164 64.385 63.200 0.035 0.000 1.174 436 S HN 0.068 nan 8.310 nan 0.000 0.428 437 P HA 0.266 nan 4.420 nan 0.000 0.276 437 P C -0.835 176.455 177.300 -0.017 0.000 1.230 437 P CA -0.258 62.830 63.100 -0.019 0.000 0.776 437 P CB 0.846 32.521 31.700 -0.042 0.000 0.888 438 L N 2.189 123.412 121.223 -0.001 0.000 2.329 438 L HA 0.584 4.922 4.340 -0.002 0.000 0.279 438 L C 0.811 177.688 176.870 0.011 0.000 1.014 438 L CA -1.229 53.615 54.840 0.007 0.000 0.814 438 L CB 1.805 43.882 42.059 0.029 0.000 1.257 438 L HN 0.369 nan 8.230 nan 0.000 0.424 439 A N 1.724 124.544 122.820 0.001 0.000 2.483 439 A HA 0.199 4.517 4.320 -0.002 0.000 0.238 439 A C 1.267 178.882 177.584 0.052 0.000 1.070 439 A CA 0.017 52.065 52.037 0.018 0.000 0.770 439 A CB 0.245 19.245 19.000 -0.000 0.000 1.008 439 A HN 0.887 nan 8.150 nan 0.000 0.497 440 T N 0.911 115.514 114.554 0.082 0.000 2.699 440 T HA -0.217 4.131 4.350 -0.002 0.000 0.268 440 T C 1.700 176.439 174.700 0.064 0.000 1.036 440 T CA 2.137 64.285 62.100 0.080 0.000 1.147 440 T CB -0.408 68.515 68.868 0.093 0.000 0.862 440 T HN 0.928 nan 8.240 nan 0.000 0.446 441 E N 1.601 121.834 120.200 0.055 0.000 2.160 441 E HA -0.228 4.121 4.350 -0.002 0.000 0.195 441 E C 1.793 178.419 176.600 0.043 0.000 0.991 441 E CA 1.440 57.864 56.400 0.040 0.000 0.810 441 E CB -0.351 29.365 29.700 0.025 0.000 0.742 441 E HN 0.602 nan 8.360 nan 0.000 0.466 442 E N 0.549 120.777 120.200 0.046 0.000 2.230 442 E HA -0.086 4.263 4.350 -0.002 0.000 0.192 442 E C 2.148 178.806 176.600 0.096 0.000 0.987 442 E CA 0.633 57.068 56.400 0.058 0.000 0.841 442 E CB 0.074 29.798 29.700 0.040 0.000 0.783 442 E HN 0.412 nan 8.360 nan 0.000 0.481 443 Q N 0.437 120.289 119.800 0.086 0.000 2.096 443 Q HA -0.067 4.272 4.340 -0.002 0.000 0.197 443 Q C 2.414 178.481 176.000 0.112 0.000 0.964 443 Q CA 0.916 56.777 55.803 0.096 0.000 0.838 443 Q CB 0.057 28.841 28.738 0.077 0.000 0.906 443 Q HN 0.101 nan 8.270 nan 0.000 0.444 444 V N 1.898 121.871 119.914 0.099 0.000 2.278 444 V HA -0.246 3.873 4.120 -0.002 0.000 0.251 444 V C -0.758 175.427 176.094 0.152 0.000 1.062 444 V CA 2.251 64.611 62.300 0.100 0.000 1.038 444 V CB -1.693 30.168 31.823 0.063 0.000 0.646 444 V HN 0.265 nan 8.190 nan 0.000 0.447 445 P HA -0.140 nan 4.420 nan 0.000 0.215 445 P C 1.944 179.441 177.300 0.328 0.000 1.153 445 P CA 1.476 64.771 63.100 0.325 0.000 0.853 445 P CB -0.097 31.864 31.700 0.436 0.000 0.788 446 L N -1.420 119.957 121.223 0.257 0.000 2.046 446 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 446 L C 2.478 179.412 176.870 0.106 0.000 1.077 446 L CA 1.435 56.373 54.840 0.164 0.000 0.747 446 L CB -0.936 41.216 42.059 0.155 0.000 0.896 446 L HN -0.071 nan 8.230 nan 0.000 0.432 447 I N -1.312 119.331 120.570 0.122 0.000 2.226 447 I HA -0.342 3.826 4.170 -0.002 0.000 0.245 447 I C 2.634 178.814 176.117 0.104 0.000 1.100 447 I CA 1.399 62.753 61.300 0.090 0.000 1.374 447 I CB -0.495 37.560 38.000 0.092 0.000 1.057 447 I HN 0.171 nan 8.210 nan 0.000 0.413 448 Y N 2.082 122.404 120.300 0.037 0.000 2.081 448 Y HA -0.369 4.180 4.550 -0.002 0.000 0.280 448 Y C 2.573 178.491 175.900 0.030 0.000 1.163 448 Y CA 1.601 59.725 58.100 0.040 0.000 1.135 448 Y CB -0.593 37.915 38.460 0.080 0.000 0.970 448 Y HN 0.133 nan 8.280 nan 0.000 0.498 449 A N -0.017 122.808 122.820 0.007 0.000 1.933 449 A HA -0.108 4.210 4.320 -0.002 0.000 0.218 449 A C 2.530 180.009 177.584 -0.174 0.000 1.175 449 A CA 1.786 53.782 52.037 -0.067 0.000 0.628 449 A CB -1.719 17.237 19.000 -0.074 0.000 0.814 449 A HN 0.622 nan 8.150 nan 0.000 0.444 450 G N -0.447 108.273 108.800 -0.134 0.000 2.446 450 G HA2 -0.146 3.812 3.960 -0.002 0.000 0.217 450 G HA3 -0.146 3.812 3.960 -0.002 0.000 0.217 450 G C 1.514 176.296 174.900 -0.197 0.000 1.168 450 G CA 1.403 46.415 45.100 -0.147 0.000 0.771 450 G HN 0.348 nan 8.290 nan 0.000 0.551 451 V N 1.663 121.454 119.914 -0.204 0.000 2.358 451 V HA -0.186 3.933 4.120 -0.002 0.000 0.246 451 V C 2.634 178.531 176.094 -0.329 0.000 1.047 451 V CA 1.793 63.942 62.300 -0.251 0.000 1.035 451 V CB -0.529 31.179 31.823 -0.193 0.000 0.658 451 V HN 0.323 nan 8.190 nan 0.000 0.452 452 N N 0.521 118.963 118.700 -0.430 0.000 2.166 452 N HA -0.089 4.650 4.740 -0.002 0.000 0.186 452 N C 1.703 176.876 175.510 -0.562 0.000 1.019 452 N CA 1.797 54.508 53.050 -0.564 0.000 0.856 452 N CB -0.152 37.816 38.487 -0.865 0.000 0.993 452 N HN 0.640 nan 8.380 nan 0.000 0.426 453 G N -0.548 107.950 108.800 -0.503 0.000 2.192 453 G HA2 -0.202 3.756 3.960 -0.002 0.000 0.193 453 G HA3 -0.202 3.756 3.960 -0.002 0.000 0.193 453 G C 0.587 175.301 174.900 -0.309 0.000 0.999 453 G CA 0.188 45.075 45.100 -0.354 0.000 0.659 453 G HN 0.383 nan 8.290 nan 0.000 0.503 454 H N 0.503 119.459 119.070 -0.190 0.000 2.460 454 H HA 0.026 4.580 4.556 -0.002 0.000 0.297 454 H C 2.683 177.871 175.328 -0.233 0.000 1.103 454 H CA 1.436 57.377 56.048 -0.178 0.000 1.292 454 H CB -0.097 29.569 29.762 -0.160 0.000 1.376 454 H HN 0.485 nan 8.280 nan 0.000 0.531 455 L N 0.289 121.404 121.223 -0.180 0.000 2.179 455 L HA -0.100 4.239 4.340 -0.002 0.000 0.208 455 L C 2.085 178.834 176.870 -0.202 0.000 1.096 455 L CA 0.493 55.166 54.840 -0.278 0.000 0.779 455 L CB -0.210 41.681 42.059 -0.280 0.000 0.922 455 L HN 0.030 nan 8.230 nan 0.000 0.443 456 D N 0.882 121.189 120.400 -0.155 0.000 2.133 456 D HA -0.202 4.437 4.640 -0.002 0.000 0.192 456 D C 2.143 178.385 176.300 -0.095 0.000 1.001 456 D CA 1.800 55.733 54.000 -0.113 0.000 0.844 456 D CB -0.458 40.282 40.800 -0.100 0.000 0.944 456 D HN 0.357 nan 8.370 nan 0.000 0.447 457 G N 0.630 109.375 108.800 -0.092 0.000 2.432 457 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.219 457 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.219 457 G C 0.938 175.787 174.900 -0.084 0.000 1.135 457 G CA 0.059 45.116 45.100 -0.072 0.000 0.767 457 G HN 0.268 nan 8.290 nan 0.000 0.550 458 I N 1.324 121.816 120.570 -0.131 0.000 2.752 458 I HA 0.053 4.222 4.170 -0.002 0.000 0.287 458 I C 0.370 176.426 176.117 -0.101 0.000 1.188 458 I CA -0.234 60.978 61.300 -0.145 0.000 1.427 458 I CB 0.597 38.420 38.000 -0.296 0.000 1.365 458 I HN 0.214 nan 8.210 nan 0.000 0.585 459 E N 3.541 123.703 120.200 -0.063 0.000 2.418 459 E HA -0.057 4.292 4.350 -0.002 0.000 0.261 459 E C 0.655 177.229 176.600 -0.044 0.000 1.070 459 E CA -0.440 55.936 56.400 -0.041 0.000 0.931 459 E CB 0.789 30.478 29.700 -0.019 0.000 0.954 459 E HN 0.433 nan 8.360 nan 0.000 0.439 460 L N 2.509 123.713 121.223 -0.032 0.000 2.156 460 L HA -0.137 4.202 4.340 -0.002 0.000 0.208 460 L C 2.003 178.864 176.870 -0.015 0.000 1.095 460 L CA 1.909 56.731 54.840 -0.029 0.000 0.770 460 L CB -0.346 41.702 42.059 -0.020 0.000 0.914 460 L HN 0.598 nan 8.230 nan 0.000 0.439 461 S N -1.789 113.907 115.700 -0.006 0.000 2.603 461 S HA 0.025 4.494 4.470 -0.002 0.000 0.220 461 S C 1.716 176.328 174.600 0.021 0.000 0.967 461 S CA 0.034 58.236 58.200 0.004 0.000 0.920 461 S CB -0.336 62.866 63.200 0.002 0.000 0.773 461 S HN 0.503 nan 8.310 nan 0.000 0.529 462 R N 0.061 120.576 120.500 0.026 0.000 2.397 462 R HA 0.393 4.731 4.340 -0.002 0.000 0.241 462 R C 0.962 177.325 176.300 0.105 0.000 0.914 462 R CA -0.189 55.951 56.100 0.068 0.000 1.071 462 R CB 0.047 30.391 30.300 0.072 0.000 1.116 462 R HN 0.342 nan 8.270 nan 0.000 0.524 463 I N 0.266 120.863 120.570 0.045 0.000 2.315 463 I HA -0.104 4.065 4.170 -0.002 0.000 0.248 463 I C 2.246 178.434 176.117 0.118 0.000 1.117 463 I CA 1.514 62.836 61.300 0.036 0.000 1.404 463 I CB -1.198 36.788 38.000 -0.022 0.000 1.071 463 I HN 0.217 nan 8.210 nan 0.000 0.419 464 G N 1.742 110.598 108.800 0.094 0.000 2.414 464 G HA2 -0.236 3.722 3.960 -0.002 0.000 0.215 464 G HA3 -0.236 3.722 3.960 -0.002 0.000 0.215 464 G C 1.469 176.448 174.900 0.131 0.000 1.188 464 G CA 0.787 45.945 45.100 0.097 0.000 0.783 464 G HN 0.607 nan 8.290 nan 0.000 0.537 465 E N -0.580 119.697 120.200 0.129 0.000 2.153 465 E HA -0.138 4.210 4.350 -0.002 0.000 0.194 465 E C 2.142 178.848 176.600 0.178 0.000 0.988 465 E CA 0.802 57.277 56.400 0.126 0.000 0.811 465 E CB -0.487 29.272 29.700 0.099 0.000 0.746 465 E HN 0.391 nan 8.360 nan 0.000 0.466 466 F N 2.292 122.297 119.950 0.091 0.000 2.171 466 F HA -0.129 4.397 4.527 -0.002 0.000 0.300 466 F C 2.338 178.257 175.800 0.199 0.000 1.090 466 F CA 1.948 60.035 58.000 0.145 0.000 1.293 466 F CB -0.023 39.029 39.000 0.087 0.000 1.013 466 F HN 0.037 nan 8.300 nan 0.000 0.486 467 E N -0.127 120.308 120.200 0.390 0.000 2.051 467 E HA -0.225 4.123 4.350 -0.002 0.000 0.192 467 E C 2.227 178.951 176.600 0.208 0.000 0.991 467 E CA 1.695 58.285 56.400 0.316 0.000 0.799 467 E CB -0.236 29.596 29.700 0.221 0.000 0.748 467 E HN 0.486 nan 8.360 nan 0.000 0.449 468 S N -0.434 115.349 115.700 0.138 0.000 2.428 468 S HA -0.034 4.435 4.470 -0.002 0.000 0.230 468 S C 2.068 176.697 174.600 0.049 0.000 1.014 468 S CA 1.128 59.377 58.200 0.081 0.000 0.957 468 S CB 0.096 63.334 63.200 0.064 0.000 0.784 468 S HN 0.103 nan 8.310 nan 0.000 0.499 469 S N 0.728 116.456 115.700 0.046 0.000 2.458 469 S HA 0.250 4.719 4.470 -0.002 0.000 0.223 469 S C 1.196 175.755 174.600 -0.069 0.000 1.019 469 S CA 0.283 58.490 58.200 0.012 0.000 0.937 469 S CB -0.421 62.801 63.200 0.037 0.000 0.788 469 S HN 0.578 nan 8.310 nan 0.000 0.511 470 F N 2.716 122.507 119.950 -0.265 0.000 2.206 470 F HA 0.121 4.647 4.527 -0.002 0.000 0.298 470 F C 1.607 177.280 175.800 -0.211 0.000 1.090 470 F CA 0.913 58.666 58.000 -0.413 0.000 1.323 470 F CB -0.376 38.509 39.000 -0.192 0.000 1.028 470 F HN 0.069 nan 8.300 nan 0.000 0.492 471 L N -0.738 120.399 121.223 -0.143 0.000 2.056 471 L HA -0.204 4.135 4.340 -0.002 0.000 0.207 471 L C 2.451 179.193 176.870 -0.214 0.000 1.078 471 L CA 1.409 56.138 54.840 -0.186 0.000 0.749 471 L CB -1.061 40.978 42.059 -0.033 0.000 0.901 471 L HN 0.021 nan 8.230 nan 0.000 0.433 472 S N -1.117 114.492 115.700 -0.152 0.000 2.399 472 S HA -0.208 4.260 4.470 -0.002 0.000 0.231 472 S C 1.852 176.347 174.600 -0.174 0.000 1.022 472 S CA 0.978 59.101 58.200 -0.128 0.000 0.983 472 S CB -0.388 62.773 63.200 -0.066 0.000 0.803 472 S HN 0.384 nan 8.310 nan 0.000 0.480 473 Y N 2.212 122.263 120.300 -0.414 0.000 2.242 473 Y HA -0.025 4.524 4.550 -0.002 0.000 0.291 473 Y C 1.775 177.426 175.900 -0.414 0.000 1.137 473 Y CA 1.091 58.906 58.100 -0.475 0.000 1.181 473 Y CB -0.308 37.635 38.460 -0.862 0.000 0.989 473 Y HN 0.154 nan 8.280 nan 0.000 0.527 474 L N -0.281 120.682 121.223 -0.434 0.000 2.044 474 L HA -0.190 4.148 4.340 -0.002 0.000 0.205 474 L C 2.338 179.041 176.870 -0.279 0.000 1.075 474 L CA 1.523 56.150 54.840 -0.355 0.000 0.747 474 L CB -0.528 41.331 42.059 -0.333 0.000 0.903 474 L HN 0.069 nan 8.230 nan 0.000 0.435 475 K N -0.165 120.094 120.400 -0.234 0.000 2.057 475 K HA -0.110 4.208 4.320 -0.002 0.000 0.207 475 K C 2.209 178.693 176.600 -0.193 0.000 1.049 475 K CA 1.639 57.821 56.287 -0.175 0.000 0.931 475 K CB -0.197 32.222 32.500 -0.134 0.000 0.714 475 K HN 0.135 nan 8.250 nan 0.000 0.440 476 S N 0.452 116.012 115.700 -0.235 0.000 2.436 476 S HA 0.016 4.485 4.470 -0.002 0.000 0.228 476 S C 1.222 175.632 174.600 -0.316 0.000 1.014 476 S CA 0.760 58.821 58.200 -0.232 0.000 0.950 476 S CB -0.027 63.051 63.200 -0.203 0.000 0.784 476 S HN 0.289 nan 8.310 nan 0.000 0.504 477 N N 0.269 118.688 118.700 -0.469 0.000 2.871 477 N HA 0.086 4.825 4.740 -0.002 0.000 0.204 477 N C -0.118 175.086 175.510 -0.510 0.000 1.233 477 N CA 0.144 52.827 53.050 -0.611 0.000 1.124 477 N CB -0.492 37.366 38.487 -1.049 0.000 1.414 477 N HN 0.231 nan 8.380 nan 0.000 0.511 478 H N 2.063 120.940 119.070 -0.322 0.000 3.319 478 H HA 0.086 4.641 4.556 -0.002 0.000 0.213 478 H C 0.561 175.785 175.328 -0.173 0.000 1.782 478 H CA 0.068 55.994 56.048 -0.204 0.000 1.339 478 H CB -0.727 28.935 29.762 -0.168 0.000 1.651 478 H HN 0.380 nan 8.280 nan 0.000 0.622 479 N N 1.478 120.120 118.700 -0.096 0.000 2.244 479 N HA -0.138 4.601 4.740 -0.002 0.000 0.183 479 N C 1.486 176.968 175.510 -0.047 0.000 1.016 479 N CA 0.875 53.875 53.050 -0.084 0.000 0.866 479 N CB 0.310 38.740 38.487 -0.096 0.000 0.980 479 N HN 0.467 nan 8.380 nan 0.000 0.430 480 E N -0.017 120.166 120.200 -0.028 0.000 2.118 480 E HA -0.180 4.168 4.350 -0.002 0.000 0.195 480 E C 1.843 178.433 176.600 -0.018 0.000 0.992 480 E CA 1.018 57.407 56.400 -0.018 0.000 0.804 480 E CB -0.169 29.527 29.700 -0.006 0.000 0.741 480 E HN 0.458 nan 8.360 nan 0.000 0.458 481 L N 0.534 121.749 121.223 -0.014 0.000 2.083 481 L HA -0.189 4.150 4.340 -0.002 0.000 0.209 481 L C 2.430 179.282 176.870 -0.029 0.000 1.083 481 L CA 0.850 55.673 54.840 -0.029 0.000 0.752 481 L CB -0.452 41.583 42.059 -0.040 0.000 0.899 481 L HN 0.170 nan 8.230 nan 0.000 0.433 482 L N -0.383 120.821 121.223 -0.032 0.000 2.056 482 L HA -0.166 4.172 4.340 -0.002 0.000 0.207 482 L C 2.862 179.721 176.870 -0.019 0.000 1.078 482 L CA 1.834 56.657 54.840 -0.029 0.000 0.749 482 L CB -1.148 40.884 42.059 -0.044 0.000 0.901 482 L HN 0.439 nan 8.230 nan 0.000 0.433 483 T N -3.587 110.954 114.554 -0.021 0.000 2.915 483 T HA -0.103 4.246 4.350 -0.002 0.000 0.269 483 T C 1.677 176.371 174.700 -0.009 0.000 1.071 483 T CA 0.759 62.850 62.100 -0.014 0.000 1.132 483 T CB -0.126 68.731 68.868 -0.018 0.000 0.878 483 T HN 0.235 nan 8.240 nan 0.000 0.479 484 E N 1.387 121.579 120.200 -0.013 0.000 2.076 484 E HA 0.103 4.452 4.350 -0.002 0.000 0.190 484 E C 2.293 178.887 176.600 -0.009 0.000 0.979 484 E CA 0.802 57.194 56.400 -0.013 0.000 0.807 484 E CB -0.292 29.396 29.700 -0.019 0.000 0.761 484 E HN 0.594 nan 8.360 nan 0.000 0.454 485 I N 0.923 121.488 120.570 -0.010 0.000 2.493 485 I HA -0.193 3.975 4.170 -0.002 0.000 0.254 485 I C 2.730 178.853 176.117 0.011 0.000 1.160 485 I CA 0.645 61.943 61.300 -0.003 0.000 1.445 485 I CB -0.246 37.752 38.000 -0.003 0.000 1.086 485 I HN 0.014 nan 8.210 nan 0.000 0.433 486 R N 1.534 122.042 120.500 0.014 0.000 2.075 486 R HA -0.182 4.156 4.340 -0.002 0.000 0.230 486 R C 2.124 178.443 176.300 0.031 0.000 1.140 486 R CA 1.899 58.017 56.100 0.030 0.000 0.928 486 R CB -0.085 30.230 30.300 0.025 0.000 0.834 486 R HN 0.355 nan 8.270 nan 0.000 0.429 487 E N 0.150 120.362 120.200 0.019 0.000 2.005 487 E HA -0.144 4.204 4.350 -0.002 0.000 0.191 487 E C 2.163 178.767 176.600 0.007 0.000 0.987 487 E CA 0.955 57.364 56.400 0.015 0.000 0.814 487 E CB -0.018 29.687 29.700 0.008 0.000 0.772 487 E HN 0.171 nan 8.360 nan 0.000 0.453 488 K N -0.344 120.057 120.400 0.001 0.000 2.001 488 K HA -0.152 4.167 4.320 -0.002 0.000 0.214 488 K C 1.723 178.321 176.600 -0.004 0.000 1.050 488 K CA 1.393 57.677 56.287 -0.005 0.000 0.934 488 K CB -0.756 31.739 32.500 -0.009 0.000 0.718 488 K HN 0.459 nan 8.250 nan 0.000 0.443 489 G N 1.636 110.437 108.800 0.001 0.000 2.148 489 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.254 489 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.254 489 G C -0.079 174.820 174.900 -0.001 0.000 0.981 489 G CA 0.687 45.789 45.100 0.004 0.000 0.670 489 G HN 0.422 nan 8.290 nan 0.000 0.528 490 E N -0.750 119.446 120.200 -0.007 0.000 2.366 490 E HA 0.578 4.926 4.350 -0.002 0.000 0.278 490 E C -0.473 176.116 176.600 -0.018 0.000 0.923 490 E CA -1.051 55.343 56.400 -0.010 0.000 0.761 490 E CB 1.121 30.815 29.700 -0.011 0.000 1.231 490 E HN 0.161 nan 8.360 nan 0.000 0.443 491 L N 3.815 125.025 121.223 -0.023 0.000 2.259 491 L HA 0.298 4.637 4.340 -0.002 0.000 0.288 491 L C 0.536 177.387 176.870 -0.031 0.000 1.051 491 L CA -0.579 54.238 54.840 -0.038 0.000 0.824 491 L CB 0.925 42.949 42.059 -0.060 0.000 1.206 491 L HN 0.556 nan 8.230 nan 0.000 0.429 492 S N 2.316 117.998 115.700 -0.030 0.000 2.617 492 S HA 0.140 4.609 4.470 -0.002 0.000 0.255 492 S C 0.937 175.523 174.600 -0.023 0.000 1.318 492 S CA -0.528 57.658 58.200 -0.022 0.000 0.978 492 S CB 0.938 64.126 63.200 -0.020 0.000 0.961 492 S HN 0.591 nan 8.310 nan 0.000 0.582 493 K N 0.000 120.391 120.400 -0.015 0.000 2.288 493 K HA -0.051 4.268 4.320 -0.002 0.000 0.201 493 K C 1.922 178.514 176.600 -0.013 0.000 1.048 493 K CA 1.207 57.488 56.287 -0.010 0.000 0.956 493 K CB -0.122 32.376 32.500 -0.004 0.000 0.746 493 K HN 0.680 nan 8.250 nan 0.000 0.461 494 E N 1.316 121.506 120.200 -0.017 0.000 2.075 494 E HA -0.006 4.343 4.350 -0.002 0.000 0.190 494 E C 1.698 178.279 176.600 -0.031 0.000 0.969 494 E CA 0.681 57.070 56.400 -0.018 0.000 0.815 494 E CB -0.051 29.640 29.700 -0.015 0.000 0.776 494 E HN 0.123 nan 8.360 nan 0.000 0.457 495 L N 0.521 121.719 121.223 -0.040 0.000 2.191 495 L HA -0.103 4.236 4.340 -0.002 0.000 0.212 495 L C 2.333 179.150 176.870 -0.088 0.000 1.103 495 L CA 0.401 55.205 54.840 -0.060 0.000 0.769 495 L CB -0.465 41.560 42.059 -0.057 0.000 0.908 495 L HN 0.243 nan 8.230 nan 0.000 0.438 496 L N 0.355 121.530 121.223 -0.081 0.000 2.083 496 L HA -0.139 4.200 4.340 -0.002 0.000 0.209 496 L C 2.585 179.411 176.870 -0.072 0.000 1.083 496 L CA 2.017 56.793 54.840 -0.107 0.000 0.752 496 L CB -0.634 41.392 42.059 -0.054 0.000 0.899 496 L HN 0.143 nan 8.230 nan 0.000 0.433 497 A N -1.803 120.998 122.820 -0.031 0.000 1.898 497 A HA -0.099 4.220 4.320 -0.002 0.000 0.214 497 A C 2.332 179.903 177.584 -0.021 0.000 1.183 497 A CA 1.514 53.550 52.037 -0.003 0.000 0.622 497 A CB -0.790 18.212 19.000 0.004 0.000 0.824 497 A HN 0.476 nan 8.150 nan 0.000 0.444 498 S N -0.381 115.288 115.700 -0.051 0.000 2.419 498 S HA -0.121 4.348 4.470 -0.002 0.000 0.233 498 S C 1.791 176.312 174.600 -0.132 0.000 1.016 498 S CA 1.394 59.543 58.200 -0.085 0.000 0.974 498 S CB -0.305 62.844 63.200 -0.085 0.000 0.786 498 S HN 0.468 nan 8.310 nan 0.000 0.492 499 L N 2.039 123.190 121.223 -0.119 0.000 2.068 499 L HA 0.109 4.447 4.340 -0.002 0.000 0.204 499 L C 2.148 179.022 176.870 0.007 0.000 1.076 499 L CA 1.768 56.535 54.840 -0.121 0.000 0.753 499 L CB -0.599 41.314 42.059 -0.244 0.000 0.910 499 L HN 0.110 nan 8.230 nan 0.000 0.439 500 K N -0.896 119.545 120.400 0.068 0.000 2.032 500 K HA -0.155 4.163 4.320 -0.002 0.000 0.209 500 K C 1.963 178.640 176.600 0.128 0.000 1.048 500 K CA 1.817 58.250 56.287 0.244 0.000 0.927 500 K CB -0.182 32.474 32.500 0.260 0.000 0.712 500 K HN 0.355 nan 8.250 nan 0.000 0.441 501 S N 0.206 115.944 115.700 0.063 0.000 2.442 501 S HA -0.076 4.393 4.470 -0.002 0.000 0.236 501 S C 1.746 176.381 174.600 0.058 0.000 1.007 501 S CA 0.967 59.197 58.200 0.049 0.000 0.965 501 S CB -0.017 63.201 63.200 0.029 0.000 0.773 501 S HN 0.514 nan 8.310 nan 0.000 0.504 502 A N 1.337 124.167 122.820 0.017 0.000 2.030 502 A HA 0.020 4.339 4.320 -0.002 0.000 0.215 502 A C 2.330 180.080 177.584 0.278 0.000 1.164 502 A CA 1.412 53.480 52.037 0.052 0.000 0.697 502 A CB -0.750 18.042 19.000 -0.348 0.000 0.827 502 A HN 0.586 nan 8.150 nan 0.000 0.457 503 T N -2.382 112.316 114.554 0.239 0.000 2.901 503 T HA -0.006 4.342 4.350 -0.002 0.000 0.252 503 T C 1.583 176.320 174.700 0.061 0.000 1.035 503 T CA 1.087 63.354 62.100 0.278 0.000 1.142 503 T CB -0.399 68.596 68.868 0.211 0.000 0.869 503 T HN 0.494 nan 8.240 nan 0.000 0.442 504 E N 1.920 122.062 120.200 -0.096 0.000 2.097 504 E HA -0.158 4.191 4.350 -0.002 0.000 0.196 504 E C 2.574 179.177 176.600 0.004 0.000 1.000 504 E CA 1.669 57.980 56.400 -0.148 0.000 0.804 504 E CB -0.267 29.395 29.700 -0.063 0.000 0.740 504 E HN 0.780 nan 8.360 nan 0.000 0.454 505 S N 0.256 116.012 115.700 0.093 0.000 2.423 505 S HA -0.149 4.320 4.470 -0.002 0.000 0.231 505 S C 1.796 176.472 174.600 0.126 0.000 1.014 505 S CA 0.608 58.883 58.200 0.127 0.000 0.965 505 S CB -0.263 63.056 63.200 0.198 0.000 0.785 505 S HN 0.284 nan 8.310 nan 0.000 0.495 506 F N 2.357 122.282 119.950 -0.042 0.000 2.270 506 F HA 0.228 4.753 4.527 -0.002 0.000 0.295 506 F C 2.077 177.853 175.800 -0.040 0.000 1.087 506 F CA 0.299 58.192 58.000 -0.177 0.000 1.365 506 F CB -0.294 38.538 39.000 -0.279 0.000 1.056 506 F HN 0.043 nan 8.300 nan 0.000 0.506 507 V N 0.617 120.529 119.914 -0.004 0.000 2.407 507 V HA -0.290 3.828 4.120 -0.002 0.000 0.248 507 V C 2.740 178.775 176.094 -0.098 0.000 1.055 507 V CA 1.729 64.002 62.300 -0.044 0.000 1.049 507 V CB -1.704 30.103 31.823 -0.027 0.000 0.662 507 V HN 0.419 nan 8.190 nan 0.000 0.455 508 A N 0.446 123.221 122.820 -0.074 0.000 1.902 508 A HA -0.102 4.217 4.320 -0.002 0.000 0.217 508 A C 1.782 179.310 177.584 -0.093 0.000 1.181 508 A CA 1.840 53.842 52.037 -0.058 0.000 0.623 508 A CB -0.773 18.215 19.000 -0.020 0.000 0.818 508 A HN 0.646 nan 8.150 nan 0.000 0.443 509 T N 0.000 114.465 114.554 -0.148 0.000 3.816 509 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 509 T CA 0.000 62.000 62.100 -0.167 0.000 1.349 509 T CB 0.000 68.782 68.868 -0.144 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658