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 3kfe_1_E DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXETASEMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE 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 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.483 175.510 -0.045 0.000 1.280 11 N CA 0.000 53.031 53.050 -0.031 0.000 0.885 11 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 12 M N 0.269 119.832 119.600 -0.062 0.000 1.778 12 M HA 0.236 4.716 4.480 0.000 0.000 0.200 12 M C -0.553 175.702 176.300 -0.076 0.000 1.294 12 M CA 0.346 55.612 55.300 -0.056 0.000 0.913 12 M CB 0.917 33.486 32.600 -0.051 0.000 1.645 12 M HN 0.046 nan 8.290 nan 0.000 0.598 13 K N 1.336 121.657 120.400 -0.132 0.000 2.471 13 K HA 0.596 4.917 4.320 0.000 0.000 0.252 13 K C -1.069 175.311 176.600 -0.367 0.000 0.938 13 K CA -0.451 55.702 56.287 -0.224 0.000 0.796 13 K CB 3.195 35.544 32.500 -0.251 0.000 1.161 13 K HN 0.028 nan 8.250 nan 0.000 0.425 14 R N 2.623 122.898 120.500 -0.374 0.000 2.604 14 R HA 0.378 4.718 4.340 0.000 0.000 0.281 14 R C -1.667 174.477 176.300 -0.259 0.000 1.020 14 R CA -0.601 55.284 56.100 -0.358 0.000 0.899 14 R CB 0.987 31.201 30.300 -0.144 0.000 1.205 14 R HN 0.419 nan 8.270 nan 0.000 0.450 15 Y N 3.583 123.876 120.300 -0.011 0.000 2.352 15 Y HA 0.465 5.015 4.550 0.000 0.000 0.339 15 Y C 0.074 175.972 175.900 -0.004 0.000 0.992 15 Y CA -1.240 56.857 58.100 -0.006 0.000 1.100 15 Y CB 1.872 40.330 38.460 -0.003 0.000 1.192 15 Y HN 0.308 nan 8.280 nan 0.000 0.458 16 M N 2.209 121.906 119.600 0.162 0.000 2.238 16 M HA 0.394 4.875 4.480 0.000 0.000 0.350 16 M C 1.089 177.422 176.300 0.056 0.000 1.138 16 M CA -0.101 55.246 55.300 0.079 0.000 1.040 16 M CB 1.041 33.673 32.600 0.054 0.000 1.639 16 M HN 0.923 nan 8.290 nan 0.000 0.451 17 G N 4.189 113.010 108.800 0.034 0.000 2.690 17 G HA2 -0.396 3.564 3.960 0.000 0.000 0.334 17 G HA3 -0.396 3.564 3.960 0.000 0.000 0.334 17 G C 0.986 175.888 174.900 0.004 0.000 1.250 17 G CA 1.027 46.133 45.100 0.009 0.000 0.994 17 G HN 0.727 nan 8.290 nan 0.000 0.549 18 R N 0.682 121.177 120.500 -0.007 0.000 2.193 18 R HA 0.065 4.405 4.340 0.000 0.000 0.229 18 R C 2.121 178.415 176.300 -0.011 0.000 1.110 18 R CA 1.456 57.547 56.100 -0.014 0.000 0.988 18 R CB -0.265 30.023 30.300 -0.019 0.000 0.871 18 R HN 0.497 nan 8.270 nan 0.000 0.458 19 D N 0.096 120.495 120.400 -0.002 0.000 2.137 19 D HA 0.004 4.644 4.640 0.000 0.000 0.202 19 D C 1.789 178.088 176.300 -0.001 0.000 0.970 19 D CA 1.372 55.359 54.000 -0.022 0.000 0.837 19 D CB -0.108 40.681 40.800 -0.019 0.000 0.981 19 D HN 0.215 nan 8.370 nan 0.000 0.475 20 A N 0.412 123.272 122.820 0.067 0.000 1.930 20 A HA -0.173 4.147 4.320 0.000 0.000 0.217 20 A C 2.107 179.736 177.584 0.076 0.000 1.175 20 A CA 1.254 53.363 52.037 0.120 0.000 0.627 20 A CB -0.462 18.615 19.000 0.128 0.000 0.815 20 A HN 0.176 nan 8.150 nan 0.000 0.443 21 Q N -1.029 118.793 119.800 0.036 0.000 2.016 21 Q HA -0.146 4.194 4.340 0.000 0.000 0.200 21 Q C 2.362 178.368 176.000 0.011 0.000 0.978 21 Q CA 1.663 57.477 55.803 0.019 0.000 0.833 21 Q CB -0.159 28.577 28.738 -0.004 0.000 0.895 21 Q HN 0.669 nan 8.270 nan 0.000 0.427 22 R N -0.034 120.464 120.500 -0.003 0.000 2.120 22 R HA -0.181 4.159 4.340 0.000 0.000 0.234 22 R C 2.071 178.364 176.300 -0.011 0.000 1.123 22 R CA 1.370 57.461 56.100 -0.015 0.000 0.975 22 R CB -0.088 30.194 30.300 -0.030 0.000 0.866 22 R HN 0.176 nan 8.270 nan 0.000 0.446 23 M N 0.924 120.526 119.600 0.002 0.000 2.065 23 M HA -0.149 4.331 4.480 0.000 0.000 0.259 23 M C 1.434 177.784 176.300 0.083 0.000 1.069 23 M CA 1.823 57.154 55.300 0.051 0.000 1.110 23 M CB -0.279 32.370 32.600 0.082 0.000 1.328 23 M HN 0.181 nan 8.290 nan 0.000 0.405 24 N N -0.101 118.646 118.700 0.078 0.000 2.135 24 N HA -0.025 4.715 4.740 0.000 0.000 0.186 24 N C 1.861 177.350 175.510 -0.034 0.000 1.027 24 N CA 1.589 54.657 53.050 0.030 0.000 0.849 24 N CB -0.462 38.064 38.487 0.064 0.000 1.002 24 N HN 0.414 nan 8.380 nan 0.000 0.425 25 I N 0.890 121.452 120.570 -0.013 0.000 2.361 25 I HA -0.216 3.954 4.170 0.000 0.000 0.251 25 I C 2.235 178.329 176.117 -0.039 0.000 1.133 25 I CA 0.735 62.023 61.300 -0.020 0.000 1.413 25 I CB -0.113 37.881 38.000 -0.009 0.000 1.073 25 I HN 0.079 nan 8.210 nan 0.000 0.424 26 L N 0.675 121.871 121.223 -0.045 0.000 2.068 26 L HA -0.038 4.302 4.340 0.000 0.000 0.204 26 L C 2.712 179.527 176.870 -0.091 0.000 1.076 26 L CA 1.406 56.215 54.840 -0.052 0.000 0.753 26 L CB -0.313 41.724 42.059 -0.036 0.000 0.910 26 L HN 0.134 nan 8.230 nan 0.000 0.439 27 A N -0.204 122.519 122.820 -0.163 0.000 1.940 27 A HA -0.153 4.167 4.320 0.000 0.000 0.219 27 A C 2.249 179.700 177.584 -0.221 0.000 1.176 27 A CA 1.722 53.569 52.037 -0.318 0.000 0.631 27 A CB -1.517 16.937 19.000 -0.910 0.000 0.814 27 A HN 0.549 nan 8.150 nan 0.000 0.446 28 G N -0.486 108.219 108.800 -0.157 0.000 2.434 28 G HA2 -0.219 3.741 3.960 0.000 0.000 0.214 28 G HA3 -0.219 3.741 3.960 0.000 0.000 0.214 28 G C 1.677 176.532 174.900 -0.074 0.000 1.202 28 G CA 0.771 45.812 45.100 -0.098 0.000 0.788 28 G HN 0.569 nan 8.290 nan 0.000 0.539 29 R N -0.252 120.210 120.500 -0.063 0.000 2.249 29 R HA 0.060 4.400 4.340 0.000 0.000 0.230 29 R C 2.374 178.645 176.300 -0.048 0.000 1.121 29 R CA 0.664 56.735 56.100 -0.049 0.000 0.997 29 R CB -0.275 30.002 30.300 -0.040 0.000 0.867 29 R HN 0.402 nan 8.270 nan 0.000 0.465 30 I N 0.747 121.283 120.570 -0.057 0.000 2.400 30 I HA -0.167 4.003 4.170 0.000 0.000 0.248 30 I C 2.259 178.351 176.117 -0.041 0.000 1.109 30 I CA 0.812 62.084 61.300 -0.046 0.000 1.425 30 I CB -0.002 37.970 38.000 -0.047 0.000 1.094 30 I HN 0.128 nan 8.210 nan 0.000 0.425 31 I N -1.251 119.290 120.570 -0.048 0.000 2.830 31 I HA -0.028 4.142 4.170 0.000 0.000 0.263 31 I C 2.464 178.560 176.117 -0.034 0.000 1.230 31 I CA 1.052 62.330 61.300 -0.036 0.000 1.480 31 I CB -0.666 37.312 38.000 -0.036 0.000 1.095 31 I HN 0.019 nan 8.210 nan 0.000 0.455 32 A N 1.943 124.739 122.820 -0.040 0.000 1.873 32 A HA -0.152 4.168 4.320 0.000 0.000 0.215 32 A C 2.156 179.720 177.584 -0.034 0.000 1.186 32 A CA 1.532 53.547 52.037 -0.038 0.000 0.616 32 A CB -0.667 18.307 19.000 -0.044 0.000 0.823 32 A HN 0.515 nan 8.150 nan 0.000 0.442 33 E N -0.898 119.282 120.200 -0.032 0.000 2.472 33 E HA -0.061 4.289 4.350 0.000 0.000 0.200 33 E C 1.397 177.983 176.600 -0.023 0.000 1.046 33 E CA 0.917 57.300 56.400 -0.028 0.000 0.871 33 E CB -0.122 29.563 29.700 -0.026 0.000 0.806 33 E HN 0.509 nan 8.360 nan 0.000 0.533 34 T N -0.567 113.974 114.554 -0.023 0.000 3.067 34 T HA -0.038 4.313 4.350 0.000 0.000 0.261 34 T C 1.526 176.215 174.700 -0.018 0.000 1.110 34 T CA 0.952 63.041 62.100 -0.019 0.000 1.113 34 T CB 0.379 69.236 68.868 -0.017 0.000 0.917 34 T HN 0.177 nan 8.240 nan 0.000 0.499 35 V N -2.336 117.566 119.914 -0.020 0.000 3.502 35 V HA 0.409 4.530 4.120 0.000 0.000 0.288 35 V C 1.873 177.955 176.094 -0.021 0.000 1.461 35 V CA -0.255 62.033 62.300 -0.019 0.000 1.029 35 V CB -0.322 31.489 31.823 -0.019 0.000 0.843 35 V HN 0.093 nan 8.190 nan 0.000 0.438 36 R N 2.283 122.769 120.500 -0.024 0.000 2.204 36 R HA -0.176 4.164 4.340 0.000 0.000 0.253 36 R C 2.382 178.669 176.300 -0.022 0.000 1.172 36 R CA 2.036 58.120 56.100 -0.026 0.000 0.994 36 R CB -0.314 29.970 30.300 -0.027 0.000 0.874 36 R HN 0.801 nan 8.270 nan 0.000 0.462 37 S N -0.940 114.749 115.700 -0.018 0.000 2.562 37 S HA -0.054 4.416 4.470 0.000 0.000 0.221 37 S C 1.680 176.273 174.600 -0.012 0.000 0.975 37 S CA 0.956 59.147 58.200 -0.015 0.000 0.918 37 S CB 0.237 63.430 63.200 -0.012 0.000 0.772 37 S HN 0.397 nan 8.310 nan 0.000 0.531 38 T N -0.631 113.915 114.554 -0.013 0.000 3.086 38 T HA 0.344 4.694 4.350 0.000 0.000 0.250 38 T C 0.340 175.033 174.700 -0.011 0.000 1.074 38 T CA -0.451 61.644 62.100 -0.009 0.000 0.988 38 T CB -0.485 68.378 68.868 -0.008 0.000 0.988 38 T HN 0.350 nan 8.240 nan 0.000 0.530 39 L N 2.348 123.560 121.223 -0.018 0.000 2.361 39 L HA 0.562 4.902 4.340 0.000 0.000 0.278 39 L C 0.745 177.599 176.870 -0.027 0.000 1.113 39 L CA 1.197 56.023 54.840 -0.023 0.000 0.849 39 L CB -0.252 41.789 42.059 -0.029 0.000 1.155 39 L HN 0.661 nan 8.230 nan 0.000 0.452 40 G N 4.134 112.918 108.800 -0.026 0.000 2.661 40 G HA2 -0.165 3.795 3.960 0.000 0.000 0.685 40 G HA3 -0.165 3.795 3.960 0.000 0.000 0.685 40 G C -2.609 172.282 174.900 -0.015 0.000 1.298 40 G CA -0.457 44.620 45.100 -0.038 0.000 0.855 40 G HN 0.449 nan 8.290 nan 0.000 0.560 41 P HA 0.077 nan 4.420 nan 0.000 0.218 41 P C 1.268 178.612 177.300 0.074 0.000 1.152 41 P CA 1.112 64.248 63.100 0.060 0.000 0.826 41 P CB 0.156 31.928 31.700 0.119 0.000 0.790 42 K N 0.341 120.756 120.400 0.026 0.000 2.627 42 K HA 0.262 4.583 4.320 0.000 0.000 0.212 42 K C 0.941 177.550 176.600 0.015 0.000 1.041 42 K CA 0.045 56.355 56.287 0.039 0.000 1.205 42 K CB -0.373 32.137 32.500 0.017 0.000 0.936 42 K HN 0.105 nan 8.250 nan 0.000 0.489 43 G N 0.405 109.213 108.800 0.013 0.000 2.462 43 G HA2 0.485 4.445 3.960 0.000 0.000 0.319 43 G HA3 0.485 4.445 3.960 0.000 0.000 0.319 43 G C -0.088 174.818 174.900 0.010 0.000 1.171 43 G CA -0.556 44.546 45.100 0.004 0.000 0.920 43 G HN -0.048 nan 8.290 nan 0.000 0.499 44 M N 0.393 119.996 119.600 0.004 0.000 2.573 44 M HA 0.376 4.857 4.480 0.000 0.000 0.309 44 M C -0.933 175.367 176.300 0.001 0.000 1.202 44 M CA -0.671 54.631 55.300 0.004 0.000 0.975 44 M CB 1.781 34.382 32.600 0.001 0.000 1.600 44 M HN 0.341 nan 8.290 nan 0.000 0.479 45 D N 1.362 121.762 120.400 0.000 0.000 2.181 45 D HA 0.350 4.990 4.640 0.000 0.000 0.248 45 D C -0.376 175.918 176.300 -0.009 0.000 1.020 45 D CA -0.215 53.783 54.000 -0.003 0.000 0.891 45 D CB 1.197 41.996 40.800 -0.002 0.000 1.187 45 D HN 0.133 nan 8.370 nan 0.000 0.443 46 K N 1.587 121.980 120.400 -0.012 0.000 2.211 46 K HA 0.318 4.639 4.320 0.000 0.000 0.275 46 K C -0.108 176.478 176.600 -0.024 0.000 1.024 46 K CA -0.505 55.772 56.287 -0.016 0.000 0.887 46 K CB 1.941 34.433 32.500 -0.014 0.000 1.084 46 K HN 0.476 nan 8.250 nan 0.000 0.463 47 M N 4.230 123.811 119.600 -0.030 0.000 2.233 47 M HA 0.293 4.773 4.480 0.000 0.000 0.355 47 M C -1.226 175.049 176.300 -0.041 0.000 1.191 47 M CA -0.459 54.813 55.300 -0.047 0.000 1.101 47 M CB 0.555 33.120 32.600 -0.057 0.000 1.592 47 M HN 0.593 nan 8.290 nan 0.000 0.461 48 L N 6.329 127.523 121.223 -0.048 0.000 2.492 48 L HA 0.427 4.767 4.340 0.000 0.000 0.258 48 L C -1.147 175.704 176.870 -0.032 0.000 1.028 48 L CA -0.622 54.199 54.840 -0.032 0.000 0.900 48 L CB 1.444 43.489 42.059 -0.022 0.000 1.191 48 L HN 0.600 nan 8.230 nan 0.000 0.459 49 V N 1.789 121.686 119.914 -0.029 0.000 3.185 49 V HA 0.243 4.363 4.120 0.000 0.000 0.305 49 V C 0.257 176.345 176.094 -0.010 0.000 1.090 49 V CA -0.190 62.096 62.300 -0.022 0.000 1.107 49 V CB 1.229 33.041 31.823 -0.019 0.000 1.061 49 V HN 0.814 nan 8.190 nan 0.000 0.480 50 D N 0.853 121.251 120.400 -0.004 0.000 2.574 50 D HA 0.187 4.828 4.640 0.000 0.000 0.210 50 D C 0.415 176.717 176.300 0.002 0.000 1.277 50 D CA 0.241 54.241 54.000 0.001 0.000 1.121 50 D CB -0.172 40.631 40.800 0.005 0.000 1.192 50 D HN 0.515 nan 8.370 nan 0.000 0.602 51 D N -1.399 119.003 120.400 0.004 0.000 2.369 51 D HA 0.097 4.737 4.640 0.000 0.000 0.211 51 D C 0.954 177.258 176.300 0.006 0.000 1.077 51 D CA -0.012 53.990 54.000 0.004 0.000 0.842 51 D CB -0.176 40.627 40.800 0.005 0.000 0.947 51 D HN 0.266 nan 8.370 nan 0.000 0.509 52 L N -0.126 121.101 121.223 0.007 0.000 2.965 52 L HA 0.414 4.754 4.340 0.000 0.000 0.254 52 L C 1.442 178.319 176.870 0.011 0.000 1.220 52 L CA 0.066 54.912 54.840 0.009 0.000 1.023 52 L CB 0.468 42.534 42.059 0.012 0.000 1.355 52 L HN 0.244 nan 8.230 nan 0.000 0.545 53 G N -0.370 108.435 108.800 0.008 0.000 2.205 53 G HA2 -0.324 3.636 3.960 0.000 0.000 0.269 53 G HA3 -0.324 3.636 3.960 0.000 0.000 0.269 53 G C 0.103 175.010 174.900 0.012 0.000 0.977 53 G CA 0.424 45.529 45.100 0.008 0.000 0.652 53 G HN 0.393 nan 8.290 nan 0.000 0.539 54 D N 0.134 120.544 120.400 0.016 0.000 2.358 54 D HA 0.422 5.062 4.640 0.000 0.000 0.258 54 D C 0.533 176.840 176.300 0.010 0.000 1.223 54 D CA 0.183 54.200 54.000 0.029 0.000 0.886 54 D CB 1.563 42.382 40.800 0.032 0.000 1.120 54 D HN 0.338 nan 8.370 nan 0.000 0.482 55 V N 3.520 123.431 119.914 -0.005 0.000 2.834 55 V HA 0.679 4.799 4.120 0.000 0.000 0.313 55 V C -0.780 175.235 176.094 -0.132 0.000 1.060 55 V CA -0.447 61.795 62.300 -0.096 0.000 0.989 55 V CB 2.002 33.721 31.823 -0.172 0.000 1.041 55 V HN 0.238 nan 8.190 nan 0.000 0.459 56 V N 5.763 125.594 119.914 -0.139 0.000 2.737 56 V HA 0.462 4.582 4.120 0.000 0.000 0.298 56 V C -0.973 175.067 176.094 -0.090 0.000 1.163 56 V CA -0.292 61.948 62.300 -0.100 0.000 0.925 56 V CB 2.242 34.072 31.823 0.011 0.000 1.037 56 V HN 0.825 nan 8.190 nan 0.000 0.433 57 V N 5.565 125.419 119.914 -0.100 0.000 2.427 57 V HA 0.867 4.988 4.120 0.000 0.000 0.286 57 V C 0.186 176.273 176.094 -0.012 0.000 1.034 57 V CA 0.035 62.298 62.300 -0.060 0.000 0.893 57 V CB 1.605 33.386 31.823 -0.070 0.000 0.982 57 V HN 0.996 nan 8.190 nan 0.000 0.452 58 T N 2.464 117.012 114.554 -0.009 0.000 2.830 58 T HA 0.271 4.621 4.350 0.000 0.000 0.322 58 T C 0.006 174.707 174.700 0.001 0.000 1.501 58 T CA -0.458 61.644 62.100 0.003 0.000 1.036 58 T CB 1.852 70.724 68.868 0.007 0.000 1.379 58 T HN 0.673 nan 8.240 nan 0.000 0.493 59 N N 1.439 120.142 118.700 0.004 0.000 2.184 59 N HA 0.048 4.788 4.740 0.000 0.000 0.206 59 N C -0.285 175.226 175.510 0.002 0.000 1.151 59 N CA -0.123 52.928 53.050 0.003 0.000 0.878 59 N CB 0.484 38.976 38.487 0.007 0.000 1.014 59 N HN 0.735 nan 8.380 nan 0.000 0.512 60 D N 0.432 120.834 120.400 0.003 0.000 2.346 60 D HA 0.058 4.698 4.640 0.000 0.000 0.260 60 D C 1.235 177.534 176.300 -0.002 0.000 1.252 60 D CA 0.018 54.019 54.000 0.002 0.000 0.895 60 D CB 1.165 41.968 40.800 0.004 0.000 1.097 60 D HN 0.321 nan 8.370 nan 0.000 0.489 61 G N 3.519 112.317 108.800 -0.005 0.000 2.719 61 G HA2 -0.326 3.634 3.960 0.000 0.000 0.219 61 G HA3 -0.326 3.634 3.960 0.000 0.000 0.219 61 G C 1.492 176.388 174.900 -0.006 0.000 1.234 61 G CA 1.006 46.102 45.100 -0.008 0.000 0.788 61 G HN 0.506 nan 8.290 nan 0.000 0.619 62 V N 1.494 121.405 119.914 -0.005 0.000 2.343 62 V HA -0.183 3.937 4.120 0.000 0.000 0.247 62 V C 3.340 179.434 176.094 -0.001 0.000 1.051 62 V CA 3.522 65.820 62.300 -0.004 0.000 1.036 62 V CB -0.929 30.893 31.823 -0.003 0.000 0.654 62 V HN 0.714 nan 8.190 nan 0.000 0.451 63 T N -1.375 113.180 114.554 0.000 0.000 2.684 63 T HA -0.230 4.121 4.350 0.000 0.000 0.267 63 T C 1.878 176.579 174.700 0.001 0.000 1.036 63 T CA 2.060 64.162 62.100 0.003 0.000 1.148 63 T CB -0.758 68.114 68.868 0.006 0.000 0.863 63 T HN 0.472 nan 8.240 nan 0.000 0.436 64 I N 1.215 121.784 120.570 -0.001 0.000 2.091 64 I HA -0.230 3.940 4.170 0.000 0.000 0.240 64 I C 2.723 178.838 176.117 -0.003 0.000 1.046 64 I CA 1.803 63.101 61.300 -0.004 0.000 1.306 64 I CB -0.492 37.504 38.000 -0.006 0.000 1.018 64 I HN 0.251 nan 8.210 nan 0.000 0.404 65 L N -0.217 121.004 121.223 -0.004 0.000 1.976 65 L HA -0.222 4.118 4.340 0.000 0.000 0.209 65 L C 2.808 179.678 176.870 0.000 0.000 1.071 65 L CA 1.407 56.245 54.840 -0.003 0.000 0.746 65 L CB -0.652 41.404 42.059 -0.005 0.000 0.890 65 L HN 0.153 nan 8.230 nan 0.000 0.432 66 R N 0.390 120.891 120.500 0.001 0.000 2.143 66 R HA -0.202 4.138 4.340 0.000 0.000 0.239 66 R C 1.295 177.598 176.300 0.005 0.000 1.126 66 R CA 1.799 57.901 56.100 0.004 0.000 0.927 66 R CB -0.438 29.864 30.300 0.004 0.000 0.860 66 R HN 0.437 nan 8.270 nan 0.000 0.433 67 E N 1.138 121.340 120.200 0.004 0.000 2.424 67 E HA 0.030 4.380 4.350 0.000 0.000 0.237 67 E C 0.035 176.637 176.600 0.004 0.000 1.381 67 E CA -0.045 56.358 56.400 0.005 0.000 1.587 67 E CB -0.134 29.570 29.700 0.007 0.000 1.398 67 E HN 0.325 nan 8.360 nan 0.000 0.439 68 M N -2.263 117.340 119.600 0.004 0.000 2.457 68 M HA 0.418 4.898 4.480 0.000 0.000 0.300 68 M C -0.742 175.563 176.300 0.008 0.000 1.141 68 M CA -0.756 54.547 55.300 0.004 0.000 0.901 68 M CB 2.149 34.750 32.600 0.002 0.000 1.687 68 M HN -0.337 nan 8.290 nan 0.000 0.449 69 S N 2.563 118.269 115.700 0.010 0.000 3.024 69 S HA 0.278 4.748 4.470 0.000 0.000 0.316 69 S C -0.183 174.428 174.600 0.019 0.000 1.197 69 S CA -0.504 57.704 58.200 0.014 0.000 1.097 69 S CB -0.859 62.348 63.200 0.013 0.000 1.471 69 S HN 0.463 nan 8.310 nan 0.000 0.543 70 V N 3.794 123.721 119.914 0.022 0.000 2.432 70 V HA 0.261 4.382 4.120 0.000 0.000 0.275 70 V C 0.850 176.972 176.094 0.046 0.000 1.043 70 V CA -0.214 62.105 62.300 0.033 0.000 0.925 70 V CB 1.498 33.336 31.823 0.025 0.000 0.985 70 V HN 0.609 nan 8.190 nan 0.000 0.466 71 E N 1.347 121.588 120.200 0.067 0.000 2.306 71 E HA 0.084 4.434 4.350 0.000 0.000 0.201 71 E C 0.785 177.448 176.600 0.105 0.000 0.874 71 E CA 0.072 56.512 56.400 0.066 0.000 0.972 71 E CB -0.095 29.634 29.700 0.047 0.000 0.957 71 E HN 0.719 nan 8.360 nan 0.000 0.492 72 H N 3.790 122.873 119.070 0.021 0.000 3.094 72 H HA -0.027 4.529 4.556 0.000 0.000 0.320 72 H C -1.559 173.784 175.328 0.025 0.000 1.000 72 H CA -0.928 55.138 56.048 0.029 0.000 1.413 72 H CB 1.062 30.842 29.762 0.030 0.000 1.405 72 H HN -0.070 nan 8.280 nan 0.000 0.586 73 P HA -0.155 nan 4.420 nan 0.000 0.216 73 P C 1.200 178.647 177.300 0.244 0.000 1.153 73 P CA 1.800 65.036 63.100 0.226 0.000 0.848 73 P CB 0.028 31.798 31.700 0.117 0.000 0.787 74 A N 1.259 124.294 122.820 0.359 0.000 1.849 74 A HA -0.191 4.129 4.320 0.000 0.000 0.217 74 A C 2.611 180.181 177.584 -0.024 0.000 1.202 74 A CA 2.957 55.038 52.037 0.073 0.000 0.629 74 A CB -1.757 17.203 19.000 -0.066 0.000 0.834 74 A HN 0.237 nan 8.150 nan 0.000 0.447 75 A N -0.586 122.161 122.820 -0.121 0.000 1.917 75 A HA -0.233 4.087 4.320 0.000 0.000 0.219 75 A C 2.053 179.634 177.584 -0.005 0.000 1.182 75 A CA 2.088 54.079 52.037 -0.076 0.000 0.633 75 A CB -0.579 18.363 19.000 -0.096 0.000 0.819 75 A HN 0.577 nan 8.150 nan 0.000 0.448 76 K N -1.213 119.211 120.400 0.039 0.000 2.293 76 K HA -0.141 4.179 4.320 0.000 0.000 0.204 76 K C 1.657 178.272 176.600 0.024 0.000 1.045 76 K CA 1.742 58.051 56.287 0.038 0.000 0.933 76 K CB -0.245 32.288 32.500 0.054 0.000 0.736 76 K HN 0.596 nan 8.250 nan 0.000 0.463 77 M N -0.738 118.875 119.600 0.021 0.000 2.492 77 M HA 0.006 4.487 4.480 0.000 0.000 0.255 77 M C 1.160 177.464 176.300 0.006 0.000 1.139 77 M CA 0.252 55.562 55.300 0.017 0.000 1.096 77 M CB 0.327 32.942 32.600 0.025 0.000 1.360 77 M HN 0.016 nan 8.290 nan 0.000 0.480 78 L N 0.519 121.738 121.223 -0.006 0.000 2.240 78 L HA 0.034 4.374 4.340 0.000 0.000 0.211 78 L C 2.028 178.892 176.870 -0.010 0.000 1.106 78 L CA 1.350 56.183 54.840 -0.013 0.000 0.793 78 L CB -0.398 41.646 42.059 -0.026 0.000 0.927 78 L HN 0.245 nan 8.230 nan 0.000 0.446 79 I N -0.957 119.610 120.570 -0.006 0.000 2.614 79 I HA -0.186 3.984 4.170 0.000 0.000 0.258 79 I C 2.113 178.230 176.117 0.000 0.000 1.189 79 I CA 0.455 61.754 61.300 -0.003 0.000 1.462 79 I CB -0.248 37.753 38.000 0.001 0.000 1.092 79 I HN 0.285 nan 8.210 nan 0.000 0.442 80 E N 0.820 121.022 120.200 0.003 0.000 2.058 80 E HA -0.177 4.173 4.350 0.000 0.000 0.194 80 E C 2.449 179.051 176.600 0.002 0.000 0.997 80 E CA 1.240 57.643 56.400 0.005 0.000 0.801 80 E CB -0.417 29.289 29.700 0.009 0.000 0.746 80 E HN 0.328 nan 8.360 nan 0.000 0.450 81 V N 1.685 121.599 119.914 -0.001 0.000 2.295 81 V HA -0.256 3.864 4.120 0.000 0.000 0.246 81 V C 2.469 178.559 176.094 -0.006 0.000 1.049 81 V CA 1.917 64.215 62.300 -0.004 0.000 1.024 81 V CB -0.873 30.944 31.823 -0.009 0.000 0.648 81 V HN 0.267 nan 8.190 nan 0.000 0.447 82 A N -0.807 122.008 122.820 -0.008 0.000 1.969 82 A HA -0.208 4.112 4.320 0.000 0.000 0.218 82 A C 2.323 179.904 177.584 -0.005 0.000 1.169 82 A CA 1.843 53.875 52.037 -0.008 0.000 0.635 82 A CB -0.413 18.581 19.000 -0.010 0.000 0.810 82 A HN 0.498 nan 8.150 nan 0.000 0.445 83 K N -0.646 119.753 120.400 -0.002 0.000 2.217 83 K HA -0.092 4.228 4.320 0.000 0.000 0.202 83 K C 1.958 178.557 176.600 -0.000 0.000 1.051 83 K CA 1.577 57.864 56.287 -0.001 0.000 0.952 83 K CB -0.054 32.447 32.500 0.002 0.000 0.736 83 K HN 0.672 nan 8.250 nan 0.000 0.453 84 T N -2.532 112.022 114.554 -0.000 0.000 3.037 84 T HA -0.034 4.317 4.350 0.000 0.000 0.251 84 T C 1.714 176.413 174.700 -0.001 0.000 1.079 84 T CA 0.168 62.268 62.100 0.000 0.000 1.067 84 T CB 0.264 69.133 68.868 0.002 0.000 0.948 84 T HN 0.048 nan 8.240 nan 0.000 0.496 85 Q N 2.504 122.302 119.800 -0.003 0.000 2.020 85 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 85 Q C 2.224 178.222 176.000 -0.004 0.000 0.982 85 Q CA 2.483 58.284 55.803 -0.005 0.000 0.838 85 Q CB -0.501 28.232 28.738 -0.008 0.000 0.899 85 Q HN 0.834 nan 8.270 nan 0.000 0.423 86 E N -0.440 119.758 120.200 -0.004 0.000 2.171 86 E HA -0.295 4.055 4.350 0.000 0.000 0.197 86 E C 1.785 178.384 176.600 -0.003 0.000 0.997 86 E CA 1.588 57.986 56.400 -0.003 0.000 0.810 86 E CB -0.200 29.499 29.700 -0.002 0.000 0.738 86 E HN 0.168 nan 8.360 nan 0.000 0.467 87 K N 0.397 120.796 120.400 -0.002 0.000 2.103 87 K HA -0.056 4.264 4.320 0.000 0.000 0.204 87 K C 1.563 178.162 176.600 -0.002 0.000 1.052 87 K CA 1.316 57.602 56.287 -0.002 0.000 0.945 87 K CB 0.340 32.840 32.500 -0.001 0.000 0.722 87 K HN 0.107 nan 8.250 nan 0.000 0.443 88 E N -0.767 119.432 120.200 -0.002 0.000 2.498 88 E HA 0.100 4.450 4.350 0.000 0.000 0.203 88 E C 0.588 177.186 176.600 -0.003 0.000 1.013 88 E CA 0.162 56.561 56.400 -0.002 0.000 0.927 88 E CB 1.038 30.737 29.700 -0.001 0.000 1.012 88 E HN 0.080 nan 8.360 nan 0.000 0.482 89 V N -1.886 118.026 119.914 -0.003 0.000 5.048 89 V HA 0.429 4.549 4.120 0.000 0.000 0.133 89 V C 1.274 177.366 176.094 -0.003 0.000 1.124 89 V CA 0.379 62.677 62.300 -0.003 0.000 1.228 89 V CB 0.736 32.557 31.823 -0.004 0.000 1.711 89 V HN 0.203 nan 8.190 nan 0.000 0.586 90 G N -0.022 108.776 108.800 -0.003 0.000 3.345 90 G HA2 -0.067 3.893 3.960 0.000 0.000 0.199 90 G HA3 -0.067 3.893 3.960 0.000 0.000 0.199 90 G C -0.392 174.507 174.900 -0.003 0.000 1.057 90 G CA 0.368 45.467 45.100 -0.003 0.000 0.865 90 G HN 0.541 nan 8.290 nan 0.000 0.449 91 D N -0.493 119.905 120.400 -0.003 0.000 2.449 91 D HA 0.550 5.191 4.640 0.000 0.000 0.250 91 D C 1.111 177.407 176.300 -0.006 0.000 1.050 91 D CA 0.842 54.840 54.000 -0.003 0.000 1.024 91 D CB 1.166 41.965 40.800 -0.002 0.000 1.218 91 D HN 1.322 nan 8.370 nan 0.000 0.566 92 G N 0.217 109.012 108.800 -0.008 0.000 2.246 92 G HA2 -0.281 3.679 3.960 0.000 0.000 0.273 92 G HA3 -0.281 3.679 3.960 0.000 0.000 0.273 92 G C 0.893 175.785 174.900 -0.014 0.000 1.055 92 G CA 1.245 46.338 45.100 -0.012 0.000 0.851 92 G HN 0.631 nan 8.290 nan 0.000 0.500 93 T N -3.678 110.868 114.554 -0.012 0.000 2.809 93 T HA -0.055 4.295 4.350 0.000 0.000 0.260 93 T C 2.262 176.952 174.700 -0.017 0.000 1.039 93 T CA 2.160 64.252 62.100 -0.012 0.000 1.141 93 T CB -0.475 68.388 68.868 -0.009 0.000 0.869 93 T HN 0.270 nan 8.240 nan 0.000 0.437 94 T N 2.918 117.462 114.554 -0.017 0.000 2.665 94 T HA -0.160 4.190 4.350 0.000 0.000 0.268 94 T C 2.411 177.094 174.700 -0.029 0.000 1.035 94 T CA 2.327 64.414 62.100 -0.021 0.000 1.151 94 T CB -1.096 67.760 68.868 -0.020 0.000 0.862 94 T HN 0.818 nan 8.240 nan 0.000 0.438 95 T N 0.699 115.235 114.554 -0.029 0.000 2.915 95 T HA 0.105 4.456 4.350 0.000 0.000 0.269 95 T C 2.206 176.879 174.700 -0.044 0.000 1.071 95 T CA 1.008 63.085 62.100 -0.038 0.000 1.132 95 T CB -0.464 68.383 68.868 -0.036 0.000 0.878 95 T HN 0.361 nan 8.240 nan 0.000 0.479 96 A N 1.000 123.798 122.820 -0.036 0.000 1.897 96 A HA 0.162 4.483 4.320 0.000 0.000 0.215 96 A C 2.593 180.151 177.584 -0.044 0.000 1.181 96 A CA 1.225 53.239 52.037 -0.038 0.000 0.620 96 A CB -0.941 18.044 19.000 -0.026 0.000 0.821 96 A HN 0.392 nan 8.150 nan 0.000 0.443 97 V N -0.389 119.503 119.914 -0.037 0.000 2.358 97 V HA -0.192 3.928 4.120 0.000 0.000 0.246 97 V C 2.592 178.657 176.094 -0.049 0.000 1.047 97 V CA 1.840 64.117 62.300 -0.038 0.000 1.035 97 V CB -0.506 31.299 31.823 -0.030 0.000 0.658 97 V HN 0.364 nan 8.190 nan 0.000 0.452 98 V N -0.352 119.532 119.914 -0.050 0.000 2.295 98 V HA -0.236 3.884 4.120 0.000 0.000 0.246 98 V C 2.433 178.481 176.094 -0.076 0.000 1.049 98 V CA 2.025 64.291 62.300 -0.057 0.000 1.024 98 V CB -0.473 31.319 31.823 -0.052 0.000 0.648 98 V HN 0.396 nan 8.190 nan 0.000 0.447 99 V N 0.299 120.157 119.914 -0.092 0.000 2.332 99 V HA -0.283 3.837 4.120 0.000 0.000 0.248 99 V C 2.702 178.705 176.094 -0.152 0.000 1.055 99 V CA 2.040 64.258 62.300 -0.137 0.000 1.038 99 V CB -1.116 30.616 31.823 -0.152 0.000 0.651 99 V HN 0.577 nan 8.190 nan 0.000 0.450 100 A N 0.256 123.009 122.820 -0.112 0.000 1.978 100 A HA -0.103 4.218 4.320 0.000 0.000 0.220 100 A C 2.370 179.909 177.584 -0.076 0.000 1.170 100 A CA 1.955 53.936 52.037 -0.093 0.000 0.636 100 A CB -1.021 17.945 19.000 -0.057 0.000 0.810 100 A HN 0.542 nan 8.150 nan 0.000 0.448 101 G N -0.652 108.106 108.800 -0.071 0.000 2.394 101 G HA2 -0.168 3.792 3.960 0.000 0.000 0.214 101 G HA3 -0.168 3.792 3.960 0.000 0.000 0.214 101 G C 1.423 176.287 174.900 -0.060 0.000 1.176 101 G CA 1.078 46.145 45.100 -0.057 0.000 0.786 101 G HN 0.546 nan 8.290 nan 0.000 0.533 102 E N 0.061 120.211 120.200 -0.083 0.000 2.338 102 E HA 0.062 4.413 4.350 0.000 0.000 0.197 102 E C 2.369 178.909 176.600 -0.101 0.000 1.007 102 E CA 0.340 56.688 56.400 -0.087 0.000 0.849 102 E CB -0.247 29.391 29.700 -0.103 0.000 0.774 102 E HN 0.465 nan 8.360 nan 0.000 0.506 103 L N -0.447 120.693 121.223 -0.138 0.000 2.131 103 L HA -0.056 4.284 4.340 0.000 0.000 0.206 103 L C 2.185 179.101 176.870 0.076 0.000 1.087 103 L CA 0.578 55.339 54.840 -0.132 0.000 0.767 103 L CB -0.234 41.639 42.059 -0.310 0.000 0.917 103 L HN 0.204 nan 8.230 nan 0.000 0.441 104 L N -0.502 120.743 121.223 0.037 0.000 2.093 104 L HA -0.202 4.138 4.340 0.000 0.000 0.208 104 L C 2.808 179.698 176.870 0.033 0.000 1.085 104 L CA 1.113 55.984 54.840 0.050 0.000 0.755 104 L CB -0.489 41.578 42.059 0.013 0.000 0.904 104 L HN 0.265 nan 8.230 nan 0.000 0.435 105 R N 0.485 120.990 120.500 0.008 0.000 2.070 105 R HA -0.158 4.182 4.340 0.000 0.000 0.233 105 R C 2.284 178.597 176.300 0.021 0.000 1.137 105 R CA 1.306 57.408 56.100 0.003 0.000 0.945 105 R CB 0.013 30.305 30.300 -0.014 0.000 0.845 105 R HN 0.132 nan 8.270 nan 0.000 0.430 106 K N 0.266 120.689 120.400 0.038 0.000 2.209 106 K HA -0.064 4.256 4.320 0.000 0.000 0.204 106 K C 1.930 178.587 176.600 0.095 0.000 1.048 106 K CA 1.128 57.455 56.287 0.068 0.000 0.940 106 K CB -0.185 32.364 32.500 0.082 0.000 0.729 106 K HN 0.310 nan 8.250 nan 0.000 0.451 107 A N 2.084 124.974 122.820 0.117 0.000 1.972 107 A HA -0.198 4.122 4.320 0.000 0.000 0.219 107 A C 1.982 179.564 177.584 -0.003 0.000 1.169 107 A CA 1.732 53.797 52.037 0.047 0.000 0.635 107 A CB -0.343 18.687 19.000 0.050 0.000 0.810 107 A HN 0.558 nan 8.150 nan 0.000 0.446 108 E N -0.160 120.045 120.200 0.007 0.000 2.435 108 E HA -0.062 4.288 4.350 0.000 0.000 0.195 108 E C 1.270 177.867 176.600 -0.006 0.000 1.029 108 E CA 0.687 57.083 56.400 -0.007 0.000 0.865 108 E CB -0.241 29.455 29.700 -0.008 0.000 0.833 108 E HN 0.703 nan 8.360 nan 0.000 0.510 109 E N 0.913 121.116 120.200 0.005 0.000 2.204 109 E HA -0.075 4.276 4.350 0.000 0.000 0.194 109 E C 1.899 178.500 176.600 0.002 0.000 0.989 109 E CA 0.831 57.234 56.400 0.006 0.000 0.824 109 E CB 0.045 29.755 29.700 0.016 0.000 0.756 109 E HN 0.408 nan 8.360 nan 0.000 0.477 110 L N -0.003 121.218 121.223 -0.003 0.000 2.298 110 L HA 0.017 4.357 4.340 0.000 0.000 0.209 110 L C 2.160 179.017 176.870 -0.022 0.000 1.084 110 L CA 0.288 55.121 54.840 -0.011 0.000 0.816 110 L CB -0.129 41.916 42.059 -0.023 0.000 0.967 110 L HN 0.113 nan 8.230 nan 0.000 0.460 111 L N -0.372 120.833 121.223 -0.030 0.000 2.156 111 L HA -0.109 4.231 4.340 0.000 0.000 0.208 111 L C 1.541 178.394 176.870 -0.029 0.000 1.095 111 L CA 0.891 55.708 54.840 -0.038 0.000 0.770 111 L CB -0.309 41.724 42.059 -0.044 0.000 0.914 111 L HN 0.222 nan 8.230 nan 0.000 0.439 112 D N -0.182 120.206 120.400 -0.020 0.000 2.336 112 D HA -0.052 4.588 4.640 0.000 0.000 0.229 112 D C 1.258 177.551 176.300 -0.011 0.000 1.061 112 D CA 0.575 54.565 54.000 -0.016 0.000 0.875 112 D CB 0.356 41.149 40.800 -0.013 0.000 0.904 112 D HN 0.473 nan 8.370 nan 0.000 0.525 113 Q N 0.020 119.813 119.800 -0.010 0.000 2.159 113 Q HA 0.112 4.452 4.340 0.000 0.000 0.217 113 Q C -0.212 175.785 176.000 -0.005 0.000 0.818 113 Q CA -0.204 55.596 55.803 -0.005 0.000 1.008 113 Q CB 0.773 29.511 28.738 -0.001 0.000 1.148 113 Q HN 0.118 nan 8.270 nan 0.000 0.491 114 N N -0.242 118.451 118.700 -0.012 0.000 2.776 114 N HA -0.135 4.605 4.740 0.000 0.000 0.250 114 N C -0.477 175.033 175.510 -0.000 0.000 1.112 114 N CA 0.445 53.488 53.050 -0.012 0.000 0.733 114 N CB -1.655 36.829 38.487 -0.004 0.000 1.097 114 N HN 0.038 nan 8.380 nan 0.000 0.558 115 V N 1.588 121.501 119.914 -0.002 0.000 2.637 115 V HA 0.018 4.138 4.120 0.000 0.000 0.296 115 V C 1.233 177.339 176.094 0.021 0.000 1.046 115 V CA -0.214 62.096 62.300 0.016 0.000 1.066 115 V CB 1.157 32.980 31.823 0.001 0.000 0.968 115 V HN 0.253 nan 8.190 nan 0.000 0.483 116 H N 7.371 126.426 119.070 -0.026 0.000 2.848 116 H HA 0.096 4.652 4.556 0.000 0.000 0.341 116 H C -1.688 173.618 175.328 -0.038 0.000 1.060 116 H CA -1.479 54.554 56.048 -0.025 0.000 1.444 116 H CB 1.811 31.562 29.762 -0.018 0.000 1.446 116 H HN 0.382 nan 8.280 nan 0.000 0.583 117 P HA -0.159 nan 4.420 nan 0.000 0.216 117 P C 1.354 178.728 177.300 0.123 0.000 1.150 117 P CA 2.352 65.454 63.100 0.003 0.000 0.843 117 P CB 0.036 31.702 31.700 -0.055 0.000 0.787 118 T N -3.772 111.004 114.554 0.371 0.000 3.035 118 T HA -0.046 4.304 4.350 0.000 0.000 0.268 118 T C 1.685 176.420 174.700 0.057 0.000 1.109 118 T CA 0.652 62.847 62.100 0.158 0.000 1.119 118 T CB -0.723 68.180 68.868 0.059 0.000 0.900 118 T HN -0.090 nan 8.240 nan 0.000 0.503 119 I N 1.183 121.796 120.570 0.071 0.000 2.333 119 I HA 0.003 4.173 4.170 0.000 0.000 0.246 119 I C 2.664 178.772 176.117 -0.015 0.000 1.106 119 I CA 0.325 61.635 61.300 0.018 0.000 1.411 119 I CB -1.179 36.839 38.000 0.030 0.000 1.082 119 I HN 0.154 nan 8.210 nan 0.000 0.420 120 V N 0.648 120.528 119.914 -0.058 0.000 2.255 120 V HA -0.244 3.876 4.120 0.000 0.000 0.247 120 V C 2.615 178.575 176.094 -0.224 0.000 1.051 120 V CA 1.878 64.054 62.300 -0.207 0.000 1.018 120 V CB -0.761 30.886 31.823 -0.293 0.000 0.641 120 V HN 0.325 nan 8.190 nan 0.000 0.445 121 V N -0.146 119.702 119.914 -0.110 0.000 2.913 121 V HA -0.205 3.915 4.120 0.000 0.000 0.260 121 V C 2.376 178.505 176.094 0.059 0.000 1.098 121 V CA 2.357 64.652 62.300 -0.008 0.000 1.121 121 V CB -0.467 31.374 31.823 0.031 0.000 0.714 121 V HN 0.618 nan 8.190 nan 0.000 0.487 122 K N -0.028 120.392 120.400 0.032 0.000 2.007 122 K HA -0.044 4.276 4.320 0.000 0.000 0.206 122 K C 2.065 178.708 176.600 0.073 0.000 1.047 122 K CA 1.584 57.897 56.287 0.044 0.000 0.937 122 K CB -0.675 31.839 32.500 0.022 0.000 0.718 122 K HN 0.526 nan 8.250 nan 0.000 0.438 123 G N -0.418 108.430 108.800 0.079 0.000 2.448 123 G HA2 -0.195 3.765 3.960 0.000 0.000 0.218 123 G HA3 -0.195 3.765 3.960 0.000 0.000 0.218 123 G C 1.341 176.385 174.900 0.239 0.000 1.135 123 G CA 0.406 45.583 45.100 0.128 0.000 0.784 123 G HN 0.360 nan 8.290 nan 0.000 0.543 124 Y N 0.072 120.427 120.300 0.092 0.000 2.200 124 Y HA -0.159 4.391 4.550 0.000 0.000 0.290 124 Y C 3.165 179.070 175.900 0.008 0.000 1.137 124 Y CA 1.163 59.364 58.100 0.169 0.000 1.163 124 Y CB 0.073 38.679 38.460 0.244 0.000 0.988 124 Y HN 0.238 nan 8.280 nan 0.000 0.518 125 Q N 0.407 120.320 119.800 0.189 0.000 2.050 125 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 125 Q C 2.422 178.395 176.000 -0.045 0.000 0.980 125 Q CA 1.460 57.300 55.803 0.061 0.000 0.840 125 Q CB -0.230 28.546 28.738 0.065 0.000 0.898 125 Q HN 0.478 nan 8.270 nan 0.000 0.424 126 A N 0.649 123.460 122.820 -0.014 0.000 1.917 126 A HA -0.191 4.129 4.320 0.000 0.000 0.219 126 A C 2.196 179.664 177.584 -0.194 0.000 1.182 126 A CA 1.991 54.010 52.037 -0.030 0.000 0.633 126 A CB -0.868 18.181 19.000 0.082 0.000 0.819 126 A HN 0.561 nan 8.150 nan 0.000 0.448 127 A N -0.771 121.851 122.820 -0.329 0.000 1.975 127 A HA 0.379 4.699 4.320 0.000 0.000 0.215 127 A C 2.414 179.454 177.584 -0.907 0.000 1.170 127 A CA 1.466 53.106 52.037 -0.661 0.000 0.656 127 A CB -0.770 17.764 19.000 -0.776 0.000 0.821 127 A HN 0.993 nan 8.150 nan 0.000 0.449 128 A N -0.607 121.708 122.820 -0.842 0.000 1.933 128 A HA -0.157 4.163 4.320 0.000 0.000 0.218 128 A C 2.125 179.546 177.584 -0.271 0.000 1.175 128 A CA 2.039 53.792 52.037 -0.475 0.000 0.628 128 A CB -0.432 18.482 19.000 -0.144 0.000 0.814 128 A HN 0.509 nan 8.150 nan 0.000 0.444 129 Q N 0.286 119.938 119.800 -0.246 0.000 1.993 129 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 129 Q C 2.048 177.912 176.000 -0.228 0.000 0.984 129 Q CA 2.454 58.150 55.803 -0.178 0.000 0.837 129 Q CB -0.340 28.317 28.738 -0.135 0.000 0.902 129 Q HN 0.452 nan 8.270 nan 0.000 0.423 130 K N 0.096 120.278 120.400 -0.364 0.000 2.009 130 K HA -0.055 4.265 4.320 0.000 0.000 0.210 130 K C 1.824 178.243 176.600 -0.302 0.000 1.049 130 K CA 1.866 57.887 56.287 -0.443 0.000 0.929 130 K CB -0.994 30.975 32.500 -0.886 0.000 0.714 130 K HN 0.277 nan 8.250 nan 0.000 0.440 131 A N 0.414 123.056 122.820 -0.295 0.000 2.125 131 A HA -0.158 4.162 4.320 0.000 0.000 0.219 131 A C 1.926 179.445 177.584 -0.107 0.000 1.156 131 A CA 1.345 53.281 52.037 -0.170 0.000 0.671 131 A CB -0.422 18.507 19.000 -0.119 0.000 0.794 131 A HN 0.376 nan 8.150 nan 0.000 0.459 132 Q N -0.039 119.691 119.800 -0.116 0.000 2.137 132 Q HA -0.136 4.205 4.340 0.000 0.000 0.198 132 Q C 1.950 177.913 176.000 -0.062 0.000 0.960 132 Q CA 1.664 57.424 55.803 -0.072 0.000 0.847 132 Q CB -0.257 28.442 28.738 -0.065 0.000 0.915 132 Q HN 1.005 nan 8.270 nan 0.000 0.448 133 E N -0.319 119.834 120.200 -0.079 0.000 2.318 133 E HA -0.013 4.337 4.350 0.000 0.000 0.193 133 E C 1.937 178.505 176.600 -0.053 0.000 0.998 133 E CA 0.046 56.411 56.400 -0.059 0.000 0.859 133 E CB -0.220 29.444 29.700 -0.059 0.000 0.812 133 E HN 0.204 nan 8.360 nan 0.000 0.492 134 L N 0.671 121.851 121.223 -0.072 0.000 2.291 134 L HA -0.048 4.292 4.340 0.000 0.000 0.214 134 L C 2.314 179.164 176.870 -0.033 0.000 1.120 134 L CA 0.623 55.431 54.840 -0.055 0.000 0.799 134 L CB -0.019 41.993 42.059 -0.077 0.000 0.925 134 L HN 0.189 nan 8.230 nan 0.000 0.446 135 L N -1.133 120.070 121.223 -0.034 0.000 2.102 135 L HA -0.134 4.206 4.340 0.000 0.000 0.202 135 L C 2.460 179.321 176.870 -0.014 0.000 1.076 135 L CA 0.802 55.630 54.840 -0.020 0.000 0.761 135 L CB -0.270 41.778 42.059 -0.019 0.000 0.921 135 L HN 0.077 nan 8.230 nan 0.000 0.444 136 K N -0.251 120.137 120.400 -0.019 0.000 2.077 136 K HA -0.274 4.046 4.320 0.000 0.000 0.213 136 K C 2.035 178.630 176.600 -0.008 0.000 1.051 136 K CA 2.341 58.620 56.287 -0.013 0.000 0.929 136 K CB -0.383 32.107 32.500 -0.017 0.000 0.715 136 K HN 0.472 nan 8.250 nan 0.000 0.451 137 T N -0.751 113.798 114.554 -0.009 0.000 3.043 137 T HA -0.021 4.329 4.350 0.000 0.000 0.263 137 T C 1.529 176.230 174.700 0.002 0.000 1.094 137 T CA 0.679 62.777 62.100 -0.003 0.000 1.127 137 T CB -0.286 68.580 68.868 -0.003 0.000 0.905 137 T HN 0.399 nan 8.240 nan 0.000 0.490 138 I N -0.592 119.980 120.570 0.003 0.000 3.884 138 I HA 0.680 4.850 4.170 0.000 0.000 0.330 138 I C 0.264 176.387 176.117 0.010 0.000 1.451 138 I CA -1.080 60.226 61.300 0.011 0.000 1.165 138 I CB -0.335 37.675 38.000 0.017 0.000 1.097 138 I HN 0.165 nan 8.210 nan 0.000 0.404 139 A N 1.495 124.318 122.820 0.005 0.000 2.258 139 A HA 0.554 4.874 4.320 0.000 0.000 0.316 139 A C 0.269 177.856 177.584 0.005 0.000 1.279 139 A CA -0.460 51.580 52.037 0.005 0.000 0.876 139 A CB 0.141 19.142 19.000 0.001 0.000 1.170 139 A HN 0.555 nan 8.150 nan 0.000 0.520 140 C N 2.230 121.534 119.300 0.007 0.000 2.679 140 C HA 0.237 4.697 4.460 0.000 0.000 0.417 140 C C 0.886 175.879 174.990 0.004 0.000 1.302 140 C CA -0.636 58.386 59.018 0.006 0.000 1.973 140 C CB -0.598 27.146 27.740 0.007 0.000 2.715 140 C HN 0.770 nan 8.230 nan 0.000 0.628 141 E N 0.534 120.736 120.200 0.004 0.000 2.349 141 E HA 0.646 4.996 4.350 0.000 0.000 0.262 141 E C -0.527 176.075 176.600 0.003 0.000 1.088 141 E CA -0.073 56.328 56.400 0.003 0.000 0.899 141 E CB 1.477 31.179 29.700 0.003 0.000 1.044 141 E HN 0.510 nan 8.360 nan 0.000 0.420 142 V N -0.128 119.788 119.914 0.003 0.000 3.087 142 V HA 0.411 4.531 4.120 0.000 0.000 0.306 142 V C 0.049 176.145 176.094 0.003 0.000 1.187 142 V CA -1.100 61.202 62.300 0.003 0.000 0.999 142 V CB 2.299 34.124 31.823 0.003 0.000 1.049 142 V HN 0.757 nan 8.190 nan 0.000 0.431 143 G N 1.106 109.908 108.800 0.003 0.000 2.355 143 G HA2 0.482 4.442 3.960 0.000 0.000 0.276 143 G HA3 0.482 4.442 3.960 0.000 0.000 0.276 143 G C 0.985 175.887 174.900 0.003 0.000 1.198 143 G CA 0.278 45.380 45.100 0.003 0.000 0.876 143 G HN 1.286 nan 8.290 nan 0.000 0.478 144 A N 1.860 124.681 122.820 0.002 0.000 2.194 144 A HA -0.106 4.215 4.320 0.000 0.000 0.220 144 A C 1.786 179.371 177.584 0.001 0.000 1.162 144 A CA 1.758 53.796 52.037 0.002 0.000 0.674 144 A CB -0.033 18.969 19.000 0.002 0.000 0.789 144 A HN 0.648 nan 8.150 nan 0.000 0.470 145 Q N -1.013 118.789 119.800 0.002 0.000 2.118 145 Q HA 0.051 4.391 4.340 0.000 0.000 0.219 145 Q C -0.544 175.457 176.000 0.002 0.000 0.794 145 Q CA -0.262 55.542 55.803 0.002 0.000 1.035 145 Q CB 0.515 29.255 28.738 0.003 0.000 1.177 145 Q HN 0.425 nan 8.270 nan 0.000 0.478 146 D N 1.602 122.004 120.400 0.003 0.000 2.619 146 D HA -0.081 4.559 4.640 0.000 0.000 0.238 146 D C 0.592 176.893 176.300 0.003 0.000 1.158 146 D CA 0.526 54.528 54.000 0.003 0.000 1.251 146 D CB 0.250 41.052 40.800 0.003 0.000 1.134 146 D HN 0.162 nan 8.370 nan 0.000 0.487 147 K N 1.279 121.680 120.400 0.002 0.000 2.585 147 K HA -0.119 4.201 4.320 0.000 0.000 0.194 147 K C 1.562 178.163 176.600 0.003 0.000 1.037 147 K CA 0.531 56.819 56.287 0.002 0.000 0.964 147 K CB 0.307 32.807 32.500 0.001 0.000 0.787 147 K HN 0.383 nan 8.250 nan 0.000 0.488 148 E N 0.336 120.538 120.200 0.003 0.000 2.099 148 E HA -0.077 4.273 4.350 0.000 0.000 0.191 148 E C 1.804 178.407 176.600 0.005 0.000 0.962 148 E CA 0.431 56.833 56.400 0.004 0.000 0.826 148 E CB 0.074 29.777 29.700 0.005 0.000 0.788 148 E HN 0.266 nan 8.360 nan 0.000 0.461 149 I N 1.507 122.081 120.570 0.005 0.000 2.252 149 I HA -0.256 3.914 4.170 0.000 0.000 0.245 149 I C 2.494 178.614 176.117 0.006 0.000 1.102 149 I CA 0.684 61.988 61.300 0.006 0.000 1.385 149 I CB -0.116 37.888 38.000 0.006 0.000 1.064 149 I HN 0.187 nan 8.210 nan 0.000 0.414 150 L N 0.024 121.249 121.223 0.004 0.000 2.137 150 L HA -0.272 4.068 4.340 0.000 0.000 0.213 150 L C 2.301 179.174 176.870 0.004 0.000 1.085 150 L CA 1.599 56.441 54.840 0.003 0.000 0.760 150 L CB -0.956 41.104 42.059 0.001 0.000 0.893 150 L HN 0.311 nan 8.230 nan 0.000 0.434 151 T N -1.405 113.152 114.554 0.005 0.000 3.054 151 T HA -0.043 4.307 4.350 0.000 0.000 0.259 151 T C 1.843 176.548 174.700 0.009 0.000 1.092 151 T CA 0.511 62.615 62.100 0.006 0.000 1.121 151 T CB 0.183 69.055 68.868 0.005 0.000 0.912 151 T HN 0.276 nan 8.240 nan 0.000 0.489 152 K N 0.757 121.163 120.400 0.010 0.000 2.155 152 K HA 0.186 4.506 4.320 0.000 0.000 0.203 152 K C 1.950 178.559 176.600 0.015 0.000 1.052 152 K CA 0.757 57.052 56.287 0.014 0.000 0.948 152 K CB -0.054 32.454 32.500 0.014 0.000 0.728 152 K HN 0.288 nan 8.250 nan 0.000 0.448 153 I N 0.779 121.356 120.570 0.011 0.000 2.233 153 I HA -0.216 3.954 4.170 0.000 0.000 0.243 153 I C 2.236 178.359 176.117 0.010 0.000 1.093 153 I CA 0.888 62.194 61.300 0.010 0.000 1.380 153 I CB -0.120 37.884 38.000 0.007 0.000 1.067 153 I HN 0.117 nan 8.210 nan 0.000 0.413 154 A N -0.352 122.473 122.820 0.009 0.000 2.119 154 A HA -0.167 4.153 4.320 0.000 0.000 0.217 154 A C 2.123 179.715 177.584 0.013 0.000 1.153 154 A CA 1.198 53.241 52.037 0.009 0.000 0.692 154 A CB -0.381 18.622 19.000 0.006 0.000 0.799 154 A HN 0.413 nan 8.150 nan 0.000 0.458 155 M N -1.529 118.080 119.600 0.016 0.000 2.394 155 M HA 0.045 4.525 4.480 0.000 0.000 0.266 155 M C 1.807 178.125 176.300 0.030 0.000 1.098 155 M CA 1.582 56.895 55.300 0.022 0.000 1.149 155 M CB -0.025 32.588 32.600 0.022 0.000 1.369 155 M HN 0.218 nan 8.290 nan 0.000 0.450 156 T N -0.814 113.756 114.554 0.028 0.000 2.995 156 T HA -0.061 4.289 4.350 0.000 0.000 0.269 156 T C 1.884 176.600 174.700 0.026 0.000 1.091 156 T CA 1.496 63.615 62.100 0.031 0.000 1.128 156 T CB -0.185 68.697 68.868 0.023 0.000 0.891 156 T HN 0.457 nan 8.240 nan 0.000 0.492 157 S N 0.603 116.314 115.700 0.019 0.000 2.362 157 S HA 0.050 4.520 4.470 0.000 0.000 0.221 157 S C 2.019 176.630 174.600 0.019 0.000 1.032 157 S CA 0.518 58.727 58.200 0.015 0.000 0.973 157 S CB -0.325 62.881 63.200 0.010 0.000 0.849 157 S HN 0.450 nan 8.310 nan 0.000 0.465 158 I N 1.402 121.985 120.570 0.021 0.000 2.179 158 I HA -0.114 4.056 4.170 0.000 0.000 0.242 158 I C 1.135 177.273 176.117 0.034 0.000 1.088 158 I CA 0.690 62.004 61.300 0.024 0.000 1.357 158 I CB -1.032 36.980 38.000 0.021 0.000 1.051 158 I HN 0.263 nan 8.210 nan 0.000 0.409 159 T N 0.530 115.113 114.554 0.048 0.000 2.855 159 T HA 0.205 4.555 4.350 0.000 0.000 0.322 159 T C 1.162 175.896 174.700 0.057 0.000 1.088 159 T CA 0.877 63.022 62.100 0.075 0.000 1.104 159 T CB 0.848 69.784 68.868 0.113 0.000 0.996 159 T HN 0.679 nan 8.240 nan 0.000 0.549 160 G N 1.230 110.067 108.800 0.062 0.000 2.320 160 G HA2 -0.267 3.693 3.960 0.000 0.000 0.242 160 G HA3 -0.267 3.693 3.960 0.000 0.000 0.242 160 G C 0.679 175.595 174.900 0.027 0.000 1.033 160 G CA 0.258 45.376 45.100 0.031 0.000 0.620 160 G HN 0.632 nan 8.290 nan 0.000 0.517 161 K N 1.490 121.908 120.400 0.031 0.000 2.596 161 K HA 0.457 4.777 4.320 0.000 0.000 0.211 161 K C 0.882 177.503 176.600 0.035 0.000 1.046 161 K CA 0.536 56.839 56.287 0.027 0.000 1.202 161 K CB -0.008 32.505 32.500 0.022 0.000 0.925 161 K HN 1.564 nan 8.250 nan 0.000 0.486 162 G N 0.311 109.141 108.800 0.051 0.000 3.055 162 G HA2 -0.171 3.790 3.960 0.000 0.000 0.686 162 G HA3 -0.171 3.790 3.960 0.000 0.000 0.686 162 G C 0.487 175.433 174.900 0.076 0.000 1.087 162 G CA -0.472 44.666 45.100 0.064 0.000 0.779 162 G HN 0.162 nan 8.290 nan 0.000 0.599 163 A N 1.270 124.156 122.820 0.111 0.000 2.125 163 A HA 0.054 4.374 4.320 0.000 0.000 0.219 163 A C 2.126 179.714 177.584 0.006 0.000 1.156 163 A CA 2.159 54.243 52.037 0.078 0.000 0.671 163 A CB -0.140 18.874 19.000 0.024 0.000 0.794 163 A HN 1.373 nan 8.150 nan 0.000 0.459 164 E N 0.406 120.611 120.200 0.008 0.000 2.481 164 E HA -0.061 4.290 4.350 0.000 0.000 0.195 164 E C 1.174 177.774 176.600 0.001 0.000 1.047 164 E CA 0.828 57.224 56.400 -0.008 0.000 0.867 164 E CB -0.220 29.476 29.700 -0.006 0.000 0.858 164 E HN 0.589 nan 8.360 nan 0.000 0.513 165 K N 0.532 120.939 120.400 0.012 0.000 2.400 165 K HA 0.228 4.548 4.320 0.000 0.000 0.194 165 K C 1.314 177.921 176.600 0.011 0.000 1.033 165 K CA 0.538 56.832 56.287 0.012 0.000 1.021 165 K CB 0.326 32.837 32.500 0.018 0.000 0.808 165 K HN 0.107 nan 8.250 nan 0.000 0.505 166 A N 2.034 124.861 122.820 0.011 0.000 2.190 166 A HA -0.030 4.291 4.320 0.000 0.000 0.226 166 A C 0.119 177.704 177.584 0.002 0.000 1.402 166 A CA 0.120 52.164 52.037 0.012 0.000 1.288 166 A CB -0.615 18.397 19.000 0.020 0.000 0.833 166 A HN -0.024 nan 8.150 nan 0.000 0.564 167 K N 0.969 121.369 120.400 0.001 0.000 2.491 167 K HA -0.005 4.315 4.320 0.000 0.000 0.279 167 K C 1.083 177.683 176.600 -0.000 0.000 1.026 167 K CA 0.256 56.541 56.287 -0.002 0.000 1.070 167 K CB 0.266 32.766 32.500 -0.001 0.000 0.887 167 K HN 0.419 nan 8.250 nan 0.000 0.481 168 E N 3.572 123.770 120.200 -0.003 0.000 2.058 168 E HA -0.193 4.157 4.350 0.000 0.000 0.194 168 E C 0.495 177.095 176.600 0.001 0.000 0.997 168 E CA 1.457 57.857 56.400 -0.001 0.000 0.801 168 E CB 0.150 29.848 29.700 -0.003 0.000 0.746 168 E HN 0.518 nan 8.360 nan 0.000 0.450 169 K N 0.483 120.883 120.400 0.000 0.000 2.551 169 K HA -0.058 4.262 4.320 0.000 0.000 0.192 169 K C 1.652 178.253 176.600 0.003 0.000 1.027 169 K CA -0.091 56.197 56.287 0.001 0.000 1.059 169 K CB 0.141 32.642 32.500 0.001 0.000 0.831 169 K HN -0.006 nan 8.250 nan 0.000 0.508 170 L N -0.554 120.670 121.223 0.003 0.000 2.388 170 L HA 0.200 4.540 4.340 0.000 0.000 0.209 170 L C 1.990 178.862 176.870 0.004 0.000 1.061 170 L CA 1.041 55.884 54.840 0.004 0.000 0.834 170 L CB -0.298 41.764 42.059 0.005 0.000 1.029 170 L HN -0.007 nan 8.230 nan 0.000 0.473 171 A N -0.034 122.788 122.820 0.005 0.000 1.883 171 A HA -0.229 4.091 4.320 0.000 0.000 0.217 171 A C 2.078 179.664 177.584 0.003 0.000 1.186 171 A CA 1.987 54.027 52.037 0.005 0.000 0.624 171 A CB -0.703 18.301 19.000 0.007 0.000 0.822 171 A HN 0.601 nan 8.150 nan 0.000 0.444 172 E N -0.203 119.999 120.200 0.003 0.000 2.070 172 E HA -0.199 4.151 4.350 0.000 0.000 0.197 172 E C 1.932 178.532 176.600 0.000 0.000 1.004 172 E CA 1.358 57.759 56.400 0.002 0.000 0.805 172 E CB -0.397 29.304 29.700 0.002 0.000 0.744 172 E HN 0.693 nan 8.360 nan 0.000 0.451 173 I N 1.000 121.570 120.570 0.001 0.000 2.163 173 I HA -0.302 3.868 4.170 0.000 0.000 0.243 173 I C 2.454 178.569 176.117 -0.003 0.000 1.085 173 I CA 1.223 62.523 61.300 -0.000 0.000 1.347 173 I CB -0.354 37.647 38.000 0.002 0.000 1.044 173 I HN 0.131 nan 8.210 nan 0.000 0.408 174 I N 0.021 120.590 120.570 -0.002 0.000 2.142 174 I HA -0.263 3.907 4.170 0.000 0.000 0.240 174 I C 2.582 178.696 176.117 -0.006 0.000 1.078 174 I CA 1.225 62.522 61.300 -0.004 0.000 1.343 174 I CB -0.456 37.543 38.000 -0.002 0.000 1.046 174 I HN -0.004 nan 8.210 nan 0.000 0.405 175 V N 1.121 121.032 119.914 -0.004 0.000 2.231 175 V HA -0.385 3.736 4.120 0.000 0.000 0.250 175 V C 2.560 178.649 176.094 -0.008 0.000 1.058 175 V CA 2.558 64.855 62.300 -0.005 0.000 1.022 175 V CB -0.828 30.994 31.823 -0.002 0.000 0.640 175 V HN 0.554 nan 8.190 nan 0.000 0.445 176 E N 0.463 120.658 120.200 -0.008 0.000 2.097 176 E HA -0.257 4.093 4.350 0.000 0.000 0.196 176 E C 2.012 178.601 176.600 -0.018 0.000 1.000 176 E CA 1.877 58.270 56.400 -0.012 0.000 0.804 176 E CB -0.370 29.324 29.700 -0.009 0.000 0.740 176 E HN 0.579 nan 8.360 nan 0.000 0.454 177 A N 0.013 122.823 122.820 -0.016 0.000 2.067 177 A HA 0.016 4.336 4.320 0.000 0.000 0.217 177 A C 2.275 179.845 177.584 -0.024 0.000 1.156 177 A CA 0.929 52.953 52.037 -0.021 0.000 0.683 177 A CB -0.033 18.957 19.000 -0.017 0.000 0.808 177 A HN 0.234 nan 8.150 nan 0.000 0.455 178 V N -0.489 119.413 119.914 -0.019 0.000 2.649 178 V HA -0.115 4.005 4.120 0.000 0.000 0.248 178 V C 2.607 178.689 176.094 -0.021 0.000 1.054 178 V CA 1.960 64.249 62.300 -0.018 0.000 1.073 178 V CB -0.293 31.522 31.823 -0.012 0.000 0.699 178 V HN 0.524 nan 8.190 nan 0.000 0.463 179 S N 0.621 116.309 115.700 -0.021 0.000 2.399 179 S HA -0.133 4.337 4.470 0.000 0.000 0.231 179 S C 2.225 176.804 174.600 -0.036 0.000 1.022 179 S CA 1.320 59.506 58.200 -0.022 0.000 0.983 179 S CB -0.357 62.833 63.200 -0.018 0.000 0.803 179 S HN 0.637 nan 8.310 nan 0.000 0.480 180 A N 1.401 124.192 122.820 -0.047 0.000 1.877 180 A HA -0.057 4.263 4.320 0.000 0.000 0.216 180 A C 2.172 179.710 177.584 -0.076 0.000 1.186 180 A CA 1.698 53.689 52.037 -0.077 0.000 0.620 180 A CB -0.848 18.105 19.000 -0.078 0.000 0.822 180 A HN 0.619 nan 8.150 nan 0.000 0.443 181 V N -1.802 118.082 119.914 -0.051 0.000 3.636 181 V HA 0.234 4.354 4.120 0.000 0.000 0.279 181 V C 0.480 176.557 176.094 -0.028 0.000 1.263 181 V CA -0.302 61.973 62.300 -0.042 0.000 1.182 181 V CB -1.152 30.651 31.823 -0.033 0.000 0.955 181 V HN 0.099 nan 8.190 nan 0.000 0.443 182 V N 4.023 123.921 119.914 -0.026 0.000 2.485 182 V HA 0.117 4.238 4.120 0.000 0.000 0.287 182 V C 0.519 176.610 176.094 -0.005 0.000 1.022 182 V CA 0.232 62.524 62.300 -0.013 0.000 1.067 182 V CB 0.543 32.360 31.823 -0.010 0.000 0.967 182 V HN 0.813 nan 8.190 nan 0.000 0.479 183 D N 4.617 125.017 120.400 -0.001 0.000 2.468 183 D HA 0.046 4.686 4.640 0.000 0.000 0.218 183 D C -0.294 176.011 176.300 0.010 0.000 1.155 183 D CA -0.629 53.374 54.000 0.006 0.000 0.924 183 D CB 0.465 41.268 40.800 0.004 0.000 1.029 183 D HN 0.424 nan 8.370 nan 0.000 0.515 184 D N 2.906 123.316 120.400 0.016 0.000 2.451 184 D HA 0.039 4.679 4.640 0.000 0.000 0.254 184 D C 0.409 176.717 176.300 0.014 0.000 1.204 184 D CA 0.550 54.560 54.000 0.016 0.000 0.896 184 D CB 0.680 41.495 40.800 0.024 0.000 1.136 184 D HN 0.540 nan 8.370 nan 0.000 0.499 185 E N 0.448 120.654 120.200 0.010 0.000 2.277 185 E HA 0.677 5.027 4.350 0.000 0.000 0.266 185 E C 0.338 176.941 176.600 0.005 0.000 0.901 185 E CA -1.339 55.066 56.400 0.007 0.000 0.782 185 E CB 2.089 31.793 29.700 0.007 0.000 1.228 185 E HN 0.410 nan 8.360 nan 0.000 0.424 186 G N 1.770 110.572 108.800 0.004 0.000 5.253 186 G HA2 0.076 4.037 3.960 0.000 0.000 0.238 186 G HA3 0.076 4.037 3.960 0.000 0.000 0.238 186 G C -0.290 174.611 174.900 0.001 0.000 0.867 186 G CA -0.418 44.684 45.100 0.003 0.000 0.717 186 G HN 0.063 nan 8.290 nan 0.000 0.405 187 K N 0.238 120.639 120.400 0.000 0.000 2.185 187 K HA 0.708 5.028 4.320 0.000 0.000 0.240 187 K C -0.519 176.079 176.600 -0.004 0.000 0.983 187 K CA -0.911 55.375 56.287 -0.002 0.000 0.873 187 K CB 2.406 34.905 32.500 -0.002 0.000 1.118 187 K HN -0.069 nan 8.250 nan 0.000 0.441 188 V N 1.374 121.285 119.914 -0.005 0.000 2.370 188 V HA 0.074 4.194 4.120 0.000 0.000 0.283 188 V C -0.352 175.737 176.094 -0.008 0.000 1.023 188 V CA -0.817 61.478 62.300 -0.008 0.000 0.857 188 V CB 1.274 33.092 31.823 -0.008 0.000 0.985 188 V HN 0.596 nan 8.190 nan 0.000 0.443 189 D N 3.817 124.211 120.400 -0.010 0.000 2.422 189 D HA 0.208 4.849 4.640 0.000 0.000 0.227 189 D C 1.038 177.330 176.300 -0.013 0.000 1.190 189 D CA -0.265 53.729 54.000 -0.011 0.000 0.905 189 D CB 1.195 41.989 40.800 -0.011 0.000 1.034 189 D HN 0.367 nan 8.370 nan 0.000 0.507 190 K N 1.398 121.791 120.400 -0.011 0.000 2.442 190 K HA -0.095 4.225 4.320 0.000 0.000 0.200 190 K C 0.613 177.204 176.600 -0.015 0.000 1.045 190 K CA 0.906 57.186 56.287 -0.012 0.000 0.937 190 K CB 0.242 32.737 32.500 -0.010 0.000 0.757 190 K HN 0.381 nan 8.250 nan 0.000 0.474 191 D N -0.566 119.825 120.400 -0.016 0.000 2.349 191 D HA 0.057 4.697 4.640 0.000 0.000 0.214 191 D C 1.112 177.398 176.300 -0.023 0.000 1.063 191 D CA 0.319 54.307 54.000 -0.019 0.000 0.847 191 D CB 0.325 41.115 40.800 -0.017 0.000 0.933 191 D HN 0.165 nan 8.370 nan 0.000 0.513 192 L N 0.197 121.406 121.223 -0.023 0.000 2.446 192 L HA 0.191 4.531 4.340 0.000 0.000 0.219 192 L C 0.722 177.573 176.870 -0.032 0.000 1.116 192 L CA 0.346 55.170 54.840 -0.027 0.000 0.844 192 L CB 0.320 42.365 42.059 -0.025 0.000 0.970 192 L HN -0.150 nan 8.230 nan 0.000 0.457 193 I N 1.060 121.613 120.570 -0.029 0.000 2.287 193 I HA 0.094 4.264 4.170 0.000 0.000 0.290 193 I C 0.382 176.479 176.117 -0.032 0.000 1.069 193 I CA -0.170 61.112 61.300 -0.030 0.000 1.237 193 I CB 0.712 38.697 38.000 -0.025 0.000 1.418 193 I HN 0.006 nan 8.210 nan 0.000 0.481 194 K N 7.306 127.682 120.400 -0.041 0.000 2.322 194 K HA 0.419 4.739 4.320 0.000 0.000 0.283 194 K C -0.700 175.874 176.600 -0.043 0.000 1.042 194 K CA -0.237 56.023 56.287 -0.046 0.000 0.958 194 K CB 0.814 33.278 32.500 -0.061 0.000 0.984 194 K HN 0.576 nan 8.250 nan 0.000 0.473 195 I N 3.942 124.489 120.570 -0.039 0.000 2.355 195 I HA 0.158 4.328 4.170 0.000 0.000 0.288 195 I C -0.528 175.565 176.117 -0.039 0.000 0.999 195 I CA -0.743 60.537 61.300 -0.033 0.000 1.163 195 I CB 1.686 39.672 38.000 -0.023 0.000 1.316 195 I HN 0.653 nan 8.210 nan 0.000 0.454 196 E N 6.785 126.958 120.200 -0.044 0.000 2.183 196 E HA 0.429 4.779 4.350 0.000 0.000 0.271 196 E C -1.234 175.346 176.600 -0.034 0.000 0.919 196 E CA -0.658 55.712 56.400 -0.051 0.000 0.781 196 E CB 1.388 31.039 29.700 -0.081 0.000 1.140 196 E HN 0.309 nan 8.360 nan 0.000 0.402 197 K N 4.044 124.426 120.400 -0.031 0.000 2.394 197 K HA 0.519 4.839 4.320 0.000 0.000 0.260 197 K C -0.765 175.825 176.600 -0.017 0.000 0.967 197 K CA -1.027 55.248 56.287 -0.021 0.000 0.855 197 K CB 1.563 34.049 32.500 -0.023 0.000 1.101 197 K HN 0.188 nan 8.250 nan 0.000 0.433 198 K N 1.548 121.946 120.400 -0.004 0.000 2.513 198 K HA 0.151 4.471 4.320 0.000 0.000 0.251 198 K C 0.791 177.398 176.600 0.012 0.000 0.939 198 K CA -0.405 55.886 56.287 0.007 0.000 0.793 198 K CB 2.082 34.598 32.500 0.027 0.000 1.241 198 K HN 0.719 nan 8.250 nan 0.000 0.431 199 S N 1.890 117.594 115.700 0.006 0.000 2.502 199 S HA -0.122 4.348 4.470 0.000 0.000 0.219 199 S C 1.043 175.650 174.600 0.011 0.000 1.064 199 S CA 1.152 59.354 58.200 0.004 0.000 1.173 199 S CB -0.990 62.209 63.200 -0.002 0.000 1.118 199 S HN 1.125 nan 8.310 nan 0.000 0.406 200 G N 0.810 109.619 108.800 0.014 0.000 2.915 200 G HA2 0.211 4.172 3.960 0.000 0.000 0.337 200 G HA3 0.211 4.172 3.960 0.000 0.000 0.337 200 G C 0.067 174.973 174.900 0.010 0.000 1.477 200 G CA -0.045 45.063 45.100 0.015 0.000 0.916 200 G HN 1.778 nan 8.290 nan 0.000 0.550 201 A N 0.219 123.044 122.820 0.009 0.000 3.215 201 A HA 0.746 5.066 4.320 0.000 0.000 0.269 201 A C 1.086 178.674 177.584 0.007 0.000 1.517 201 A CA 1.274 53.316 52.037 0.007 0.000 1.221 201 A CB -0.048 18.955 19.000 0.005 0.000 1.160 201 A HN 1.992 nan 8.150 nan 0.000 0.620 202 S N 0.307 116.012 115.700 0.009 0.000 3.128 202 S HA 0.293 4.763 4.470 0.000 0.000 0.171 202 S C 1.446 176.051 174.600 0.008 0.000 0.707 202 S CA 0.822 59.027 58.200 0.009 0.000 0.851 202 S CB -0.429 62.778 63.200 0.012 0.000 0.872 202 S HN 0.779 nan 8.310 nan 0.000 0.724 203 I N 1.269 121.844 120.570 0.009 0.000 3.986 203 I HA -0.414 3.757 4.170 0.000 0.000 0.129 203 I C 0.970 177.092 176.117 0.008 0.000 0.493 203 I CA 2.166 63.471 61.300 0.009 0.000 1.177 203 I CB -1.166 36.839 38.000 0.008 0.000 1.035 203 I HN 0.439 nan 8.210 nan 0.000 0.211 204 D N 0.608 121.012 120.400 0.007 0.000 2.277 204 D HA -0.065 4.575 4.640 0.000 0.000 0.208 204 D C 1.391 177.696 176.300 0.008 0.000 0.962 204 D CA 0.968 54.971 54.000 0.006 0.000 0.865 204 D CB -0.170 40.633 40.800 0.003 0.000 0.939 204 D HN 0.443 nan 8.370 nan 0.000 0.510 205 D N 0.015 120.421 120.400 0.010 0.000 2.363 205 D HA -0.043 4.597 4.640 0.000 0.000 0.226 205 D C 0.495 176.807 176.300 0.019 0.000 1.020 205 D CA 0.319 54.327 54.000 0.014 0.000 0.892 205 D CB -0.352 40.458 40.800 0.016 0.000 0.900 205 D HN 0.217 nan 8.370 nan 0.000 0.531 206 T N -0.009 114.554 114.554 0.016 0.000 2.928 206 T HA 0.209 4.559 4.350 0.000 0.000 0.305 206 T C 0.159 174.870 174.700 0.018 0.000 1.035 206 T CA -0.391 61.720 62.100 0.017 0.000 1.145 206 T CB 1.010 69.886 68.868 0.012 0.000 0.963 206 T HN 0.250 nan 8.240 nan 0.000 0.545 207 E N 2.047 122.260 120.200 0.023 0.000 2.429 207 E HA 0.558 4.908 4.350 0.000 0.000 0.276 207 E C -1.522 175.091 176.600 0.021 0.000 0.953 207 E CA -1.358 55.056 56.400 0.024 0.000 0.787 207 E CB 1.280 31.001 29.700 0.034 0.000 1.307 207 E HN 0.473 nan 8.360 nan 0.000 0.458 208 L N 1.900 123.133 121.223 0.017 0.000 2.290 208 L HA 0.450 4.790 4.340 0.000 0.000 0.284 208 L C -0.947 175.936 176.870 0.022 0.000 1.078 208 L CA -0.304 54.543 54.840 0.012 0.000 0.815 208 L CB 0.672 42.734 42.059 0.004 0.000 1.162 208 L HN 0.588 nan 8.230 nan 0.000 0.435 209 I N 5.539 126.121 120.570 0.019 0.000 2.382 209 I HA 0.247 4.417 4.170 0.000 0.000 0.285 209 I C 0.061 176.183 176.117 0.008 0.000 1.007 209 I CA -0.622 60.697 61.300 0.030 0.000 1.142 209 I CB 1.004 39.030 38.000 0.043 0.000 1.289 209 I HN 0.528 nan 8.210 nan 0.000 0.453 210 K N 5.797 126.203 120.400 0.011 0.000 2.155 210 K HA 0.424 4.744 4.320 0.000 0.000 0.240 210 K C 0.386 176.986 176.600 -0.001 0.000 1.193 210 K CA -0.194 56.090 56.287 -0.004 0.000 1.104 210 K CB 0.345 32.843 32.500 -0.004 0.000 1.558 210 K HN 0.899 nan 8.250 nan 0.000 0.313 211 G N -0.412 108.379 108.800 -0.014 0.000 2.498 211 G HA2 0.192 4.152 3.960 0.000 0.000 0.181 211 G HA3 0.192 4.152 3.960 0.000 0.000 0.181 211 G C -1.557 173.311 174.900 -0.053 0.000 1.169 211 G CA -0.654 44.433 45.100 -0.021 0.000 0.992 211 G HN 0.105 nan 8.290 nan 0.000 0.490 212 V N 0.259 120.127 119.914 -0.076 0.000 2.876 212 V HA 0.713 4.833 4.120 0.000 0.000 0.312 212 V C -1.005 174.986 176.094 -0.171 0.000 1.085 212 V CA -0.686 61.538 62.300 -0.127 0.000 0.945 212 V CB 1.868 33.591 31.823 -0.165 0.000 1.017 212 V HN 0.699 nan 8.190 nan 0.000 0.428 213 L N 3.912 125.005 121.223 -0.217 0.000 2.272 213 L HA 0.658 4.998 4.340 0.000 0.000 0.289 213 L C -0.436 176.290 176.870 -0.241 0.000 1.032 213 L CA 0.085 54.730 54.840 -0.326 0.000 0.810 213 L CB 1.635 43.457 42.059 -0.396 0.000 1.205 213 L HN 0.543 nan 8.230 nan 0.000 0.422 214 V N 3.022 122.812 119.914 -0.206 0.000 2.384 214 V HA 0.278 4.398 4.120 0.000 0.000 0.287 214 V C -0.115 175.939 176.094 -0.066 0.000 1.020 214 V CA -0.726 61.502 62.300 -0.121 0.000 0.850 214 V CB 1.503 33.271 31.823 -0.091 0.000 0.987 214 V HN 0.591 nan 8.190 nan 0.000 0.436 215 D N 4.161 124.529 120.400 -0.053 0.000 3.032 215 D HA 0.195 4.835 4.640 0.000 0.000 0.241 215 D C 0.332 176.640 176.300 0.014 0.000 1.196 215 D CA 0.289 54.275 54.000 -0.024 0.000 0.927 215 D CB 0.007 40.788 40.800 -0.031 0.000 1.129 215 D HN 0.384 nan 8.370 nan 0.000 0.458 216 K N 0.303 120.730 120.400 0.046 0.000 2.261 216 K HA 0.524 4.844 4.320 0.000 0.000 0.242 216 K C -0.131 176.518 176.600 0.081 0.000 1.083 216 K CA -0.748 55.581 56.287 0.069 0.000 0.880 216 K CB 1.451 34.012 32.500 0.102 0.000 1.353 216 K HN 0.237 nan 8.250 nan 0.000 0.486 217 E N -0.096 120.146 120.200 0.070 0.000 2.356 217 E HA 0.419 4.769 4.350 0.000 0.000 0.275 217 E C -1.085 175.537 176.600 0.038 0.000 0.904 217 E CA -1.233 55.204 56.400 0.061 0.000 0.757 217 E CB 1.337 31.066 29.700 0.049 0.000 1.232 217 E HN 0.380 nan 8.360 nan 0.000 0.442 218 R N 0.686 121.200 120.500 0.024 0.000 2.481 218 R HA -0.036 4.304 4.340 0.000 0.000 0.291 218 R C 0.682 176.979 176.300 -0.005 0.000 0.934 218 R CA 0.021 56.116 56.100 -0.009 0.000 1.116 218 R CB -0.026 30.266 30.300 -0.013 0.000 0.895 218 R HN 0.477 nan 8.270 nan 0.000 0.410 219 V N 1.722 121.627 119.914 -0.015 0.000 2.626 219 V HA -0.127 3.993 4.120 0.000 0.000 0.252 219 V C 0.489 176.579 176.094 -0.006 0.000 1.067 219 V CA 2.114 64.410 62.300 -0.007 0.000 1.081 219 V CB 0.177 31.994 31.823 -0.009 0.000 0.686 219 V HN 0.838 nan 8.190 nan 0.000 0.468 220 S N -1.430 114.264 115.700 -0.011 0.000 2.473 220 S HA 0.659 5.129 4.470 0.000 0.000 0.307 220 S C 0.855 175.453 174.600 -0.004 0.000 1.094 220 S CA -0.158 58.039 58.200 -0.005 0.000 1.070 220 S CB 1.685 64.882 63.200 -0.005 0.000 1.019 220 S HN 0.535 nan 8.310 nan 0.000 0.480 221 A N 3.559 126.379 122.820 0.001 0.000 2.121 221 A HA -0.050 4.270 4.320 0.000 0.000 0.218 221 A C 1.831 179.416 177.584 0.001 0.000 1.154 221 A CA 1.176 53.214 52.037 0.002 0.000 0.679 221 A CB -0.415 18.587 19.000 0.003 0.000 0.795 221 A HN 0.874 nan 8.150 nan 0.000 0.458 222 Q N -0.941 118.860 119.800 0.002 0.000 2.432 222 Q HA 0.104 4.444 4.340 0.000 0.000 0.205 222 Q C 0.473 176.469 176.000 -0.006 0.000 0.945 222 Q CA -0.073 55.732 55.803 0.003 0.000 0.924 222 Q CB -0.095 28.652 28.738 0.014 0.000 1.016 222 Q HN 0.705 nan 8.270 nan 0.000 0.503 223 M N 1.652 121.245 119.600 -0.012 0.000 2.207 223 M HA 0.167 4.647 4.480 0.000 0.000 0.311 223 M C -2.036 174.254 176.300 -0.017 0.000 1.127 223 M CA -1.720 53.568 55.300 -0.021 0.000 1.181 223 M CB 0.043 32.624 32.600 -0.031 0.000 1.409 223 M HN -0.100 nan 8.290 nan 0.000 0.461 224 P HA 0.009 nan 4.420 nan 0.000 0.267 224 P C -0.613 176.681 177.300 -0.010 0.000 1.200 224 P CA 0.306 63.398 63.100 -0.014 0.000 0.772 224 P CB 0.426 32.116 31.700 -0.016 0.000 0.855 225 K N 1.102 121.500 120.400 -0.004 0.000 2.438 225 K HA 0.175 4.495 4.320 0.000 0.000 0.205 225 K C -0.010 176.593 176.600 0.005 0.000 1.033 225 K CA -0.026 56.263 56.287 0.003 0.000 1.089 225 K CB 0.253 32.755 32.500 0.003 0.000 0.857 225 K HN 0.244 nan 8.250 nan 0.000 0.522 226 K N 0.398 120.799 120.400 0.002 0.000 2.557 226 K HA 0.306 4.626 4.320 0.000 0.000 0.257 226 K C -1.897 174.707 176.600 0.006 0.000 0.933 226 K CA -0.766 55.525 56.287 0.006 0.000 0.820 226 K CB 2.137 34.636 32.500 -0.003 0.000 1.330 226 K HN -0.145 nan 8.250 nan 0.000 0.432 227 V N 2.285 122.208 119.914 0.015 0.000 2.760 227 V HA 0.487 4.607 4.120 0.000 0.000 0.309 227 V C -0.509 175.598 176.094 0.022 0.000 1.077 227 V CA -0.783 61.526 62.300 0.014 0.000 0.910 227 V CB 1.943 33.774 31.823 0.013 0.000 1.008 227 V HN 0.966 nan 8.190 nan 0.000 0.424 228 T N -0.644 113.920 114.554 0.017 0.000 2.918 228 T HA 0.519 4.869 4.350 0.000 0.000 0.286 228 T C -0.117 174.597 174.700 0.022 0.000 1.026 228 T CA -0.491 61.622 62.100 0.021 0.000 1.031 228 T CB 1.429 70.306 68.868 0.014 0.000 1.046 228 T HN 0.722 nan 8.240 nan 0.000 0.479 229 D N -0.208 120.208 120.400 0.027 0.000 2.737 229 D HA -0.170 4.471 4.640 0.000 0.000 0.233 229 D C 0.590 176.908 176.300 0.029 0.000 1.155 229 D CA 1.034 55.051 54.000 0.027 0.000 0.667 229 D CB -1.464 39.349 40.800 0.020 0.000 1.060 229 D HN 1.062 nan 8.370 nan 0.000 0.427 230 A N 0.237 123.079 122.820 0.036 0.000 2.406 230 A HA 0.255 4.575 4.320 0.000 0.000 0.243 230 A C 0.791 178.400 177.584 0.042 0.000 1.082 230 A CA 0.333 52.392 52.037 0.037 0.000 0.786 230 A CB 0.766 19.794 19.000 0.046 0.000 1.029 230 A HN 0.083 nan 8.150 nan 0.000 0.495 231 K N 1.521 121.942 120.400 0.035 0.000 2.339 231 K HA 0.469 4.790 4.320 0.000 0.000 0.264 231 K C -1.267 175.361 176.600 0.047 0.000 0.986 231 K CA -0.049 56.261 56.287 0.038 0.000 0.866 231 K CB 1.290 33.805 32.500 0.026 0.000 1.103 231 K HN 0.623 nan 8.250 nan 0.000 0.441 232 I N 2.363 122.976 120.570 0.071 0.000 2.336 232 I HA 0.267 4.437 4.170 0.000 0.000 0.292 232 I C 0.064 176.240 176.117 0.097 0.000 0.991 232 I CA -0.680 60.685 61.300 0.108 0.000 1.227 232 I CB 1.719 39.831 38.000 0.188 0.000 1.366 232 I HN 0.501 nan 8.210 nan 0.000 0.466 233 A N 7.681 130.552 122.820 0.085 0.000 2.256 233 A HA 0.691 5.012 4.320 0.000 0.000 0.317 233 A C -0.795 176.853 177.584 0.108 0.000 1.318 233 A CA -0.458 51.622 52.037 0.072 0.000 0.894 233 A CB 0.344 19.365 19.000 0.036 0.000 1.165 233 A HN 0.572 nan 8.150 nan 0.000 0.525 234 L N 3.050 124.340 121.223 0.111 0.000 2.260 234 L HA 0.367 4.707 4.340 0.000 0.000 0.289 234 L C -0.173 176.745 176.870 0.080 0.000 1.057 234 L CA 0.382 55.297 54.840 0.125 0.000 0.811 234 L CB 1.061 43.179 42.059 0.098 0.000 1.184 234 L HN 0.624 nan 8.230 nan 0.000 0.429 235 L N 3.783 125.055 121.223 0.081 0.000 2.276 235 L HA 0.340 4.680 4.340 0.000 0.000 0.286 235 L C 1.036 177.935 176.870 0.049 0.000 1.024 235 L CA -0.365 54.507 54.840 0.054 0.000 0.826 235 L CB 1.149 43.234 42.059 0.044 0.000 1.211 235 L HN 0.601 nan 8.230 nan 0.000 0.422 236 N N 1.496 120.218 118.700 0.036 0.000 2.521 236 N HA -0.048 4.693 4.740 0.000 0.000 0.188 236 N C 0.255 175.780 175.510 0.025 0.000 1.146 236 N CA 0.103 53.170 53.050 0.029 0.000 0.893 236 N CB 0.103 38.603 38.487 0.022 0.000 0.975 236 N HN 0.515 nan 8.380 nan 0.000 0.451 237 C N -0.159 119.157 119.300 0.026 0.000 2.365 237 C HA 0.788 5.249 4.460 0.000 0.000 0.374 237 C C 0.015 175.019 174.990 0.024 0.000 1.318 237 C CA -0.642 58.390 59.018 0.022 0.000 2.239 237 C CB 0.351 28.103 27.740 0.020 0.000 2.144 237 C HN 0.418 nan 8.230 nan 0.000 0.581 238 A N 2.522 125.355 122.820 0.022 0.000 2.285 238 A HA 0.635 4.955 4.320 0.000 0.000 0.310 238 A C -0.437 177.161 177.584 0.023 0.000 1.266 238 A CA -0.375 51.676 52.037 0.022 0.000 0.832 238 A CB 0.108 19.120 19.000 0.020 0.000 1.163 238 A HN 0.755 nan 8.150 nan 0.000 0.499 239 I N 2.813 123.399 120.570 0.026 0.000 2.349 239 I HA 0.077 4.247 4.170 0.000 0.000 0.302 239 I C 0.552 176.689 176.117 0.034 0.000 1.180 239 I CA -0.058 61.261 61.300 0.031 0.000 1.405 239 I CB -0.195 37.825 38.000 0.033 0.000 1.474 239 I HN 0.604 nan 8.210 nan 0.000 0.632 264 T N -4.363 110.218 114.554 0.044 0.000 3.442 264 T HA 0.694 5.045 4.350 0.000 0.000 0.135 264 T C 1.028 175.745 174.700 0.029 0.000 0.806 264 T CA 1.848 63.966 62.100 0.031 0.000 0.810 264 T CB 0.312 69.198 68.868 0.029 0.000 1.131 264 T HN 2.164 nan 8.240 nan 0.000 0.264 265 A N -0.001 122.841 122.820 0.036 0.000 2.441 265 A HA 0.682 5.003 4.320 0.000 0.000 0.209 265 A C 0.482 178.090 177.584 0.041 0.000 1.645 265 A CA 0.566 52.622 52.037 0.031 0.000 1.362 265 A CB -0.131 18.879 19.000 0.017 0.000 1.035 265 A HN 0.658 nan 8.150 nan 0.000 0.487 266 S N 1.368 117.102 115.700 0.056 0.000 3.041 266 S HA 0.289 4.759 4.470 0.000 0.000 0.250 266 S C 0.372 175.015 174.600 0.072 0.000 0.898 266 S CA 0.794 59.027 58.200 0.055 0.000 1.100 266 S CB -0.595 62.625 63.200 0.035 0.000 1.149 266 S HN 1.199 nan 8.310 nan 0.000 0.540 267 E N 0.293 120.570 120.200 0.129 0.000 2.238 267 E HA -0.258 4.092 4.350 0.000 0.000 0.219 267 E C 0.184 176.814 176.600 0.050 0.000 1.275 267 E CA 0.891 57.384 56.400 0.155 0.000 0.714 267 E CB -2.042 27.737 29.700 0.132 0.000 1.154 267 E HN 0.682 nan 8.360 nan 0.000 0.363 268 M N 0.268 119.902 119.600 0.057 0.000 2.747 268 M HA 0.002 4.482 4.480 0.000 0.000 0.221 268 M C 0.504 176.818 176.300 0.023 0.000 1.107 268 M CA 0.493 55.809 55.300 0.026 0.000 1.031 268 M CB 0.184 32.802 32.600 0.029 0.000 1.727 268 M HN 0.315 nan 8.290 nan 0.000 0.517 269 L N -1.676 119.565 121.223 0.031 0.000 2.878 269 L HA 0.168 4.508 4.340 0.000 0.000 0.253 269 L C 1.549 178.366 176.870 -0.088 0.000 1.135 269 L CA 0.653 55.526 54.840 0.056 0.000 0.943 269 L CB -0.554 41.634 42.059 0.215 0.000 1.307 269 L HN 0.172 nan 8.230 nan 0.000 0.545 270 K N 0.350 120.562 120.400 -0.313 0.000 2.283 270 K HA -0.118 4.202 4.320 0.000 0.000 0.202 270 K C 1.222 177.705 176.600 -0.194 0.000 1.048 270 K CA 1.006 57.035 56.287 -0.431 0.000 0.948 270 K CB 0.245 32.448 32.500 -0.496 0.000 0.742 270 K HN 0.237 nan 8.250 nan 0.000 0.458 271 D N 1.121 121.451 120.400 -0.118 0.000 2.081 271 D HA -0.152 4.488 4.640 0.000 0.000 0.194 271 D C 1.821 178.095 176.300 -0.044 0.000 0.986 271 D CA 1.406 55.367 54.000 -0.065 0.000 0.837 271 D CB -0.274 40.502 40.800 -0.040 0.000 0.985 271 D HN 0.079 nan 8.370 nan 0.000 0.448 272 M N 0.315 119.900 119.600 -0.024 0.000 2.144 272 M HA -0.149 4.331 4.480 0.000 0.000 0.260 272 M C 2.182 178.480 176.300 -0.005 0.000 1.067 272 M CA 0.973 56.270 55.300 -0.004 0.000 1.095 272 M CB -0.099 32.511 32.600 0.016 0.000 1.365 272 M HN -0.102 nan 8.290 nan 0.000 0.406 273 V N -0.522 119.385 119.914 -0.012 0.000 2.719 273 V HA -0.091 4.029 4.120 0.000 0.000 0.252 273 V C 2.209 178.286 176.094 -0.029 0.000 1.065 273 V CA 1.660 63.958 62.300 -0.003 0.000 1.086 273 V CB -0.725 31.116 31.823 0.031 0.000 0.700 273 V HN 0.505 nan 8.190 nan 0.000 0.467 274 A N -0.768 122.021 122.820 -0.052 0.000 2.220 274 A HA 0.092 4.412 4.320 0.000 0.000 0.211 274 A C 1.955 179.520 177.584 -0.032 0.000 1.176 274 A CA 0.240 52.248 52.037 -0.048 0.000 0.834 274 A CB -0.101 18.858 19.000 -0.069 0.000 0.868 274 A HN 0.531 nan 8.150 nan 0.000 0.488 275 E N -0.077 120.107 120.200 -0.026 0.000 2.216 275 E HA -0.025 4.326 4.350 0.000 0.000 0.192 275 E C 1.391 177.985 176.600 -0.010 0.000 0.988 275 E CA 0.802 57.192 56.400 -0.016 0.000 0.834 275 E CB -0.102 29.590 29.700 -0.013 0.000 0.772 275 E HN 0.697 nan 8.360 nan 0.000 0.479 276 I N 0.914 121.478 120.570 -0.009 0.000 2.480 276 I HA -0.150 4.020 4.170 0.000 0.000 0.251 276 I C 2.422 178.534 176.117 -0.008 0.000 1.124 276 I CA 0.711 62.008 61.300 -0.005 0.000 1.444 276 I CB -0.014 37.983 38.000 -0.004 0.000 1.098 276 I HN -0.075 nan 8.210 nan 0.000 0.428 277 K N 1.546 121.938 120.400 -0.013 0.000 2.439 277 K HA -0.030 4.290 4.320 0.000 0.000 0.197 277 K C 1.999 178.592 176.600 -0.012 0.000 1.041 277 K CA 0.841 57.120 56.287 -0.014 0.000 0.970 277 K CB 0.123 32.611 32.500 -0.019 0.000 0.773 277 K HN 0.282 nan 8.250 nan 0.000 0.479 278 A N 0.739 123.551 122.820 -0.012 0.000 1.968 278 A HA -0.098 4.222 4.320 0.000 0.000 0.217 278 A C 1.963 179.543 177.584 -0.006 0.000 1.169 278 A CA 1.698 53.729 52.037 -0.010 0.000 0.638 278 A CB -0.309 18.684 19.000 -0.011 0.000 0.812 278 A HN 0.443 nan 8.150 nan 0.000 0.446 279 S N -2.083 113.615 115.700 -0.003 0.000 2.496 279 S HA 0.371 4.841 4.470 0.000 0.000 0.224 279 S C 1.352 175.953 174.600 0.002 0.000 0.996 279 S CA 0.992 59.193 58.200 0.001 0.000 0.927 279 S CB -0.118 63.085 63.200 0.005 0.000 0.774 279 S HN 1.867 nan 8.310 nan 0.000 0.524 280 G N 0.644 109.444 108.800 -0.000 0.000 2.131 280 G HA2 0.031 3.991 3.960 0.000 0.000 0.201 280 G HA3 0.031 3.991 3.960 0.000 0.000 0.201 280 G C 0.024 174.925 174.900 0.002 0.000 1.000 280 G CA -0.300 44.800 45.100 0.000 0.000 0.680 280 G HN 1.192 nan 8.290 nan 0.000 0.514 281 A N 0.550 123.371 122.820 0.001 0.000 2.269 281 A HA 0.639 4.959 4.320 0.000 0.000 0.302 281 A C 1.001 178.579 177.584 -0.010 0.000 1.266 281 A CA 0.256 52.294 52.037 0.001 0.000 0.894 281 A CB 0.245 19.248 19.000 0.005 0.000 1.147 281 A HN 0.888 nan 8.150 nan 0.000 0.537 282 N N 1.691 120.385 118.700 -0.010 0.000 2.268 282 N HA 0.169 4.909 4.740 0.000 0.000 0.204 282 N C -0.560 174.925 175.510 -0.042 0.000 1.124 282 N CA 0.047 53.084 53.050 -0.021 0.000 0.838 282 N CB 0.418 38.898 38.487 -0.012 0.000 0.994 282 N HN 0.213 nan 8.380 nan 0.000 0.489 283 V N 0.599 120.481 119.914 -0.053 0.000 2.851 283 V HA 0.492 4.612 4.120 0.000 0.000 0.307 283 V C -1.629 174.378 176.094 -0.145 0.000 1.129 283 V CA -1.022 61.204 62.300 -0.123 0.000 0.932 283 V CB 2.351 34.126 31.823 -0.081 0.000 1.024 283 V HN 0.160 nan 8.190 nan 0.000 0.426 284 L N 4.505 125.554 121.223 -0.290 0.000 2.470 284 L HA 0.736 5.077 4.340 0.000 0.000 0.268 284 L C -1.890 174.760 176.870 -0.366 0.000 0.964 284 L CA 0.083 54.801 54.840 -0.203 0.000 0.839 284 L CB 1.742 43.740 42.059 -0.102 0.000 1.276 284 L HN 0.472 nan 8.230 nan 0.000 0.403 285 F N 4.797 124.754 119.950 0.011 0.000 2.375 285 F HA 0.500 5.027 4.527 0.000 0.000 0.361 285 F C 0.153 175.958 175.800 0.008 0.000 1.117 285 F CA -0.344 57.661 58.000 0.009 0.000 1.037 285 F CB 1.431 40.435 39.000 0.007 0.000 1.192 285 F HN 0.487 nan 8.300 nan 0.000 0.452 286 C N 4.200 123.586 119.300 0.143 0.000 2.329 286 C HA 0.221 4.682 4.460 0.000 0.000 0.329 286 C C 1.591 176.634 174.990 0.087 0.000 1.275 286 C CA -0.347 58.726 59.018 0.091 0.000 1.726 286 C CB 0.827 28.596 27.740 0.049 0.000 2.291 286 C HN 1.039 nan 8.230 nan 0.000 0.514 287 Q N 3.198 123.038 119.800 0.067 0.000 2.187 287 Q HA 0.008 4.348 4.340 0.000 0.000 0.199 287 Q C 0.948 176.971 176.000 0.037 0.000 0.957 287 Q CA 1.117 56.949 55.803 0.049 0.000 0.857 287 Q CB 0.231 28.991 28.738 0.035 0.000 0.929 287 Q HN 0.631 nan 8.270 nan 0.000 0.453 288 K N -0.021 120.400 120.400 0.034 0.000 2.762 288 K HA 0.380 4.700 4.320 0.000 0.000 0.292 288 K C 0.186 176.803 176.600 0.027 0.000 1.008 288 K CA -0.003 56.300 56.287 0.027 0.000 1.142 288 K CB -0.560 31.954 32.500 0.023 0.000 1.490 288 K HN 0.148 nan 8.250 nan 0.000 0.581 289 G N 0.347 109.160 108.800 0.022 0.000 2.420 289 G HA2 0.532 4.492 3.960 0.000 0.000 0.284 289 G HA3 0.532 4.492 3.960 0.000 0.000 0.284 289 G C -0.468 174.445 174.900 0.021 0.000 1.177 289 G CA -0.595 44.517 45.100 0.021 0.000 0.841 289 G HN 0.302 nan 8.290 nan 0.000 0.527 290 I N 1.938 122.519 120.570 0.019 0.000 2.390 290 I HA 0.133 4.304 4.170 0.000 0.000 0.283 290 I C 0.005 176.132 176.117 0.017 0.000 1.016 290 I CA -0.695 60.617 61.300 0.019 0.000 1.151 290 I CB 1.379 39.388 38.000 0.015 0.000 1.293 290 I HN 0.429 nan 8.210 nan 0.000 0.458 291 D N 4.428 124.841 120.400 0.022 0.000 2.364 291 D HA -0.080 4.560 4.640 0.000 0.000 0.236 291 D C 0.574 176.878 176.300 0.008 0.000 1.221 291 D CA 0.314 54.324 54.000 0.017 0.000 0.891 291 D CB 1.178 41.993 40.800 0.026 0.000 1.190 291 D HN 0.473 nan 8.370 nan 0.000 0.449 292 D N 1.452 121.849 120.400 -0.005 0.000 2.269 292 D HA -0.061 4.579 4.640 0.000 0.000 0.208 292 D C 1.820 178.089 176.300 -0.052 0.000 0.963 292 D CA 0.378 54.363 54.000 -0.024 0.000 0.864 292 D CB 0.156 40.938 40.800 -0.030 0.000 0.936 292 D HN 0.350 nan 8.370 nan 0.000 0.505 293 L N 0.245 121.439 121.223 -0.048 0.000 2.095 293 L HA -0.002 4.338 4.340 0.000 0.000 0.204 293 L C 2.005 178.795 176.870 -0.133 0.000 1.080 293 L CA 0.782 55.550 54.840 -0.120 0.000 0.759 293 L CB -0.105 41.952 42.059 -0.003 0.000 0.914 293 L HN -0.050 nan 8.230 nan 0.000 0.439 294 A N -1.337 121.513 122.820 0.049 0.000 2.259 294 A HA -0.060 4.260 4.320 0.000 0.000 0.208 294 A C 1.903 179.518 177.584 0.052 0.000 1.201 294 A CA 0.413 52.530 52.037 0.133 0.000 0.824 294 A CB -0.165 18.912 19.000 0.128 0.000 0.838 294 A HN 0.471 nan 8.150 nan 0.000 0.485 295 Q N -1.720 118.080 119.800 -0.001 0.000 2.297 295 Q HA -0.028 4.312 4.340 0.000 0.000 0.203 295 Q C 1.857 177.850 176.000 -0.012 0.000 0.931 295 Q CA 0.693 56.493 55.803 -0.005 0.000 0.885 295 Q CB -0.086 28.648 28.738 -0.006 0.000 0.991 295 Q HN 0.946 nan 8.270 nan 0.000 0.498 296 H N -0.649 118.318 119.070 -0.172 0.000 2.448 296 H HA -0.062 4.494 4.556 0.000 0.000 0.292 296 H C 0.963 176.209 175.328 -0.137 0.000 1.035 296 H CA 0.951 56.877 56.048 -0.203 0.000 1.349 296 H CB 0.377 29.946 29.762 -0.321 0.000 1.425 296 H HN 0.223 nan 8.280 nan 0.000 0.539 297 Y N 0.732 120.926 120.300 -0.177 0.000 2.373 297 Y HA -0.040 4.510 4.550 0.000 0.000 0.293 297 Y C 2.653 178.462 175.900 -0.152 0.000 1.129 297 Y CA 0.380 58.357 58.100 -0.204 0.000 1.226 297 Y CB -0.265 38.154 38.460 -0.068 0.000 1.000 297 Y HN 0.151 nan 8.280 nan 0.000 0.549 298 L N -1.141 120.098 121.223 0.026 0.000 2.049 298 L HA -0.094 4.247 4.340 0.000 0.000 0.203 298 L C 2.652 179.495 176.870 -0.044 0.000 1.074 298 L CA 0.978 55.814 54.840 -0.008 0.000 0.749 298 L CB -0.813 41.240 42.059 -0.009 0.000 0.907 298 L HN 0.149 nan 8.230 nan 0.000 0.439 299 A N 0.004 122.786 122.820 -0.063 0.000 1.948 299 A HA -0.292 4.028 4.320 0.000 0.000 0.220 299 A C 2.334 179.872 177.584 -0.077 0.000 1.177 299 A CA 2.084 54.085 52.037 -0.060 0.000 0.636 299 A CB -0.490 18.484 19.000 -0.043 0.000 0.815 299 A HN 0.310 nan 8.150 nan 0.000 0.449 300 K N -0.844 119.473 120.400 -0.138 0.000 2.211 300 K HA -0.107 4.214 4.320 0.000 0.000 0.203 300 K C 1.580 178.144 176.600 -0.061 0.000 1.050 300 K CA 1.229 57.439 56.287 -0.128 0.000 0.945 300 K CB 0.017 32.381 32.500 -0.227 0.000 0.732 300 K HN 0.444 nan 8.250 nan 0.000 0.451 301 E N -1.169 119.003 120.200 -0.047 0.000 2.250 301 E HA 0.004 4.354 4.350 0.000 0.000 0.192 301 E C 1.085 177.669 176.600 -0.026 0.000 0.986 301 E CA 0.957 57.340 56.400 -0.030 0.000 0.849 301 E CB 0.792 30.479 29.700 -0.022 0.000 0.797 301 E HN 0.518 nan 8.360 nan 0.000 0.482 302 G N 1.503 110.285 108.800 -0.030 0.000 2.163 302 G HA2 -0.222 3.738 3.960 0.000 0.000 0.213 302 G HA3 -0.222 3.738 3.960 0.000 0.000 0.213 302 G C 0.278 175.160 174.900 -0.030 0.000 0.991 302 G CA 0.010 45.094 45.100 -0.026 0.000 0.653 302 G HN 0.182 nan 8.290 nan 0.000 0.518 303 I N 1.945 122.494 120.570 -0.036 0.000 2.352 303 I HA 0.399 4.569 4.170 0.000 0.000 0.290 303 I C 0.865 176.943 176.117 -0.065 0.000 1.036 303 I CA -1.063 60.209 61.300 -0.047 0.000 1.336 303 I CB 1.429 39.404 38.000 -0.042 0.000 1.407 303 I HN -0.083 nan 8.210 nan 0.000 0.497 304 V N 5.091 124.952 119.914 -0.087 0.000 2.607 304 V HA 0.748 4.869 4.120 0.000 0.000 0.289 304 V C 0.437 176.414 176.094 -0.195 0.000 1.053 304 V CA -0.432 61.797 62.300 -0.118 0.000 0.996 304 V CB 1.010 32.768 31.823 -0.110 0.000 0.995 304 V HN 0.894 nan 8.190 nan 0.000 0.476 305 A N 3.112 125.821 122.820 -0.186 0.000 2.549 305 A HA 0.952 5.273 4.320 0.000 0.000 0.297 305 A C -0.589 176.893 177.584 -0.170 0.000 1.061 305 A CA -0.239 51.666 52.037 -0.219 0.000 0.690 305 A CB 1.905 20.832 19.000 -0.121 0.000 1.287 305 A HN 1.672 nan 8.150 nan 0.000 0.402 306 A N 1.827 124.547 122.820 -0.168 0.000 2.374 306 A HA 0.772 5.093 4.320 0.000 0.000 0.305 306 A C -0.075 177.531 177.584 0.037 0.000 1.053 306 A CA -0.675 51.349 52.037 -0.021 0.000 0.726 306 A CB 0.927 19.975 19.000 0.081 0.000 1.229 306 A HN 1.212 nan 8.150 nan 0.000 0.431 307 R N 2.282 122.804 120.500 0.037 0.000 2.536 307 R HA 0.608 4.948 4.340 0.000 0.000 0.279 307 R C -0.621 175.709 176.300 0.051 0.000 1.001 307 R CA -0.454 55.670 56.100 0.041 0.000 1.027 307 R CB 0.555 30.869 30.300 0.024 0.000 1.096 307 R HN 0.784 nan 8.270 nan 0.000 0.502 308 R N 0.425 120.953 120.500 0.047 0.000 3.267 308 R HA -0.110 4.230 4.340 0.000 0.000 0.254 308 R C -0.588 175.739 176.300 0.046 0.000 0.993 308 R CA 0.673 56.797 56.100 0.040 0.000 0.670 308 R CB -1.920 28.397 30.300 0.028 0.000 1.125 308 R HN 0.466 nan 8.270 nan 0.000 0.434 309 V N 1.989 121.941 119.914 0.063 0.000 2.583 309 V HA 0.077 4.197 4.120 0.000 0.000 0.287 309 V C 1.288 177.395 176.094 0.022 0.000 1.051 309 V CA -0.363 61.970 62.300 0.055 0.000 1.010 309 V CB 1.360 33.235 31.823 0.087 0.000 0.988 309 V HN 0.116 nan 8.190 nan 0.000 0.478 310 K N 3.443 123.845 120.400 0.002 0.000 2.586 310 K HA -0.104 4.217 4.320 0.000 0.000 0.280 310 K C 1.276 177.868 176.600 -0.013 0.000 0.972 310 K CA 0.354 56.636 56.287 -0.009 0.000 1.040 310 K CB 0.425 32.913 32.500 -0.021 0.000 0.870 310 K HN 0.647 nan 8.250 nan 0.000 0.497 311 K N 1.962 122.357 120.400 -0.009 0.000 2.103 311 K HA -0.187 4.133 4.320 0.000 0.000 0.207 311 K C 1.827 178.414 176.600 -0.021 0.000 1.048 311 K CA 1.947 58.228 56.287 -0.010 0.000 0.930 311 K CB 0.021 32.518 32.500 -0.005 0.000 0.716 311 K HN 0.641 nan 8.250 nan 0.000 0.444 312 S N 0.484 116.169 115.700 -0.025 0.000 2.382 312 S HA -0.149 4.321 4.470 0.000 0.000 0.228 312 S C 1.532 176.101 174.600 -0.052 0.000 1.027 312 S CA 1.399 59.578 58.200 -0.034 0.000 0.991 312 S CB -0.279 62.902 63.200 -0.032 0.000 0.823 312 S HN 0.295 nan 8.310 nan 0.000 0.469 313 D N 0.603 120.966 120.400 -0.061 0.000 2.348 313 D HA 0.118 4.758 4.640 0.000 0.000 0.216 313 D C 1.633 177.861 176.300 -0.120 0.000 0.970 313 D CA 0.578 54.519 54.000 -0.098 0.000 0.889 313 D CB -0.051 40.688 40.800 -0.101 0.000 0.912 313 D HN 0.345 nan 8.370 nan 0.000 0.524 314 M N -0.182 119.373 119.600 -0.075 0.000 2.357 314 M HA 0.021 4.501 4.480 0.000 0.000 0.266 314 M C 1.780 178.046 176.300 -0.056 0.000 1.095 314 M CA 0.871 56.134 55.300 -0.062 0.000 1.156 314 M CB -0.525 32.063 32.600 -0.020 0.000 1.365 314 M HN -0.006 nan 8.290 nan 0.000 0.447 315 E N 0.095 120.267 120.200 -0.046 0.000 2.107 315 E HA -0.107 4.243 4.350 0.000 0.000 0.191 315 E C 2.037 178.607 176.600 -0.050 0.000 0.982 315 E CA 0.628 57.005 56.400 -0.038 0.000 0.809 315 E CB 0.042 29.725 29.700 -0.028 0.000 0.756 315 E HN 0.278 nan 8.360 nan 0.000 0.459 316 K N 0.727 121.086 120.400 -0.069 0.000 2.063 316 K HA -0.135 4.185 4.320 0.000 0.000 0.208 316 K C 2.170 178.713 176.600 -0.095 0.000 1.048 316 K CA 1.013 57.251 56.287 -0.081 0.000 0.928 316 K CB -0.281 32.159 32.500 -0.100 0.000 0.713 316 K HN 0.212 nan 8.250 nan 0.000 0.442 317 L N 0.315 121.460 121.223 -0.129 0.000 2.131 317 L HA -0.073 4.267 4.340 0.000 0.000 0.206 317 L C 2.559 179.388 176.870 -0.070 0.000 1.087 317 L CA 0.813 55.565 54.840 -0.146 0.000 0.767 317 L CB -0.510 41.391 42.059 -0.263 0.000 0.917 317 L HN 0.085 nan 8.230 nan 0.000 0.441 318 A N 0.744 123.535 122.820 -0.048 0.000 1.892 318 A HA -0.259 4.061 4.320 0.000 0.000 0.218 318 A C 2.303 179.882 177.584 -0.009 0.000 1.188 318 A CA 2.097 54.124 52.037 -0.017 0.000 0.631 318 A CB -0.339 18.653 19.000 -0.012 0.000 0.822 318 A HN 0.398 nan 8.150 nan 0.000 0.447 319 K N -0.673 119.717 120.400 -0.017 0.000 2.098 319 K HA 0.212 4.532 4.320 0.000 0.000 0.203 319 K C 2.293 178.892 176.600 -0.002 0.000 1.051 319 K CA 0.869 57.152 56.287 -0.006 0.000 0.957 319 K CB -0.246 32.246 32.500 -0.012 0.000 0.738 319 K HN 0.374 nan 8.250 nan 0.000 0.447 320 A N 1.659 124.467 122.820 -0.020 0.000 1.929 320 A HA -0.124 4.197 4.320 0.000 0.000 0.216 320 A C 2.287 179.873 177.584 0.003 0.000 1.176 320 A CA 1.991 54.017 52.037 -0.018 0.000 0.628 320 A CB -0.856 18.121 19.000 -0.040 0.000 0.816 320 A HN 0.451 nan 8.150 nan 0.000 0.444 321 T N -4.488 110.070 114.554 0.006 0.000 3.009 321 T HA 0.388 4.739 4.350 0.000 0.000 0.258 321 T C 1.345 176.069 174.700 0.041 0.000 1.063 321 T CA 1.159 63.276 62.100 0.027 0.000 1.139 321 T CB -0.102 68.785 68.868 0.032 0.000 0.890 321 T HN 1.721 nan 8.240 nan 0.000 0.471 322 G N 1.214 110.036 108.800 0.036 0.000 2.288 322 G HA2 0.221 4.181 3.960 0.000 0.000 0.205 322 G HA3 0.221 4.181 3.960 0.000 0.000 0.205 322 G C 0.099 175.017 174.900 0.031 0.000 1.071 322 G CA -0.123 45.000 45.100 0.039 0.000 0.788 322 G HN 0.984 nan 8.290 nan 0.000 0.491 323 A N -0.349 122.488 122.820 0.028 0.000 2.580 323 A HA 0.914 5.234 4.320 0.000 0.000 0.275 323 A C 0.284 177.883 177.584 0.024 0.000 1.321 323 A CA -0.644 51.411 52.037 0.030 0.000 0.924 323 A CB 0.901 19.926 19.000 0.041 0.000 1.512 323 A HN 0.434 nan 8.150 nan 0.000 0.492 324 N N -0.845 117.871 118.700 0.027 0.000 2.369 324 N HA 0.318 5.058 4.740 0.000 0.000 0.287 324 N C -1.696 173.829 175.510 0.025 0.000 1.067 324 N CA -0.337 52.725 53.050 0.021 0.000 0.888 324 N CB 2.103 40.601 38.487 0.019 0.000 1.616 324 N HN 0.242 nan 8.380 nan 0.000 0.482 325 V N 3.831 123.756 119.914 0.020 0.000 2.381 325 V HA 0.191 4.311 4.120 0.000 0.000 0.257 325 V C 0.473 176.579 176.094 0.020 0.000 1.057 325 V CA -0.065 62.248 62.300 0.021 0.000 1.013 325 V CB -0.300 31.532 31.823 0.015 0.000 1.069 325 V HN 0.453 nan 8.190 nan 0.000 0.484 326 I N 4.872 125.457 120.570 0.025 0.000 2.315 326 I HA 0.232 4.402 4.170 0.000 0.000 0.291 326 I C 1.354 177.483 176.117 0.020 0.000 1.006 326 I CA 0.272 61.584 61.300 0.021 0.000 1.265 326 I CB 1.418 39.431 38.000 0.021 0.000 1.387 326 I HN 0.495 nan 8.210 nan 0.000 0.475 327 T N 4.190 118.754 114.554 0.016 0.000 3.009 327 T HA -0.016 4.334 4.350 0.000 0.000 0.258 327 T C 0.936 175.644 174.700 0.014 0.000 1.063 327 T CA 0.675 62.784 62.100 0.015 0.000 1.139 327 T CB -0.138 68.737 68.868 0.012 0.000 0.890 327 T HN 0.404 nan 8.240 nan 0.000 0.471 328 N N 1.429 120.136 118.700 0.012 0.000 2.462 328 N HA 0.254 4.994 4.740 0.000 0.000 0.242 328 N C 0.643 176.159 175.510 0.011 0.000 1.010 328 N CA -0.320 52.736 53.050 0.011 0.000 0.939 328 N CB 0.480 38.972 38.487 0.008 0.000 1.127 328 N HN 0.162 nan 8.380 nan 0.000 0.509 329 I N 3.280 123.857 120.570 0.011 0.000 2.454 329 I HA -0.214 3.956 4.170 0.000 0.000 0.254 329 I C 1.454 177.575 176.117 0.007 0.000 1.156 329 I CA 1.127 62.434 61.300 0.011 0.000 1.433 329 I CB 0.254 38.261 38.000 0.011 0.000 1.082 329 I HN 0.431 nan 8.210 nan 0.000 0.432 330 K N 0.122 120.525 120.400 0.005 0.000 2.057 330 K HA -0.191 4.129 4.320 0.000 0.000 0.206 330 K C 1.169 177.771 176.600 0.003 0.000 1.050 330 K CA 1.501 57.790 56.287 0.002 0.000 0.935 330 K CB -0.608 31.893 32.500 0.002 0.000 0.715 330 K HN 0.346 nan 8.250 nan 0.000 0.439 331 D N 0.899 121.302 120.400 0.005 0.000 2.344 331 D HA -0.030 4.611 4.640 0.000 0.000 0.242 331 D C -0.524 175.780 176.300 0.007 0.000 1.159 331 D CA -0.086 53.917 54.000 0.005 0.000 0.859 331 D CB -0.095 40.708 40.800 0.006 0.000 0.925 331 D HN -0.139 nan 8.370 nan 0.000 0.510 332 L N 0.940 122.167 121.223 0.007 0.000 2.462 332 L HA 0.199 4.539 4.340 0.000 0.000 0.283 332 L C 0.256 177.130 176.870 0.007 0.000 1.166 332 L CA 0.149 54.995 54.840 0.009 0.000 0.964 332 L CB -0.253 41.812 42.059 0.010 0.000 1.294 332 L HN -0.153 nan 8.230 nan 0.000 0.449 333 S N 2.801 118.505 115.700 0.008 0.000 2.606 333 S HA 0.426 4.896 4.470 0.000 0.000 0.257 333 S C 1.278 175.883 174.600 0.008 0.000 1.327 333 S CA 0.111 58.315 58.200 0.006 0.000 0.984 333 S CB 1.018 64.222 63.200 0.006 0.000 0.941 333 S HN 0.772 nan 8.310 nan 0.000 0.576 334 A N 1.064 123.888 122.820 0.006 0.000 2.307 334 A HA 0.244 4.564 4.320 0.000 0.000 0.218 334 A C 1.090 178.679 177.584 0.009 0.000 1.228 334 A CA 0.141 52.182 52.037 0.007 0.000 0.857 334 A CB -0.146 18.857 19.000 0.004 0.000 0.897 334 A HN 0.701 nan 8.150 nan 0.000 0.495 335 Q N -0.246 119.559 119.800 0.009 0.000 2.171 335 Q HA 0.126 4.466 4.340 0.000 0.000 0.218 335 Q C -0.257 175.750 176.000 0.013 0.000 0.822 335 Q CA 0.136 55.945 55.803 0.010 0.000 0.987 335 Q CB 0.607 29.349 28.738 0.006 0.000 1.144 335 Q HN 0.369 nan 8.270 nan 0.000 0.494 336 D N -0.038 120.371 120.400 0.016 0.000 2.325 336 D HA 0.080 4.720 4.640 0.000 0.000 0.225 336 D C -0.269 176.048 176.300 0.028 0.000 1.096 336 D CA 0.236 54.248 54.000 0.020 0.000 0.844 336 D CB 0.357 41.168 40.800 0.019 0.000 0.925 336 D HN 0.240 nan 8.370 nan 0.000 0.513 337 L N 0.395 121.635 121.223 0.028 0.000 2.307 337 L HA 0.495 4.835 4.340 0.000 0.000 0.282 337 L C 1.372 178.266 176.870 0.039 0.000 1.051 337 L CA -0.891 53.971 54.840 0.037 0.000 0.804 337 L CB 1.576 43.654 42.059 0.032 0.000 1.197 337 L HN -0.085 nan 8.230 nan 0.000 0.431 338 G N 1.014 109.845 108.800 0.051 0.000 2.516 338 G HA2 0.283 4.243 3.960 0.000 0.000 0.276 338 G HA3 0.283 4.243 3.960 0.000 0.000 0.276 338 G C -1.341 173.589 174.900 0.050 0.000 1.390 338 G CA -0.064 45.065 45.100 0.049 0.000 1.050 338 G HN 0.656 nan 8.290 nan 0.000 0.519 339 D N -1.595 118.835 120.400 0.051 0.000 2.764 339 D HA 0.551 5.191 4.640 0.000 0.000 0.227 339 D C -0.563 175.769 176.300 0.053 0.000 1.347 339 D CA -0.123 53.907 54.000 0.050 0.000 0.953 339 D CB 1.480 42.305 40.800 0.040 0.000 1.476 339 D HN 0.560 nan 8.370 nan 0.000 0.585 340 A N 1.978 124.833 122.820 0.060 0.000 2.356 340 A HA 0.643 4.963 4.320 0.000 0.000 0.310 340 A C 1.023 178.640 177.584 0.055 0.000 1.075 340 A CA -0.436 51.637 52.037 0.060 0.000 0.746 340 A CB 1.594 20.639 19.000 0.075 0.000 1.221 340 A HN 0.590 nan 8.150 nan 0.000 0.443 341 G N 0.506 109.334 108.800 0.048 0.000 2.990 341 G HA2 0.403 4.363 3.960 0.000 0.000 0.206 341 G HA3 0.403 4.363 3.960 0.000 0.000 0.206 341 G C 0.041 174.966 174.900 0.042 0.000 1.169 341 G CA 0.633 45.757 45.100 0.040 0.000 0.819 341 G HN 0.904 nan 8.290 nan 0.000 0.517 342 L N -0.414 120.842 121.223 0.056 0.000 2.830 342 L HA 0.314 4.654 4.340 0.000 0.000 0.259 342 L C -1.765 175.160 176.870 0.091 0.000 0.926 342 L CA -0.685 54.191 54.840 0.060 0.000 0.993 342 L CB 1.885 43.973 42.059 0.049 0.000 1.589 342 L HN -0.172 nan 8.230 nan 0.000 0.460 343 V N 3.454 123.423 119.914 0.092 0.000 2.409 343 V HA 0.554 4.674 4.120 0.000 0.000 0.290 343 V C -0.504 175.656 176.094 0.110 0.000 1.017 343 V CA -0.423 61.957 62.300 0.133 0.000 0.841 343 V CB 1.607 33.516 31.823 0.143 0.000 1.003 343 V HN 0.724 nan 8.190 nan 0.000 0.426 344 E N 3.000 123.286 120.200 0.143 0.000 2.314 344 E HA 0.437 4.787 4.350 0.000 0.000 0.272 344 E C -1.110 175.581 176.600 0.150 0.000 0.884 344 E CA -0.692 55.765 56.400 0.094 0.000 0.753 344 E CB 2.484 32.192 29.700 0.013 0.000 1.213 344 E HN 0.741 nan 8.360 nan 0.000 0.432 345 E N 3.972 124.231 120.200 0.098 0.000 2.089 345 E HA 0.223 4.573 4.350 0.000 0.000 0.284 345 E C -0.783 175.851 176.600 0.056 0.000 1.023 345 E CA -0.266 56.207 56.400 0.121 0.000 0.819 345 E CB 0.693 30.443 29.700 0.083 0.000 1.076 345 E HN 0.328 nan 8.360 nan 0.000 0.396 346 R N 3.362 123.908 120.500 0.076 0.000 2.832 346 R HA 0.398 4.738 4.340 0.000 0.000 0.271 346 R C -0.470 175.875 176.300 0.074 0.000 0.996 346 R CA -0.935 55.137 56.100 -0.046 0.000 0.977 346 R CB 1.707 31.771 30.300 -0.393 0.000 1.168 346 R HN 0.277 nan 8.270 nan 0.000 0.482 347 K N 1.823 122.238 120.400 0.026 0.000 2.253 347 K HA 0.329 4.649 4.320 0.000 0.000 0.277 347 K C -0.934 175.698 176.600 0.053 0.000 1.053 347 K CA -0.418 55.902 56.287 0.055 0.000 0.892 347 K CB 0.875 33.393 32.500 0.030 0.000 1.102 347 K HN 0.253 nan 8.250 nan 0.000 0.469 348 I N 2.292 122.930 120.570 0.114 0.000 2.439 348 I HA 0.032 4.202 4.170 0.000 0.000 0.283 348 I C 0.053 176.223 176.117 0.087 0.000 1.023 348 I CA 0.452 61.821 61.300 0.116 0.000 1.100 348 I CB 1.656 39.807 38.000 0.251 0.000 1.238 348 I HN 0.720 nan 8.210 nan 0.000 0.445 349 S N 4.645 120.377 115.700 0.053 0.000 3.748 349 S HA -0.142 4.328 4.470 0.000 0.000 0.329 349 S C 1.091 175.709 174.600 0.030 0.000 1.104 349 S CA 1.554 59.775 58.200 0.035 0.000 0.954 349 S CB -1.423 61.797 63.200 0.034 0.000 0.910 349 S HN 2.021 nan 8.310 nan 0.000 0.494 350 G N 0.370 109.188 108.800 0.030 0.000 3.757 350 G HA2 -0.276 3.684 3.960 0.000 0.000 0.215 350 G HA3 -0.276 3.684 3.960 0.000 0.000 0.215 350 G C -0.311 174.608 174.900 0.032 0.000 1.411 350 G CA 0.267 45.382 45.100 0.025 0.000 0.896 350 G HN 0.798 nan 8.290 nan 0.000 0.581 351 D N 1.880 122.302 120.400 0.037 0.000 2.423 351 D HA 0.472 5.112 4.640 0.000 0.000 0.238 351 D C 0.806 177.147 176.300 0.068 0.000 1.142 351 D CA 0.978 55.004 54.000 0.042 0.000 0.884 351 D CB 1.311 42.131 40.800 0.033 0.000 1.199 351 D HN 0.789 nan 8.370 nan 0.000 0.438 352 S N 1.278 117.019 115.700 0.068 0.000 2.438 352 S HA 0.671 5.141 4.470 0.000 0.000 0.316 352 S C -0.142 174.526 174.600 0.114 0.000 1.084 352 S CA -0.896 57.361 58.200 0.096 0.000 1.107 352 S CB 0.861 64.103 63.200 0.069 0.000 0.981 352 S HN 0.352 nan 8.310 nan 0.000 0.466 353 M N 2.623 122.337 119.600 0.191 0.000 2.716 353 M HA 0.539 5.019 4.480 0.000 0.000 0.307 353 M C -0.928 175.534 176.300 0.269 0.000 1.223 353 M CA -0.766 54.626 55.300 0.154 0.000 0.871 353 M CB 2.103 34.707 32.600 0.006 0.000 1.739 353 M HN 0.570 nan 8.290 nan 0.000 0.475 354 I N 2.148 122.822 120.570 0.174 0.000 2.307 354 I HA 0.252 4.422 4.170 0.000 0.000 0.287 354 I C -1.164 175.082 176.117 0.215 0.000 1.054 354 I CA -0.310 61.144 61.300 0.256 0.000 1.218 354 I CB 0.082 38.247 38.000 0.275 0.000 1.398 354 I HN 0.372 nan 8.210 nan 0.000 0.475 355 F N 5.648 125.639 119.950 0.068 0.000 2.467 355 F HA 0.199 4.726 4.527 0.000 0.000 0.362 355 F C 0.704 176.544 175.800 0.065 0.000 1.090 355 F CA -0.407 57.621 58.000 0.047 0.000 1.202 355 F CB 0.910 39.928 39.000 0.031 0.000 1.113 355 F HN 0.074 nan 8.300 nan 0.000 0.541 356 V N 4.344 124.354 119.914 0.160 0.000 2.435 356 V HA 0.145 4.265 4.120 0.000 0.000 0.263 356 V C 0.197 176.346 176.094 0.092 0.000 1.087 356 V CA -0.524 61.851 62.300 0.125 0.000 1.253 356 V CB -0.764 31.091 31.823 0.053 0.000 1.462 356 V HN 0.762 nan 8.190 nan 0.000 0.547 357 E N 0.902 121.179 120.200 0.127 0.000 2.790 357 E HA 0.425 4.775 4.350 0.000 0.000 0.256 357 E C -0.289 176.352 176.600 0.069 0.000 1.246 357 E CA -0.805 55.655 56.400 0.100 0.000 1.041 357 E CB 0.566 30.352 29.700 0.142 0.000 1.272 357 E HN 0.340 nan 8.360 nan 0.000 0.603 358 E N -1.003 119.230 120.200 0.055 0.000 2.238 358 E HA -0.224 4.126 4.350 0.000 0.000 0.219 358 E C -0.620 176.003 176.600 0.038 0.000 1.275 358 E CA 0.063 56.487 56.400 0.041 0.000 0.714 358 E CB -1.872 27.851 29.700 0.039 0.000 1.154 358 E HN 0.353 nan 8.360 nan 0.000 0.363 359 C N 0.517 119.837 119.300 0.033 0.000 2.563 359 C HA 0.114 4.574 4.460 0.000 0.000 0.358 359 C C 2.020 177.032 174.990 0.037 0.000 1.336 359 C CA -0.601 58.438 59.018 0.035 0.000 2.454 359 C CB 0.839 28.595 27.740 0.027 0.000 2.448 359 C HN 0.437 nan 8.230 nan 0.000 0.670 360 K N 0.323 120.755 120.400 0.054 0.000 2.056 360 K HA 0.026 4.347 4.320 0.000 0.000 0.205 360 K C 0.486 177.153 176.600 0.111 0.000 1.035 360 K CA 1.362 57.694 56.287 0.075 0.000 0.955 360 K CB -0.386 32.161 32.500 0.078 0.000 0.769 360 K HN 0.689 nan 8.250 nan 0.000 0.447 361 H N 1.561 120.636 119.070 0.007 0.000 2.418 361 H HA 0.264 4.820 4.556 0.000 0.000 0.238 361 H C -2.629 172.700 175.328 0.001 0.000 1.403 361 H CA -2.202 53.849 56.048 0.004 0.000 1.419 361 H CB 0.457 30.221 29.762 0.004 0.000 1.463 361 H HN -0.066 nan 8.280 nan 0.000 0.515 362 P HA 0.127 nan 4.420 nan 0.000 0.276 362 P C 0.179 177.410 177.300 -0.115 0.000 1.243 362 P CA -0.465 62.587 63.100 -0.080 0.000 0.768 362 P CB 1.117 32.774 31.700 -0.071 0.000 0.856 363 K N 1.080 121.450 120.400 -0.049 0.000 2.373 363 K HA 0.473 4.793 4.320 0.000 0.000 0.202 363 K C 0.240 176.819 176.600 -0.035 0.000 1.025 363 K CA -0.139 56.125 56.287 -0.038 0.000 1.115 363 K CB 0.644 33.147 32.500 0.003 0.000 0.858 363 K HN 0.496 nan 8.250 nan 0.000 0.525 364 A N 0.113 122.909 122.820 -0.040 0.000 2.475 364 A HA 0.767 5.087 4.320 0.000 0.000 0.301 364 A C -1.110 176.447 177.584 -0.046 0.000 1.059 364 A CA -0.579 51.432 52.037 -0.042 0.000 0.710 364 A CB 1.779 20.752 19.000 -0.045 0.000 1.288 364 A HN -0.115 nan 8.150 nan 0.000 0.408 365 V N 0.297 120.185 119.914 -0.045 0.000 3.087 365 V HA 0.665 4.785 4.120 0.000 0.000 0.306 365 V C -0.382 175.687 176.094 -0.042 0.000 1.187 365 V CA -0.522 61.754 62.300 -0.041 0.000 0.999 365 V CB 2.513 34.313 31.823 -0.038 0.000 1.049 365 V HN 0.958 nan 8.190 nan 0.000 0.431 366 T N 4.849 119.379 114.554 -0.039 0.000 2.807 366 T HA 0.522 4.872 4.350 0.000 0.000 0.279 366 T C -0.396 174.287 174.700 -0.029 0.000 0.993 366 T CA -0.453 61.620 62.100 -0.045 0.000 0.970 366 T CB 1.090 69.918 68.868 -0.067 0.000 0.950 366 T HN 0.382 nan 8.240 nan 0.000 0.441 367 M N 3.846 123.429 119.600 -0.028 0.000 2.063 367 M HA 0.313 4.793 4.480 0.000 0.000 0.348 367 M C -0.705 175.585 176.300 -0.016 0.000 1.180 367 M CA -0.892 54.398 55.300 -0.016 0.000 1.059 367 M CB 0.697 33.288 32.600 -0.014 0.000 1.544 367 M HN 0.369 nan 8.290 nan 0.000 0.447 368 L N 6.552 127.773 121.223 -0.004 0.000 2.295 368 L HA 0.439 4.779 4.340 0.000 0.000 0.288 368 L C -0.475 176.400 176.870 0.009 0.000 1.079 368 L CA 0.197 55.039 54.840 0.002 0.000 0.830 368 L CB -0.025 42.054 42.059 0.033 0.000 1.200 368 L HN 0.505 nan 8.230 nan 0.000 0.438 369 I N 5.648 126.219 120.570 0.001 0.000 2.440 369 I HA 0.460 4.630 4.170 0.000 0.000 0.294 369 I C 0.126 176.248 176.117 0.008 0.000 0.995 369 I CA -0.653 60.649 61.300 0.004 0.000 1.306 369 I CB 0.791 38.790 38.000 -0.001 0.000 1.407 369 I HN 0.553 nan 8.210 nan 0.000 0.501 370 R N 3.647 124.154 120.500 0.011 0.000 2.740 370 R HA 0.813 5.153 4.340 0.000 0.000 0.273 370 R C -0.740 175.566 176.300 0.010 0.000 0.998 370 R CA -1.043 55.065 56.100 0.013 0.000 0.900 370 R CB 2.518 32.830 30.300 0.020 0.000 1.223 370 R HN 0.881 nan 8.270 nan 0.000 0.466 371 G N -0.427 108.378 108.800 0.008 0.000 2.579 371 G HA2 0.246 4.206 3.960 0.000 0.000 0.292 371 G HA3 0.246 4.206 3.960 0.000 0.000 0.292 371 G C 0.535 175.439 174.900 0.007 0.000 1.484 371 G CA -0.224 44.881 45.100 0.008 0.000 0.813 371 G HN 0.504 nan 8.290 nan 0.000 0.515 372 T N -1.758 112.801 114.554 0.009 0.000 2.580 372 T HA -0.012 4.338 4.350 0.000 0.000 0.265 372 T C 1.695 176.398 174.700 0.005 0.000 1.063 372 T CA 2.420 64.524 62.100 0.008 0.000 1.170 372 T CB -0.792 68.082 68.868 0.010 0.000 0.863 372 T HN 1.431 nan 8.240 nan 0.000 0.418 373 T N -1.054 113.505 114.554 0.008 0.000 2.910 373 T HA 0.507 4.857 4.350 0.000 0.000 0.279 373 T C 0.980 175.668 174.700 -0.020 0.000 0.989 373 T CA -0.272 61.830 62.100 0.002 0.000 0.968 373 T CB 1.877 70.761 68.868 0.027 0.000 1.135 373 T HN 0.165 nan 8.240 nan 0.000 0.562 374 E N -0.478 119.680 120.200 -0.070 0.000 2.076 374 E HA -0.019 4.331 4.350 0.000 0.000 0.190 374 E C 1.782 178.285 176.600 -0.162 0.000 0.979 374 E CA 1.497 57.804 56.400 -0.155 0.000 0.807 374 E CB -0.551 28.986 29.700 -0.272 0.000 0.761 374 E HN 0.856 nan 8.360 nan 0.000 0.454 375 H N -1.157 117.915 119.070 0.003 0.000 2.529 375 H HA 0.091 4.647 4.556 0.000 0.000 0.277 375 H C 1.837 177.166 175.328 0.003 0.000 0.999 375 H CA 0.736 56.786 56.048 0.003 0.000 1.256 375 H CB 0.464 30.227 29.762 0.003 0.000 1.402 375 H HN -0.004 nan 8.280 nan 0.000 0.566 376 V N 0.536 120.508 119.914 0.096 0.000 2.307 376 V HA -0.211 3.909 4.120 0.000 0.000 0.245 376 V C 2.206 178.321 176.094 0.035 0.000 1.045 376 V CA 1.611 63.946 62.300 0.057 0.000 1.024 376 V CB -0.290 31.556 31.823 0.039 0.000 0.651 376 V HN 0.427 nan 8.190 nan 0.000 0.449 377 I N -0.294 120.286 120.570 0.016 0.000 2.226 377 I HA -0.231 3.939 4.170 0.000 0.000 0.245 377 I C 2.586 178.708 176.117 0.009 0.000 1.100 377 I CA 1.639 62.942 61.300 0.004 0.000 1.374 377 I CB -0.299 37.693 38.000 -0.013 0.000 1.057 377 I HN 0.386 nan 8.210 nan 0.000 0.413 378 E N 0.504 120.712 120.200 0.014 0.000 2.204 378 E HA -0.263 4.087 4.350 0.000 0.000 0.194 378 E C 1.858 178.478 176.600 0.035 0.000 0.989 378 E CA 1.004 57.417 56.400 0.022 0.000 0.824 378 E CB 0.229 29.951 29.700 0.036 0.000 0.756 378 E HN 0.339 nan 8.360 nan 0.000 0.477 379 E N -0.387 119.839 120.200 0.043 0.000 2.250 379 E HA -0.040 4.311 4.350 0.000 0.000 0.192 379 E C 1.779 178.394 176.600 0.024 0.000 0.986 379 E CA 0.272 56.693 56.400 0.035 0.000 0.849 379 E CB 0.187 29.911 29.700 0.040 0.000 0.797 379 E HN 0.002 nan 8.360 nan 0.000 0.482 380 V N 0.673 120.600 119.914 0.021 0.000 2.515 380 V HA -0.199 3.922 4.120 0.000 0.000 0.250 380 V C 2.221 178.322 176.094 0.011 0.000 1.058 380 V CA 1.694 64.003 62.300 0.015 0.000 1.064 380 V CB -0.573 31.258 31.823 0.013 0.000 0.675 380 V HN 0.466 nan 8.190 nan 0.000 0.461 381 A N -0.321 122.506 122.820 0.010 0.000 1.897 381 A HA -0.164 4.156 4.320 0.000 0.000 0.215 381 A C 2.342 179.930 177.584 0.006 0.000 1.181 381 A CA 1.338 53.378 52.037 0.005 0.000 0.620 381 A CB -0.444 18.558 19.000 0.002 0.000 0.821 381 A HN 0.459 nan 8.150 nan 0.000 0.443 382 R N -0.557 119.950 120.500 0.010 0.000 2.189 382 R HA -0.032 4.308 4.340 0.000 0.000 0.223 382 R C 2.275 178.580 176.300 0.008 0.000 1.092 382 R CA 0.905 57.011 56.100 0.009 0.000 0.989 382 R CB -0.293 30.015 30.300 0.013 0.000 0.876 382 R HN 0.538 nan 8.270 nan 0.000 0.457 383 A N 0.332 123.158 122.820 0.010 0.000 1.898 383 A HA -0.056 4.264 4.320 0.000 0.000 0.214 383 A C 2.211 179.799 177.584 0.007 0.000 1.183 383 A CA 0.855 52.898 52.037 0.010 0.000 0.622 383 A CB -0.254 18.754 19.000 0.013 0.000 0.824 383 A HN 0.097 nan 8.150 nan 0.000 0.444 384 V N 0.722 120.639 119.914 0.005 0.000 2.490 384 V HA -0.215 3.905 4.120 0.000 0.000 0.250 384 V C 1.998 178.092 176.094 0.000 0.000 1.061 384 V CA 2.165 64.466 62.300 0.002 0.000 1.064 384 V CB -0.694 31.130 31.823 0.000 0.000 0.670 384 V HN 0.487 nan 8.190 nan 0.000 0.461 385 D N -0.146 120.254 120.400 -0.000 0.000 2.178 385 D HA -0.130 4.510 4.640 0.000 0.000 0.202 385 D C 1.806 178.105 176.300 -0.001 0.000 0.974 385 D CA 1.116 55.115 54.000 -0.002 0.000 0.841 385 D CB -0.046 40.753 40.800 -0.001 0.000 0.953 385 D HN 0.432 nan 8.370 nan 0.000 0.478 386 D N 0.323 120.724 120.400 0.001 0.000 2.137 386 D HA -0.003 4.637 4.640 0.000 0.000 0.202 386 D C 2.038 178.339 176.300 0.002 0.000 0.970 386 D CA 0.790 54.791 54.000 0.002 0.000 0.837 386 D CB -0.175 40.627 40.800 0.004 0.000 0.981 386 D HN 0.058 nan 8.370 nan 0.000 0.475 387 A N 0.854 123.676 122.820 0.003 0.000 1.841 387 A HA -0.179 4.141 4.320 0.000 0.000 0.216 387 A C 2.450 180.034 177.584 0.000 0.000 1.199 387 A CA 1.689 53.728 52.037 0.003 0.000 0.621 387 A CB -1.028 17.974 19.000 0.004 0.000 0.835 387 A HN 0.130 nan 8.150 nan 0.000 0.445 388 V N 0.090 120.003 119.914 -0.002 0.000 2.660 388 V HA -0.231 3.889 4.120 0.000 0.000 0.257 388 V C 2.531 178.623 176.094 -0.005 0.000 1.088 388 V CA 1.893 64.190 62.300 -0.005 0.000 1.106 388 V CB -1.472 30.347 31.823 -0.007 0.000 0.686 388 V HN 0.680 nan 8.190 nan 0.000 0.481 389 G N 0.392 109.191 108.800 -0.003 0.000 2.439 389 G HA2 -0.130 3.830 3.960 0.000 0.000 0.212 389 G HA3 -0.130 3.830 3.960 0.000 0.000 0.212 389 G C 1.640 176.539 174.900 -0.002 0.000 1.199 389 G CA 1.059 46.157 45.100 -0.003 0.000 0.807 389 G HN 0.521 nan 8.290 nan 0.000 0.537 390 V N -0.699 119.214 119.914 -0.001 0.000 2.515 390 V HA -0.089 4.031 4.120 0.000 0.000 0.250 390 V C 2.661 178.754 176.094 -0.000 0.000 1.058 390 V CA 1.364 63.664 62.300 -0.000 0.000 1.064 390 V CB -0.795 31.028 31.823 0.001 0.000 0.675 390 V HN 0.124 nan 8.190 nan 0.000 0.461 391 V N 2.000 121.913 119.914 -0.001 0.000 2.270 391 V HA -0.075 4.045 4.120 0.000 0.000 0.245 391 V C 2.937 179.029 176.094 -0.003 0.000 1.043 391 V CA 2.390 64.690 62.300 -0.001 0.000 1.014 391 V CB -1.435 30.387 31.823 -0.002 0.000 0.645 391 V HN 0.608 nan 8.190 nan 0.000 0.447 392 G N -1.667 107.130 108.800 -0.004 0.000 2.475 392 G HA2 -0.308 3.652 3.960 0.000 0.000 0.220 392 G HA3 -0.308 3.652 3.960 0.000 0.000 0.220 392 G C 1.701 176.599 174.900 -0.003 0.000 1.125 392 G CA 1.365 46.462 45.100 -0.005 0.000 0.755 392 G HN 0.535 nan 8.290 nan 0.000 0.565 393 C N 0.284 119.582 119.300 -0.003 0.000 2.450 393 C HA 0.076 4.536 4.460 0.000 0.000 0.279 393 C C 3.186 178.175 174.990 -0.001 0.000 1.335 393 C CA 1.484 60.501 59.018 -0.002 0.000 1.749 393 C CB -0.754 26.985 27.740 -0.002 0.000 1.963 393 C HN 0.473 nan 8.230 nan 0.000 0.501 394 T N 1.111 115.665 114.554 -0.001 0.000 2.735 394 T HA -0.012 4.338 4.350 0.000 0.000 0.256 394 T C 1.695 176.395 174.700 -0.000 0.000 1.042 394 T CA 1.120 63.220 62.100 -0.000 0.000 1.147 394 T CB -0.256 68.612 68.868 0.001 0.000 0.865 394 T HN 0.402 nan 8.240 nan 0.000 0.421 395 I N 1.343 121.912 120.570 -0.001 0.000 2.103 395 I HA -0.324 3.846 4.170 0.000 0.000 0.241 395 I C 2.765 178.881 176.117 -0.001 0.000 1.036 395 I CA 1.771 63.071 61.300 -0.001 0.000 1.300 395 I CB -0.464 37.534 38.000 -0.002 0.000 1.010 395 I HN 0.370 nan 8.210 nan 0.000 0.406 396 E N 0.370 120.569 120.200 -0.001 0.000 2.031 396 E HA -0.228 4.122 4.350 0.000 0.000 0.193 396 E C 1.851 178.451 176.600 -0.001 0.000 0.994 396 E CA 1.627 58.026 56.400 -0.001 0.000 0.800 396 E CB -0.067 29.631 29.700 -0.002 0.000 0.752 396 E HN 0.476 nan 8.360 nan 0.000 0.447 397 D N -1.547 118.852 120.400 -0.001 0.000 2.084 397 D HA -0.053 4.587 4.640 0.000 0.000 0.199 397 D C 1.508 177.807 176.300 -0.000 0.000 0.981 397 D CA 1.709 55.709 54.000 -0.001 0.000 0.841 397 D CB -0.135 40.664 40.800 -0.001 0.000 0.997 397 D HN 0.381 nan 8.370 nan 0.000 0.454 398 G N -0.148 108.652 108.800 0.000 0.000 2.234 398 G HA2 -0.263 3.697 3.960 0.000 0.000 0.235 398 G HA3 -0.263 3.697 3.960 0.000 0.000 0.235 398 G C 0.462 175.363 174.900 0.001 0.000 0.997 398 G CA 0.096 45.197 45.100 0.001 0.000 0.623 398 G HN 0.335 nan 8.290 nan 0.000 0.514 399 R N 0.345 120.845 120.500 0.001 0.000 2.732 399 R HA 0.841 5.181 4.340 0.000 0.000 0.278 399 R C 0.338 176.639 176.300 0.001 0.000 0.976 399 R CA -0.270 55.831 56.100 0.001 0.000 0.963 399 R CB 1.756 32.056 30.300 -0.000 0.000 1.150 399 R HN 0.644 nan 8.270 nan 0.000 0.478 400 I N -1.711 118.861 120.570 0.003 0.000 3.195 400 I HA 0.748 4.918 4.170 0.000 0.000 0.313 400 I C -0.870 175.250 176.117 0.005 0.000 1.237 400 I CA -1.119 60.184 61.300 0.003 0.000 0.963 400 I CB 2.252 40.255 38.000 0.004 0.000 1.278 400 I HN 0.511 nan 8.210 nan 0.000 0.460 401 V N 0.077 119.994 119.914 0.006 0.000 3.105 401 V HA 0.768 4.888 4.120 0.000 0.000 0.311 401 V C -0.342 175.758 176.094 0.011 0.000 1.287 401 V CA -0.218 62.088 62.300 0.009 0.000 1.066 401 V CB 1.363 33.191 31.823 0.008 0.000 1.105 401 V HN 1.024 nan 8.190 nan 0.000 0.462 402 S N 0.419 116.129 115.700 0.017 0.000 2.429 402 S HA 0.779 5.250 4.470 0.000 0.000 0.302 402 S C 0.413 175.022 174.600 0.015 0.000 1.115 402 S CA 0.057 58.269 58.200 0.019 0.000 1.095 402 S CB 0.597 63.815 63.200 0.031 0.000 0.987 402 S HN 1.751 nan 8.310 nan 0.000 0.474 403 G N 1.602 110.407 108.800 0.008 0.000 2.481 403 G HA2 0.461 4.421 3.960 0.000 0.000 0.251 403 G HA3 0.461 4.421 3.960 0.000 0.000 0.251 403 G C 1.097 175.994 174.900 -0.006 0.000 1.492 403 G CA -0.366 44.733 45.100 -0.001 0.000 1.060 403 G HN 2.070 nan 8.290 nan 0.000 0.553 404 G N -2.396 106.391 108.800 -0.022 0.000 2.168 404 G HA2 0.219 4.179 3.960 0.000 0.000 0.263 404 G HA3 0.219 4.179 3.960 0.000 0.000 0.263 404 G C 1.525 176.407 174.900 -0.030 0.000 0.977 404 G CA 1.179 46.258 45.100 -0.036 0.000 0.659 404 G HN 2.512 nan 8.290 nan 0.000 0.533 405 G N -1.394 107.391 108.800 -0.026 0.000 2.141 405 G HA2 -0.093 3.868 3.960 0.000 0.000 0.242 405 G HA3 -0.093 3.868 3.960 0.000 0.000 0.242 405 G C 1.316 176.201 174.900 -0.024 0.000 0.982 405 G CA 1.619 46.701 45.100 -0.031 0.000 0.662 405 G HN 1.739 nan 8.290 nan 0.000 0.527 406 S N 0.114 115.816 115.700 0.004 0.000 2.349 406 S HA -0.115 4.355 4.470 0.000 0.000 0.216 406 S C 2.682 177.274 174.600 -0.013 0.000 1.033 406 S CA 2.857 61.085 58.200 0.046 0.000 1.021 406 S CB -0.546 62.703 63.200 0.081 0.000 0.968 406 S HN 1.406 nan 8.310 nan 0.000 0.426 407 T N -0.979 113.574 114.554 -0.003 0.000 3.228 407 T HA 0.139 4.489 4.350 0.000 0.000 0.261 407 T C 1.073 175.739 174.700 -0.056 0.000 1.171 407 T CA 0.948 63.036 62.100 -0.021 0.000 1.056 407 T CB -0.257 68.610 68.868 -0.000 0.000 0.938 407 T HN 0.355 nan 8.240 nan 0.000 0.539 408 E N 0.299 120.455 120.200 -0.074 0.000 2.166 408 E HA 0.161 4.511 4.350 0.000 0.000 0.192 408 E C 2.127 178.656 176.600 -0.117 0.000 0.967 408 E CA 0.191 56.545 56.400 -0.076 0.000 0.840 408 E CB 0.010 29.672 29.700 -0.064 0.000 0.795 408 E HN 0.330 nan 8.360 nan 0.000 0.470 409 V N 1.006 120.806 119.914 -0.190 0.000 2.453 409 V HA -0.190 3.930 4.120 0.000 0.000 0.247 409 V C 2.205 178.061 176.094 -0.397 0.000 1.048 409 V CA 1.753 63.885 62.300 -0.280 0.000 1.049 409 V CB -0.259 31.361 31.823 -0.337 0.000 0.672 409 V HN 0.214 nan 8.190 nan 0.000 0.457 410 E N 0.837 120.732 120.200 -0.510 0.000 2.005 410 E HA -0.255 4.096 4.350 0.000 0.000 0.198 410 E C 1.981 178.510 176.600 -0.118 0.000 1.010 410 E CA 1.631 57.858 56.400 -0.289 0.000 0.825 410 E CB -0.689 28.956 29.700 -0.093 0.000 0.769 410 E HN 0.276 nan 8.360 nan 0.000 0.456 411 L N 0.701 121.876 121.223 -0.081 0.000 2.357 411 L HA -0.163 4.177 4.340 0.000 0.000 0.220 411 L C 2.212 179.071 176.870 -0.018 0.000 1.123 411 L CA 2.319 57.137 54.840 -0.036 0.000 0.782 411 L CB -0.934 41.112 42.059 -0.022 0.000 0.910 411 L HN 0.385 nan 8.230 nan 0.000 0.442 412 S N -1.357 114.320 115.700 -0.037 0.000 2.456 412 S HA -0.104 4.366 4.470 0.000 0.000 0.224 412 S C 1.947 176.550 174.600 0.005 0.000 1.035 412 S CA 0.549 58.747 58.200 -0.004 0.000 0.940 412 S CB -0.265 62.919 63.200 -0.026 0.000 0.799 412 S HN 0.578 nan 8.310 nan 0.000 0.508 413 M N 0.581 120.169 119.600 -0.020 0.000 2.193 413 M HA 0.283 4.763 4.480 0.000 0.000 0.265 413 M C 1.963 178.280 176.300 0.029 0.000 1.071 413 M CA 1.010 56.314 55.300 0.007 0.000 1.140 413 M CB -0.417 32.185 32.600 0.004 0.000 1.369 413 M HN -0.077 nan 8.290 nan 0.000 0.423 414 K N 1.595 122.008 120.400 0.022 0.000 2.032 414 K HA -0.016 4.304 4.320 0.000 0.000 0.209 414 K C 2.147 178.784 176.600 0.062 0.000 1.048 414 K CA 1.463 57.772 56.287 0.037 0.000 0.927 414 K CB -0.982 31.529 32.500 0.019 0.000 0.712 414 K HN 0.496 nan 8.250 nan 0.000 0.441 415 L N 0.466 121.714 121.223 0.042 0.000 2.187 415 L HA -0.161 4.179 4.340 0.000 0.000 0.213 415 L C 2.719 179.670 176.870 0.135 0.000 1.100 415 L CA 0.996 55.875 54.840 0.065 0.000 0.765 415 L CB -0.234 41.847 42.059 0.036 0.000 0.904 415 L HN 0.220 nan 8.230 nan 0.000 0.437 416 R N 0.195 120.753 120.500 0.096 0.000 2.119 416 R HA -0.148 4.192 4.340 0.000 0.000 0.222 416 R C 2.229 178.579 176.300 0.082 0.000 1.088 416 R CA 1.314 57.466 56.100 0.088 0.000 0.984 416 R CB 0.115 30.450 30.300 0.059 0.000 0.884 416 R HN 0.568 nan 8.270 nan 0.000 0.447 417 E N -0.890 119.359 120.200 0.082 0.000 2.076 417 E HA -0.242 4.108 4.350 0.000 0.000 0.190 417 E C 1.783 178.424 176.600 0.068 0.000 0.979 417 E CA 0.821 57.258 56.400 0.062 0.000 0.807 417 E CB -0.825 28.907 29.700 0.053 0.000 0.761 417 E HN 0.434 nan 8.360 nan 0.000 0.454 418 Y N 2.026 122.324 120.300 -0.003 0.000 2.365 418 Y HA -0.222 4.328 4.550 0.000 0.000 0.287 418 Y C 2.259 178.155 175.900 -0.007 0.000 1.162 418 Y CA 1.482 59.576 58.100 -0.010 0.000 1.260 418 Y CB -0.231 38.215 38.460 -0.023 0.000 0.976 418 Y HN 0.180 nan 8.280 nan 0.000 0.548 419 A N 0.147 122.993 122.820 0.043 0.000 2.014 419 A HA -0.096 4.224 4.320 0.000 0.000 0.218 419 A C 2.011 179.548 177.584 -0.078 0.000 1.163 419 A CA 1.402 53.441 52.037 0.003 0.000 0.652 419 A CB -0.431 18.624 19.000 0.091 0.000 0.808 419 A HN 0.668 nan 8.150 nan 0.000 0.449 420 E N -0.369 119.787 120.200 -0.073 0.000 2.158 420 E HA -0.032 4.318 4.350 0.000 0.000 0.191 420 E C 1.627 178.162 176.600 -0.108 0.000 0.982 420 E CA 0.500 56.861 56.400 -0.065 0.000 0.823 420 E CB -0.270 29.409 29.700 -0.036 0.000 0.766 420 E HN 0.538 nan 8.360 nan 0.000 0.468 421 G N 1.750 110.444 108.800 -0.176 0.000 3.262 421 G HA2 0.077 4.037 3.960 0.000 0.000 0.222 421 G HA3 0.077 4.037 3.960 0.000 0.000 0.222 421 G C 0.327 175.080 174.900 -0.245 0.000 1.269 421 G CA -0.006 44.973 45.100 -0.202 0.000 1.032 421 G HN 0.052 nan 8.290 nan 0.000 0.502 422 I N 1.459 121.910 120.570 -0.198 0.000 2.418 422 I HA 0.230 4.400 4.170 0.000 0.000 0.287 422 I C -0.176 175.893 176.117 -0.081 0.000 1.008 422 I CA -0.732 60.475 61.300 -0.155 0.000 1.104 422 I CB 2.075 39.986 38.000 -0.149 0.000 1.264 422 I HN 0.053 nan 8.210 nan 0.000 0.438 423 S N 4.257 119.920 115.700 -0.062 0.000 2.525 423 S HA 0.912 5.383 4.470 0.000 0.000 0.278 423 S C 0.197 174.782 174.600 -0.026 0.000 1.234 423 S CA -0.207 57.971 58.200 -0.038 0.000 1.058 423 S CB 1.821 65.001 63.200 -0.034 0.000 0.983 423 S HN 1.234 nan 8.310 nan 0.000 0.495 424 G N 2.099 110.889 108.800 -0.017 0.000 2.462 424 G HA2 -0.109 3.851 3.960 0.000 0.000 0.685 424 G HA3 -0.109 3.851 3.960 0.000 0.000 0.685 424 G C 0.045 174.943 174.900 -0.002 0.000 1.295 424 G CA -0.466 44.629 45.100 -0.009 0.000 0.941 424 G HN 0.668 nan 8.290 nan 0.000 0.554 425 R N 0.601 121.102 120.500 0.002 0.000 2.096 425 R HA -0.048 4.292 4.340 0.000 0.000 0.235 425 R C 2.576 178.885 176.300 0.016 0.000 1.127 425 R CA 2.157 58.262 56.100 0.009 0.000 0.968 425 R CB -0.346 29.960 30.300 0.011 0.000 0.861 425 R HN 0.824 nan 8.270 nan 0.000 0.440 426 E N 0.647 120.856 120.200 0.015 0.000 2.393 426 E HA -0.309 4.041 4.350 0.000 0.000 0.201 426 E C 1.757 178.385 176.600 0.047 0.000 1.025 426 E CA 1.086 57.503 56.400 0.028 0.000 0.856 426 E CB -0.221 29.495 29.700 0.026 0.000 0.771 426 E HN 0.443 nan 8.360 nan 0.000 0.526 427 Q N 1.058 120.877 119.800 0.031 0.000 2.046 427 Q HA -0.160 4.181 4.340 0.000 0.000 0.200 427 Q C 2.295 178.333 176.000 0.063 0.000 0.975 427 Q CA 1.456 57.280 55.803 0.036 0.000 0.836 427 Q CB -0.074 28.669 28.738 0.009 0.000 0.896 427 Q HN 0.468 nan 8.270 nan 0.000 0.428 428 L N 0.453 121.707 121.223 0.052 0.000 2.043 428 L HA -0.261 4.080 4.340 0.000 0.000 0.212 428 L C 2.649 179.581 176.870 0.103 0.000 1.075 428 L CA 1.249 56.127 54.840 0.063 0.000 0.752 428 L CB -0.884 41.199 42.059 0.040 0.000 0.891 428 L HN 0.285 nan 8.230 nan 0.000 0.432 429 A N -0.051 122.830 122.820 0.100 0.000 1.873 429 A HA -0.207 4.113 4.320 0.000 0.000 0.218 429 A C 2.353 180.134 177.584 0.329 0.000 1.193 429 A CA 2.359 54.495 52.037 0.166 0.000 0.629 429 A CB -1.065 17.988 19.000 0.088 0.000 0.826 429 A HN 0.205 nan 8.150 nan 0.000 0.447 430 V N -0.064 119.996 119.914 0.243 0.000 2.407 430 V HA -0.259 3.861 4.120 0.000 0.000 0.248 430 V C 2.658 178.893 176.094 0.234 0.000 1.055 430 V CA 2.217 64.664 62.300 0.244 0.000 1.049 430 V CB -0.840 31.104 31.823 0.201 0.000 0.662 430 V HN 0.519 nan 8.190 nan 0.000 0.455 431 R N 0.132 120.739 120.500 0.179 0.000 2.075 431 R HA -0.073 4.267 4.340 0.000 0.000 0.232 431 R C 2.466 178.862 176.300 0.159 0.000 1.126 431 R CA 1.386 57.572 56.100 0.143 0.000 0.963 431 R CB -0.600 29.758 30.300 0.097 0.000 0.858 431 R HN 0.518 nan 8.270 nan 0.000 0.435 432 A N 0.802 123.739 122.820 0.195 0.000 1.940 432 A HA -0.197 4.123 4.320 0.000 0.000 0.219 432 A C 1.964 179.657 177.584 0.181 0.000 1.176 432 A CA 1.135 53.290 52.037 0.196 0.000 0.631 432 A CB -0.638 18.517 19.000 0.257 0.000 0.814 432 A HN 0.385 nan 8.150 nan 0.000 0.446 433 F N 0.471 120.473 119.950 0.086 0.000 2.186 433 F HA 0.003 4.530 4.527 0.000 0.000 0.299 433 F C 2.468 178.217 175.800 -0.086 0.000 1.090 433 F CA 1.085 59.006 58.000 -0.133 0.000 1.307 433 F CB -0.047 38.858 39.000 -0.160 0.000 1.019 433 F HN 0.268 nan 8.300 nan 0.000 0.489 434 A N -0.049 122.948 122.820 0.296 0.000 1.872 434 A HA -0.162 4.158 4.320 0.000 0.000 0.214 434 A C 1.838 179.461 177.584 0.064 0.000 1.187 434 A CA 1.849 53.997 52.037 0.185 0.000 0.614 434 A CB -0.881 18.205 19.000 0.143 0.000 0.826 434 A HN 0.372 nan 8.150 nan 0.000 0.442 435 D N 0.233 120.660 120.400 0.045 0.000 2.178 435 D HA -0.016 4.624 4.640 0.000 0.000 0.201 435 D C 2.167 178.441 176.300 -0.045 0.000 0.980 435 D CA 1.275 55.278 54.000 0.005 0.000 0.842 435 D CB -0.393 40.419 40.800 0.019 0.000 0.948 435 D HN 0.415 nan 8.370 nan 0.000 0.472 436 A N 0.950 123.713 122.820 -0.095 0.000 1.892 436 A HA -0.168 4.152 4.320 0.000 0.000 0.218 436 A C 2.260 179.743 177.584 -0.170 0.000 1.188 436 A CA 1.076 53.005 52.037 -0.180 0.000 0.631 436 A CB -0.911 17.866 19.000 -0.372 0.000 0.822 436 A HN 0.268 nan 8.150 nan 0.000 0.447 437 L N -0.620 120.506 121.223 -0.163 0.000 2.353 437 L HA -0.145 4.195 4.340 0.000 0.000 0.220 437 L C 1.917 178.735 176.870 -0.087 0.000 1.133 437 L CA 0.985 55.750 54.840 -0.125 0.000 0.798 437 L CB -0.614 41.403 42.059 -0.070 0.000 0.922 437 L HN 0.479 nan 8.230 nan 0.000 0.445 438 E N -0.369 119.788 120.200 -0.072 0.000 2.512 438 E HA -0.096 4.254 4.350 0.000 0.000 0.195 438 E C 1.930 178.495 176.600 -0.057 0.000 1.083 438 E CA -0.036 56.329 56.400 -0.058 0.000 0.873 438 E CB 0.296 29.970 29.700 -0.044 0.000 0.897 438 E HN 0.249 nan 8.360 nan 0.000 0.514 439 V N 0.743 120.615 119.914 -0.069 0.000 2.719 439 V HA -0.158 3.962 4.120 0.000 0.000 0.252 439 V C 1.664 177.724 176.094 -0.058 0.000 1.065 439 V CA 0.817 63.079 62.300 -0.063 0.000 1.086 439 V CB -0.059 31.719 31.823 -0.075 0.000 0.700 439 V HN 0.283 nan 8.190 nan 0.000 0.467 440 I N 0.944 121.478 120.570 -0.061 0.000 2.233 440 I HA -0.021 4.150 4.170 0.000 0.000 0.243 440 I C 0.041 176.128 176.117 -0.049 0.000 1.093 440 I CA 1.329 62.596 61.300 -0.054 0.000 1.380 440 I CB -2.713 35.254 38.000 -0.055 0.000 1.067 440 I HN 0.340 nan 8.210 nan 0.000 0.413 441 P HA -0.128 nan 4.420 nan 0.000 0.216 441 P C 1.878 179.154 177.300 -0.040 0.000 1.153 441 P CA 1.453 64.527 63.100 -0.043 0.000 0.848 441 P CB -0.059 31.617 31.700 -0.040 0.000 0.787 442 R N -0.298 120.179 120.500 -0.039 0.000 2.070 442 R HA -0.125 4.215 4.340 0.000 0.000 0.232 442 R C 2.381 178.660 176.300 -0.035 0.000 1.138 442 R CA 2.527 58.606 56.100 -0.034 0.000 0.936 442 R CB -1.228 29.052 30.300 -0.033 0.000 0.839 442 R HN 0.222 nan 8.270 nan 0.000 0.429 443 T N -0.943 113.588 114.554 -0.038 0.000 2.915 443 T HA -0.060 4.290 4.350 0.000 0.000 0.269 443 T C 1.932 176.608 174.700 -0.039 0.000 1.071 443 T CA 1.106 63.185 62.100 -0.036 0.000 1.132 443 T CB -0.260 68.587 68.868 -0.036 0.000 0.878 443 T HN 0.220 nan 8.240 nan 0.000 0.479 444 L N 0.803 121.998 121.223 -0.046 0.000 2.083 444 L HA 0.013 4.353 4.340 0.000 0.000 0.209 444 L C 3.342 180.177 176.870 -0.058 0.000 1.083 444 L CA 1.269 56.075 54.840 -0.056 0.000 0.752 444 L CB -0.794 41.226 42.059 -0.065 0.000 0.899 444 L HN 0.422 nan 8.230 nan 0.000 0.433 445 A N -0.199 122.592 122.820 -0.048 0.000 1.898 445 A HA -0.203 4.117 4.320 0.000 0.000 0.216 445 A C 2.164 179.728 177.584 -0.033 0.000 1.181 445 A CA 1.455 53.466 52.037 -0.042 0.000 0.620 445 A CB -0.396 18.584 19.000 -0.032 0.000 0.819 445 A HN 0.394 nan 8.150 nan 0.000 0.442 446 E N 0.090 120.272 120.200 -0.029 0.000 2.033 446 E HA -0.229 4.121 4.350 0.000 0.000 0.199 446 E C 1.847 178.435 176.600 -0.020 0.000 1.011 446 E CA 1.516 57.903 56.400 -0.022 0.000 0.815 446 E CB -0.220 29.466 29.700 -0.022 0.000 0.755 446 E HN 0.576 nan 8.360 nan 0.000 0.451 447 N N 0.483 119.170 118.700 -0.023 0.000 2.205 447 N HA -0.156 4.584 4.740 0.000 0.000 0.186 447 N C 1.530 177.031 175.510 -0.014 0.000 1.015 447 N CA 1.236 54.276 53.050 -0.017 0.000 0.862 447 N CB -0.413 38.063 38.487 -0.020 0.000 0.986 447 N HN 0.155 nan 8.380 nan 0.000 0.429 448 A N -0.205 122.600 122.820 -0.025 0.000 2.067 448 A HA 0.251 4.571 4.320 0.000 0.000 0.219 448 A C 1.779 179.360 177.584 -0.005 0.000 1.158 448 A CA 1.673 53.697 52.037 -0.021 0.000 0.661 448 A CB -0.441 18.529 19.000 -0.050 0.000 0.801 448 A HN 0.409 nan 8.150 nan 0.000 0.452 449 G N -2.621 106.174 108.800 -0.008 0.000 2.201 449 G HA2 -0.153 3.807 3.960 0.000 0.000 0.212 449 G HA3 -0.153 3.807 3.960 0.000 0.000 0.212 449 G C 0.089 174.987 174.900 -0.005 0.000 0.994 449 G CA 0.089 45.187 45.100 -0.003 0.000 0.644 449 G HN 0.397 nan 8.290 nan 0.000 0.508 450 L N 1.108 122.325 121.223 -0.010 0.000 2.475 450 L HA 0.532 4.873 4.340 0.000 0.000 0.253 450 L C 0.754 177.618 176.870 -0.010 0.000 1.198 450 L CA -0.175 54.660 54.840 -0.009 0.000 0.814 450 L CB 0.378 42.429 42.059 -0.014 0.000 1.134 450 L HN 0.166 nan 8.230 nan 0.000 0.478 451 D N 0.137 120.533 120.400 -0.007 0.000 2.374 451 D HA 0.278 4.918 4.640 0.000 0.000 0.240 451 D C 0.851 177.145 176.300 -0.009 0.000 1.229 451 D CA 0.228 54.224 54.000 -0.007 0.000 0.895 451 D CB 1.197 41.994 40.800 -0.004 0.000 1.046 451 D HN 0.578 nan 8.370 nan 0.000 0.498 452 A N 4.709 127.522 122.820 -0.012 0.000 1.948 452 A HA -0.202 4.118 4.320 0.000 0.000 0.220 452 A C 2.175 179.752 177.584 -0.011 0.000 1.177 452 A CA 1.236 53.264 52.037 -0.014 0.000 0.636 452 A CB -0.548 18.442 19.000 -0.017 0.000 0.815 452 A HN 0.763 nan 8.150 nan 0.000 0.449 453 I N -1.113 119.452 120.570 -0.008 0.000 2.286 453 I HA -0.193 3.977 4.170 0.000 0.000 0.245 453 I C 2.534 178.649 176.117 -0.003 0.000 1.104 453 I CA 1.748 63.044 61.300 -0.006 0.000 1.397 453 I CB -0.554 37.443 38.000 -0.004 0.000 1.072 453 I HN 0.452 nan 8.210 nan 0.000 0.417 454 E N 2.185 122.384 120.200 -0.002 0.000 2.007 454 E HA -0.191 4.159 4.350 0.000 0.000 0.194 454 E C 2.211 178.812 176.600 0.002 0.000 0.999 454 E CA 1.554 57.954 56.400 0.001 0.000 0.811 454 E CB -0.259 29.441 29.700 0.000 0.000 0.762 454 E HN 0.323 nan 8.360 nan 0.000 0.450 455 I N 0.381 120.951 120.570 -0.001 0.000 2.300 455 I HA -0.274 3.896 4.170 0.000 0.000 0.252 455 I C 2.252 178.371 176.117 0.002 0.000 1.119 455 I CA 0.821 62.120 61.300 -0.001 0.000 1.384 455 I CB -0.377 37.617 38.000 -0.009 0.000 1.062 455 I HN 0.271 nan 8.210 nan 0.000 0.426 456 L N 0.175 121.398 121.223 -0.001 0.000 2.109 456 L HA -0.121 4.219 4.340 0.000 0.000 0.207 456 L C 2.348 179.224 176.870 0.010 0.000 1.086 456 L CA 1.435 56.276 54.840 0.000 0.000 0.760 456 L CB -0.347 41.708 42.059 -0.007 0.000 0.910 456 L HN -0.031 nan 8.230 nan 0.000 0.437 457 V N -0.782 119.138 119.914 0.010 0.000 2.307 457 V HA -0.264 3.856 4.120 0.000 0.000 0.245 457 V C 2.478 178.586 176.094 0.023 0.000 1.045 457 V CA 1.582 63.891 62.300 0.015 0.000 1.024 457 V CB -0.751 31.079 31.823 0.011 0.000 0.651 457 V HN 0.395 nan 8.190 nan 0.000 0.449 458 K N 0.354 120.765 120.400 0.020 0.000 2.001 458 K HA -0.169 4.151 4.320 0.000 0.000 0.214 458 K C 2.072 178.697 176.600 0.041 0.000 1.050 458 K CA 1.796 58.096 56.287 0.023 0.000 0.934 458 K CB -0.677 31.832 32.500 0.015 0.000 0.718 458 K HN 0.376 nan 8.250 nan 0.000 0.443 459 V N 1.218 121.163 119.914 0.052 0.000 2.867 459 V HA -0.180 3.940 4.120 0.000 0.000 0.260 459 V C 2.211 178.406 176.094 0.170 0.000 1.099 459 V CA 1.427 63.790 62.300 0.105 0.000 1.122 459 V CB -0.583 31.289 31.823 0.082 0.000 0.708 459 V HN 0.284 nan 8.190 nan 0.000 0.490 460 R N -0.457 120.100 120.500 0.094 0.000 2.210 460 R HA 0.125 4.465 4.340 0.000 0.000 0.203 460 R C 2.260 178.618 176.300 0.097 0.000 1.010 460 R CA 0.923 57.076 56.100 0.087 0.000 1.008 460 R CB -0.119 30.203 30.300 0.036 0.000 0.923 460 R HN 0.506 nan 8.270 nan 0.000 0.469 461 A N 0.519 123.381 122.820 0.070 0.000 1.898 461 A HA 0.039 4.359 4.320 0.000 0.000 0.214 461 A C 2.031 179.641 177.584 0.042 0.000 1.183 461 A CA 1.222 53.288 52.037 0.048 0.000 0.622 461 A CB -0.353 18.663 19.000 0.028 0.000 0.824 461 A HN 0.348 nan 8.150 nan 0.000 0.444 462 A N -1.659 121.180 122.820 0.033 0.000 2.264 462 A HA -0.025 4.295 4.320 0.000 0.000 0.207 462 A C 1.298 178.789 177.584 -0.154 0.000 1.196 462 A CA 0.733 52.740 52.037 -0.050 0.000 0.778 462 A CB -0.704 18.251 19.000 -0.075 0.000 0.779 462 A HN 0.641 nan 8.150 nan 0.000 0.483 463 H N -1.306 117.766 119.070 0.003 0.000 2.785 463 H HA 0.319 4.875 4.556 0.000 0.000 0.268 463 H C 0.788 176.119 175.328 0.006 0.000 1.153 463 H CA 0.445 56.496 56.048 0.004 0.000 1.111 463 H CB 0.448 30.213 29.762 0.005 0.000 1.633 463 H HN 0.434 nan 8.280 nan 0.000 0.576 464 A N 1.714 124.581 122.820 0.079 0.000 3.052 464 A HA 0.186 4.506 4.320 0.000 0.000 0.266 464 A C 1.415 179.023 177.584 0.039 0.000 1.855 464 A CA 0.646 52.717 52.037 0.056 0.000 1.473 464 A CB -0.766 18.256 19.000 0.037 0.000 1.038 464 A HN 0.551 nan 8.150 nan 0.000 0.619 465 S N 0.229 115.959 115.700 0.049 0.000 2.378 465 S HA -0.350 4.120 4.470 0.000 0.000 0.240 465 S C 0.958 175.571 174.600 0.022 0.000 1.229 465 S CA 1.571 59.792 58.200 0.036 0.000 1.607 465 S CB -2.362 60.855 63.200 0.028 0.000 2.074 465 S HN 0.988 nan 8.310 nan 0.000 0.620 466 N N 3.359 122.065 118.700 0.010 0.000 2.185 466 N HA 0.423 5.163 4.740 0.000 0.000 0.243 466 N C 1.273 176.772 175.510 -0.018 0.000 1.276 466 N CA 0.381 53.428 53.050 -0.005 0.000 0.941 466 N CB -1.141 37.339 38.487 -0.012 0.000 1.129 466 N HN 0.743 nan 8.380 nan 0.000 0.417 467 G N -0.935 107.839 108.800 -0.043 0.000 2.588 467 G HA2 0.106 4.066 3.960 0.000 0.000 0.278 467 G HA3 0.106 4.066 3.960 0.000 0.000 0.278 467 G C 0.334 175.135 174.900 -0.164 0.000 1.307 467 G CA -0.241 44.811 45.100 -0.080 0.000 1.016 467 G HN 0.470 nan 8.290 nan 0.000 0.503 468 N N -0.879 117.621 118.700 -0.332 0.000 2.397 468 N HA 0.002 4.742 4.740 0.000 0.000 0.190 468 N C 1.484 176.918 175.510 -0.127 0.000 1.099 468 N CA 0.762 53.683 53.050 -0.215 0.000 0.876 468 N CB 0.158 38.516 38.487 -0.215 0.000 1.143 468 N HN 0.799 nan 8.380 nan 0.000 0.468 469 K N -1.651 118.682 120.400 -0.112 0.000 3.572 469 K HA -0.222 4.098 4.320 0.000 0.000 0.306 469 K C -0.057 176.647 176.600 0.173 0.000 1.286 469 K CA 1.668 58.068 56.287 0.189 0.000 1.010 469 K CB -2.012 30.550 32.500 0.103 0.000 1.268 469 K HN 0.213 nan 8.250 nan 0.000 0.438 470 c N 0.875 119.502 118.600 0.046 0.000 3.512 470 c HA 0.580 5.150 4.570 0.000 0.000 0.276 470 c C 0.634 174.732 174.090 0.012 0.000 1.592 470 c CA -0.052 56.300 56.329 0.038 0.000 1.803 470 c CB 0.366 42.880 42.510 0.006 0.000 2.996 470 c HN 0.580 nan 8.230 nan 0.000 0.590 471 A N 0.983 123.774 122.820 -0.049 0.000 2.343 471 A HA 0.659 4.979 4.320 0.000 0.000 0.305 471 A C 0.450 178.107 177.584 0.122 0.000 1.308 471 A CA 0.370 52.371 52.037 -0.060 0.000 0.949 471 A CB -0.147 18.678 19.000 -0.291 0.000 1.148 471 A HN 0.581 nan 8.150 nan 0.000 0.545 472 G N 0.836 109.675 108.800 0.064 0.000 2.680 472 G HA2 0.540 4.500 3.960 0.000 0.000 0.290 472 G HA3 0.540 4.500 3.960 0.000 0.000 0.290 472 G C -1.083 173.826 174.900 0.015 0.000 1.355 472 G CA -0.757 44.377 45.100 0.058 0.000 0.903 472 G HN 0.965 nan 8.290 nan 0.000 0.474 473 L N 1.112 122.332 121.223 -0.005 0.000 2.315 473 L HA 0.412 4.752 4.340 0.000 0.000 0.283 473 L C -0.070 176.759 176.870 -0.068 0.000 1.089 473 L CA -0.920 53.902 54.840 -0.031 0.000 0.833 473 L CB 0.539 42.575 42.059 -0.038 0.000 1.170 473 L HN 0.409 nan 8.230 nan 0.000 0.442 474 N N 3.780 122.442 118.700 -0.065 0.000 2.408 474 N HA 0.075 4.816 4.740 0.000 0.000 0.257 474 N C 0.958 176.367 175.510 -0.168 0.000 1.064 474 N CA 0.089 53.071 53.050 -0.114 0.000 0.952 474 N CB 1.537 40.006 38.487 -0.030 0.000 1.093 474 N HN 0.662 nan 8.380 nan 0.000 0.490 475 V N 2.082 121.782 119.914 -0.356 0.000 3.305 475 V HA 0.021 4.141 4.120 0.000 0.000 0.269 475 V C 1.088 177.022 176.094 -0.268 0.000 1.157 475 V CA 1.006 63.103 62.300 -0.339 0.000 1.157 475 V CB -0.965 30.616 31.823 -0.404 0.000 0.772 475 V HN 0.341 nan 8.190 nan 0.000 0.498 476 F N 1.369 121.320 119.950 0.002 0.000 2.208 476 F HA 0.162 4.689 4.527 0.000 0.000 0.282 476 F C 2.679 178.480 175.800 0.002 0.000 1.071 476 F CA 1.146 59.147 58.000 0.002 0.000 1.228 476 F CB -1.735 37.266 39.000 0.001 0.000 1.088 476 F HN 0.008 nan 8.300 nan 0.000 0.512 477 T N -0.175 114.493 114.554 0.190 0.000 2.564 477 T HA -0.134 4.216 4.350 0.000 0.000 0.264 477 T C 2.028 176.763 174.700 0.058 0.000 1.100 477 T CA 2.617 64.774 62.100 0.095 0.000 1.171 477 T CB -1.236 67.668 68.868 0.060 0.000 0.863 477 T HN 0.638 nan 8.240 nan 0.000 0.430 478 G N 0.904 109.719 108.800 0.026 0.000 2.259 478 G HA2 0.065 4.025 3.960 0.000 0.000 0.217 478 G HA3 0.065 4.025 3.960 0.000 0.000 0.217 478 G C 0.110 175.012 174.900 0.002 0.000 1.001 478 G CA 0.115 45.221 45.100 0.011 0.000 0.627 478 G HN 1.083 nan 8.290 nan 0.000 0.501 479 A N -0.391 122.433 122.820 0.007 0.000 2.350 479 A HA 0.883 5.203 4.320 0.000 0.000 0.318 479 A C 0.290 177.875 177.584 0.000 0.000 1.132 479 A CA 0.201 52.240 52.037 0.004 0.000 0.811 479 A CB 1.842 20.847 19.000 0.009 0.000 1.313 479 A HN 1.692 nan 8.150 nan 0.000 0.454 480 V N 0.980 120.895 119.914 0.001 0.000 2.508 480 V HA 0.376 4.496 4.120 0.000 0.000 0.281 480 V C -0.035 176.059 176.094 -0.001 0.000 1.041 480 V CA 0.547 62.848 62.300 0.001 0.000 1.016 480 V CB 0.066 31.894 31.823 0.008 0.000 0.984 480 V HN 0.938 nan 8.190 nan 0.000 0.478 481 E N 3.923 124.123 120.200 -0.000 0.000 2.428 481 E HA 0.378 4.728 4.350 0.000 0.000 0.259 481 E C -1.310 175.288 176.600 -0.005 0.000 0.930 481 E CA -0.921 55.479 56.400 -0.000 0.000 0.823 481 E CB 1.364 31.069 29.700 0.010 0.000 1.403 481 E HN 0.725 nan 8.360 nan 0.000 0.415 482 D N 1.459 121.857 120.400 -0.004 0.000 2.428 482 D HA 0.107 4.747 4.640 0.000 0.000 0.221 482 D C 0.768 177.070 176.300 0.004 0.000 1.123 482 D CA -0.134 53.862 54.000 -0.008 0.000 0.869 482 D CB 0.770 41.562 40.800 -0.013 0.000 1.032 482 D HN 0.337 nan 8.370 nan 0.000 0.506 483 M N 1.911 121.516 119.600 0.008 0.000 2.213 483 M HA -0.134 4.346 4.480 0.000 0.000 0.263 483 M C 2.245 178.554 176.300 0.015 0.000 1.062 483 M CA 0.678 55.986 55.300 0.014 0.000 1.105 483 M CB -0.845 31.765 32.600 0.016 0.000 1.385 483 M HN 0.507 nan 8.290 nan 0.000 0.417 484 c N 0.544 119.151 118.600 0.012 0.000 2.422 484 c HA -0.141 4.429 4.570 0.000 0.000 0.279 484 c C 2.550 176.647 174.090 0.011 0.000 1.305 484 c CA 0.918 57.254 56.329 0.011 0.000 1.757 484 c CB -0.944 41.571 42.510 0.009 0.000 1.962 484 c HN 0.566 nan 8.230 nan 0.000 0.499 485 E N 0.380 120.586 120.200 0.010 0.000 2.250 485 E HA -0.050 4.300 4.350 0.000 0.000 0.192 485 E C 1.249 177.859 176.600 0.016 0.000 0.986 485 E CA 0.505 56.912 56.400 0.010 0.000 0.849 485 E CB -0.083 29.621 29.700 0.007 0.000 0.797 485 E HN 0.575 nan 8.360 nan 0.000 0.482 486 N N 0.080 118.793 118.700 0.021 0.000 2.461 486 N HA 0.023 4.763 4.740 0.000 0.000 0.188 486 N C 0.525 176.056 175.510 0.035 0.000 1.134 486 N CA 0.860 53.930 53.050 0.032 0.000 0.878 486 N CB 0.765 39.276 38.487 0.041 0.000 0.972 486 N HN 0.215 nan 8.380 nan 0.000 0.456 487 G N -0.294 108.522 108.800 0.026 0.000 2.198 487 G HA2 -0.243 3.717 3.960 0.000 0.000 0.257 487 G HA3 -0.243 3.717 3.960 0.000 0.000 0.257 487 G C -0.394 174.524 174.900 0.029 0.000 1.042 487 G CA 0.065 45.180 45.100 0.026 0.000 0.791 487 G HN 0.187 nan 8.290 nan 0.000 0.502 488 V N 1.023 120.952 119.914 0.026 0.000 2.277 488 V HA 0.596 4.716 4.120 0.000 0.000 0.269 488 V C 0.593 176.696 176.094 0.015 0.000 1.036 488 V CA -0.079 62.234 62.300 0.022 0.000 0.821 488 V CB 1.038 32.871 31.823 0.017 0.000 1.052 488 V HN 1.054 nan 8.190 nan 0.000 0.462 489 V N 1.846 121.769 119.914 0.014 0.000 3.007 489 V HA 0.825 4.945 4.120 0.000 0.000 0.311 489 V C -0.866 175.233 176.094 0.008 0.000 1.120 489 V CA -0.854 61.453 62.300 0.011 0.000 0.980 489 V CB 2.503 34.332 31.823 0.011 0.000 1.033 489 V HN 0.695 nan 8.190 nan 0.000 0.429 490 E N 2.556 122.760 120.200 0.006 0.000 2.308 490 E HA 0.539 4.889 4.350 0.000 0.000 0.275 490 E C -2.979 173.622 176.600 0.002 0.000 0.890 490 E CA -1.957 54.445 56.400 0.003 0.000 0.754 490 E CB 2.933 32.633 29.700 -0.000 0.000 1.207 490 E HN 0.585 nan 8.360 nan 0.000 0.426 491 P HA -0.125 nan 4.420 nan 0.000 0.269 491 P C 0.311 177.610 177.300 -0.001 0.000 1.205 491 P CA -0.093 63.007 63.100 0.000 0.000 0.780 491 P CB 0.580 32.280 31.700 -0.001 0.000 0.858 492 L N 2.483 123.705 121.223 -0.001 0.000 2.156 492 L HA -0.009 4.331 4.340 0.000 0.000 0.208 492 L C 2.296 179.164 176.870 -0.004 0.000 1.095 492 L CA 1.562 56.401 54.840 -0.002 0.000 0.770 492 L CB -0.756 41.302 42.059 -0.003 0.000 0.914 492 L HN 0.237 nan 8.230 nan 0.000 0.439 493 R N -1.058 119.440 120.500 -0.003 0.000 2.170 493 R HA -0.157 4.183 4.340 0.000 0.000 0.242 493 R C 2.019 178.317 176.300 -0.004 0.000 1.145 493 R CA 1.571 57.668 56.100 -0.004 0.000 0.984 493 R CB -0.236 30.063 30.300 -0.003 0.000 0.869 493 R HN 0.352 nan 8.270 nan 0.000 0.455 494 V N 0.971 120.883 119.914 -0.005 0.000 2.358 494 V HA -0.224 3.896 4.120 0.000 0.000 0.246 494 V C 2.079 178.168 176.094 -0.008 0.000 1.047 494 V CA 1.690 63.986 62.300 -0.007 0.000 1.035 494 V CB -0.212 31.607 31.823 -0.007 0.000 0.658 494 V HN 0.287 nan 8.190 nan 0.000 0.452 495 K N 0.098 120.493 120.400 -0.008 0.000 2.262 495 K HA -0.000 4.320 4.320 0.000 0.000 0.200 495 K C 2.210 178.808 176.600 -0.004 0.000 1.049 495 K CA 1.427 57.709 56.287 -0.008 0.000 0.979 495 K CB -0.398 32.096 32.500 -0.009 0.000 0.773 495 K HN 0.699 nan 8.250 nan 0.000 0.474 496 T N -0.456 114.096 114.554 -0.004 0.000 2.735 496 T HA -0.167 4.183 4.350 0.000 0.000 0.256 496 T C 2.171 176.871 174.700 0.000 0.000 1.042 496 T CA 0.997 63.095 62.100 -0.002 0.000 1.147 496 T CB -0.261 68.604 68.868 -0.006 0.000 0.865 496 T HN -0.009 nan 8.240 nan 0.000 0.421 497 Q N 2.104 121.903 119.800 -0.002 0.000 2.045 497 Q HA -0.024 4.316 4.340 0.000 0.000 0.206 497 Q C 2.464 178.463 176.000 -0.001 0.000 0.991 497 Q CA 2.428 58.230 55.803 -0.001 0.000 0.851 497 Q CB -1.128 27.608 28.738 -0.003 0.000 0.911 497 Q HN 0.676 nan 8.270 nan 0.000 0.418 498 A N 0.106 122.923 122.820 -0.006 0.000 1.883 498 A HA -0.177 4.143 4.320 0.000 0.000 0.217 498 A C 2.196 179.773 177.584 -0.011 0.000 1.186 498 A CA 1.723 53.753 52.037 -0.012 0.000 0.624 498 A CB -0.879 18.110 19.000 -0.019 0.000 0.822 498 A HN 0.512 nan 8.150 nan 0.000 0.444 499 I N -0.920 119.651 120.570 0.001 0.000 2.361 499 I HA -0.268 3.902 4.170 0.000 0.000 0.251 499 I C 2.766 178.918 176.117 0.059 0.000 1.133 499 I CA 1.629 62.945 61.300 0.028 0.000 1.413 499 I CB -0.160 37.878 38.000 0.064 0.000 1.073 499 I HN 0.517 nan 8.210 nan 0.000 0.424 500 Q N 0.180 120.003 119.800 0.038 0.000 2.204 500 Q HA -0.115 4.225 4.340 0.000 0.000 0.198 500 Q C 2.293 178.313 176.000 0.033 0.000 0.946 500 Q CA 1.436 57.264 55.803 0.042 0.000 0.859 500 Q CB 0.213 28.964 28.738 0.023 0.000 0.946 500 Q HN 0.537 nan 8.270 nan 0.000 0.474 501 S N -0.086 115.624 115.700 0.017 0.000 2.453 501 S HA 0.002 4.472 4.470 0.000 0.000 0.231 501 S C 1.921 176.525 174.600 0.007 0.000 1.005 501 S CA 0.679 58.886 58.200 0.012 0.000 0.949 501 S CB -0.039 63.163 63.200 0.004 0.000 0.774 501 S HN 0.405 nan 8.310 nan 0.000 0.510 502 A N 1.652 124.468 122.820 -0.006 0.000 1.970 502 A HA 0.492 4.813 4.320 0.000 0.000 0.216 502 A C 2.373 179.946 177.584 -0.019 0.000 1.170 502 A CA 1.172 53.189 52.037 -0.033 0.000 0.645 502 A CB -1.039 17.913 19.000 -0.080 0.000 0.816 502 A HN 0.654 nan 8.150 nan 0.000 0.447 503 A N -0.069 122.770 122.820 0.032 0.000 1.874 503 A HA -0.069 4.251 4.320 0.000 0.000 0.214 503 A C 1.925 179.572 177.584 0.105 0.000 1.189 503 A CA 1.322 53.422 52.037 0.104 0.000 0.615 503 A CB -0.465 18.662 19.000 0.211 0.000 0.830 503 A HN 0.537 nan 8.150 nan 0.000 0.443 504 E N 0.386 120.631 120.200 0.075 0.000 2.077 504 E HA -0.177 4.174 4.350 0.000 0.000 0.193 504 E C 2.450 179.087 176.600 0.062 0.000 0.989 504 E CA 1.660 58.099 56.400 0.066 0.000 0.800 504 E CB -0.224 29.502 29.700 0.044 0.000 0.746 504 E HN 0.763 nan 8.360 nan 0.000 0.452 505 S N 0.824 116.551 115.700 0.047 0.000 2.357 505 S HA -0.154 4.316 4.470 0.000 0.000 0.221 505 S C 2.353 176.985 174.600 0.053 0.000 1.031 505 S CA 1.765 59.989 58.200 0.040 0.000 0.982 505 S CB -0.810 62.403 63.200 0.023 0.000 0.853 505 S HN 0.359 nan 8.310 nan 0.000 0.458 506 T N -0.093 114.498 114.554 0.061 0.000 2.929 506 T HA -0.009 4.341 4.350 0.000 0.000 0.271 506 T C 1.583 176.364 174.700 0.136 0.000 1.085 506 T CA 1.339 63.492 62.100 0.089 0.000 1.125 506 T CB -0.628 68.296 68.868 0.094 0.000 0.874 506 T HN 0.599 nan 8.240 nan 0.000 0.494 507 E N 1.063 121.356 120.200 0.154 0.000 2.051 507 E HA -0.099 4.251 4.350 0.000 0.000 0.192 507 E C 2.270 178.924 176.600 0.091 0.000 0.991 507 E CA 1.664 58.156 56.400 0.152 0.000 0.799 507 E CB -0.316 29.474 29.700 0.151 0.000 0.748 507 E HN 0.781 nan 8.360 nan 0.000 0.449 508 M N 0.197 119.841 119.600 0.073 0.000 2.229 508 M HA -0.110 4.370 4.480 0.000 0.000 0.264 508 M C 1.877 178.207 176.300 0.049 0.000 1.063 508 M CA 1.482 56.815 55.300 0.054 0.000 1.114 508 M CB -0.088 32.539 32.600 0.045 0.000 1.387 508 M HN 0.048 nan 8.290 nan 0.000 0.420 509 L N 0.695 121.949 121.223 0.051 0.000 2.093 509 L HA -0.117 4.223 4.340 0.000 0.000 0.208 509 L C 2.409 179.303 176.870 0.039 0.000 1.085 509 L CA 1.125 55.991 54.840 0.044 0.000 0.755 509 L CB -0.512 41.571 42.059 0.040 0.000 0.904 509 L HN 0.446 nan 8.230 nan 0.000 0.435 510 L N -0.893 120.354 121.223 0.040 0.000 2.291 510 L HA -0.134 4.207 4.340 0.000 0.000 0.214 510 L C 2.463 179.342 176.870 0.016 0.000 1.120 510 L CA 0.721 55.573 54.840 0.020 0.000 0.799 510 L CB -0.400 41.662 42.059 0.005 0.000 0.925 510 L HN 0.179 nan 8.230 nan 0.000 0.446 511 R N -0.114 120.404 120.500 0.030 0.000 2.276 511 R HA 0.100 4.441 4.340 0.000 0.000 0.203 511 R C 0.429 176.746 176.300 0.028 0.000 1.017 511 R CA 0.297 56.417 56.100 0.034 0.000 1.010 511 R CB -0.004 30.321 30.300 0.042 0.000 0.900 511 R HN 0.264 nan 8.270 nan 0.000 0.469 512 I N 1.931 122.518 120.570 0.028 0.000 2.371 512 I HA -0.038 4.132 4.170 0.000 0.000 0.290 512 I C 0.578 176.710 176.117 0.024 0.000 1.028 512 I CA 0.048 61.366 61.300 0.030 0.000 1.345 512 I CB 1.249 39.273 38.000 0.041 0.000 1.407 512 I HN 0.107 nan 8.210 nan 0.000 0.501 513 D N 2.984 123.398 120.400 0.023 0.000 2.502 513 D HA 0.096 4.736 4.640 0.000 0.000 0.232 513 D C -0.047 176.271 176.300 0.031 0.000 1.137 513 D CA 0.012 54.023 54.000 0.018 0.000 0.827 513 D CB 0.453 41.253 40.800 -0.001 0.000 1.141 513 D HN 0.273 nan 8.370 nan 0.000 0.517 514 D N 0.372 120.791 120.400 0.032 0.000 2.780 514 D HA 0.438 5.078 4.640 0.000 0.000 0.242 514 D C -1.071 175.243 176.300 0.024 0.000 1.135 514 D CA -0.577 53.441 54.000 0.029 0.000 0.859 514 D CB 2.817 43.625 40.800 0.013 0.000 1.530 514 D HN -0.175 nan 8.370 nan 0.000 0.493 515 V N 3.223 123.145 119.914 0.013 0.000 2.864 515 V HA 0.584 4.705 4.120 0.000 0.000 0.314 515 V C 0.168 176.192 176.094 -0.116 0.000 1.073 515 V CA -0.771 61.511 62.300 -0.029 0.000 0.956 515 V CB 2.130 33.958 31.823 0.007 0.000 1.023 515 V HN 0.489 nan 8.190 nan 0.000 0.435 516 I N 2.829 123.331 120.570 -0.114 0.000 2.698 516 I HA 0.546 4.716 4.170 0.000 0.000 0.276 516 I C 0.208 176.242 176.117 -0.139 0.000 1.166 516 I CA -0.250 60.970 61.300 -0.133 0.000 1.101 516 I CB 1.265 39.217 38.000 -0.080 0.000 1.305 516 I HN 0.703 nan 8.210 nan 0.000 0.526 517 A N 3.991 126.687 122.820 -0.207 0.000 2.301 517 A HA 0.893 5.214 4.320 0.000 0.000 0.298 517 A C 0.136 177.642 177.584 -0.130 0.000 1.185 517 A CA -0.162 51.775 52.037 -0.168 0.000 0.830 517 A CB 0.812 19.684 19.000 -0.213 0.000 1.112 517 A HN 0.660 nan 8.150 nan 0.000 0.508 518 A N 1.540 124.309 122.820 -0.086 0.000 2.312 518 A HA 0.846 5.167 4.320 0.000 0.000 0.310 518 A C 0.335 177.890 177.584 -0.049 0.000 1.139 518 A CA -0.058 51.941 52.037 -0.064 0.000 0.886 518 A CB 0.444 19.415 19.000 -0.049 0.000 1.350 518 A HN 1.220 nan 8.150 nan 0.000 0.479 519 E N 0.000 120.178 120.200 -0.037 0.000 2.725 519 E HA 0.000 4.350 4.350 0.000 0.000 0.291 519 E CA 0.000 56.384 56.400 -0.026 0.000 0.976 519 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440