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_G 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 0.262 119.825 119.600 -0.061 0.000 1.778 12 M HA 0.239 4.719 4.480 0.000 0.000 0.200 12 M C -0.542 175.712 176.300 -0.076 0.000 1.294 12 M CA 0.349 55.615 55.300 -0.056 0.000 0.913 12 M CB 0.913 33.482 32.600 -0.051 0.000 1.645 12 M HN 0.042 nan 8.290 nan 0.000 0.598 13 K N 1.315 121.635 120.400 -0.133 0.000 2.507 13 K HA 0.600 4.920 4.320 0.000 0.000 0.251 13 K C -1.081 175.299 176.600 -0.366 0.000 0.943 13 K CA -0.455 55.698 56.287 -0.224 0.000 0.794 13 K CB 3.211 35.559 32.500 -0.254 0.000 1.188 13 K HN 0.026 nan 8.250 nan 0.000 0.428 14 R N 2.604 122.880 120.500 -0.373 0.000 2.604 14 R HA 0.381 4.722 4.340 0.000 0.000 0.281 14 R C -1.666 174.477 176.300 -0.261 0.000 1.020 14 R CA -0.605 55.279 56.100 -0.360 0.000 0.899 14 R CB 0.999 31.213 30.300 -0.143 0.000 1.205 14 R HN 0.421 nan 8.270 nan 0.000 0.450 15 Y N 3.530 123.825 120.300 -0.009 0.000 2.352 15 Y HA 0.465 5.015 4.550 0.000 0.000 0.339 15 Y C 0.068 175.967 175.900 -0.001 0.000 0.992 15 Y CA -1.232 56.866 58.100 -0.003 0.000 1.100 15 Y CB 1.881 40.341 38.460 0.001 0.000 1.192 15 Y HN 0.305 nan 8.280 nan 0.000 0.458 16 M N 2.190 121.888 119.600 0.164 0.000 2.238 16 M HA 0.393 4.873 4.480 0.000 0.000 0.350 16 M C 1.100 177.433 176.300 0.056 0.000 1.138 16 M CA -0.109 55.240 55.300 0.081 0.000 1.040 16 M CB 1.052 33.685 32.600 0.055 0.000 1.639 16 M HN 0.922 nan 8.290 nan 0.000 0.451 17 G N 4.167 112.988 108.800 0.035 0.000 2.692 17 G HA2 -0.396 3.564 3.960 0.000 0.000 0.339 17 G HA3 -0.396 3.564 3.960 0.000 0.000 0.339 17 G C 0.984 175.887 174.900 0.005 0.000 1.226 17 G CA 1.053 46.159 45.100 0.010 0.000 0.979 17 G HN 0.723 nan 8.290 nan 0.000 0.549 18 R N 0.736 121.232 120.500 -0.006 0.000 2.241 18 R HA 0.089 4.429 4.340 0.000 0.000 0.224 18 R C 2.107 178.401 176.300 -0.010 0.000 1.101 18 R CA 1.386 57.478 56.100 -0.013 0.000 0.995 18 R CB -0.239 30.049 30.300 -0.019 0.000 0.870 18 R HN 0.494 nan 8.270 nan 0.000 0.463 19 D N 0.141 120.540 120.400 -0.001 0.000 2.120 19 D HA 0.008 4.648 4.640 0.000 0.000 0.202 19 D C 1.797 178.098 176.300 0.001 0.000 0.972 19 D CA 1.379 55.367 54.000 -0.021 0.000 0.837 19 D CB -0.125 40.665 40.800 -0.017 0.000 0.989 19 D HN 0.202 nan 8.370 nan 0.000 0.469 20 A N 0.447 123.309 122.820 0.071 0.000 1.930 20 A HA -0.182 4.138 4.320 0.000 0.000 0.217 20 A C 2.104 179.735 177.584 0.078 0.000 1.175 20 A CA 1.305 53.416 52.037 0.124 0.000 0.627 20 A CB -0.473 18.606 19.000 0.133 0.000 0.815 20 A HN 0.183 nan 8.150 nan 0.000 0.443 21 Q N -1.083 118.740 119.800 0.038 0.000 2.046 21 Q HA -0.134 4.206 4.340 0.000 0.000 0.200 21 Q C 2.355 178.362 176.000 0.012 0.000 0.975 21 Q CA 1.615 57.431 55.803 0.021 0.000 0.836 21 Q CB -0.145 28.593 28.738 -0.001 0.000 0.896 21 Q HN 0.671 nan 8.270 nan 0.000 0.428 22 R N -0.038 120.460 120.500 -0.003 0.000 2.120 22 R HA -0.173 4.167 4.340 0.000 0.000 0.234 22 R C 2.061 178.353 176.300 -0.014 0.000 1.123 22 R CA 1.340 57.430 56.100 -0.016 0.000 0.975 22 R CB -0.082 30.200 30.300 -0.030 0.000 0.866 22 R HN 0.173 nan 8.270 nan 0.000 0.446 23 M N 0.907 120.507 119.600 -0.001 0.000 2.065 23 M HA -0.146 4.334 4.480 0.000 0.000 0.259 23 M C 1.433 177.773 176.300 0.067 0.000 1.069 23 M CA 1.823 57.149 55.300 0.044 0.000 1.110 23 M CB -0.270 32.379 32.600 0.082 0.000 1.328 23 M HN 0.181 nan 8.290 nan 0.000 0.405 24 N N -0.063 118.677 118.700 0.067 0.000 2.135 24 N HA -0.030 4.710 4.740 0.000 0.000 0.186 24 N C 1.871 177.354 175.510 -0.046 0.000 1.027 24 N CA 1.619 54.677 53.050 0.013 0.000 0.849 24 N CB -0.474 38.049 38.487 0.059 0.000 1.002 24 N HN 0.414 nan 8.380 nan 0.000 0.425 25 I N 0.982 121.541 120.570 -0.018 0.000 2.264 25 I HA -0.241 3.929 4.170 0.000 0.000 0.248 25 I C 2.289 178.380 176.117 -0.043 0.000 1.111 25 I CA 0.865 62.151 61.300 -0.022 0.000 1.382 25 I CB -0.179 37.816 38.000 -0.009 0.000 1.060 25 I HN 0.082 nan 8.210 nan 0.000 0.418 26 L N 0.764 121.957 121.223 -0.050 0.000 2.068 26 L HA -0.056 4.284 4.340 0.000 0.000 0.204 26 L C 2.712 179.525 176.870 -0.097 0.000 1.076 26 L CA 1.499 56.305 54.840 -0.057 0.000 0.753 26 L CB -0.343 41.691 42.059 -0.042 0.000 0.910 26 L HN 0.139 nan 8.230 nan 0.000 0.439 27 A N -0.263 122.453 122.820 -0.172 0.000 1.978 27 A HA -0.149 4.171 4.320 0.000 0.000 0.220 27 A C 2.244 179.697 177.584 -0.218 0.000 1.170 27 A CA 1.689 53.535 52.037 -0.319 0.000 0.636 27 A CB -1.495 16.971 19.000 -0.889 0.000 0.810 27 A HN 0.556 nan 8.150 nan 0.000 0.448 28 G N -0.483 108.223 108.800 -0.156 0.000 2.414 28 G HA2 -0.212 3.748 3.960 0.000 0.000 0.215 28 G HA3 -0.212 3.748 3.960 0.000 0.000 0.215 28 G C 1.684 176.540 174.900 -0.073 0.000 1.188 28 G CA 0.756 45.798 45.100 -0.097 0.000 0.783 28 G HN 0.566 nan 8.290 nan 0.000 0.537 29 R N -0.239 120.224 120.500 -0.063 0.000 2.200 29 R HA 0.039 4.379 4.340 0.000 0.000 0.234 29 R C 2.405 178.676 176.300 -0.048 0.000 1.127 29 R CA 0.766 56.836 56.100 -0.049 0.000 0.989 29 R CB -0.296 29.980 30.300 -0.040 0.000 0.869 29 R HN 0.400 nan 8.270 nan 0.000 0.459 30 I N 0.737 121.273 120.570 -0.056 0.000 2.400 30 I HA -0.174 3.996 4.170 0.000 0.000 0.248 30 I C 2.246 178.339 176.117 -0.040 0.000 1.109 30 I CA 0.877 62.150 61.300 -0.045 0.000 1.425 30 I CB -0.013 37.959 38.000 -0.046 0.000 1.094 30 I HN 0.137 nan 8.210 nan 0.000 0.425 31 I N -1.377 119.166 120.570 -0.046 0.000 2.928 31 I HA 0.002 4.172 4.170 0.000 0.000 0.266 31 I C 2.470 178.566 176.117 -0.034 0.000 1.234 31 I CA 0.962 62.241 61.300 -0.035 0.000 1.483 31 I CB -0.642 37.338 38.000 -0.034 0.000 1.097 31 I HN 0.011 nan 8.210 nan 0.000 0.455 32 A N 2.019 124.815 122.820 -0.039 0.000 1.855 32 A HA -0.161 4.159 4.320 0.000 0.000 0.215 32 A C 2.168 179.732 177.584 -0.034 0.000 1.191 32 A CA 1.595 53.609 52.037 -0.039 0.000 0.613 32 A CB -0.713 18.261 19.000 -0.044 0.000 0.829 32 A HN 0.508 nan 8.150 nan 0.000 0.442 33 E N -0.890 119.291 120.200 -0.033 0.000 2.463 33 E HA -0.080 4.270 4.350 0.000 0.000 0.201 33 E C 1.442 178.028 176.600 -0.024 0.000 1.045 33 E CA 1.007 57.391 56.400 -0.028 0.000 0.872 33 E CB -0.155 29.529 29.700 -0.027 0.000 0.797 33 E HN 0.521 nan 8.360 nan 0.000 0.538 34 T N -0.583 113.957 114.554 -0.023 0.000 3.067 34 T HA -0.039 4.311 4.350 0.000 0.000 0.261 34 T C 1.515 176.204 174.700 -0.018 0.000 1.110 34 T CA 0.972 63.061 62.100 -0.019 0.000 1.113 34 T CB 0.370 69.228 68.868 -0.017 0.000 0.917 34 T HN 0.180 nan 8.240 nan 0.000 0.499 35 V N -2.367 117.534 119.914 -0.021 0.000 3.502 35 V HA 0.417 4.537 4.120 0.000 0.000 0.288 35 V C 1.861 177.942 176.094 -0.022 0.000 1.461 35 V CA -0.273 62.015 62.300 -0.020 0.000 1.029 35 V CB -0.314 31.498 31.823 -0.020 0.000 0.843 35 V HN 0.096 nan 8.190 nan 0.000 0.438 36 R N 2.303 122.788 120.500 -0.025 0.000 2.174 36 R HA -0.184 4.156 4.340 0.000 0.000 0.253 36 R C 2.394 178.680 176.300 -0.023 0.000 1.165 36 R CA 2.100 58.184 56.100 -0.027 0.000 0.984 36 R CB -0.322 29.962 30.300 -0.028 0.000 0.873 36 R HN 0.812 nan 8.270 nan 0.000 0.456 37 S N -0.993 114.696 115.700 -0.019 0.000 2.527 37 S HA -0.058 4.412 4.470 0.000 0.000 0.222 37 S C 1.680 176.273 174.600 -0.013 0.000 0.985 37 S CA 1.005 59.196 58.200 -0.015 0.000 0.921 37 S CB 0.213 63.405 63.200 -0.013 0.000 0.772 37 S HN 0.407 nan 8.310 nan 0.000 0.529 38 T N -0.685 113.861 114.554 -0.014 0.000 3.086 38 T HA 0.351 4.701 4.350 0.000 0.000 0.250 38 T C 0.313 175.006 174.700 -0.012 0.000 1.074 38 T CA -0.473 61.621 62.100 -0.010 0.000 0.988 38 T CB -0.482 68.381 68.868 -0.009 0.000 0.988 38 T HN 0.344 nan 8.240 nan 0.000 0.530 39 L N 2.363 123.575 121.223 -0.018 0.000 2.361 39 L HA 0.565 4.905 4.340 0.000 0.000 0.278 39 L C 0.762 177.615 176.870 -0.027 0.000 1.113 39 L CA 1.204 56.029 54.840 -0.024 0.000 0.849 39 L CB -0.235 41.806 42.059 -0.030 0.000 1.155 39 L HN 0.659 nan 8.230 nan 0.000 0.452 40 G N 4.136 112.920 108.800 -0.027 0.000 2.661 40 G HA2 -0.173 3.787 3.960 0.000 0.000 0.685 40 G HA3 -0.173 3.787 3.960 0.000 0.000 0.685 40 G C -2.574 172.318 174.900 -0.014 0.000 1.298 40 G CA -0.458 44.619 45.100 -0.037 0.000 0.855 40 G HN 0.458 nan 8.290 nan 0.000 0.560 41 P HA 0.053 nan 4.420 nan 0.000 0.216 41 P C 1.321 178.666 177.300 0.075 0.000 1.153 41 P CA 1.234 64.373 63.100 0.065 0.000 0.844 41 P CB 0.127 31.907 31.700 0.133 0.000 0.787 42 K N 0.341 120.759 120.400 0.029 0.000 2.665 42 K HA 0.233 4.553 4.320 0.000 0.000 0.214 42 K C 0.969 177.578 176.600 0.016 0.000 1.032 42 K CA 0.078 56.389 56.287 0.040 0.000 1.198 42 K CB -0.562 31.949 32.500 0.017 0.000 0.941 42 K HN 0.117 nan 8.250 nan 0.000 0.491 43 G N 0.484 109.291 108.800 0.013 0.000 2.437 43 G HA2 0.458 4.418 3.960 0.000 0.000 0.319 43 G HA3 0.458 4.418 3.960 0.000 0.000 0.319 43 G C -0.054 174.852 174.900 0.010 0.000 1.158 43 G CA -0.565 44.538 45.100 0.004 0.000 0.899 43 G HN -0.051 nan 8.290 nan 0.000 0.502 44 M N 0.527 120.129 119.600 0.004 0.000 2.573 44 M HA 0.375 4.855 4.480 0.000 0.000 0.309 44 M C -0.799 175.501 176.300 0.001 0.000 1.202 44 M CA -0.648 54.654 55.300 0.004 0.000 0.975 44 M CB 1.685 34.286 32.600 0.001 0.000 1.600 44 M HN 0.351 nan 8.290 nan 0.000 0.479 45 D N 1.218 121.618 120.400 -0.000 0.000 2.217 45 D HA 0.370 5.010 4.640 0.000 0.000 0.248 45 D C -0.388 175.906 176.300 -0.010 0.000 1.008 45 D CA -0.260 53.737 54.000 -0.004 0.000 0.914 45 D CB 1.189 41.987 40.800 -0.003 0.000 1.182 45 D HN 0.132 nan 8.370 nan 0.000 0.451 46 K N 1.425 121.817 120.400 -0.013 0.000 2.240 46 K HA 0.313 4.633 4.320 0.000 0.000 0.271 46 K C -0.171 176.413 176.600 -0.026 0.000 1.018 46 K CA -0.495 55.782 56.287 -0.017 0.000 0.874 46 K CB 1.952 34.443 32.500 -0.015 0.000 1.098 46 K HN 0.478 nan 8.250 nan 0.000 0.458 47 M N 4.343 123.924 119.600 -0.032 0.000 2.216 47 M HA 0.273 4.753 4.480 0.000 0.000 0.356 47 M C -1.186 175.089 176.300 -0.043 0.000 1.205 47 M CA -0.422 54.848 55.300 -0.049 0.000 1.122 47 M CB 0.526 33.091 32.600 -0.059 0.000 1.571 47 M HN 0.586 nan 8.290 nan 0.000 0.464 48 L N 6.444 127.637 121.223 -0.051 0.000 2.462 48 L HA 0.417 4.757 4.340 0.000 0.000 0.255 48 L C -1.057 175.792 176.870 -0.035 0.000 1.076 48 L CA -0.639 54.180 54.840 -0.034 0.000 0.920 48 L CB 1.380 43.424 42.059 -0.025 0.000 1.214 48 L HN 0.601 nan 8.230 nan 0.000 0.472 49 V N 1.679 121.574 119.914 -0.031 0.000 3.185 49 V HA 0.197 4.317 4.120 0.000 0.000 0.305 49 V C 0.297 176.384 176.094 -0.011 0.000 1.090 49 V CA -0.190 62.096 62.300 -0.023 0.000 1.107 49 V CB 1.135 32.947 31.823 -0.019 0.000 1.061 49 V HN 0.800 nan 8.190 nan 0.000 0.480 50 D N 0.897 121.294 120.400 -0.005 0.000 2.574 50 D HA 0.179 4.819 4.640 0.000 0.000 0.210 50 D C 0.429 176.729 176.300 0.002 0.000 1.277 50 D CA 0.255 54.255 54.000 0.000 0.000 1.121 50 D CB -0.199 40.604 40.800 0.004 0.000 1.192 50 D HN 0.522 nan 8.370 nan 0.000 0.602 51 D N -1.405 118.998 120.400 0.004 0.000 2.369 51 D HA 0.098 4.738 4.640 0.000 0.000 0.211 51 D C 0.900 177.204 176.300 0.005 0.000 1.077 51 D CA -0.024 53.978 54.000 0.004 0.000 0.842 51 D CB -0.191 40.611 40.800 0.005 0.000 0.947 51 D HN 0.262 nan 8.370 nan 0.000 0.509 52 L N -0.105 121.123 121.223 0.007 0.000 3.066 52 L HA 0.415 4.755 4.340 0.000 0.000 0.265 52 L C 1.454 178.331 176.870 0.011 0.000 1.232 52 L CA 0.022 54.868 54.840 0.009 0.000 1.031 52 L CB 0.474 42.540 42.059 0.012 0.000 1.379 52 L HN 0.239 nan 8.230 nan 0.000 0.563 53 G N -0.370 108.435 108.800 0.008 0.000 2.216 53 G HA2 -0.333 3.627 3.960 0.000 0.000 0.269 53 G HA3 -0.333 3.627 3.960 0.000 0.000 0.269 53 G C 0.131 175.038 174.900 0.013 0.000 0.981 53 G CA 0.478 45.583 45.100 0.008 0.000 0.658 53 G HN 0.403 nan 8.290 nan 0.000 0.539 54 D N 0.129 120.539 120.400 0.016 0.000 2.346 54 D HA 0.417 5.057 4.640 0.000 0.000 0.260 54 D C 0.533 176.839 176.300 0.010 0.000 1.252 54 D CA 0.161 54.178 54.000 0.029 0.000 0.895 54 D CB 1.510 42.329 40.800 0.031 0.000 1.097 54 D HN 0.322 nan 8.370 nan 0.000 0.489 55 V N 3.588 123.499 119.914 -0.005 0.000 2.716 55 V HA 0.649 4.769 4.120 0.000 0.000 0.304 55 V C -0.743 175.265 176.094 -0.143 0.000 1.053 55 V CA -0.428 61.812 62.300 -0.100 0.000 0.984 55 V CB 1.963 33.683 31.823 -0.172 0.000 1.021 55 V HN 0.232 nan 8.190 nan 0.000 0.467 56 V N 5.925 125.749 119.914 -0.150 0.000 2.653 56 V HA 0.469 4.589 4.120 0.000 0.000 0.298 56 V C -0.924 175.108 176.094 -0.104 0.000 1.097 56 V CA -0.289 61.941 62.300 -0.116 0.000 0.908 56 V CB 2.228 34.049 31.823 -0.003 0.000 1.024 56 V HN 0.813 nan 8.190 nan 0.000 0.435 57 V N 5.599 125.443 119.914 -0.117 0.000 2.427 57 V HA 0.862 4.982 4.120 0.000 0.000 0.286 57 V C 0.179 176.262 176.094 -0.018 0.000 1.034 57 V CA 0.016 62.274 62.300 -0.069 0.000 0.893 57 V CB 1.653 33.428 31.823 -0.079 0.000 0.982 57 V HN 0.986 nan 8.190 nan 0.000 0.452 58 T N 2.520 117.066 114.554 -0.012 0.000 2.786 58 T HA 0.272 4.622 4.350 0.000 0.000 0.316 58 T C 0.002 174.701 174.700 -0.001 0.000 1.503 58 T CA -0.442 61.658 62.100 0.000 0.000 1.019 58 T CB 1.842 70.713 68.868 0.004 0.000 1.415 58 T HN 0.673 nan 8.240 nan 0.000 0.496 59 N N 1.306 120.008 118.700 0.003 0.000 2.171 59 N HA 0.050 4.790 4.740 0.000 0.000 0.212 59 N C -0.286 175.224 175.510 0.001 0.000 1.184 59 N CA -0.114 52.937 53.050 0.002 0.000 0.888 59 N CB 0.508 38.999 38.487 0.007 0.000 1.038 59 N HN 0.731 nan 8.380 nan 0.000 0.517 60 D N 0.406 120.807 120.400 0.002 0.000 2.346 60 D HA 0.052 4.692 4.640 0.000 0.000 0.260 60 D C 1.199 177.498 176.300 -0.002 0.000 1.252 60 D CA 0.036 54.037 54.000 0.001 0.000 0.895 60 D CB 1.212 42.015 40.800 0.004 0.000 1.097 60 D HN 0.324 nan 8.370 nan 0.000 0.489 61 G N 3.530 112.327 108.800 -0.005 0.000 2.586 61 G HA2 -0.304 3.656 3.960 0.000 0.000 0.218 61 G HA3 -0.304 3.656 3.960 0.000 0.000 0.218 61 G C 1.513 176.409 174.900 -0.007 0.000 1.216 61 G CA 0.925 46.020 45.100 -0.008 0.000 0.786 61 G HN 0.504 nan 8.290 nan 0.000 0.583 62 V N 1.554 121.465 119.914 -0.006 0.000 2.287 62 V HA -0.218 3.902 4.120 0.000 0.000 0.248 62 V C 3.354 179.447 176.094 -0.002 0.000 1.053 62 V CA 3.707 66.004 62.300 -0.004 0.000 1.027 62 V CB -1.008 30.813 31.823 -0.003 0.000 0.646 62 V HN 0.698 nan 8.190 nan 0.000 0.447 63 T N -1.278 113.276 114.554 -0.000 0.000 2.684 63 T HA -0.255 4.095 4.350 0.000 0.000 0.267 63 T C 1.873 176.573 174.700 0.000 0.000 1.036 63 T CA 2.178 64.279 62.100 0.002 0.000 1.148 63 T CB -0.813 68.058 68.868 0.005 0.000 0.863 63 T HN 0.488 nan 8.240 nan 0.000 0.436 64 I N 1.162 121.730 120.570 -0.002 0.000 2.091 64 I HA -0.224 3.946 4.170 0.000 0.000 0.240 64 I C 2.740 178.854 176.117 -0.004 0.000 1.046 64 I CA 1.806 63.104 61.300 -0.005 0.000 1.306 64 I CB -0.503 37.493 38.000 -0.007 0.000 1.018 64 I HN 0.259 nan 8.210 nan 0.000 0.404 65 L N -0.195 121.025 121.223 -0.004 0.000 1.976 65 L HA -0.217 4.123 4.340 0.000 0.000 0.209 65 L C 2.816 179.686 176.870 0.000 0.000 1.071 65 L CA 1.383 56.221 54.840 -0.003 0.000 0.746 65 L CB -0.630 41.425 42.059 -0.006 0.000 0.890 65 L HN 0.149 nan 8.230 nan 0.000 0.432 66 R N 0.369 120.869 120.500 0.001 0.000 2.143 66 R HA -0.207 4.133 4.340 0.000 0.000 0.239 66 R C 1.263 177.565 176.300 0.004 0.000 1.126 66 R CA 1.831 57.933 56.100 0.003 0.000 0.927 66 R CB -0.435 29.867 30.300 0.003 0.000 0.860 66 R HN 0.435 nan 8.270 nan 0.000 0.433 67 E N 1.112 121.314 120.200 0.004 0.000 2.424 67 E HA 0.038 4.388 4.350 0.000 0.000 0.237 67 E C 0.021 176.623 176.600 0.003 0.000 1.381 67 E CA -0.072 56.331 56.400 0.004 0.000 1.587 67 E CB -0.098 29.605 29.700 0.005 0.000 1.398 67 E HN 0.324 nan 8.360 nan 0.000 0.439 68 M N -2.248 117.355 119.600 0.003 0.000 2.518 68 M HA 0.431 4.911 4.480 0.000 0.000 0.300 68 M C -0.718 175.587 176.300 0.008 0.000 1.175 68 M CA -0.760 54.542 55.300 0.004 0.000 0.890 68 M CB 2.145 34.746 32.600 0.001 0.000 1.710 68 M HN -0.337 nan 8.290 nan 0.000 0.453 69 S N 2.493 118.198 115.700 0.009 0.000 3.024 69 S HA 0.295 4.765 4.470 0.000 0.000 0.316 69 S C -0.234 174.378 174.600 0.019 0.000 1.197 69 S CA -0.514 57.694 58.200 0.013 0.000 1.097 69 S CB -0.770 62.437 63.200 0.012 0.000 1.471 69 S HN 0.461 nan 8.310 nan 0.000 0.543 70 V N 3.861 123.788 119.914 0.022 0.000 2.407 70 V HA 0.265 4.385 4.120 0.000 0.000 0.278 70 V C 0.832 176.954 176.094 0.046 0.000 1.037 70 V CA -0.236 62.084 62.300 0.033 0.000 0.900 70 V CB 1.508 33.347 31.823 0.027 0.000 0.983 70 V HN 0.611 nan 8.190 nan 0.000 0.459 71 E N 1.408 121.648 120.200 0.066 0.000 2.256 71 E HA 0.080 4.430 4.350 0.000 0.000 0.198 71 E C 0.809 177.469 176.600 0.100 0.000 0.908 71 E CA 0.101 56.540 56.400 0.064 0.000 0.915 71 E CB -0.084 29.643 29.700 0.045 0.000 0.890 71 E HN 0.711 nan 8.360 nan 0.000 0.484 72 H N 3.733 122.816 119.070 0.021 0.000 3.125 72 H HA -0.029 4.527 4.556 0.000 0.000 0.310 72 H C -1.552 173.792 175.328 0.026 0.000 0.980 72 H CA -0.965 55.101 56.048 0.030 0.000 1.422 72 H CB 1.052 30.832 29.762 0.030 0.000 1.432 72 H HN -0.070 nan 8.280 nan 0.000 0.577 73 P HA -0.165 nan 4.420 nan 0.000 0.216 73 P C 1.206 178.651 177.300 0.243 0.000 1.153 73 P CA 1.838 65.070 63.100 0.221 0.000 0.848 73 P CB 0.027 31.795 31.700 0.113 0.000 0.787 74 A N 1.241 124.274 122.820 0.355 0.000 1.849 74 A HA -0.194 4.126 4.320 0.000 0.000 0.217 74 A C 2.608 180.183 177.584 -0.015 0.000 1.202 74 A CA 2.987 55.068 52.037 0.074 0.000 0.629 74 A CB -1.766 17.184 19.000 -0.083 0.000 0.834 74 A HN 0.236 nan 8.150 nan 0.000 0.447 75 A N -0.609 122.149 122.820 -0.103 0.000 1.948 75 A HA -0.232 4.088 4.320 0.000 0.000 0.220 75 A C 2.048 179.632 177.584 0.001 0.000 1.177 75 A CA 2.092 54.090 52.037 -0.066 0.000 0.636 75 A CB -0.573 18.378 19.000 -0.082 0.000 0.815 75 A HN 0.583 nan 8.150 nan 0.000 0.449 76 K N -1.250 119.176 120.400 0.043 0.000 2.293 76 K HA -0.135 4.185 4.320 0.000 0.000 0.204 76 K C 1.640 178.255 176.600 0.025 0.000 1.045 76 K CA 1.754 58.064 56.287 0.039 0.000 0.933 76 K CB -0.238 32.295 32.500 0.055 0.000 0.736 76 K HN 0.603 nan 8.250 nan 0.000 0.463 77 M N -0.809 118.805 119.600 0.022 0.000 2.461 77 M HA 0.014 4.494 4.480 0.000 0.000 0.255 77 M C 1.150 177.453 176.300 0.006 0.000 1.137 77 M CA 0.188 55.498 55.300 0.017 0.000 1.086 77 M CB 0.344 32.959 32.600 0.025 0.000 1.356 77 M HN 0.003 nan 8.290 nan 0.000 0.487 78 L N 0.589 121.809 121.223 -0.005 0.000 2.291 78 L HA 0.013 4.353 4.340 0.000 0.000 0.214 78 L C 2.009 178.873 176.870 -0.009 0.000 1.120 78 L CA 1.418 56.251 54.840 -0.012 0.000 0.799 78 L CB -0.405 41.639 42.059 -0.026 0.000 0.925 78 L HN 0.263 nan 8.230 nan 0.000 0.446 79 I N -1.097 119.470 120.570 -0.004 0.000 2.830 79 I HA -0.157 4.013 4.170 0.000 0.000 0.263 79 I C 2.066 178.183 176.117 0.000 0.000 1.230 79 I CA 0.369 61.668 61.300 -0.002 0.000 1.480 79 I CB -0.198 37.803 38.000 0.002 0.000 1.095 79 I HN 0.274 nan 8.210 nan 0.000 0.455 80 E N 0.792 120.994 120.200 0.003 0.000 2.051 80 E HA -0.162 4.188 4.350 0.000 0.000 0.192 80 E C 2.448 179.049 176.600 0.002 0.000 0.991 80 E CA 1.162 57.565 56.400 0.005 0.000 0.799 80 E CB -0.337 29.368 29.700 0.009 0.000 0.748 80 E HN 0.310 nan 8.360 nan 0.000 0.449 81 V N 1.730 121.643 119.914 -0.001 0.000 2.287 81 V HA -0.266 3.854 4.120 0.000 0.000 0.248 81 V C 2.478 178.567 176.094 -0.007 0.000 1.053 81 V CA 1.970 64.267 62.300 -0.005 0.000 1.027 81 V CB -0.876 30.940 31.823 -0.011 0.000 0.646 81 V HN 0.266 nan 8.190 nan 0.000 0.447 82 A N -0.816 121.999 122.820 -0.009 0.000 1.930 82 A HA -0.222 4.098 4.320 0.000 0.000 0.217 82 A C 2.324 179.905 177.584 -0.005 0.000 1.175 82 A CA 1.917 53.948 52.037 -0.009 0.000 0.627 82 A CB -0.438 18.556 19.000 -0.010 0.000 0.815 82 A HN 0.501 nan 8.150 nan 0.000 0.443 83 K N -0.670 119.729 120.400 -0.003 0.000 2.211 83 K HA -0.107 4.213 4.320 0.000 0.000 0.203 83 K C 1.974 178.574 176.600 -0.001 0.000 1.050 83 K CA 1.650 57.936 56.287 -0.001 0.000 0.945 83 K CB -0.085 32.416 32.500 0.001 0.000 0.732 83 K HN 0.679 nan 8.250 nan 0.000 0.451 84 T N -2.490 112.063 114.554 -0.001 0.000 3.037 84 T HA -0.029 4.321 4.350 0.000 0.000 0.251 84 T C 1.691 176.389 174.700 -0.002 0.000 1.079 84 T CA 0.173 62.272 62.100 -0.000 0.000 1.067 84 T CB 0.284 69.152 68.868 0.001 0.000 0.948 84 T HN 0.050 nan 8.240 nan 0.000 0.496 85 Q N 2.557 122.354 119.800 -0.004 0.000 2.020 85 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 85 Q C 2.212 178.209 176.000 -0.005 0.000 0.982 85 Q CA 2.470 58.270 55.803 -0.005 0.000 0.838 85 Q CB -0.491 28.242 28.738 -0.008 0.000 0.899 85 Q HN 0.842 nan 8.270 nan 0.000 0.423 86 E N -0.465 119.732 120.200 -0.004 0.000 2.160 86 E HA -0.284 4.066 4.350 0.000 0.000 0.195 86 E C 1.800 178.398 176.600 -0.003 0.000 0.991 86 E CA 1.544 57.941 56.400 -0.003 0.000 0.810 86 E CB -0.208 29.491 29.700 -0.003 0.000 0.742 86 E HN 0.160 nan 8.360 nan 0.000 0.466 87 K N 0.447 120.845 120.400 -0.002 0.000 2.103 87 K HA -0.065 4.255 4.320 0.000 0.000 0.204 87 K C 1.591 178.190 176.600 -0.002 0.000 1.052 87 K CA 1.366 57.652 56.287 -0.002 0.000 0.945 87 K CB 0.319 32.819 32.500 -0.001 0.000 0.722 87 K HN 0.114 nan 8.250 nan 0.000 0.443 88 E N -0.811 119.387 120.200 -0.002 0.000 2.498 88 E HA 0.098 4.448 4.350 0.000 0.000 0.203 88 E C 0.626 177.225 176.600 -0.003 0.000 1.013 88 E CA 0.172 56.570 56.400 -0.002 0.000 0.927 88 E CB 1.041 30.740 29.700 -0.002 0.000 1.012 88 E HN 0.084 nan 8.360 nan 0.000 0.482 89 V N -1.877 118.035 119.914 -0.003 0.000 5.048 89 V HA 0.433 4.553 4.120 0.000 0.000 0.133 89 V C 1.287 177.378 176.094 -0.003 0.000 1.124 89 V CA 0.389 62.687 62.300 -0.004 0.000 1.228 89 V CB 0.726 32.547 31.823 -0.004 0.000 1.711 89 V HN 0.210 nan 8.190 nan 0.000 0.586 90 G N -0.015 108.783 108.800 -0.004 0.000 3.345 90 G HA2 -0.075 3.885 3.960 0.000 0.000 0.199 90 G HA3 -0.075 3.885 3.960 0.000 0.000 0.199 90 G C -0.370 174.528 174.900 -0.003 0.000 1.057 90 G CA 0.356 45.454 45.100 -0.003 0.000 0.865 90 G HN 0.533 nan 8.290 nan 0.000 0.449 91 D N -0.249 120.149 120.400 -0.003 0.000 2.384 91 D HA 0.542 5.183 4.640 0.000 0.000 0.250 91 D C 1.159 177.455 176.300 -0.007 0.000 1.029 91 D CA 0.902 54.900 54.000 -0.004 0.000 0.990 91 D CB 1.114 41.912 40.800 -0.002 0.000 1.175 91 D HN 1.344 nan 8.370 nan 0.000 0.532 92 G N 0.304 109.099 108.800 -0.009 0.000 2.198 92 G HA2 -0.283 3.677 3.960 0.000 0.000 0.257 92 G HA3 -0.283 3.677 3.960 0.000 0.000 0.257 92 G C 0.915 175.806 174.900 -0.015 0.000 1.042 92 G CA 1.222 46.315 45.100 -0.013 0.000 0.791 92 G HN 0.640 nan 8.290 nan 0.000 0.502 93 T N -3.778 110.768 114.554 -0.013 0.000 2.851 93 T HA -0.052 4.298 4.350 0.000 0.000 0.262 93 T C 2.249 176.939 174.700 -0.018 0.000 1.043 93 T CA 2.207 64.299 62.100 -0.013 0.000 1.140 93 T CB -0.401 68.461 68.868 -0.009 0.000 0.872 93 T HN 0.263 nan 8.240 nan 0.000 0.446 94 T N 2.877 117.421 114.554 -0.018 0.000 2.684 94 T HA -0.133 4.217 4.350 0.000 0.000 0.267 94 T C 2.416 177.098 174.700 -0.030 0.000 1.036 94 T CA 2.209 64.296 62.100 -0.022 0.000 1.148 94 T CB -1.023 67.833 68.868 -0.020 0.000 0.863 94 T HN 0.811 nan 8.240 nan 0.000 0.436 95 T N 0.792 115.327 114.554 -0.031 0.000 2.915 95 T HA 0.098 4.448 4.350 0.000 0.000 0.269 95 T C 2.213 176.885 174.700 -0.047 0.000 1.071 95 T CA 0.990 63.066 62.100 -0.040 0.000 1.132 95 T CB -0.462 68.383 68.868 -0.038 0.000 0.878 95 T HN 0.351 nan 8.240 nan 0.000 0.479 96 A N 1.087 123.884 122.820 -0.038 0.000 1.897 96 A HA 0.152 4.472 4.320 0.000 0.000 0.215 96 A C 2.605 180.161 177.584 -0.046 0.000 1.181 96 A CA 1.228 53.241 52.037 -0.041 0.000 0.620 96 A CB -0.992 17.991 19.000 -0.027 0.000 0.821 96 A HN 0.381 nan 8.150 nan 0.000 0.443 97 V N -0.349 119.541 119.914 -0.039 0.000 2.358 97 V HA -0.213 3.907 4.120 0.000 0.000 0.246 97 V C 2.601 178.664 176.094 -0.051 0.000 1.047 97 V CA 1.929 64.205 62.300 -0.040 0.000 1.035 97 V CB -0.593 31.211 31.823 -0.031 0.000 0.658 97 V HN 0.365 nan 8.190 nan 0.000 0.452 98 V N -0.374 119.508 119.914 -0.053 0.000 2.261 98 V HA -0.244 3.876 4.120 0.000 0.000 0.246 98 V C 2.431 178.478 176.094 -0.080 0.000 1.047 98 V CA 2.089 64.353 62.300 -0.059 0.000 1.015 98 V CB -0.474 31.317 31.823 -0.054 0.000 0.642 98 V HN 0.395 nan 8.190 nan 0.000 0.446 99 V N 0.307 120.164 119.914 -0.097 0.000 2.332 99 V HA -0.304 3.816 4.120 0.000 0.000 0.248 99 V C 2.703 178.701 176.094 -0.158 0.000 1.055 99 V CA 2.116 64.330 62.300 -0.143 0.000 1.038 99 V CB -1.164 30.563 31.823 -0.160 0.000 0.651 99 V HN 0.585 nan 8.190 nan 0.000 0.450 100 A N 0.217 122.967 122.820 -0.118 0.000 1.978 100 A HA -0.106 4.214 4.320 0.000 0.000 0.220 100 A C 2.365 179.901 177.584 -0.081 0.000 1.170 100 A CA 1.968 53.946 52.037 -0.099 0.000 0.636 100 A CB -1.018 17.945 19.000 -0.061 0.000 0.810 100 A HN 0.550 nan 8.150 nan 0.000 0.448 101 G N -0.646 108.110 108.800 -0.075 0.000 2.394 101 G HA2 -0.162 3.798 3.960 0.000 0.000 0.214 101 G HA3 -0.162 3.798 3.960 0.000 0.000 0.214 101 G C 1.410 176.272 174.900 -0.064 0.000 1.176 101 G CA 1.055 46.120 45.100 -0.060 0.000 0.786 101 G HN 0.550 nan 8.290 nan 0.000 0.533 102 E N 0.041 120.188 120.200 -0.087 0.000 2.409 102 E HA 0.077 4.427 4.350 0.000 0.000 0.198 102 E C 2.335 178.871 176.600 -0.107 0.000 1.024 102 E CA 0.293 56.639 56.400 -0.090 0.000 0.861 102 E CB -0.242 29.395 29.700 -0.105 0.000 0.788 102 E HN 0.468 nan 8.360 nan 0.000 0.521 103 L N -0.487 120.649 121.223 -0.144 0.000 2.131 103 L HA -0.046 4.294 4.340 0.000 0.000 0.206 103 L C 2.170 179.079 176.870 0.065 0.000 1.087 103 L CA 0.560 55.314 54.840 -0.144 0.000 0.767 103 L CB -0.241 41.620 42.059 -0.330 0.000 0.917 103 L HN 0.205 nan 8.230 nan 0.000 0.441 104 L N -0.504 120.737 121.223 0.031 0.000 2.046 104 L HA -0.208 4.132 4.340 0.000 0.000 0.208 104 L C 2.810 179.700 176.870 0.033 0.000 1.077 104 L CA 1.151 56.020 54.840 0.049 0.000 0.747 104 L CB -0.524 41.542 42.059 0.012 0.000 0.896 104 L HN 0.256 nan 8.230 nan 0.000 0.432 105 R N 0.546 121.051 120.500 0.007 0.000 2.082 105 R HA -0.176 4.164 4.340 0.000 0.000 0.234 105 R C 2.280 178.594 176.300 0.023 0.000 1.136 105 R CA 1.460 57.562 56.100 0.003 0.000 0.935 105 R CB -0.020 30.271 30.300 -0.014 0.000 0.842 105 R HN 0.140 nan 8.270 nan 0.000 0.430 106 K N 0.121 120.545 120.400 0.040 0.000 2.283 106 K HA -0.057 4.263 4.320 0.000 0.000 0.202 106 K C 1.881 178.539 176.600 0.096 0.000 1.048 106 K CA 1.056 57.384 56.287 0.068 0.000 0.948 106 K CB -0.111 32.439 32.500 0.084 0.000 0.742 106 K HN 0.316 nan 8.250 nan 0.000 0.458 107 A N 2.023 124.915 122.820 0.120 0.000 1.969 107 A HA -0.192 4.128 4.320 0.000 0.000 0.218 107 A C 1.993 179.580 177.584 0.004 0.000 1.169 107 A CA 1.649 53.722 52.037 0.060 0.000 0.635 107 A CB -0.314 18.733 19.000 0.079 0.000 0.810 107 A HN 0.543 nan 8.150 nan 0.000 0.445 108 E N -0.056 120.151 120.200 0.012 0.000 2.435 108 E HA -0.087 4.264 4.350 0.000 0.000 0.195 108 E C 1.295 177.893 176.600 -0.004 0.000 1.029 108 E CA 0.756 57.154 56.400 -0.004 0.000 0.865 108 E CB -0.281 29.416 29.700 -0.005 0.000 0.833 108 E HN 0.701 nan 8.360 nan 0.000 0.510 109 E N 0.911 121.115 120.200 0.006 0.000 2.268 109 E HA -0.090 4.260 4.350 0.000 0.000 0.195 109 E C 1.905 178.506 176.600 0.002 0.000 0.995 109 E CA 0.874 57.278 56.400 0.006 0.000 0.836 109 E CB 0.020 29.729 29.700 0.015 0.000 0.763 109 E HN 0.417 nan 8.360 nan 0.000 0.491 110 L N -0.038 121.183 121.223 -0.004 0.000 2.354 110 L HA 0.025 4.365 4.340 0.000 0.000 0.212 110 L C 2.153 179.010 176.870 -0.021 0.000 1.091 110 L CA 0.252 55.084 54.840 -0.012 0.000 0.828 110 L CB -0.098 41.945 42.059 -0.027 0.000 0.973 110 L HN 0.115 nan 8.230 nan 0.000 0.461 111 L N -0.373 120.834 121.223 -0.028 0.000 2.179 111 L HA -0.099 4.241 4.340 0.000 0.000 0.208 111 L C 1.543 178.396 176.870 -0.028 0.000 1.096 111 L CA 0.883 55.702 54.840 -0.035 0.000 0.779 111 L CB -0.289 41.746 42.059 -0.040 0.000 0.922 111 L HN 0.226 nan 8.230 nan 0.000 0.443 112 D N -0.133 120.255 120.400 -0.019 0.000 2.336 112 D HA -0.059 4.581 4.640 0.000 0.000 0.229 112 D C 1.229 177.522 176.300 -0.011 0.000 1.061 112 D CA 0.598 54.588 54.000 -0.016 0.000 0.875 112 D CB 0.342 41.135 40.800 -0.012 0.000 0.904 112 D HN 0.472 nan 8.370 nan 0.000 0.525 113 Q N 0.082 119.876 119.800 -0.010 0.000 2.159 113 Q HA 0.110 4.450 4.340 0.000 0.000 0.217 113 Q C -0.222 175.774 176.000 -0.006 0.000 0.818 113 Q CA -0.215 55.585 55.803 -0.006 0.000 1.008 113 Q CB 0.724 29.461 28.738 -0.002 0.000 1.148 113 Q HN 0.122 nan 8.270 nan 0.000 0.491 114 N N -0.205 118.487 118.700 -0.012 0.000 2.741 114 N HA -0.138 4.602 4.740 0.000 0.000 0.250 114 N C -0.469 175.041 175.510 -0.001 0.000 1.115 114 N CA 0.464 53.507 53.050 -0.012 0.000 0.724 114 N CB -1.656 36.827 38.487 -0.006 0.000 1.090 114 N HN 0.044 nan 8.380 nan 0.000 0.558 115 V N 1.552 121.465 119.914 -0.002 0.000 2.637 115 V HA 0.012 4.132 4.120 0.000 0.000 0.296 115 V C 1.244 177.353 176.094 0.025 0.000 1.046 115 V CA -0.202 62.108 62.300 0.016 0.000 1.066 115 V CB 1.137 32.959 31.823 -0.001 0.000 0.968 115 V HN 0.259 nan 8.190 nan 0.000 0.483 116 H N 7.385 126.438 119.070 -0.027 0.000 2.815 116 H HA 0.097 4.653 4.556 0.000 0.000 0.350 116 H C -1.698 173.608 175.328 -0.037 0.000 1.080 116 H CA -1.499 54.534 56.048 -0.025 0.000 1.433 116 H CB 1.806 31.557 29.762 -0.019 0.000 1.432 116 H HN 0.377 nan 8.280 nan 0.000 0.592 117 P HA -0.161 nan 4.420 nan 0.000 0.216 117 P C 1.362 178.746 177.300 0.140 0.000 1.153 117 P CA 2.489 65.608 63.100 0.032 0.000 0.858 117 P CB 0.011 31.693 31.700 -0.030 0.000 0.789 118 T N -3.600 111.173 114.554 0.366 0.000 3.007 118 T HA -0.062 4.288 4.350 0.000 0.000 0.270 118 T C 1.681 176.407 174.700 0.044 0.000 1.107 118 T CA 0.715 62.898 62.100 0.140 0.000 1.118 118 T CB -0.746 68.142 68.868 0.033 0.000 0.889 118 T HN -0.081 nan 8.240 nan 0.000 0.506 119 I N 1.039 121.644 120.570 0.058 0.000 2.400 119 I HA 0.019 4.189 4.170 0.000 0.000 0.248 119 I C 2.635 178.736 176.117 -0.027 0.000 1.109 119 I CA 0.315 61.619 61.300 0.007 0.000 1.425 119 I CB -1.080 36.932 38.000 0.019 0.000 1.094 119 I HN 0.161 nan 8.210 nan 0.000 0.425 120 V N 0.608 120.483 119.914 -0.065 0.000 2.255 120 V HA -0.237 3.883 4.120 0.000 0.000 0.247 120 V C 2.623 178.571 176.094 -0.243 0.000 1.051 120 V CA 1.807 63.975 62.300 -0.219 0.000 1.018 120 V CB -0.730 30.919 31.823 -0.290 0.000 0.641 120 V HN 0.313 nan 8.190 nan 0.000 0.445 121 V N -0.069 119.777 119.914 -0.113 0.000 2.759 121 V HA -0.235 3.885 4.120 0.000 0.000 0.256 121 V C 2.422 178.548 176.094 0.054 0.000 1.080 121 V CA 2.466 64.764 62.300 -0.004 0.000 1.101 121 V CB -0.471 31.374 31.823 0.037 0.000 0.698 121 V HN 0.622 nan 8.190 nan 0.000 0.477 122 K N -0.021 120.394 120.400 0.024 0.000 2.001 122 K HA -0.072 4.248 4.320 0.000 0.000 0.208 122 K C 2.042 178.680 176.600 0.063 0.000 1.048 122 K CA 1.694 58.003 56.287 0.036 0.000 0.932 122 K CB -0.704 31.804 32.500 0.014 0.000 0.715 122 K HN 0.540 nan 8.250 nan 0.000 0.437 123 G N -0.609 108.228 108.800 0.062 0.000 2.484 123 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 123 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 123 G C 1.296 176.329 174.900 0.221 0.000 1.130 123 G CA 0.287 45.452 45.100 0.108 0.000 0.784 123 G HN 0.359 nan 8.290 nan 0.000 0.543 124 Y N -0.062 120.287 120.300 0.081 0.000 2.220 124 Y HA -0.118 4.432 4.550 0.000 0.000 0.291 124 Y C 3.143 179.038 175.900 -0.009 0.000 1.129 124 Y CA 1.047 59.236 58.100 0.148 0.000 1.161 124 Y CB 0.101 38.701 38.460 0.235 0.000 0.997 124 Y HN 0.232 nan 8.280 nan 0.000 0.522 125 Q N 0.493 120.404 119.800 0.184 0.000 2.061 125 Q HA -0.245 4.095 4.340 0.000 0.000 0.204 125 Q C 2.427 178.399 176.000 -0.047 0.000 0.984 125 Q CA 1.571 57.408 55.803 0.057 0.000 0.846 125 Q CB -0.245 28.530 28.738 0.061 0.000 0.902 125 Q HN 0.475 nan 8.270 nan 0.000 0.421 126 A N 0.613 123.424 122.820 -0.015 0.000 1.917 126 A HA -0.219 4.101 4.320 0.000 0.000 0.219 126 A C 2.188 179.663 177.584 -0.182 0.000 1.182 126 A CA 2.080 54.100 52.037 -0.027 0.000 0.633 126 A CB -0.894 18.155 19.000 0.081 0.000 0.819 126 A HN 0.571 nan 8.150 nan 0.000 0.448 127 A N -0.852 121.777 122.820 -0.318 0.000 1.975 127 A HA 0.391 4.711 4.320 0.000 0.000 0.215 127 A C 2.422 179.477 177.584 -0.881 0.000 1.170 127 A CA 1.451 53.105 52.037 -0.638 0.000 0.656 127 A CB -0.782 17.756 19.000 -0.770 0.000 0.821 127 A HN 1.009 nan 8.150 nan 0.000 0.449 128 A N -0.564 121.761 122.820 -0.826 0.000 1.933 128 A HA -0.168 4.152 4.320 0.000 0.000 0.218 128 A C 2.131 179.555 177.584 -0.265 0.000 1.175 128 A CA 2.067 53.824 52.037 -0.466 0.000 0.628 128 A CB -0.445 18.469 19.000 -0.142 0.000 0.814 128 A HN 0.510 nan 8.150 nan 0.000 0.444 129 Q N 0.240 119.896 119.800 -0.240 0.000 2.020 129 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 129 Q C 2.050 177.917 176.000 -0.222 0.000 0.982 129 Q CA 2.458 58.157 55.803 -0.173 0.000 0.838 129 Q CB -0.330 28.330 28.738 -0.130 0.000 0.899 129 Q HN 0.457 nan 8.270 nan 0.000 0.423 130 K N 0.051 120.238 120.400 -0.354 0.000 2.032 130 K HA -0.034 4.286 4.320 0.000 0.000 0.209 130 K C 1.807 178.230 176.600 -0.295 0.000 1.048 130 K CA 1.798 57.826 56.287 -0.433 0.000 0.927 130 K CB -0.946 31.034 32.500 -0.867 0.000 0.712 130 K HN 0.272 nan 8.250 nan 0.000 0.441 131 A N 0.391 123.041 122.820 -0.285 0.000 2.125 131 A HA -0.140 4.180 4.320 0.000 0.000 0.219 131 A C 1.898 179.422 177.584 -0.100 0.000 1.156 131 A CA 1.235 53.175 52.037 -0.161 0.000 0.671 131 A CB -0.404 18.532 19.000 -0.108 0.000 0.794 131 A HN 0.361 nan 8.150 nan 0.000 0.459 132 Q N 0.044 119.777 119.800 -0.111 0.000 2.137 132 Q HA -0.138 4.202 4.340 0.000 0.000 0.198 132 Q C 1.937 177.901 176.000 -0.060 0.000 0.960 132 Q CA 1.682 57.444 55.803 -0.068 0.000 0.847 132 Q CB -0.266 28.434 28.738 -0.063 0.000 0.915 132 Q HN 1.002 nan 8.270 nan 0.000 0.448 133 E N -0.308 119.846 120.200 -0.077 0.000 2.318 133 E HA -0.012 4.338 4.350 0.000 0.000 0.193 133 E C 1.950 178.519 176.600 -0.052 0.000 0.998 133 E CA 0.043 56.409 56.400 -0.057 0.000 0.859 133 E CB -0.228 29.437 29.700 -0.058 0.000 0.812 133 E HN 0.200 nan 8.360 nan 0.000 0.492 134 L N 0.683 121.864 121.223 -0.070 0.000 2.275 134 L HA -0.052 4.288 4.340 0.000 0.000 0.215 134 L C 2.314 179.165 176.870 -0.031 0.000 1.119 134 L CA 0.636 55.444 54.840 -0.053 0.000 0.790 134 L CB -0.018 41.996 42.059 -0.076 0.000 0.919 134 L HN 0.186 nan 8.230 nan 0.000 0.443 135 L N -1.149 120.055 121.223 -0.032 0.000 2.127 135 L HA -0.137 4.203 4.340 0.000 0.000 0.203 135 L C 2.462 179.325 176.870 -0.013 0.000 1.080 135 L CA 0.800 55.629 54.840 -0.018 0.000 0.768 135 L CB -0.285 41.764 42.059 -0.017 0.000 0.924 135 L HN 0.081 nan 8.230 nan 0.000 0.444 136 K N -0.230 120.159 120.400 -0.017 0.000 2.077 136 K HA -0.271 4.049 4.320 0.000 0.000 0.213 136 K C 2.042 178.637 176.600 -0.008 0.000 1.051 136 K CA 2.325 58.605 56.287 -0.013 0.000 0.929 136 K CB -0.375 32.115 32.500 -0.016 0.000 0.715 136 K HN 0.471 nan 8.250 nan 0.000 0.451 137 T N -0.777 113.772 114.554 -0.008 0.000 3.043 137 T HA -0.018 4.332 4.350 0.000 0.000 0.263 137 T C 1.530 176.231 174.700 0.003 0.000 1.094 137 T CA 0.665 62.764 62.100 -0.002 0.000 1.127 137 T CB -0.281 68.585 68.868 -0.002 0.000 0.905 137 T HN 0.397 nan 8.240 nan 0.000 0.490 138 I N -0.716 119.856 120.570 0.004 0.000 3.884 138 I HA 0.682 4.852 4.170 0.000 0.000 0.330 138 I C 0.278 176.402 176.117 0.011 0.000 1.451 138 I CA -1.088 60.219 61.300 0.011 0.000 1.165 138 I CB -0.285 37.726 38.000 0.018 0.000 1.097 138 I HN 0.157 nan 8.210 nan 0.000 0.404 139 A N 1.517 124.340 122.820 0.006 0.000 2.258 139 A HA 0.549 4.869 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 -0.442 51.598 52.037 0.005 0.000 0.876 139 A CB 0.104 19.105 19.000 0.002 0.000 1.170 139 A HN 0.556 nan 8.150 nan 0.000 0.520 140 C N 2.287 121.591 119.300 0.007 0.000 2.679 140 C HA 0.240 4.700 4.460 0.000 0.000 0.417 140 C C 0.875 175.867 174.990 0.004 0.000 1.302 140 C CA -0.636 58.386 59.018 0.006 0.000 1.973 140 C CB -0.586 27.158 27.740 0.007 0.000 2.715 140 C HN 0.766 nan 8.230 nan 0.000 0.628 141 E N 0.623 120.825 120.200 0.004 0.000 2.349 141 E HA 0.636 4.986 4.350 0.000 0.000 0.262 141 E C -0.511 176.091 176.600 0.003 0.000 1.088 141 E CA -0.054 56.348 56.400 0.003 0.000 0.899 141 E CB 1.459 31.161 29.700 0.003 0.000 1.044 141 E HN 0.507 nan 8.360 nan 0.000 0.420 142 V N -0.060 119.856 119.914 0.003 0.000 3.087 142 V HA 0.417 4.537 4.120 0.000 0.000 0.306 142 V C 0.079 176.175 176.094 0.003 0.000 1.187 142 V CA -1.106 61.196 62.300 0.003 0.000 0.999 142 V CB 2.306 34.131 31.823 0.003 0.000 1.049 142 V HN 0.757 nan 8.190 nan 0.000 0.431 143 G N 1.054 109.855 108.800 0.003 0.000 2.380 143 G HA2 0.480 4.440 3.960 0.000 0.000 0.262 143 G HA3 0.480 4.440 3.960 0.000 0.000 0.262 143 G C 0.993 175.894 174.900 0.003 0.000 1.243 143 G CA 0.283 45.385 45.100 0.003 0.000 0.865 143 G HN 1.284 nan 8.290 nan 0.000 0.513 144 A N 1.822 124.643 122.820 0.002 0.000 2.194 144 A HA -0.110 4.210 4.320 0.000 0.000 0.220 144 A C 1.817 179.402 177.584 0.001 0.000 1.162 144 A CA 1.789 53.827 52.037 0.002 0.000 0.674 144 A CB -0.036 18.965 19.000 0.002 0.000 0.789 144 A HN 0.648 nan 8.150 nan 0.000 0.470 145 Q N -1.039 118.762 119.800 0.002 0.000 2.118 145 Q HA 0.050 4.390 4.340 0.000 0.000 0.219 145 Q C -0.524 175.477 176.000 0.002 0.000 0.794 145 Q CA -0.262 55.543 55.803 0.002 0.000 1.035 145 Q CB 0.519 29.259 28.738 0.003 0.000 1.177 145 Q HN 0.429 nan 8.270 nan 0.000 0.478 146 D N 1.601 122.002 120.400 0.003 0.000 2.619 146 D HA -0.083 4.558 4.640 0.000 0.000 0.238 146 D C 0.612 176.914 176.300 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 1.304 121.705 120.400 0.002 0.000 2.585 147 K HA -0.124 4.196 4.320 0.000 0.000 0.194 147 K C 1.589 178.191 176.600 0.003 0.000 1.037 147 K CA 0.547 56.835 56.287 0.002 0.000 0.964 147 K CB 0.299 32.800 32.500 0.001 0.000 0.787 147 K HN 0.386 nan 8.250 nan 0.000 0.488 148 E N 0.429 120.631 120.200 0.004 0.000 2.075 148 E HA -0.098 4.252 4.350 0.000 0.000 0.190 148 E C 1.826 178.429 176.600 0.005 0.000 0.969 148 E CA 0.530 56.933 56.400 0.004 0.000 0.815 148 E CB 0.058 29.761 29.700 0.005 0.000 0.776 148 E HN 0.278 nan 8.360 nan 0.000 0.457 149 I N 1.431 122.005 120.570 0.005 0.000 2.252 149 I HA -0.254 3.917 4.170 0.000 0.000 0.245 149 I C 2.495 178.615 176.117 0.006 0.000 1.102 149 I CA 0.652 61.956 61.300 0.006 0.000 1.385 149 I CB -0.106 37.897 38.000 0.006 0.000 1.064 149 I HN 0.193 nan 8.210 nan 0.000 0.414 150 L N 0.049 121.275 121.223 0.004 0.000 2.137 150 L HA -0.270 4.070 4.340 0.000 0.000 0.213 150 L C 2.306 179.179 176.870 0.004 0.000 1.085 150 L CA 1.602 56.444 54.840 0.003 0.000 0.760 150 L CB -0.934 41.126 42.059 0.001 0.000 0.893 150 L HN 0.315 nan 8.230 nan 0.000 0.434 151 T N -1.423 113.134 114.554 0.005 0.000 3.054 151 T HA -0.048 4.302 4.350 0.000 0.000 0.259 151 T C 1.853 176.559 174.700 0.010 0.000 1.092 151 T CA 0.511 62.615 62.100 0.006 0.000 1.121 151 T CB 0.181 69.052 68.868 0.005 0.000 0.912 151 T HN 0.272 nan 8.240 nan 0.000 0.489 152 K N 0.815 121.222 120.400 0.011 0.000 2.155 152 K HA 0.158 4.478 4.320 0.000 0.000 0.203 152 K C 1.979 178.588 176.600 0.015 0.000 1.052 152 K CA 0.827 57.123 56.287 0.014 0.000 0.948 152 K CB -0.102 32.406 32.500 0.014 0.000 0.728 152 K HN 0.288 nan 8.250 nan 0.000 0.448 153 I N 0.790 121.367 120.570 0.011 0.000 2.252 153 I HA -0.229 3.941 4.170 0.000 0.000 0.245 153 I C 2.240 178.364 176.117 0.010 0.000 1.102 153 I CA 0.958 62.264 61.300 0.010 0.000 1.385 153 I CB -0.132 37.872 38.000 0.007 0.000 1.064 153 I HN 0.124 nan 8.210 nan 0.000 0.414 154 A N -0.420 122.405 122.820 0.009 0.000 2.119 154 A HA -0.147 4.173 4.320 0.000 0.000 0.217 154 A C 2.118 179.710 177.584 0.013 0.000 1.153 154 A CA 1.094 53.136 52.037 0.009 0.000 0.692 154 A CB -0.363 18.640 19.000 0.006 0.000 0.799 154 A HN 0.400 nan 8.150 nan 0.000 0.458 155 M N -1.416 118.194 119.600 0.016 0.000 2.394 155 M HA 0.035 4.515 4.480 0.000 0.000 0.266 155 M C 1.839 178.158 176.300 0.031 0.000 1.098 155 M CA 1.640 56.954 55.300 0.022 0.000 1.149 155 M CB -0.061 32.553 32.600 0.022 0.000 1.369 155 M HN 0.229 nan 8.290 nan 0.000 0.450 156 T N -0.807 113.764 114.554 0.029 0.000 2.951 156 T HA -0.072 4.278 4.350 0.000 0.000 0.268 156 T C 1.898 176.614 174.700 0.026 0.000 1.073 156 T CA 1.520 63.640 62.100 0.032 0.000 1.134 156 T CB -0.216 68.666 68.868 0.024 0.000 0.884 156 T HN 0.461 nan 8.240 nan 0.000 0.479 157 S N 0.660 116.372 115.700 0.020 0.000 2.357 157 S HA 0.035 4.505 4.470 0.000 0.000 0.221 157 S C 2.025 176.637 174.600 0.019 0.000 1.031 157 S CA 0.597 58.806 58.200 0.015 0.000 0.982 157 S CB -0.349 62.857 63.200 0.010 0.000 0.853 157 S HN 0.454 nan 8.310 nan 0.000 0.458 158 I N 1.364 121.947 120.570 0.022 0.000 2.179 158 I HA -0.106 4.064 4.170 0.000 0.000 0.242 158 I C 1.138 177.276 176.117 0.035 0.000 1.088 158 I CA 0.666 61.980 61.300 0.024 0.000 1.357 158 I CB -0.977 37.035 38.000 0.021 0.000 1.051 158 I HN 0.268 nan 8.210 nan 0.000 0.409 159 T N 0.454 115.037 114.554 0.049 0.000 2.791 159 T HA 0.228 4.578 4.350 0.000 0.000 0.323 159 T C 1.177 175.912 174.700 0.059 0.000 1.082 159 T CA 0.788 62.934 62.100 0.077 0.000 1.084 159 T CB 0.900 69.838 68.868 0.117 0.000 0.992 159 T HN 0.659 nan 8.240 nan 0.000 0.547 160 G N 1.053 109.892 108.800 0.065 0.000 2.320 160 G HA2 -0.269 3.691 3.960 0.000 0.000 0.242 160 G HA3 -0.269 3.691 3.960 0.000 0.000 0.242 160 G C 0.691 175.608 174.900 0.027 0.000 1.033 160 G CA 0.249 45.368 45.100 0.032 0.000 0.620 160 G HN 0.629 nan 8.290 nan 0.000 0.517 161 K N 1.536 121.955 120.400 0.031 0.000 2.596 161 K HA 0.450 4.770 4.320 0.000 0.000 0.211 161 K C 0.901 177.522 176.600 0.036 0.000 1.046 161 K CA 0.563 56.866 56.287 0.027 0.000 1.202 161 K CB -0.097 32.416 32.500 0.022 0.000 0.925 161 K HN 1.571 nan 8.250 nan 0.000 0.486 162 G N 0.293 109.124 108.800 0.052 0.000 3.209 162 G HA2 -0.165 3.795 3.960 0.000 0.000 0.686 162 G HA3 -0.165 3.795 3.960 0.000 0.000 0.686 162 G C 0.474 175.420 174.900 0.076 0.000 1.065 162 G CA -0.468 44.671 45.100 0.064 0.000 0.812 162 G HN 0.162 nan 8.290 nan 0.000 0.573 163 A N 1.323 124.209 122.820 0.110 0.000 2.125 163 A HA 0.069 4.389 4.320 0.000 0.000 0.219 163 A C 2.122 179.708 177.584 0.004 0.000 1.156 163 A CA 2.132 54.215 52.037 0.077 0.000 0.671 163 A CB -0.131 18.882 19.000 0.022 0.000 0.794 163 A HN 1.353 nan 8.150 nan 0.000 0.459 164 E N 0.452 120.656 120.200 0.006 0.000 2.481 164 E HA -0.062 4.288 4.350 0.000 0.000 0.195 164 E C 1.165 177.765 176.600 0.000 0.000 1.047 164 E CA 0.827 57.222 56.400 -0.009 0.000 0.867 164 E CB -0.231 29.465 29.700 -0.007 0.000 0.858 164 E HN 0.585 nan 8.360 nan 0.000 0.513 165 K N 0.542 120.949 120.400 0.011 0.000 2.400 165 K HA 0.224 4.544 4.320 0.000 0.000 0.194 165 K C 1.247 177.853 176.600 0.010 0.000 1.033 165 K CA 0.534 56.829 56.287 0.012 0.000 1.021 165 K CB 0.338 32.849 32.500 0.017 0.000 0.808 165 K HN 0.106 nan 8.250 nan 0.000 0.505 166 A N 2.010 124.836 122.820 0.011 0.000 2.478 166 A HA -0.010 4.310 4.320 0.000 0.000 0.239 166 A C 0.065 177.650 177.584 0.001 0.000 1.480 166 A CA 0.037 52.081 52.037 0.011 0.000 1.308 166 A CB -0.573 18.438 19.000 0.019 0.000 0.899 166 A HN -0.030 nan 8.150 nan 0.000 0.600 167 K N 0.975 121.374 120.400 -0.000 0.000 2.466 167 K HA -0.005 4.315 4.320 0.000 0.000 0.278 167 K C 1.082 177.681 176.600 -0.001 0.000 1.048 167 K CA 0.255 56.540 56.287 -0.003 0.000 1.088 167 K CB 0.264 32.763 32.500 -0.001 0.000 0.884 167 K HN 0.425 nan 8.250 nan 0.000 0.478 168 E N 3.555 123.753 120.200 -0.003 0.000 2.058 168 E HA -0.192 4.158 4.350 0.000 0.000 0.194 168 E C 0.493 177.094 176.600 0.001 0.000 0.997 168 E CA 1.439 57.838 56.400 -0.001 0.000 0.801 168 E CB 0.162 29.860 29.700 -0.003 0.000 0.746 168 E HN 0.516 nan 8.360 nan 0.000 0.450 169 K N 0.451 120.851 120.400 -0.000 0.000 2.551 169 K HA -0.055 4.265 4.320 0.000 0.000 0.192 169 K C 1.666 178.267 176.600 0.002 0.000 1.027 169 K CA -0.094 56.193 56.287 0.001 0.000 1.059 169 K CB 0.157 32.658 32.500 0.001 0.000 0.831 169 K HN -0.006 nan 8.250 nan 0.000 0.508 170 L N -0.337 120.887 121.223 0.003 0.000 2.286 170 L HA 0.191 4.531 4.340 0.000 0.000 0.203 170 L C 2.022 178.894 176.870 0.004 0.000 1.068 170 L CA 1.129 55.971 54.840 0.004 0.000 0.811 170 L CB -0.447 41.614 42.059 0.005 0.000 0.989 170 L HN -0.001 nan 8.230 nan 0.000 0.467 171 A N -0.008 122.814 122.820 0.005 0.000 1.865 171 A HA -0.254 4.066 4.320 0.000 0.000 0.217 171 A C 2.084 179.670 177.584 0.003 0.000 1.191 171 A CA 2.092 54.132 52.037 0.005 0.000 0.623 171 A CB -0.775 18.229 19.000 0.007 0.000 0.826 171 A HN 0.614 nan 8.150 nan 0.000 0.444 172 E N -0.294 119.908 120.200 0.003 0.000 2.097 172 E HA -0.203 4.147 4.350 0.000 0.000 0.196 172 E C 1.941 178.541 176.600 0.000 0.000 1.000 172 E CA 1.357 57.758 56.400 0.001 0.000 0.804 172 E CB -0.394 29.307 29.700 0.002 0.000 0.740 172 E HN 0.705 nan 8.360 nan 0.000 0.454 173 I N 0.972 121.543 120.570 0.001 0.000 2.163 173 I HA -0.294 3.876 4.170 0.000 0.000 0.243 173 I C 2.455 178.571 176.117 -0.003 0.000 1.085 173 I CA 1.199 62.499 61.300 -0.000 0.000 1.347 173 I CB -0.335 37.666 38.000 0.002 0.000 1.044 173 I HN 0.127 nan 8.210 nan 0.000 0.408 174 I N 0.037 120.606 120.570 -0.002 0.000 2.142 174 I HA -0.262 3.908 4.170 0.000 0.000 0.240 174 I C 2.581 178.695 176.117 -0.006 0.000 1.078 174 I CA 1.215 62.513 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 0.002 nan 8.210 nan 0.000 0.405 175 V N 1.105 121.017 119.914 -0.004 0.000 2.231 175 V HA -0.379 3.741 4.120 0.000 0.000 0.250 175 V C 2.558 178.647 176.094 -0.008 0.000 1.058 175 V CA 2.535 64.832 62.300 -0.005 0.000 1.022 175 V CB -0.823 30.999 31.823 -0.002 0.000 0.640 175 V HN 0.542 nan 8.190 nan 0.000 0.445 176 E N 0.519 120.714 120.200 -0.008 0.000 2.086 176 E HA -0.282 4.068 4.350 0.000 0.000 0.200 176 E C 2.024 178.613 176.600 -0.018 0.000 1.012 176 E CA 2.050 58.443 56.400 -0.012 0.000 0.812 176 E CB -0.409 29.285 29.700 -0.009 0.000 0.743 176 E HN 0.572 nan 8.360 nan 0.000 0.453 177 A N -0.022 122.788 122.820 -0.017 0.000 2.014 177 A HA -0.011 4.309 4.320 0.000 0.000 0.218 177 A C 2.313 179.883 177.584 -0.024 0.000 1.163 177 A CA 1.082 53.106 52.037 -0.021 0.000 0.652 177 A CB -0.099 18.891 19.000 -0.017 0.000 0.808 177 A HN 0.239 nan 8.150 nan 0.000 0.449 178 V N -0.537 119.366 119.914 -0.019 0.000 2.649 178 V HA -0.116 4.004 4.120 0.000 0.000 0.248 178 V C 2.619 178.701 176.094 -0.021 0.000 1.054 178 V CA 1.930 64.219 62.300 -0.018 0.000 1.073 178 V CB -0.308 31.508 31.823 -0.012 0.000 0.699 178 V HN 0.524 nan 8.190 nan 0.000 0.463 179 S N 0.611 116.299 115.700 -0.021 0.000 2.382 179 S HA -0.147 4.323 4.470 0.000 0.000 0.228 179 S C 2.237 176.815 174.600 -0.036 0.000 1.027 179 S CA 1.374 59.560 58.200 -0.023 0.000 0.991 179 S CB -0.370 62.819 63.200 -0.019 0.000 0.823 179 S HN 0.640 nan 8.310 nan 0.000 0.469 180 A N 1.376 124.168 122.820 -0.047 0.000 1.877 180 A HA -0.062 4.258 4.320 0.000 0.000 0.216 180 A C 2.187 179.725 177.584 -0.077 0.000 1.186 180 A CA 1.719 53.710 52.037 -0.077 0.000 0.620 180 A CB -0.878 18.075 19.000 -0.077 0.000 0.822 180 A HN 0.624 nan 8.150 nan 0.000 0.443 181 V N -1.761 118.122 119.914 -0.052 0.000 3.636 181 V HA 0.220 4.340 4.120 0.000 0.000 0.279 181 V C 0.502 176.579 176.094 -0.028 0.000 1.263 181 V CA -0.256 62.019 62.300 -0.041 0.000 1.182 181 V CB -1.202 30.602 31.823 -0.033 0.000 0.955 181 V HN 0.104 nan 8.190 nan 0.000 0.443 182 V N 4.060 123.958 119.914 -0.026 0.000 2.450 182 V HA 0.112 4.232 4.120 0.000 0.000 0.281 182 V C 0.525 176.616 176.094 -0.005 0.000 1.019 182 V CA 0.246 62.538 62.300 -0.013 0.000 1.062 182 V CB 0.469 32.286 31.823 -0.010 0.000 0.979 182 V HN 0.812 nan 8.190 nan 0.000 0.477 183 D N 4.613 125.012 120.400 -0.001 0.000 2.468 183 D HA 0.045 4.685 4.640 0.000 0.000 0.218 183 D C -0.289 176.017 176.300 0.010 0.000 1.155 183 D CA -0.628 53.376 54.000 0.006 0.000 0.924 183 D CB 0.473 41.275 40.800 0.004 0.000 1.029 183 D HN 0.422 nan 8.370 nan 0.000 0.515 184 D N 2.903 123.313 120.400 0.016 0.000 2.451 184 D HA 0.040 4.680 4.640 0.000 0.000 0.254 184 D C 0.422 176.730 176.300 0.014 0.000 1.204 184 D CA 0.533 54.543 54.000 0.016 0.000 0.896 184 D CB 0.674 41.489 40.800 0.024 0.000 1.136 184 D HN 0.541 nan 8.370 nan 0.000 0.499 185 E N 0.464 120.670 120.200 0.010 0.000 2.244 185 E HA 0.675 5.025 4.350 0.000 0.000 0.266 185 E C 0.350 176.953 176.600 0.005 0.000 0.914 185 E CA -1.345 55.059 56.400 0.007 0.000 0.794 185 E CB 2.036 31.740 29.700 0.007 0.000 1.210 185 E HN 0.406 nan 8.360 nan 0.000 0.414 186 G N 1.768 110.570 108.800 0.003 0.000 5.253 186 G HA2 0.076 4.036 3.960 0.000 0.000 0.238 186 G HA3 0.076 4.036 3.960 0.000 0.000 0.238 186 G C -0.276 174.625 174.900 0.001 0.000 0.867 186 G CA -0.417 44.685 45.100 0.003 0.000 0.717 186 G HN 0.066 nan 8.290 nan 0.000 0.405 187 K N 0.267 120.667 120.400 0.000 0.000 2.139 187 K HA 0.694 5.014 4.320 0.000 0.000 0.243 187 K C -0.502 176.096 176.600 -0.004 0.000 0.983 187 K CA -0.905 55.381 56.287 -0.002 0.000 0.890 187 K CB 2.396 34.895 32.500 -0.002 0.000 1.090 187 K HN -0.074 nan 8.250 nan 0.000 0.445 188 V N 1.415 121.326 119.914 -0.005 0.000 2.370 188 V HA 0.069 4.189 4.120 0.000 0.000 0.283 188 V C -0.331 175.758 176.094 -0.008 0.000 1.023 188 V CA -0.819 61.476 62.300 -0.008 0.000 0.857 188 V CB 1.247 33.065 31.823 -0.008 0.000 0.985 188 V HN 0.597 nan 8.190 nan 0.000 0.443 189 D N 3.832 124.226 120.400 -0.010 0.000 2.374 189 D HA 0.205 4.845 4.640 0.000 0.000 0.240 189 D C 1.027 177.320 176.300 -0.013 0.000 1.229 189 D CA -0.250 53.743 54.000 -0.010 0.000 0.895 189 D CB 1.217 42.011 40.800 -0.011 0.000 1.046 189 D HN 0.369 nan 8.370 nan 0.000 0.498 190 K N 1.456 121.849 120.400 -0.011 0.000 2.442 190 K HA -0.087 4.233 4.320 0.000 0.000 0.199 190 K C 0.594 177.185 176.600 -0.015 0.000 1.044 190 K CA 0.885 57.165 56.287 -0.012 0.000 0.941 190 K CB 0.253 32.747 32.500 -0.009 0.000 0.759 190 K HN 0.383 nan 8.250 nan 0.000 0.472 191 D N -0.541 119.850 120.400 -0.016 0.000 2.349 191 D HA 0.057 4.697 4.640 0.000 0.000 0.214 191 D C 1.101 177.387 176.300 -0.023 0.000 1.063 191 D CA 0.320 54.309 54.000 -0.019 0.000 0.847 191 D CB 0.337 41.127 40.800 -0.017 0.000 0.933 191 D HN 0.165 nan 8.370 nan 0.000 0.513 192 L N 0.185 121.394 121.223 -0.023 0.000 2.446 192 L HA 0.196 4.536 4.340 0.000 0.000 0.219 192 L C 0.707 177.558 176.870 -0.032 0.000 1.116 192 L CA 0.338 55.162 54.840 -0.027 0.000 0.844 192 L CB 0.330 42.374 42.059 -0.024 0.000 0.970 192 L HN -0.152 nan 8.230 nan 0.000 0.457 193 I N 1.035 121.588 120.570 -0.029 0.000 2.287 193 I HA 0.095 4.265 4.170 0.000 0.000 0.290 193 I C 0.375 176.473 176.117 -0.032 0.000 1.069 193 I CA -0.156 61.126 61.300 -0.030 0.000 1.237 193 I CB 0.687 38.672 38.000 -0.024 0.000 1.418 193 I HN 0.001 nan 8.210 nan 0.000 0.481 194 K N 7.320 127.696 120.400 -0.040 0.000 2.322 194 K HA 0.424 4.744 4.320 0.000 0.000 0.283 194 K C -0.704 175.870 176.600 -0.043 0.000 1.042 194 K CA -0.240 56.020 56.287 -0.046 0.000 0.958 194 K CB 0.794 33.257 32.500 -0.061 0.000 0.984 194 K HN 0.576 nan 8.250 nan 0.000 0.473 195 I N 3.934 124.481 120.570 -0.038 0.000 2.355 195 I HA 0.164 4.334 4.170 0.000 0.000 0.288 195 I C -0.526 175.567 176.117 -0.038 0.000 0.999 195 I CA -0.735 60.546 61.300 -0.033 0.000 1.163 195 I CB 1.695 39.682 38.000 -0.023 0.000 1.316 195 I HN 0.649 nan 8.210 nan 0.000 0.454 196 E N 6.742 126.916 120.200 -0.043 0.000 2.199 196 E HA 0.436 4.786 4.350 0.000 0.000 0.269 196 E C -1.274 175.306 176.600 -0.033 0.000 0.899 196 E CA -0.688 55.682 56.400 -0.050 0.000 0.772 196 E CB 1.437 31.089 29.700 -0.080 0.000 1.155 196 E HN 0.311 nan 8.360 nan 0.000 0.408 197 K N 4.034 124.416 120.400 -0.030 0.000 2.394 197 K HA 0.526 4.846 4.320 0.000 0.000 0.260 197 K C -0.773 175.817 176.600 -0.016 0.000 0.967 197 K CA -1.037 55.238 56.287 -0.020 0.000 0.855 197 K CB 1.556 34.043 32.500 -0.021 0.000 1.101 197 K HN 0.183 nan 8.250 nan 0.000 0.433 198 K N 1.583 121.981 120.400 -0.003 0.000 2.513 198 K HA 0.146 4.466 4.320 0.000 0.000 0.251 198 K C 0.782 177.389 176.600 0.012 0.000 0.939 198 K CA -0.400 55.891 56.287 0.007 0.000 0.793 198 K CB 2.064 34.580 32.500 0.027 0.000 1.241 198 K HN 0.722 nan 8.250 nan 0.000 0.431 199 S N 1.890 117.594 115.700 0.006 0.000 2.523 199 S HA -0.126 4.344 4.470 0.000 0.000 0.226 199 S C 1.031 175.637 174.600 0.010 0.000 1.062 199 S CA 1.133 59.334 58.200 0.003 0.000 1.207 199 S CB -0.990 62.209 63.200 -0.003 0.000 1.151 199 S HN 1.136 nan 8.310 nan 0.000 0.408 200 G N 0.769 109.577 108.800 0.013 0.000 2.915 200 G HA2 0.219 4.179 3.960 0.000 0.000 0.337 200 G HA3 0.219 4.179 3.960 0.000 0.000 0.337 200 G C 0.061 174.967 174.900 0.010 0.000 1.477 200 G CA -0.073 45.035 45.100 0.014 0.000 0.916 200 G HN 1.766 nan 8.290 nan 0.000 0.550 201 A N 0.371 123.196 122.820 0.009 0.000 3.215 201 A HA 0.735 5.055 4.320 0.000 0.000 0.269 201 A C 1.121 178.709 177.584 0.007 0.000 1.517 201 A CA 1.303 53.344 52.037 0.007 0.000 1.221 201 A CB -0.119 18.884 19.000 0.005 0.000 1.160 201 A HN 1.970 nan 8.150 nan 0.000 0.620 202 S N 0.266 115.970 115.700 0.008 0.000 3.152 202 S HA 0.319 4.789 4.470 0.000 0.000 0.173 202 S C 1.441 176.046 174.600 0.008 0.000 0.751 202 S CA 0.777 58.982 58.200 0.009 0.000 0.933 202 S CB -0.389 62.818 63.200 0.012 0.000 0.877 202 S HN 0.777 nan 8.310 nan 0.000 0.766 203 I N 1.200 121.776 120.570 0.009 0.000 3.986 203 I HA -0.415 3.755 4.170 0.000 0.000 0.129 203 I C 0.990 177.111 176.117 0.008 0.000 0.493 203 I CA 2.176 63.481 61.300 0.008 0.000 1.177 203 I CB -1.216 36.788 38.000 0.008 0.000 1.035 203 I HN 0.443 nan 8.210 nan 0.000 0.211 204 D N 0.665 121.069 120.400 0.006 0.000 2.277 204 D HA -0.067 4.573 4.640 0.000 0.000 0.208 204 D C 1.387 177.692 176.300 0.008 0.000 0.962 204 D CA 1.002 55.005 54.000 0.005 0.000 0.865 204 D CB -0.178 40.624 40.800 0.003 0.000 0.939 204 D HN 0.449 nan 8.370 nan 0.000 0.510 205 D N 0.006 120.412 120.400 0.010 0.000 2.363 205 D HA -0.043 4.597 4.640 0.000 0.000 0.226 205 D C 0.500 176.812 176.300 0.019 0.000 1.020 205 D CA 0.316 54.325 54.000 0.014 0.000 0.892 205 D CB -0.353 40.457 40.800 0.016 0.000 0.900 205 D HN 0.217 nan 8.370 nan 0.000 0.531 206 T N -0.011 114.553 114.554 0.016 0.000 2.928 206 T HA 0.216 4.566 4.350 0.000 0.000 0.305 206 T C 0.156 174.866 174.700 0.018 0.000 1.035 206 T CA -0.396 61.715 62.100 0.017 0.000 1.145 206 T CB 1.020 69.895 68.868 0.012 0.000 0.963 206 T HN 0.246 nan 8.240 nan 0.000 0.545 207 E N 2.067 122.281 120.200 0.023 0.000 2.429 207 E HA 0.558 4.908 4.350 0.000 0.000 0.276 207 E C -1.528 175.085 176.600 0.021 0.000 0.953 207 E CA -1.360 55.054 56.400 0.023 0.000 0.787 207 E CB 1.269 30.989 29.700 0.034 0.000 1.307 207 E HN 0.469 nan 8.360 nan 0.000 0.458 208 L N 1.895 123.128 121.223 0.017 0.000 2.290 208 L HA 0.443 4.783 4.340 0.000 0.000 0.284 208 L C -0.934 175.949 176.870 0.022 0.000 1.078 208 L CA -0.339 54.508 54.840 0.012 0.000 0.815 208 L CB 0.653 42.715 42.059 0.004 0.000 1.162 208 L HN 0.580 nan 8.230 nan 0.000 0.435 209 I N 5.598 126.179 120.570 0.019 0.000 2.354 209 I HA 0.242 4.412 4.170 0.000 0.000 0.286 209 I C 0.129 176.251 176.117 0.008 0.000 1.007 209 I CA -0.599 60.719 61.300 0.030 0.000 1.167 209 I CB 0.915 38.940 38.000 0.041 0.000 1.320 209 I HN 0.523 nan 8.210 nan 0.000 0.458 210 K N 5.816 126.222 120.400 0.011 0.000 2.155 210 K HA 0.419 4.740 4.320 0.000 0.000 0.240 210 K C 0.387 176.986 176.600 -0.001 0.000 1.193 210 K CA -0.201 56.084 56.287 -0.003 0.000 1.104 210 K CB 0.354 32.852 32.500 -0.004 0.000 1.558 210 K HN 0.904 nan 8.250 nan 0.000 0.313 211 G N -0.421 108.371 108.800 -0.014 0.000 2.498 211 G HA2 0.195 4.156 3.960 0.000 0.000 0.181 211 G HA3 0.195 4.156 3.960 0.000 0.000 0.181 211 G C -1.562 173.306 174.900 -0.054 0.000 1.169 211 G CA -0.640 44.447 45.100 -0.022 0.000 0.992 211 G HN 0.103 nan 8.290 nan 0.000 0.490 212 V N 0.300 120.168 119.914 -0.077 0.000 2.841 212 V HA 0.702 4.822 4.120 0.000 0.000 0.310 212 V C -1.015 174.976 176.094 -0.172 0.000 1.090 212 V CA -0.663 61.560 62.300 -0.128 0.000 0.930 212 V CB 1.842 33.566 31.823 -0.166 0.000 1.014 212 V HN 0.695 nan 8.190 nan 0.000 0.425 213 L N 4.168 125.262 121.223 -0.216 0.000 2.272 213 L HA 0.662 5.002 4.340 0.000 0.000 0.289 213 L C -0.426 176.300 176.870 -0.239 0.000 1.032 213 L CA 0.092 54.738 54.840 -0.324 0.000 0.810 213 L CB 1.632 43.456 42.059 -0.391 0.000 1.205 213 L HN 0.545 nan 8.230 nan 0.000 0.422 214 V N 3.033 122.824 119.914 -0.205 0.000 2.417 214 V HA 0.279 4.399 4.120 0.000 0.000 0.291 214 V C -0.130 175.925 176.094 -0.065 0.000 1.024 214 V CA -0.726 61.502 62.300 -0.120 0.000 0.861 214 V CB 1.522 33.291 31.823 -0.090 0.000 0.985 214 V HN 0.592 nan 8.190 nan 0.000 0.436 215 D N 4.121 124.490 120.400 -0.051 0.000 3.032 215 D HA 0.198 4.838 4.640 0.000 0.000 0.241 215 D C 0.334 176.643 176.300 0.015 0.000 1.196 215 D CA 0.283 54.269 54.000 -0.023 0.000 0.927 215 D CB 0.011 40.793 40.800 -0.030 0.000 1.129 215 D HN 0.383 nan 8.370 nan 0.000 0.458 216 K N 0.293 120.721 120.400 0.047 0.000 2.261 216 K HA 0.527 4.847 4.320 0.000 0.000 0.242 216 K C -0.137 176.512 176.600 0.081 0.000 1.083 216 K CA -0.745 55.583 56.287 0.069 0.000 0.880 216 K CB 1.426 33.987 32.500 0.102 0.000 1.353 216 K HN 0.238 nan 8.250 nan 0.000 0.486 217 E N -0.095 120.147 120.200 0.069 0.000 2.356 217 E HA 0.415 4.765 4.350 0.000 0.000 0.275 217 E C -1.095 175.527 176.600 0.037 0.000 0.904 217 E CA -1.229 55.207 56.400 0.061 0.000 0.757 217 E CB 1.328 31.058 29.700 0.049 0.000 1.232 217 E HN 0.380 nan 8.360 nan 0.000 0.442 218 R N 0.679 121.193 120.500 0.023 0.000 2.481 218 R HA -0.040 4.301 4.340 0.000 0.000 0.291 218 R C 0.687 176.984 176.300 -0.006 0.000 0.934 218 R CA 0.040 56.134 56.100 -0.010 0.000 1.116 218 R CB -0.037 30.255 30.300 -0.013 0.000 0.895 218 R HN 0.478 nan 8.270 nan 0.000 0.410 219 V N 1.718 121.623 119.914 -0.016 0.000 2.626 219 V HA -0.127 3.994 4.120 0.000 0.000 0.252 219 V C 0.474 176.564 176.094 -0.006 0.000 1.067 219 V CA 2.116 64.412 62.300 -0.007 0.000 1.081 219 V CB 0.174 31.991 31.823 -0.010 0.000 0.686 219 V HN 0.835 nan 8.190 nan 0.000 0.468 220 S N -1.394 114.299 115.700 -0.011 0.000 2.478 220 S HA 0.660 5.130 4.470 0.000 0.000 0.312 220 S C 0.848 175.445 174.600 -0.004 0.000 1.094 220 S CA -0.156 58.040 58.200 -0.006 0.000 1.081 220 S CB 1.669 64.866 63.200 -0.006 0.000 1.007 220 S HN 0.539 nan 8.310 nan 0.000 0.475 221 A N 3.607 126.427 122.820 0.000 0.000 2.121 221 A HA -0.055 4.265 4.320 0.000 0.000 0.218 221 A C 1.829 179.413 177.584 0.001 0.000 1.154 221 A CA 1.184 53.222 52.037 0.001 0.000 0.679 221 A CB -0.408 18.593 19.000 0.003 0.000 0.795 221 A HN 0.871 nan 8.150 nan 0.000 0.458 222 Q N -0.933 118.868 119.800 0.002 0.000 2.432 222 Q HA 0.101 4.442 4.340 0.000 0.000 0.205 222 Q C 0.465 176.461 176.000 -0.007 0.000 0.945 222 Q CA -0.081 55.723 55.803 0.003 0.000 0.924 222 Q CB -0.101 28.645 28.738 0.014 0.000 1.016 222 Q HN 0.706 nan 8.270 nan 0.000 0.503 223 M N 1.662 121.254 119.600 -0.013 0.000 2.207 223 M HA 0.165 4.645 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 -1.707 53.580 55.300 -0.021 0.000 1.181 223 M CB 0.034 32.615 32.600 -0.032 0.000 1.409 223 M HN -0.100 nan 8.290 nan 0.000 0.461 224 P HA 0.016 nan 4.420 nan 0.000 0.267 224 P C -0.618 176.676 177.300 -0.010 0.000 1.200 224 P CA 0.283 63.375 63.100 -0.014 0.000 0.772 224 P CB 0.428 32.119 31.700 -0.016 0.000 0.855 225 K N 1.126 121.523 120.400 -0.004 0.000 2.414 225 K HA 0.176 4.496 4.320 0.000 0.000 0.204 225 K C -0.021 176.581 176.600 0.005 0.000 1.026 225 K CA -0.030 56.258 56.287 0.003 0.000 1.108 225 K CB 0.241 32.743 32.500 0.003 0.000 0.855 225 K HN 0.245 nan 8.250 nan 0.000 0.517 226 K N 0.386 120.787 120.400 0.002 0.000 2.557 226 K HA 0.302 4.622 4.320 0.000 0.000 0.257 226 K C -1.902 174.701 176.600 0.006 0.000 0.933 226 K CA -0.764 55.526 56.287 0.006 0.000 0.820 226 K CB 2.127 34.625 32.500 -0.003 0.000 1.330 226 K HN -0.143 nan 8.250 nan 0.000 0.432 227 V N 2.292 122.215 119.914 0.015 0.000 2.760 227 V HA 0.488 4.608 4.120 0.000 0.000 0.309 227 V C -0.502 175.605 176.094 0.022 0.000 1.077 227 V CA -0.773 61.536 62.300 0.014 0.000 0.910 227 V CB 1.960 33.791 31.823 0.013 0.000 1.008 227 V HN 0.968 nan 8.190 nan 0.000 0.424 228 T N -0.652 113.912 114.554 0.017 0.000 2.918 228 T HA 0.514 4.864 4.350 0.000 0.000 0.286 228 T C -0.119 174.594 174.700 0.022 0.000 1.026 228 T CA -0.501 61.611 62.100 0.021 0.000 1.031 228 T CB 1.425 70.302 68.868 0.014 0.000 1.046 228 T HN 0.720 nan 8.240 nan 0.000 0.479 229 D N -0.198 120.218 120.400 0.027 0.000 2.737 229 D HA -0.171 4.469 4.640 0.000 0.000 0.233 229 D C 0.591 176.909 176.300 0.029 0.000 1.155 229 D CA 1.032 55.048 54.000 0.027 0.000 0.667 229 D CB -1.463 39.349 40.800 0.020 0.000 1.060 229 D HN 1.056 nan 8.370 nan 0.000 0.427 230 A N 0.242 123.083 122.820 0.036 0.000 2.406 230 A HA 0.254 4.574 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 0.319 52.379 52.037 0.037 0.000 0.786 230 A CB 0.771 19.799 19.000 0.046 0.000 1.029 230 A HN 0.085 nan 8.150 nan 0.000 0.495 231 K N 1.502 121.923 120.400 0.035 0.000 2.339 231 K HA 0.470 4.790 4.320 0.000 0.000 0.264 231 K C -1.276 175.352 176.600 0.047 0.000 0.986 231 K CA -0.055 56.256 56.287 0.039 0.000 0.866 231 K CB 1.305 33.821 32.500 0.026 0.000 1.103 231 K HN 0.622 nan 8.250 nan 0.000 0.441 232 I N 2.406 123.019 120.570 0.072 0.000 2.321 232 I HA 0.258 4.428 4.170 0.000 0.000 0.291 232 I C 0.067 176.243 176.117 0.099 0.000 0.998 232 I CA -0.665 60.701 61.300 0.109 0.000 1.227 232 I CB 1.704 39.818 38.000 0.190 0.000 1.368 232 I HN 0.503 nan 8.210 nan 0.000 0.466 233 A N 7.715 130.586 122.820 0.085 0.000 2.256 233 A HA 0.686 5.006 4.320 0.000 0.000 0.317 233 A C -0.775 176.874 177.584 0.108 0.000 1.318 233 A CA -0.455 51.625 52.037 0.072 0.000 0.894 233 A CB 0.309 19.331 19.000 0.036 0.000 1.165 233 A HN 0.574 nan 8.150 nan 0.000 0.525 234 L N 3.093 124.383 121.223 0.112 0.000 2.260 234 L HA 0.361 4.701 4.340 0.000 0.000 0.289 234 L C -0.167 176.751 176.870 0.080 0.000 1.057 234 L CA 0.391 55.306 54.840 0.126 0.000 0.811 234 L CB 1.047 43.165 42.059 0.098 0.000 1.184 234 L HN 0.623 nan 8.230 nan 0.000 0.429 235 L N 3.790 125.062 121.223 0.081 0.000 2.276 235 L HA 0.337 4.677 4.340 0.000 0.000 0.286 235 L C 1.037 177.936 176.870 0.049 0.000 1.024 235 L CA -0.361 54.512 54.840 0.054 0.000 0.826 235 L CB 1.131 43.216 42.059 0.044 0.000 1.211 235 L HN 0.601 nan 8.230 nan 0.000 0.422 236 N N 1.500 120.222 118.700 0.037 0.000 2.521 236 N HA -0.046 4.694 4.740 0.000 0.000 0.188 236 N C 0.266 175.791 175.510 0.025 0.000 1.146 236 N CA 0.101 53.168 53.050 0.029 0.000 0.893 236 N CB 0.104 38.604 38.487 0.022 0.000 0.975 236 N HN 0.514 nan 8.380 nan 0.000 0.451 237 C N -0.172 119.144 119.300 0.026 0.000 2.365 237 C HA 0.788 5.248 4.460 0.000 0.000 0.374 237 C C 0.018 175.023 174.990 0.024 0.000 1.318 237 C CA -0.636 58.396 59.018 0.022 0.000 2.239 237 C CB 0.352 28.105 27.740 0.020 0.000 2.144 237 C HN 0.419 nan 8.230 nan 0.000 0.581 238 A N 2.447 125.280 122.820 0.022 0.000 2.285 238 A HA 0.633 4.953 4.320 0.000 0.000 0.310 238 A C -0.443 177.155 177.584 0.024 0.000 1.266 238 A CA -0.369 51.681 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 0.752 nan 8.150 nan 0.000 0.499 239 I N 2.815 123.401 120.570 0.026 0.000 2.349 239 I HA 0.074 4.244 4.170 0.000 0.000 0.302 239 I C 0.555 176.693 176.117 0.034 0.000 1.180 239 I CA -0.057 61.261 61.300 0.031 0.000 1.405 239 I CB -0.190 37.830 38.000 0.033 0.000 1.474 239 I HN 0.605 nan 8.210 nan 0.000 0.632 264 T N -4.354 110.226 114.554 0.043 0.000 3.442 264 T HA 0.693 5.043 4.350 0.000 0.000 0.135 264 T C 1.016 175.733 174.700 0.028 0.000 0.806 264 T CA 1.838 63.956 62.100 0.031 0.000 0.810 264 T CB 0.311 69.196 68.868 0.029 0.000 1.131 264 T HN 2.168 nan 8.240 nan 0.000 0.264 265 A N 0.001 122.842 122.820 0.036 0.000 2.441 265 A HA 0.684 5.004 4.320 0.000 0.000 0.209 265 A C 0.458 178.067 177.584 0.041 0.000 1.645 265 A CA 0.566 52.621 52.037 0.030 0.000 1.362 265 A CB -0.134 18.876 19.000 0.016 0.000 1.035 265 A HN 0.674 nan 8.150 nan 0.000 0.487 266 S N 1.377 117.111 115.700 0.056 0.000 2.949 266 S HA 0.287 4.757 4.470 0.000 0.000 0.246 266 S C 0.352 174.996 174.600 0.073 0.000 0.899 266 S CA 0.791 59.024 58.200 0.055 0.000 1.091 266 S CB -0.601 62.620 63.200 0.035 0.000 1.199 266 S HN 1.220 nan 8.310 nan 0.000 0.507 267 E N 0.325 120.603 120.200 0.130 0.000 2.202 267 E HA -0.257 4.093 4.350 0.000 0.000 0.214 267 E C 0.174 176.804 176.600 0.051 0.000 1.303 267 E CA 0.891 57.385 56.400 0.157 0.000 0.714 267 E CB -2.011 27.768 29.700 0.132 0.000 1.130 267 E HN 0.688 nan 8.360 nan 0.000 0.356 268 M N 0.289 119.924 119.600 0.058 0.000 2.747 268 M HA 0.005 4.485 4.480 0.000 0.000 0.221 268 M C 0.504 176.818 176.300 0.024 0.000 1.107 268 M CA 0.463 55.779 55.300 0.027 0.000 1.031 268 M CB 0.183 32.801 32.600 0.030 0.000 1.727 268 M HN 0.318 nan 8.290 nan 0.000 0.517 269 L N -1.643 119.599 121.223 0.032 0.000 2.878 269 L HA 0.166 4.506 4.340 0.000 0.000 0.253 269 L C 1.569 178.388 176.870 -0.086 0.000 1.135 269 L CA 0.672 55.546 54.840 0.057 0.000 0.943 269 L CB -0.561 41.629 42.059 0.218 0.000 1.307 269 L HN 0.174 nan 8.230 nan 0.000 0.545 270 K N 0.371 120.585 120.400 -0.310 0.000 2.283 270 K HA -0.125 4.195 4.320 0.000 0.000 0.202 270 K C 1.237 177.723 176.600 -0.191 0.000 1.048 270 K CA 1.063 57.096 56.287 -0.423 0.000 0.948 270 K CB 0.227 32.435 32.500 -0.486 0.000 0.742 270 K HN 0.240 nan 8.250 nan 0.000 0.458 271 D N 1.093 121.423 120.400 -0.116 0.000 2.081 271 D HA -0.151 4.489 4.640 0.000 0.000 0.194 271 D C 1.822 178.096 176.300 -0.043 0.000 0.986 271 D CA 1.404 55.366 54.000 -0.064 0.000 0.837 271 D CB -0.264 40.512 40.800 -0.040 0.000 0.985 271 D HN 0.082 nan 8.370 nan 0.000 0.448 272 M N 0.298 119.884 119.600 -0.023 0.000 2.144 272 M HA -0.145 4.335 4.480 0.000 0.000 0.260 272 M C 2.172 178.469 176.300 -0.004 0.000 1.067 272 M CA 0.953 56.250 55.300 -0.004 0.000 1.095 272 M CB -0.079 32.531 32.600 0.017 0.000 1.365 272 M HN -0.102 nan 8.290 nan 0.000 0.406 273 V N -0.505 119.401 119.914 -0.012 0.000 2.719 273 V HA -0.095 4.026 4.120 0.000 0.000 0.252 273 V C 2.211 178.288 176.094 -0.028 0.000 1.065 273 V CA 1.665 63.964 62.300 -0.003 0.000 1.086 273 V CB -0.736 31.105 31.823 0.029 0.000 0.700 273 V HN 0.504 nan 8.190 nan 0.000 0.467 274 A N -0.769 122.020 122.820 -0.051 0.000 2.220 274 A HA 0.090 4.410 4.320 0.000 0.000 0.211 274 A C 1.950 179.515 177.584 -0.032 0.000 1.176 274 A CA 0.248 52.256 52.037 -0.048 0.000 0.834 274 A CB -0.106 18.853 19.000 -0.068 0.000 0.868 274 A HN 0.535 nan 8.150 nan 0.000 0.488 275 E N -0.128 120.056 120.200 -0.026 0.000 2.285 275 E HA -0.004 4.346 4.350 0.000 0.000 0.194 275 E C 1.370 177.964 176.600 -0.010 0.000 0.997 275 E CA 0.717 57.108 56.400 -0.016 0.000 0.845 275 E CB -0.082 29.610 29.700 -0.012 0.000 0.782 275 E HN 0.697 nan 8.360 nan 0.000 0.491 276 I N 0.905 121.469 120.570 -0.009 0.000 2.480 276 I HA -0.147 4.023 4.170 0.000 0.000 0.251 276 I C 2.415 178.528 176.117 -0.008 0.000 1.124 276 I CA 0.703 62.000 61.300 -0.005 0.000 1.444 276 I CB -0.008 37.990 38.000 -0.003 0.000 1.098 276 I HN -0.078 nan 8.210 nan 0.000 0.428 277 K N 1.539 121.931 120.400 -0.013 0.000 2.439 277 K HA -0.033 4.287 4.320 0.000 0.000 0.197 277 K C 2.002 178.595 176.600 -0.012 0.000 1.041 277 K CA 0.859 57.138 56.287 -0.014 0.000 0.970 277 K CB 0.117 32.606 32.500 -0.019 0.000 0.773 277 K HN 0.284 nan 8.250 nan 0.000 0.479 278 A N 0.719 123.532 122.820 -0.012 0.000 1.968 278 A HA -0.096 4.224 4.320 0.000 0.000 0.217 278 A C 1.960 179.541 177.584 -0.005 0.000 1.169 278 A CA 1.678 53.709 52.037 -0.010 0.000 0.638 278 A CB -0.294 18.700 19.000 -0.011 0.000 0.812 278 A HN 0.440 nan 8.150 nan 0.000 0.446 279 S N -2.097 113.601 115.700 -0.003 0.000 2.496 279 S HA 0.371 4.841 4.470 0.000 0.000 0.224 279 S C 1.358 175.959 174.600 0.002 0.000 0.996 279 S CA 0.992 59.192 58.200 0.001 0.000 0.927 279 S CB -0.113 63.090 63.200 0.005 0.000 0.774 279 S HN 1.859 nan 8.310 nan 0.000 0.524 280 G N 0.665 109.464 108.800 -0.000 0.000 2.131 280 G HA2 0.034 3.994 3.960 0.000 0.000 0.201 280 G HA3 0.034 3.994 3.960 0.000 0.000 0.201 280 G C 0.023 174.924 174.900 0.002 0.000 1.000 280 G CA -0.300 44.800 45.100 0.000 0.000 0.680 280 G HN 1.187 nan 8.290 nan 0.000 0.514 281 A N 0.552 123.372 122.820 0.001 0.000 2.269 281 A HA 0.638 4.958 4.320 0.000 0.000 0.302 281 A C 1.003 178.581 177.584 -0.010 0.000 1.266 281 A CA 0.258 52.296 52.037 0.001 0.000 0.894 281 A CB 0.249 19.252 19.000 0.005 0.000 1.147 281 A HN 0.895 nan 8.150 nan 0.000 0.537 282 N N 1.694 120.388 118.700 -0.010 0.000 2.268 282 N HA 0.169 4.909 4.740 0.000 0.000 0.204 282 N C -0.565 174.920 175.510 -0.041 0.000 1.124 282 N CA 0.048 53.085 53.050 -0.021 0.000 0.838 282 N CB 0.409 38.889 38.487 -0.011 0.000 0.994 282 N HN 0.212 nan 8.380 nan 0.000 0.489 283 V N 0.582 120.465 119.914 -0.052 0.000 2.891 283 V HA 0.489 4.609 4.120 0.000 0.000 0.304 283 V C -1.637 174.372 176.094 -0.142 0.000 1.171 283 V CA -1.023 61.204 62.300 -0.121 0.000 0.943 283 V CB 2.352 34.129 31.823 -0.077 0.000 1.037 283 V HN 0.158 nan 8.190 nan 0.000 0.427 284 L N 4.528 125.579 121.223 -0.287 0.000 2.476 284 L HA 0.726 5.066 4.340 0.000 0.000 0.269 284 L C -1.880 174.777 176.870 -0.354 0.000 0.965 284 L CA 0.101 54.821 54.840 -0.201 0.000 0.845 284 L CB 1.679 43.678 42.059 -0.101 0.000 1.259 284 L HN 0.471 nan 8.230 nan 0.000 0.403 285 F N 4.826 124.782 119.950 0.011 0.000 2.361 285 F HA 0.495 5.022 4.527 0.000 0.000 0.364 285 F C 0.196 176.001 175.800 0.008 0.000 1.117 285 F CA -0.323 57.682 58.000 0.009 0.000 1.071 285 F CB 1.387 40.391 39.000 0.007 0.000 1.188 285 F HN 0.483 nan 8.300 nan 0.000 0.464 286 C N 4.181 123.566 119.300 0.143 0.000 2.329 286 C HA 0.218 4.678 4.460 0.000 0.000 0.329 286 C C 1.594 176.637 174.990 0.088 0.000 1.275 286 C CA -0.351 58.721 59.018 0.091 0.000 1.726 286 C CB 0.849 28.618 27.740 0.048 0.000 2.291 286 C HN 1.035 nan 8.230 nan 0.000 0.514 287 Q N 3.125 122.965 119.800 0.067 0.000 2.187 287 Q HA 0.008 4.348 4.340 0.000 0.000 0.199 287 Q C 0.949 176.971 176.000 0.037 0.000 0.957 287 Q CA 1.110 56.943 55.803 0.049 0.000 0.857 287 Q CB 0.230 28.990 28.738 0.036 0.000 0.929 287 Q HN 0.627 nan 8.270 nan 0.000 0.453 288 K N -0.020 120.401 120.400 0.034 0.000 2.762 288 K HA 0.380 4.700 4.320 0.000 0.000 0.292 288 K C 0.171 176.788 176.600 0.027 0.000 1.008 288 K CA -0.000 56.303 56.287 0.027 0.000 1.142 288 K CB -0.565 31.949 32.500 0.023 0.000 1.490 288 K HN 0.147 nan 8.250 nan 0.000 0.581 289 G N 0.358 109.171 108.800 0.022 0.000 2.420 289 G HA2 0.539 4.499 3.960 0.000 0.000 0.284 289 G HA3 0.539 4.499 3.960 0.000 0.000 0.284 289 G C -0.476 174.436 174.900 0.021 0.000 1.177 289 G CA -0.592 44.521 45.100 0.021 0.000 0.841 289 G HN 0.299 nan 8.290 nan 0.000 0.527 290 I N 2.007 122.588 120.570 0.019 0.000 2.390 290 I HA 0.132 4.302 4.170 0.000 0.000 0.283 290 I C 0.016 176.143 176.117 0.017 0.000 1.016 290 I CA -0.702 60.610 61.300 0.019 0.000 1.151 290 I CB 1.365 39.374 38.000 0.014 0.000 1.293 290 I HN 0.425 nan 8.210 nan 0.000 0.458 291 D N 4.461 124.874 120.400 0.021 0.000 2.364 291 D HA -0.084 4.556 4.640 0.000 0.000 0.236 291 D C 0.587 176.891 176.300 0.007 0.000 1.221 291 D CA 0.330 54.340 54.000 0.017 0.000 0.891 291 D CB 1.167 41.983 40.800 0.026 0.000 1.190 291 D HN 0.474 nan 8.370 nan 0.000 0.449 292 D N 1.540 121.937 120.400 -0.006 0.000 2.264 292 D HA -0.066 4.574 4.640 0.000 0.000 0.208 292 D C 1.808 178.076 176.300 -0.054 0.000 0.966 292 D CA 0.386 54.371 54.000 -0.025 0.000 0.864 292 D CB 0.159 40.941 40.800 -0.030 0.000 0.933 292 D HN 0.354 nan 8.370 nan 0.000 0.499 293 L N 0.221 121.415 121.223 -0.049 0.000 2.095 293 L HA 0.008 4.348 4.340 0.000 0.000 0.204 293 L C 2.008 178.795 176.870 -0.138 0.000 1.080 293 L CA 0.749 55.515 54.840 -0.123 0.000 0.759 293 L CB -0.099 41.959 42.059 -0.003 0.000 0.914 293 L HN -0.051 nan 8.230 nan 0.000 0.439 294 A N -1.313 121.536 122.820 0.049 0.000 2.259 294 A HA -0.062 4.258 4.320 0.000 0.000 0.208 294 A C 1.900 179.515 177.584 0.052 0.000 1.201 294 A CA 0.432 52.548 52.037 0.133 0.000 0.824 294 A CB -0.165 18.911 19.000 0.127 0.000 0.838 294 A HN 0.473 nan 8.150 nan 0.000 0.485 295 Q N -1.741 118.058 119.800 -0.001 0.000 2.339 295 Q HA -0.023 4.317 4.340 0.000 0.000 0.205 295 Q C 1.852 177.844 176.000 -0.013 0.000 0.925 295 Q CA 0.664 56.463 55.803 -0.006 0.000 0.898 295 Q CB -0.080 28.654 28.738 -0.007 0.000 1.013 295 Q HN 0.945 nan 8.270 nan 0.000 0.504 296 H N -0.625 118.343 119.070 -0.170 0.000 2.448 296 H HA -0.062 4.495 4.556 0.000 0.000 0.292 296 H C 0.971 176.220 175.328 -0.131 0.000 1.035 296 H CA 0.960 56.889 56.048 -0.199 0.000 1.349 296 H CB 0.373 29.945 29.762 -0.317 0.000 1.425 296 H HN 0.220 nan 8.280 nan 0.000 0.539 297 Y N 0.762 120.954 120.300 -0.179 0.000 2.373 297 Y HA -0.046 4.504 4.550 0.000 0.000 0.293 297 Y C 2.677 178.485 175.900 -0.154 0.000 1.129 297 Y CA 0.402 58.379 58.100 -0.204 0.000 1.226 297 Y CB -0.297 38.123 38.460 -0.066 0.000 1.000 297 Y HN 0.150 nan 8.280 nan 0.000 0.549 298 L N -1.123 120.115 121.223 0.025 0.000 2.049 298 L HA -0.104 4.236 4.340 0.000 0.000 0.203 298 L C 2.654 179.497 176.870 -0.045 0.000 1.074 298 L CA 0.996 55.831 54.840 -0.009 0.000 0.749 298 L CB -0.820 41.233 42.059 -0.010 0.000 0.907 298 L HN 0.150 nan 8.230 nan 0.000 0.439 299 A N -0.028 122.753 122.820 -0.065 0.000 1.948 299 A HA -0.291 4.029 4.320 0.000 0.000 0.220 299 A C 2.334 179.871 177.584 -0.079 0.000 1.177 299 A CA 2.081 54.081 52.037 -0.063 0.000 0.636 299 A CB -0.487 18.486 19.000 -0.045 0.000 0.815 299 A HN 0.311 nan 8.150 nan 0.000 0.449 300 K N -0.840 119.475 120.400 -0.141 0.000 2.211 300 K HA -0.098 4.222 4.320 0.000 0.000 0.203 300 K C 1.562 178.125 176.600 -0.062 0.000 1.050 300 K CA 1.184 57.394 56.287 -0.130 0.000 0.945 300 K CB 0.021 32.386 32.500 -0.226 0.000 0.732 300 K HN 0.447 nan 8.250 nan 0.000 0.451 301 E N -1.128 119.043 120.200 -0.048 0.000 2.318 301 E HA 0.003 4.353 4.350 0.000 0.000 0.193 301 E C 1.066 177.650 176.600 -0.027 0.000 0.998 301 E CA 0.946 57.328 56.400 -0.030 0.000 0.859 301 E CB 0.783 30.469 29.700 -0.023 0.000 0.812 301 E HN 0.515 nan 8.360 nan 0.000 0.492 302 G N 1.550 110.332 108.800 -0.031 0.000 2.163 302 G HA2 -0.225 3.735 3.960 0.000 0.000 0.213 302 G HA3 -0.225 3.735 3.960 0.000 0.000 0.213 302 G C 0.272 175.154 174.900 -0.030 0.000 0.991 302 G CA 0.011 45.095 45.100 -0.026 0.000 0.653 302 G HN 0.184 nan 8.290 nan 0.000 0.518 303 I N 1.905 122.453 120.570 -0.036 0.000 2.325 303 I HA 0.398 4.568 4.170 0.000 0.000 0.291 303 I C 0.867 176.945 176.117 -0.065 0.000 1.019 303 I CA -1.064 60.208 61.300 -0.047 0.000 1.302 303 I CB 1.423 39.398 38.000 -0.042 0.000 1.401 303 I HN -0.084 nan 8.210 nan 0.000 0.485 304 V N 5.120 124.982 119.914 -0.086 0.000 2.607 304 V HA 0.751 4.871 4.120 0.000 0.000 0.289 304 V C 0.439 176.418 176.094 -0.192 0.000 1.053 304 V CA -0.435 61.795 62.300 -0.116 0.000 0.996 304 V CB 1.042 32.800 31.823 -0.108 0.000 0.995 304 V HN 0.893 nan 8.190 nan 0.000 0.476 305 A N 3.046 125.756 122.820 -0.184 0.000 2.549 305 A HA 0.950 5.270 4.320 0.000 0.000 0.297 305 A C -0.600 176.882 177.584 -0.169 0.000 1.061 305 A CA -0.233 51.674 52.037 -0.216 0.000 0.690 305 A CB 1.899 20.828 19.000 -0.119 0.000 1.287 305 A HN 1.674 nan 8.150 nan 0.000 0.402 306 A N 1.836 124.556 122.820 -0.168 0.000 2.374 306 A HA 0.774 5.094 4.320 0.000 0.000 0.305 306 A C -0.090 177.515 177.584 0.036 0.000 1.053 306 A CA -0.671 51.352 52.037 -0.023 0.000 0.726 306 A CB 0.936 19.983 19.000 0.078 0.000 1.229 306 A HN 1.219 nan 8.150 nan 0.000 0.431 307 R N 2.290 122.812 120.500 0.036 0.000 2.598 307 R HA 0.613 4.953 4.340 0.000 0.000 0.279 307 R C -0.623 175.707 176.300 0.051 0.000 0.984 307 R CA -0.460 55.664 56.100 0.040 0.000 0.999 307 R CB 0.567 30.882 30.300 0.024 0.000 1.114 307 R HN 0.783 nan 8.270 nan 0.000 0.493 308 R N 0.443 120.971 120.500 0.047 0.000 3.267 308 R HA -0.110 4.230 4.340 0.000 0.000 0.254 308 R C -0.595 175.732 176.300 0.046 0.000 0.993 308 R CA 0.672 56.796 56.100 0.040 0.000 0.670 308 R CB -1.929 28.388 30.300 0.028 0.000 1.125 308 R HN 0.466 nan 8.270 nan 0.000 0.434 309 V N 2.029 121.982 119.914 0.064 0.000 2.583 309 V HA 0.076 4.196 4.120 0.000 0.000 0.287 309 V C 1.285 177.392 176.094 0.022 0.000 1.051 309 V CA -0.363 61.970 62.300 0.055 0.000 1.010 309 V CB 1.357 33.234 31.823 0.089 0.000 0.988 309 V HN 0.116 nan 8.190 nan 0.000 0.478 310 K N 3.474 123.876 120.400 0.003 0.000 2.586 310 K HA -0.108 4.212 4.320 0.000 0.000 0.280 310 K C 1.277 177.870 176.600 -0.012 0.000 0.972 310 K CA 0.358 56.640 56.287 -0.008 0.000 1.040 310 K CB 0.427 32.915 32.500 -0.020 0.000 0.870 310 K HN 0.650 nan 8.250 nan 0.000 0.497 311 K N 1.949 122.344 120.400 -0.008 0.000 2.097 311 K HA -0.183 4.137 4.320 0.000 0.000 0.206 311 K C 1.820 178.407 176.600 -0.021 0.000 1.049 311 K CA 1.905 58.186 56.287 -0.009 0.000 0.933 311 K CB 0.029 32.526 32.500 -0.005 0.000 0.717 311 K HN 0.638 nan 8.250 nan 0.000 0.442 312 S N 0.480 116.165 115.700 -0.025 0.000 2.382 312 S HA -0.148 4.322 4.470 0.000 0.000 0.228 312 S C 1.525 176.094 174.600 -0.051 0.000 1.027 312 S CA 1.390 59.570 58.200 -0.034 0.000 0.991 312 S CB -0.271 62.910 63.200 -0.031 0.000 0.823 312 S HN 0.295 nan 8.310 nan 0.000 0.469 313 D N 0.587 120.951 120.400 -0.061 0.000 2.348 313 D HA 0.125 4.765 4.640 0.000 0.000 0.216 313 D C 1.619 177.847 176.300 -0.120 0.000 0.970 313 D CA 0.561 54.502 54.000 -0.098 0.000 0.889 313 D CB -0.039 40.700 40.800 -0.101 0.000 0.912 313 D HN 0.351 nan 8.370 nan 0.000 0.524 314 M N -0.194 119.361 119.600 -0.075 0.000 2.357 314 M HA 0.024 4.504 4.480 0.000 0.000 0.266 314 M C 1.770 178.037 176.300 -0.055 0.000 1.095 314 M CA 0.850 56.113 55.300 -0.062 0.000 1.156 314 M CB -0.509 32.079 32.600 -0.019 0.000 1.365 314 M HN -0.007 nan 8.290 nan 0.000 0.447 315 E N 0.139 120.312 120.200 -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 0.630 57.008 56.400 -0.037 0.000 0.809 315 E CB 0.031 29.714 29.700 -0.028 0.000 0.756 315 E HN 0.275 nan 8.360 nan 0.000 0.459 316 K N 0.766 121.125 120.400 -0.068 0.000 2.063 316 K HA -0.140 4.180 4.320 0.000 0.000 0.208 316 K C 2.180 178.722 176.600 -0.095 0.000 1.048 316 K CA 1.040 57.279 56.287 -0.081 0.000 0.928 316 K CB -0.313 32.127 32.500 -0.100 0.000 0.713 316 K HN 0.212 nan 8.250 nan 0.000 0.442 317 L N 0.321 121.466 121.223 -0.129 0.000 2.109 317 L HA -0.078 4.262 4.340 0.000 0.000 0.207 317 L C 2.565 179.393 176.870 -0.070 0.000 1.086 317 L CA 0.833 55.586 54.840 -0.147 0.000 0.760 317 L CB -0.518 41.382 42.059 -0.265 0.000 0.910 317 L HN 0.089 nan 8.230 nan 0.000 0.437 318 A N 0.731 123.522 122.820 -0.048 0.000 1.892 318 A HA -0.256 4.064 4.320 0.000 0.000 0.218 318 A C 2.305 179.883 177.584 -0.009 0.000 1.188 318 A CA 2.080 54.106 52.037 -0.017 0.000 0.631 318 A CB -0.330 18.663 19.000 -0.012 0.000 0.822 318 A HN 0.401 nan 8.150 nan 0.000 0.447 319 K N -0.691 119.699 120.400 -0.017 0.000 2.098 319 K HA 0.222 4.542 4.320 0.000 0.000 0.203 319 K C 2.297 178.895 176.600 -0.002 0.000 1.051 319 K CA 0.850 57.133 56.287 -0.006 0.000 0.957 319 K CB -0.243 32.249 32.500 -0.012 0.000 0.738 319 K HN 0.369 nan 8.250 nan 0.000 0.447 320 A N 1.688 124.496 122.820 -0.020 0.000 1.929 320 A HA -0.128 4.192 4.320 0.000 0.000 0.216 320 A C 2.295 179.881 177.584 0.003 0.000 1.176 320 A CA 2.023 54.049 52.037 -0.019 0.000 0.628 320 A CB -0.876 18.100 19.000 -0.040 0.000 0.816 320 A HN 0.453 nan 8.150 nan 0.000 0.444 321 T N -4.478 110.080 114.554 0.006 0.000 3.009 321 T HA 0.387 4.737 4.350 0.000 0.000 0.258 321 T C 1.350 176.074 174.700 0.041 0.000 1.063 321 T CA 1.175 63.292 62.100 0.027 0.000 1.139 321 T CB -0.124 68.763 68.868 0.031 0.000 0.890 321 T HN 1.727 nan 8.240 nan 0.000 0.471 322 G N 1.206 110.027 108.800 0.036 0.000 2.288 322 G HA2 0.229 4.189 3.960 0.000 0.000 0.205 322 G HA3 0.229 4.189 3.960 0.000 0.000 0.205 322 G C 0.092 175.011 174.900 0.030 0.000 1.071 322 G CA -0.124 44.999 45.100 0.039 0.000 0.788 322 G HN 0.983 nan 8.290 nan 0.000 0.491 323 A N -0.343 122.493 122.820 0.027 0.000 2.580 323 A HA 0.915 5.235 4.320 0.000 0.000 0.275 323 A C 0.277 177.875 177.584 0.024 0.000 1.321 323 A CA -0.653 51.403 52.037 0.030 0.000 0.924 323 A CB 0.909 19.933 19.000 0.040 0.000 1.512 323 A HN 0.430 nan 8.150 nan 0.000 0.492 324 N N -0.812 117.904 118.700 0.027 0.000 2.425 324 N HA 0.318 5.058 4.740 0.000 0.000 0.289 324 N C -1.681 173.844 175.510 0.025 0.000 1.074 324 N CA -0.335 52.728 53.050 0.021 0.000 0.905 324 N CB 2.101 40.599 38.487 0.019 0.000 1.586 324 N HN 0.244 nan 8.380 nan 0.000 0.490 325 V N 3.856 123.782 119.914 0.019 0.000 2.381 325 V HA 0.184 4.304 4.120 0.000 0.000 0.257 325 V C 0.490 176.596 176.094 0.020 0.000 1.057 325 V CA -0.044 62.268 62.300 0.021 0.000 1.013 325 V CB -0.318 31.514 31.823 0.015 0.000 1.069 325 V HN 0.452 nan 8.190 nan 0.000 0.484 326 I N 4.875 125.460 120.570 0.025 0.000 2.331 326 I HA 0.234 4.404 4.170 0.000 0.000 0.292 326 I C 1.349 177.478 176.117 0.020 0.000 0.998 326 I CA 0.255 61.567 61.300 0.021 0.000 1.267 326 I CB 1.435 39.448 38.000 0.021 0.000 1.386 326 I HN 0.499 nan 8.210 nan 0.000 0.476 327 T N 4.147 118.710 114.554 0.016 0.000 3.009 327 T HA -0.016 4.334 4.350 0.000 0.000 0.258 327 T C 0.934 175.642 174.700 0.014 0.000 1.063 327 T CA 0.673 62.782 62.100 0.015 0.000 1.139 327 T CB -0.143 68.733 68.868 0.012 0.000 0.890 327 T HN 0.404 nan 8.240 nan 0.000 0.471 328 N N 1.438 120.145 118.700 0.012 0.000 2.462 328 N HA 0.253 4.993 4.740 0.000 0.000 0.242 328 N C 0.646 176.163 175.510 0.011 0.000 1.010 328 N CA -0.326 52.731 53.050 0.011 0.000 0.939 328 N CB 0.471 38.963 38.487 0.008 0.000 1.127 328 N HN 0.163 nan 8.380 nan 0.000 0.509 329 I N 3.255 123.832 120.570 0.011 0.000 2.454 329 I HA -0.216 3.954 4.170 0.000 0.000 0.254 329 I C 1.449 177.570 176.117 0.007 0.000 1.156 329 I CA 1.129 62.435 61.300 0.011 0.000 1.433 329 I CB 0.255 38.262 38.000 0.012 0.000 1.082 329 I HN 0.428 nan 8.210 nan 0.000 0.432 330 K N 0.135 120.539 120.400 0.005 0.000 2.057 330 K HA -0.190 4.130 4.320 0.000 0.000 0.206 330 K C 1.166 177.768 176.600 0.003 0.000 1.050 330 K CA 1.506 57.794 56.287 0.003 0.000 0.935 330 K CB -0.608 31.894 32.500 0.002 0.000 0.715 330 K HN 0.348 nan 8.250 nan 0.000 0.439 331 D N 0.895 121.298 120.400 0.005 0.000 2.344 331 D HA -0.028 4.612 4.640 0.000 0.000 0.242 331 D C -0.534 175.770 176.300 0.007 0.000 1.159 331 D CA -0.091 53.913 54.000 0.005 0.000 0.859 331 D CB -0.091 40.713 40.800 0.006 0.000 0.925 331 D HN -0.141 nan 8.370 nan 0.000 0.510 332 L N 0.942 122.170 121.223 0.007 0.000 2.462 332 L HA 0.201 4.541 4.340 0.000 0.000 0.283 332 L C 0.247 177.121 176.870 0.007 0.000 1.166 332 L CA 0.157 55.003 54.840 0.009 0.000 0.964 332 L CB -0.240 41.825 42.059 0.010 0.000 1.294 332 L HN -0.153 nan 8.230 nan 0.000 0.449 333 S N 2.866 118.571 115.700 0.008 0.000 2.606 333 S HA 0.446 4.916 4.470 0.000 0.000 0.257 333 S C 1.285 175.889 174.600 0.008 0.000 1.327 333 S CA 0.091 58.295 58.200 0.007 0.000 0.984 333 S CB 1.046 64.250 63.200 0.006 0.000 0.941 333 S HN 0.777 nan 8.310 nan 0.000 0.576 334 A N 1.040 123.864 122.820 0.006 0.000 2.275 334 A HA 0.234 4.554 4.320 0.000 0.000 0.212 334 A C 1.102 178.692 177.584 0.009 0.000 1.201 334 A CA 0.183 52.224 52.037 0.007 0.000 0.843 334 A CB -0.163 18.840 19.000 0.004 0.000 0.873 334 A HN 0.701 nan 8.150 nan 0.000 0.492 335 Q N -0.259 119.547 119.800 0.009 0.000 2.171 335 Q HA 0.126 4.466 4.340 0.000 0.000 0.218 335 Q C -0.269 175.739 176.000 0.013 0.000 0.822 335 Q CA 0.128 55.937 55.803 0.010 0.000 0.987 335 Q CB 0.606 29.347 28.738 0.006 0.000 1.144 335 Q HN 0.369 nan 8.270 nan 0.000 0.494 336 D N -0.024 120.385 120.400 0.016 0.000 2.325 336 D HA 0.080 4.720 4.640 0.000 0.000 0.225 336 D C -0.276 176.040 176.300 0.028 0.000 1.096 336 D CA 0.243 54.255 54.000 0.020 0.000 0.844 336 D CB 0.355 41.167 40.800 0.019 0.000 0.925 336 D HN 0.239 nan 8.370 nan 0.000 0.513 337 L N 0.381 121.620 121.223 0.028 0.000 2.307 337 L HA 0.499 4.839 4.340 0.000 0.000 0.282 337 L C 1.357 178.250 176.870 0.039 0.000 1.051 337 L CA -0.897 53.965 54.840 0.037 0.000 0.804 337 L CB 1.633 43.711 42.059 0.032 0.000 1.197 337 L HN -0.082 nan 8.230 nan 0.000 0.431 338 G N 0.985 109.816 108.800 0.051 0.000 2.516 338 G HA2 0.286 4.246 3.960 0.000 0.000 0.276 338 G HA3 0.286 4.246 3.960 0.000 0.000 0.276 338 G C -1.347 173.583 174.900 0.050 0.000 1.390 338 G CA -0.064 45.065 45.100 0.049 0.000 1.050 338 G HN 0.652 nan 8.290 nan 0.000 0.519 339 D N -1.555 118.875 120.400 0.050 0.000 2.763 339 D HA 0.551 5.191 4.640 0.000 0.000 0.235 339 D C -0.555 175.777 176.300 0.053 0.000 1.334 339 D CA -0.120 53.909 54.000 0.049 0.000 0.950 339 D CB 1.459 42.284 40.800 0.040 0.000 1.433 339 D HN 0.558 nan 8.370 nan 0.000 0.580 340 A N 1.968 124.823 122.820 0.060 0.000 2.356 340 A HA 0.642 4.962 4.320 0.000 0.000 0.310 340 A C 1.050 178.667 177.584 0.055 0.000 1.075 340 A CA -0.431 51.642 52.037 0.060 0.000 0.746 340 A CB 1.590 20.635 19.000 0.075 0.000 1.221 340 A HN 0.588 nan 8.150 nan 0.000 0.443 341 G N 0.504 109.333 108.800 0.048 0.000 2.990 341 G HA2 0.395 4.355 3.960 0.000 0.000 0.206 341 G HA3 0.395 4.355 3.960 0.000 0.000 0.206 341 G C 0.063 174.988 174.900 0.042 0.000 1.169 341 G CA 0.665 45.789 45.100 0.040 0.000 0.819 341 G HN 0.896 nan 8.290 nan 0.000 0.517 342 L N -0.402 120.855 121.223 0.056 0.000 2.830 342 L HA 0.328 4.668 4.340 0.000 0.000 0.259 342 L C -1.768 175.157 176.870 0.091 0.000 0.926 342 L CA -0.696 54.179 54.840 0.060 0.000 0.993 342 L CB 1.929 44.018 42.059 0.049 0.000 1.589 342 L HN -0.173 nan 8.230 nan 0.000 0.460 343 V N 3.438 123.408 119.914 0.092 0.000 2.409 343 V HA 0.558 4.678 4.120 0.000 0.000 0.290 343 V C -0.509 175.652 176.094 0.111 0.000 1.017 343 V CA -0.426 61.954 62.300 0.134 0.000 0.841 343 V CB 1.600 33.510 31.823 0.144 0.000 1.003 343 V HN 0.727 nan 8.190 nan 0.000 0.426 344 E N 3.007 123.294 120.200 0.145 0.000 2.314 344 E HA 0.436 4.786 4.350 0.000 0.000 0.272 344 E C -1.126 175.563 176.600 0.149 0.000 0.884 344 E CA -0.692 55.764 56.400 0.093 0.000 0.753 344 E CB 2.503 32.210 29.700 0.012 0.000 1.213 344 E HN 0.741 nan 8.360 nan 0.000 0.432 345 E N 3.947 124.205 120.200 0.096 0.000 2.089 345 E HA 0.225 4.575 4.350 0.000 0.000 0.284 345 E C -0.787 175.844 176.600 0.052 0.000 1.023 345 E CA -0.265 56.206 56.400 0.119 0.000 0.819 345 E CB 0.701 30.450 29.700 0.082 0.000 1.076 345 E HN 0.326 nan 8.360 nan 0.000 0.396 346 R N 3.365 123.907 120.500 0.071 0.000 2.832 346 R HA 0.398 4.738 4.340 0.000 0.000 0.271 346 R C -0.478 175.865 176.300 0.071 0.000 0.996 346 R CA -0.932 55.137 56.100 -0.052 0.000 0.977 346 R CB 1.736 31.791 30.300 -0.409 0.000 1.168 346 R HN 0.278 nan 8.270 nan 0.000 0.482 347 K N 1.850 122.264 120.400 0.025 0.000 2.253 347 K HA 0.336 4.657 4.320 0.000 0.000 0.277 347 K C -0.942 175.689 176.600 0.052 0.000 1.053 347 K CA -0.437 55.883 56.287 0.054 0.000 0.892 347 K CB 0.909 33.426 32.500 0.029 0.000 1.102 347 K HN 0.255 nan 8.250 nan 0.000 0.469 348 I N 2.275 122.912 120.570 0.112 0.000 2.439 348 I HA 0.031 4.202 4.170 0.000 0.000 0.283 348 I C 0.050 176.219 176.117 0.087 0.000 1.023 348 I CA 0.449 61.818 61.300 0.115 0.000 1.100 348 I CB 1.664 39.814 38.000 0.250 0.000 1.238 348 I HN 0.722 nan 8.210 nan 0.000 0.445 349 S N 4.640 120.371 115.700 0.052 0.000 3.748 349 S HA -0.142 4.328 4.470 0.000 0.000 0.329 349 S C 1.093 175.710 174.600 0.030 0.000 1.104 349 S CA 1.570 59.791 58.200 0.035 0.000 0.954 349 S CB -1.421 61.799 63.200 0.033 0.000 0.910 349 S HN 2.035 nan 8.310 nan 0.000 0.494 350 G N 0.335 109.153 108.800 0.030 0.000 3.586 350 G HA2 -0.272 3.688 3.960 0.000 0.000 0.212 350 G HA3 -0.272 3.688 3.960 0.000 0.000 0.212 350 G C -0.311 174.608 174.900 0.032 0.000 1.411 350 G CA 0.266 45.381 45.100 0.025 0.000 0.898 350 G HN 0.794 nan 8.290 nan 0.000 0.575 351 D N 1.848 122.270 120.400 0.037 0.000 2.423 351 D HA 0.477 5.117 4.640 0.000 0.000 0.238 351 D C 0.794 177.134 176.300 0.068 0.000 1.142 351 D CA 0.960 54.986 54.000 0.042 0.000 0.884 351 D CB 1.321 42.141 40.800 0.033 0.000 1.199 351 D HN 0.784 nan 8.370 nan 0.000 0.438 352 S N 1.170 116.911 115.700 0.068 0.000 2.438 352 S HA 0.673 5.143 4.470 0.000 0.000 0.316 352 S C -0.146 174.523 174.600 0.115 0.000 1.084 352 S CA -0.899 57.358 58.200 0.096 0.000 1.107 352 S CB 0.863 64.105 63.200 0.069 0.000 0.981 352 S HN 0.350 nan 8.310 nan 0.000 0.466 353 M N 2.618 122.334 119.600 0.193 0.000 2.716 353 M HA 0.538 5.018 4.480 0.000 0.000 0.307 353 M C -0.912 175.552 176.300 0.273 0.000 1.223 353 M CA -0.758 54.636 55.300 0.157 0.000 0.871 353 M CB 2.100 34.705 32.600 0.008 0.000 1.739 353 M HN 0.571 nan 8.290 nan 0.000 0.475 354 I N 2.208 122.884 120.570 0.177 0.000 2.307 354 I HA 0.247 4.417 4.170 0.000 0.000 0.287 354 I C -1.156 175.094 176.117 0.222 0.000 1.054 354 I CA -0.316 61.139 61.300 0.259 0.000 1.218 354 I CB 0.071 38.236 38.000 0.276 0.000 1.398 354 I HN 0.376 nan 8.210 nan 0.000 0.475 355 F N 5.638 125.629 119.950 0.068 0.000 2.467 355 F HA 0.185 4.712 4.527 0.000 0.000 0.362 355 F C 0.726 176.566 175.800 0.066 0.000 1.090 355 F CA -0.397 57.632 58.000 0.047 0.000 1.202 355 F CB 0.847 39.865 39.000 0.031 0.000 1.113 355 F HN 0.073 nan 8.300 nan 0.000 0.541 356 V N 4.335 124.346 119.914 0.161 0.000 2.435 356 V HA 0.142 4.262 4.120 0.000 0.000 0.263 356 V C 0.219 176.369 176.094 0.092 0.000 1.087 356 V CA -0.517 61.858 62.300 0.126 0.000 1.253 356 V CB -0.820 31.036 31.823 0.055 0.000 1.462 356 V HN 0.759 nan 8.190 nan 0.000 0.547 357 E N 0.852 121.128 120.200 0.127 0.000 2.790 357 E HA 0.420 4.770 4.350 0.000 0.000 0.256 357 E C -0.282 176.359 176.600 0.069 0.000 1.246 357 E CA -0.804 55.657 56.400 0.101 0.000 1.041 357 E CB 0.554 30.340 29.700 0.143 0.000 1.272 357 E HN 0.339 nan 8.360 nan 0.000 0.603 358 E N -1.016 119.217 120.200 0.055 0.000 2.238 358 E HA -0.222 4.128 4.350 0.000 0.000 0.219 358 E C -0.626 175.997 176.600 0.038 0.000 1.275 358 E CA 0.065 56.489 56.400 0.041 0.000 0.714 358 E CB -1.885 27.838 29.700 0.039 0.000 1.154 358 E HN 0.353 nan 8.360 nan 0.000 0.363 359 C N 0.528 119.849 119.300 0.034 0.000 2.639 359 C HA 0.111 4.571 4.460 0.000 0.000 0.360 359 C C 2.019 177.031 174.990 0.037 0.000 1.351 359 C CA -0.594 58.445 59.018 0.035 0.000 2.408 359 C CB 0.834 28.590 27.740 0.026 0.000 2.517 359 C HN 0.434 nan 8.230 nan 0.000 0.696 360 K N 0.338 120.771 120.400 0.054 0.000 2.056 360 K HA 0.027 4.347 4.320 0.000 0.000 0.205 360 K C 0.484 177.150 176.600 0.111 0.000 1.035 360 K CA 1.351 57.683 56.287 0.074 0.000 0.955 360 K CB -0.384 32.163 32.500 0.078 0.000 0.769 360 K HN 0.692 nan 8.250 nan 0.000 0.447 361 H N 1.582 120.657 119.070 0.007 0.000 2.418 361 H HA 0.265 4.821 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 -2.203 53.847 56.048 0.004 0.000 1.419 361 H CB 0.462 30.227 29.762 0.004 0.000 1.463 361 H HN -0.066 nan 8.280 nan 0.000 0.515 362 P HA 0.126 nan 4.420 nan 0.000 0.276 362 P C 0.176 177.408 177.300 -0.113 0.000 1.243 362 P CA -0.457 62.596 63.100 -0.078 0.000 0.768 362 P CB 1.108 32.767 31.700 -0.070 0.000 0.856 363 K N 1.073 121.444 120.400 -0.048 0.000 2.387 363 K HA 0.473 4.794 4.320 0.000 0.000 0.203 363 K C 0.237 176.816 176.600 -0.034 0.000 1.030 363 K CA -0.138 56.127 56.287 -0.038 0.000 1.099 363 K CB 0.674 33.176 32.500 0.003 0.000 0.863 363 K HN 0.495 nan 8.250 nan 0.000 0.529 364 A N 0.124 122.921 122.820 -0.040 0.000 2.498 364 A HA 0.768 5.088 4.320 0.000 0.000 0.298 364 A C -1.097 176.459 177.584 -0.045 0.000 1.075 364 A CA -0.577 51.434 52.037 -0.042 0.000 0.714 364 A CB 1.773 20.746 19.000 -0.045 0.000 1.299 364 A HN -0.116 nan 8.150 nan 0.000 0.407 365 V N 0.258 120.145 119.914 -0.044 0.000 3.087 365 V HA 0.678 4.798 4.120 0.000 0.000 0.306 365 V C -0.385 175.684 176.094 -0.042 0.000 1.187 365 V CA -0.528 61.747 62.300 -0.041 0.000 0.999 365 V CB 2.518 34.319 31.823 -0.038 0.000 1.049 365 V HN 0.959 nan 8.190 nan 0.000 0.431 366 T N 4.721 119.251 114.554 -0.040 0.000 2.807 366 T HA 0.519 4.869 4.350 0.000 0.000 0.279 366 T C -0.419 174.264 174.700 -0.029 0.000 0.993 366 T CA -0.453 61.620 62.100 -0.045 0.000 0.970 366 T CB 1.120 69.948 68.868 -0.067 0.000 0.950 366 T HN 0.381 nan 8.240 nan 0.000 0.441 367 M N 3.848 123.432 119.600 -0.028 0.000 2.063 367 M HA 0.314 4.794 4.480 0.000 0.000 0.348 367 M C -0.724 175.566 176.300 -0.017 0.000 1.180 367 M CA -0.895 54.395 55.300 -0.016 0.000 1.059 367 M CB 0.647 33.238 32.600 -0.015 0.000 1.544 367 M HN 0.371 nan 8.290 nan 0.000 0.447 368 L N 6.525 127.746 121.223 -0.004 0.000 2.295 368 L HA 0.439 4.779 4.340 0.000 0.000 0.288 368 L C -0.484 176.391 176.870 0.008 0.000 1.079 368 L CA 0.218 55.059 54.840 0.002 0.000 0.830 368 L CB -0.011 42.067 42.059 0.031 0.000 1.200 368 L HN 0.503 nan 8.230 nan 0.000 0.438 369 I N 5.697 126.268 120.570 0.001 0.000 2.440 369 I HA 0.480 4.650 4.170 0.000 0.000 0.294 369 I C 0.100 176.222 176.117 0.008 0.000 0.995 369 I CA -0.674 60.628 61.300 0.004 0.000 1.306 369 I CB 0.839 38.838 38.000 -0.001 0.000 1.407 369 I HN 0.550 nan 8.210 nan 0.000 0.501 370 R N 3.678 124.185 120.500 0.011 0.000 2.740 370 R HA 0.822 5.162 4.340 0.000 0.000 0.273 370 R C -0.747 175.559 176.300 0.010 0.000 0.998 370 R CA -1.062 55.045 56.100 0.012 0.000 0.900 370 R CB 2.509 32.821 30.300 0.020 0.000 1.223 370 R HN 0.876 nan 8.270 nan 0.000 0.466 371 G N -0.446 108.359 108.800 0.008 0.000 2.547 371 G HA2 0.251 4.211 3.960 0.000 0.000 0.291 371 G HA3 0.251 4.211 3.960 0.000 0.000 0.291 371 G C 0.517 175.420 174.900 0.006 0.000 1.471 371 G CA -0.206 44.898 45.100 0.008 0.000 0.798 371 G HN 0.507 nan 8.290 nan 0.000 0.504 372 T N -1.838 112.720 114.554 0.007 0.000 2.595 372 T HA 0.008 4.358 4.350 0.000 0.000 0.264 372 T C 1.706 176.408 174.700 0.002 0.000 1.058 372 T CA 2.419 64.523 62.100 0.006 0.000 1.166 372 T CB -0.790 68.083 68.868 0.008 0.000 0.863 372 T HN 1.413 nan 8.240 nan 0.000 0.415 373 T N -1.052 113.505 114.554 0.005 0.000 2.893 373 T HA 0.501 4.851 4.350 0.000 0.000 0.279 373 T C 1.001 175.685 174.700 -0.027 0.000 0.991 373 T CA -0.246 61.852 62.100 -0.003 0.000 0.950 373 T CB 1.817 70.697 68.868 0.019 0.000 1.223 373 T HN 0.173 nan 8.240 nan 0.000 0.585 374 E N -0.555 119.596 120.200 -0.081 0.000 2.076 374 E HA -0.013 4.337 4.350 0.000 0.000 0.190 374 E C 1.825 178.322 176.600 -0.171 0.000 0.979 374 E CA 1.490 57.791 56.400 -0.165 0.000 0.807 374 E CB -0.546 28.984 29.700 -0.283 0.000 0.761 374 E HN 0.854 nan 8.360 nan 0.000 0.454 375 H N -1.145 117.927 119.070 0.003 0.000 2.502 375 H HA 0.072 4.628 4.556 0.000 0.000 0.283 375 H C 1.898 177.228 175.328 0.003 0.000 1.015 375 H CA 0.796 56.845 56.048 0.003 0.000 1.298 375 H CB 0.413 30.176 29.762 0.003 0.000 1.411 375 H HN -0.007 nan 8.280 nan 0.000 0.556 376 V N 0.691 120.664 119.914 0.098 0.000 2.295 376 V HA -0.234 3.886 4.120 0.000 0.000 0.246 376 V C 2.236 178.351 176.094 0.035 0.000 1.049 376 V CA 1.700 64.034 62.300 0.056 0.000 1.024 376 V CB -0.341 31.505 31.823 0.038 0.000 0.648 376 V HN 0.429 nan 8.190 nan 0.000 0.447 377 I N -0.343 120.237 120.570 0.017 0.000 2.226 377 I HA -0.242 3.928 4.170 0.000 0.000 0.245 377 I C 2.606 178.730 176.117 0.011 0.000 1.100 377 I CA 1.705 63.008 61.300 0.005 0.000 1.374 377 I CB -0.311 37.682 38.000 -0.012 0.000 1.057 377 I HN 0.392 nan 8.210 nan 0.000 0.413 378 E N 0.468 120.678 120.200 0.018 0.000 2.150 378 E HA -0.267 4.083 4.350 0.000 0.000 0.193 378 E C 1.903 178.525 176.600 0.037 0.000 0.985 378 E CA 1.048 57.464 56.400 0.027 0.000 0.814 378 E CB 0.214 29.942 29.700 0.048 0.000 0.752 378 E HN 0.327 nan 8.360 nan 0.000 0.466 379 E N -0.259 119.968 120.200 0.045 0.000 2.170 379 E HA -0.057 4.293 4.350 0.000 0.000 0.191 379 E C 1.841 178.455 176.600 0.024 0.000 0.981 379 E CA 0.373 56.794 56.400 0.035 0.000 0.830 379 E CB 0.099 29.823 29.700 0.039 0.000 0.775 379 E HN 0.012 nan 8.360 nan 0.000 0.470 380 V N 0.745 120.672 119.914 0.022 0.000 2.490 380 V HA -0.240 3.880 4.120 0.000 0.000 0.250 380 V C 2.238 178.339 176.094 0.011 0.000 1.061 380 V CA 1.743 64.053 62.300 0.015 0.000 1.064 380 V CB -0.672 31.159 31.823 0.013 0.000 0.670 380 V HN 0.463 nan 8.190 nan 0.000 0.461 381 A N -0.354 122.473 122.820 0.011 0.000 1.897 381 A HA -0.168 4.152 4.320 0.000 0.000 0.215 381 A C 2.354 179.942 177.584 0.006 0.000 1.181 381 A CA 1.388 53.428 52.037 0.006 0.000 0.620 381 A CB -0.456 18.546 19.000 0.004 0.000 0.821 381 A HN 0.458 nan 8.150 nan 0.000 0.443 382 R N -0.543 119.964 120.500 0.011 0.000 2.152 382 R HA -0.061 4.279 4.340 0.000 0.000 0.232 382 R C 2.316 178.621 176.300 0.008 0.000 1.117 382 R CA 0.976 57.082 56.100 0.010 0.000 0.981 382 R CB -0.326 29.982 30.300 0.013 0.000 0.870 382 R HN 0.536 nan 8.270 nan 0.000 0.451 383 A N 0.363 123.190 122.820 0.010 0.000 1.897 383 A HA -0.068 4.252 4.320 0.000 0.000 0.215 383 A C 2.225 179.813 177.584 0.007 0.000 1.181 383 A CA 0.962 53.005 52.037 0.010 0.000 0.620 383 A CB -0.263 18.745 19.000 0.013 0.000 0.821 383 A HN 0.105 nan 8.150 nan 0.000 0.443 384 V N 0.649 120.566 119.914 0.005 0.000 2.515 384 V HA -0.207 3.913 4.120 0.000 0.000 0.250 384 V C 1.982 178.076 176.094 0.000 0.000 1.058 384 V CA 2.118 64.420 62.300 0.002 0.000 1.064 384 V CB -0.690 31.133 31.823 0.000 0.000 0.675 384 V HN 0.485 nan 8.190 nan 0.000 0.461 385 D N -0.086 120.314 120.400 0.000 0.000 2.178 385 D HA -0.129 4.511 4.640 0.000 0.000 0.202 385 D C 1.813 178.113 176.300 -0.001 0.000 0.974 385 D CA 1.120 55.119 54.000 -0.002 0.000 0.841 385 D CB -0.047 40.752 40.800 -0.001 0.000 0.953 385 D HN 0.432 nan 8.370 nan 0.000 0.478 386 D N 0.448 120.848 120.400 0.001 0.000 2.137 386 D HA -0.016 4.624 4.640 0.000 0.000 0.202 386 D C 2.055 178.356 176.300 0.002 0.000 0.970 386 D CA 0.861 54.862 54.000 0.002 0.000 0.837 386 D CB -0.235 40.567 40.800 0.003 0.000 0.981 386 D HN 0.057 nan 8.370 nan 0.000 0.475 387 A N 0.956 123.778 122.820 0.003 0.000 1.849 387 A HA -0.198 4.122 4.320 0.000 0.000 0.217 387 A C 2.489 180.073 177.584 0.000 0.000 1.202 387 A CA 1.886 53.925 52.037 0.003 0.000 0.629 387 A CB -1.069 17.933 19.000 0.004 0.000 0.834 387 A HN 0.134 nan 8.150 nan 0.000 0.447 388 V N 0.077 119.989 119.914 -0.002 0.000 2.527 388 V HA -0.249 3.871 4.120 0.000 0.000 0.255 388 V C 2.587 178.678 176.094 -0.004 0.000 1.081 388 V CA 1.982 64.279 62.300 -0.005 0.000 1.092 388 V CB -1.539 30.280 31.823 -0.007 0.000 0.673 388 V HN 0.689 nan 8.190 nan 0.000 0.470 389 G N 0.418 109.216 108.800 -0.003 0.000 2.425 389 G HA2 -0.150 3.810 3.960 0.000 0.000 0.213 389 G HA3 -0.150 3.810 3.960 0.000 0.000 0.213 389 G C 1.662 176.560 174.900 -0.003 0.000 1.201 389 G CA 1.166 46.264 45.100 -0.003 0.000 0.799 389 G HN 0.541 nan 8.290 nan 0.000 0.534 390 V N -0.862 119.052 119.914 -0.001 0.000 2.515 390 V HA -0.079 4.041 4.120 0.000 0.000 0.250 390 V C 2.662 178.756 176.094 -0.000 0.000 1.058 390 V CA 1.363 63.663 62.300 -0.000 0.000 1.064 390 V CB -0.762 31.062 31.823 0.001 0.000 0.675 390 V HN 0.126 nan 8.190 nan 0.000 0.461 391 V N 2.032 121.945 119.914 -0.001 0.000 2.270 391 V HA -0.080 4.040 4.120 0.000 0.000 0.245 391 V C 2.954 179.046 176.094 -0.003 0.000 1.043 391 V CA 2.418 64.718 62.300 -0.001 0.000 1.014 391 V CB -1.462 30.359 31.823 -0.002 0.000 0.645 391 V HN 0.608 nan 8.190 nan 0.000 0.447 392 G N -1.580 107.218 108.800 -0.004 0.000 2.475 392 G HA2 -0.318 3.642 3.960 0.000 0.000 0.220 392 G HA3 -0.318 3.642 3.960 0.000 0.000 0.220 392 G C 1.693 176.591 174.900 -0.003 0.000 1.125 392 G CA 1.420 46.517 45.100 -0.005 0.000 0.755 392 G HN 0.541 nan 8.290 nan 0.000 0.565 393 C N 0.276 119.574 119.300 -0.003 0.000 2.450 393 C HA 0.076 4.536 4.460 0.000 0.000 0.279 393 C C 3.182 178.172 174.990 -0.001 0.000 1.335 393 C CA 1.458 60.474 59.018 -0.002 0.000 1.749 393 C CB -0.763 26.976 27.740 -0.002 0.000 1.963 393 C HN 0.477 nan 8.230 nan 0.000 0.501 394 T N 1.173 115.727 114.554 -0.001 0.000 2.735 394 T HA -0.010 4.340 4.350 0.000 0.000 0.256 394 T C 1.697 176.397 174.700 -0.000 0.000 1.042 394 T CA 1.112 63.212 62.100 0.000 0.000 1.147 394 T CB -0.261 68.607 68.868 0.001 0.000 0.865 394 T HN 0.398 nan 8.240 nan 0.000 0.421 395 I N 1.330 121.900 120.570 -0.001 0.000 2.091 395 I HA -0.310 3.860 4.170 0.000 0.000 0.240 395 I C 2.782 178.898 176.117 -0.001 0.000 1.046 395 I CA 1.734 63.034 61.300 -0.001 0.000 1.306 395 I CB -0.459 37.540 38.000 -0.002 0.000 1.018 395 I HN 0.361 nan 8.210 nan 0.000 0.404 396 E N 0.428 120.628 120.200 -0.001 0.000 2.017 396 E HA -0.235 4.115 4.350 0.000 0.000 0.193 396 E C 1.863 178.462 176.600 -0.001 0.000 0.997 396 E CA 1.691 58.090 56.400 -0.001 0.000 0.804 396 E CB -0.079 29.620 29.700 -0.002 0.000 0.757 396 E HN 0.473 nan 8.360 nan 0.000 0.448 397 D N -1.564 118.835 120.400 -0.001 0.000 2.085 397 D HA -0.059 4.581 4.640 0.000 0.000 0.199 397 D C 1.513 177.812 176.300 -0.000 0.000 0.981 397 D CA 1.688 55.688 54.000 -0.001 0.000 0.834 397 D CB -0.148 40.652 40.800 -0.001 0.000 0.992 397 D HN 0.392 nan 8.370 nan 0.000 0.457 398 G N -0.084 108.717 108.800 0.000 0.000 2.234 398 G HA2 -0.274 3.686 3.960 0.000 0.000 0.235 398 G HA3 -0.274 3.686 3.960 0.000 0.000 0.235 398 G C 0.460 175.361 174.900 0.001 0.000 0.997 398 G CA 0.124 45.225 45.100 0.001 0.000 0.623 398 G HN 0.341 nan 8.290 nan 0.000 0.514 399 R N 0.357 120.857 120.500 0.001 0.000 2.664 399 R HA 0.828 5.168 4.340 0.000 0.000 0.286 399 R C 0.342 176.643 176.300 0.002 0.000 0.967 399 R CA -0.280 55.821 56.100 0.001 0.000 0.933 399 R CB 1.750 32.051 30.300 0.000 0.000 1.146 399 R HN 0.638 nan 8.270 nan 0.000 0.468 400 I N -1.528 119.044 120.570 0.003 0.000 3.191 400 I HA 0.747 4.917 4.170 0.000 0.000 0.313 400 I C -0.815 175.305 176.117 0.005 0.000 1.193 400 I CA -1.128 60.174 61.300 0.004 0.000 0.968 400 I CB 2.240 40.242 38.000 0.005 0.000 1.262 400 I HN 0.502 nan 8.210 nan 0.000 0.456 401 V N 0.209 120.126 119.914 0.006 0.000 3.119 401 V HA 0.769 4.889 4.120 0.000 0.000 0.311 401 V C -0.288 175.813 176.094 0.012 0.000 1.259 401 V CA -0.216 62.090 62.300 0.010 0.000 1.067 401 V CB 1.407 33.234 31.823 0.008 0.000 1.123 401 V HN 1.020 nan 8.190 nan 0.000 0.463 402 S N 0.481 116.192 115.700 0.017 0.000 2.429 402 S HA 0.770 5.240 4.470 0.000 0.000 0.302 402 S C 0.419 175.027 174.600 0.015 0.000 1.115 402 S CA 0.054 58.266 58.200 0.019 0.000 1.095 402 S CB 0.563 63.782 63.200 0.030 0.000 0.987 402 S HN 1.745 nan 8.310 nan 0.000 0.474 403 G N 1.603 110.407 108.800 0.008 0.000 2.481 403 G HA2 0.459 4.419 3.960 0.000 0.000 0.251 403 G HA3 0.459 4.419 3.960 0.000 0.000 0.251 403 G C 1.083 175.979 174.900 -0.007 0.000 1.492 403 G CA -0.371 44.728 45.100 -0.002 0.000 1.060 403 G HN 2.083 nan 8.290 nan 0.000 0.553 404 G N -2.435 106.351 108.800 -0.024 0.000 2.155 404 G HA2 0.222 4.182 3.960 0.000 0.000 0.257 404 G HA3 0.222 4.182 3.960 0.000 0.000 0.257 404 G C 1.532 176.412 174.900 -0.033 0.000 0.983 404 G CA 1.133 46.210 45.100 -0.038 0.000 0.676 404 G HN 2.511 nan 8.290 nan 0.000 0.528 405 G N -1.349 107.433 108.800 -0.029 0.000 2.159 405 G HA2 -0.116 3.844 3.960 0.000 0.000 0.256 405 G HA3 -0.116 3.844 3.960 0.000 0.000 0.256 405 G C 1.372 176.254 174.900 -0.030 0.000 0.977 405 G CA 1.653 46.732 45.100 -0.035 0.000 0.652 405 G HN 1.758 nan 8.290 nan 0.000 0.531 406 S N 0.125 115.824 115.700 -0.001 0.000 2.363 406 S HA -0.127 4.343 4.470 0.000 0.000 0.218 406 S C 2.680 177.269 174.600 -0.018 0.000 1.035 406 S CA 2.885 61.108 58.200 0.040 0.000 1.043 406 S CB -0.548 62.699 63.200 0.077 0.000 0.986 406 S HN 1.393 nan 8.310 nan 0.000 0.423 407 T N -0.974 113.577 114.554 -0.004 0.000 3.228 407 T HA 0.141 4.491 4.350 0.000 0.000 0.261 407 T C 1.091 175.758 174.700 -0.056 0.000 1.171 407 T CA 0.927 63.015 62.100 -0.020 0.000 1.056 407 T CB -0.252 68.616 68.868 0.001 0.000 0.938 407 T HN 0.354 nan 8.240 nan 0.000 0.539 408 E N 0.350 120.504 120.200 -0.076 0.000 2.166 408 E HA 0.151 4.501 4.350 0.000 0.000 0.192 408 E C 2.127 178.656 176.600 -0.118 0.000 0.967 408 E CA 0.193 56.546 56.400 -0.078 0.000 0.840 408 E CB -0.012 29.648 29.700 -0.067 0.000 0.795 408 E HN 0.329 nan 8.360 nan 0.000 0.470 409 V N 0.938 120.735 119.914 -0.195 0.000 2.379 409 V HA -0.189 3.931 4.120 0.000 0.000 0.245 409 V C 2.218 178.075 176.094 -0.395 0.000 1.044 409 V CA 1.765 63.893 62.300 -0.286 0.000 1.036 409 V CB -0.255 31.352 31.823 -0.361 0.000 0.664 409 V HN 0.215 nan 8.190 nan 0.000 0.453 410 E N 0.832 120.730 120.200 -0.503 0.000 2.005 410 E HA -0.258 4.093 4.350 0.000 0.000 0.198 410 E C 1.983 178.518 176.600 -0.108 0.000 1.010 410 E CA 1.678 57.915 56.400 -0.271 0.000 0.825 410 E CB -0.677 28.978 29.700 -0.075 0.000 0.769 410 E HN 0.287 nan 8.360 nan 0.000 0.456 411 L N 0.690 121.868 121.223 -0.075 0.000 2.357 411 L HA -0.152 4.188 4.340 0.000 0.000 0.220 411 L C 2.203 179.065 176.870 -0.014 0.000 1.123 411 L CA 2.304 57.125 54.840 -0.032 0.000 0.782 411 L CB -0.913 41.135 42.059 -0.019 0.000 0.910 411 L HN 0.377 nan 8.230 nan 0.000 0.442 412 S N -1.217 114.463 115.700 -0.034 0.000 2.441 412 S HA -0.112 4.358 4.470 0.000 0.000 0.224 412 S C 1.962 176.567 174.600 0.009 0.000 1.043 412 S CA 0.575 58.774 58.200 -0.001 0.000 0.948 412 S CB -0.280 62.906 63.200 -0.024 0.000 0.810 412 S HN 0.586 nan 8.310 nan 0.000 0.504 413 M N 0.557 120.148 119.600 -0.015 0.000 2.236 413 M HA 0.272 4.752 4.480 0.000 0.000 0.266 413 M C 1.948 178.268 176.300 0.033 0.000 1.070 413 M CA 1.023 56.330 55.300 0.011 0.000 1.137 413 M CB -0.409 32.195 32.600 0.008 0.000 1.378 413 M HN -0.070 nan 8.290 nan 0.000 0.426 414 K N 1.581 121.996 120.400 0.026 0.000 2.032 414 K HA -0.008 4.312 4.320 0.000 0.000 0.209 414 K C 2.146 178.784 176.600 0.064 0.000 1.048 414 K CA 1.431 57.742 56.287 0.040 0.000 0.927 414 K CB -0.952 31.561 32.500 0.022 0.000 0.712 414 K HN 0.494 nan 8.250 nan 0.000 0.441 415 L N 0.464 121.714 121.223 0.046 0.000 2.187 415 L HA -0.157 4.183 4.340 0.000 0.000 0.213 415 L C 2.723 179.675 176.870 0.136 0.000 1.100 415 L CA 0.983 55.864 54.840 0.069 0.000 0.765 415 L CB -0.220 41.868 42.059 0.049 0.000 0.904 415 L HN 0.215 nan 8.230 nan 0.000 0.437 416 R N 0.166 120.725 120.500 0.099 0.000 2.093 416 R HA -0.151 4.189 4.340 0.000 0.000 0.224 416 R C 2.243 178.593 176.300 0.083 0.000 1.101 416 R CA 1.331 57.486 56.100 0.090 0.000 0.979 416 R CB 0.100 30.437 30.300 0.061 0.000 0.877 416 R HN 0.559 nan 8.270 nan 0.000 0.441 417 E N -0.847 119.402 120.200 0.083 0.000 2.072 417 E HA -0.249 4.101 4.350 0.000 0.000 0.190 417 E C 1.766 178.409 176.600 0.073 0.000 0.982 417 E CA 0.904 57.342 56.400 0.064 0.000 0.803 417 E CB -0.783 28.950 29.700 0.055 0.000 0.755 417 E HN 0.455 nan 8.360 nan 0.000 0.453 418 Y N 1.902 122.202 120.300 -0.000 0.000 2.365 418 Y HA -0.180 4.370 4.550 0.000 0.000 0.287 418 Y C 2.251 178.148 175.900 -0.005 0.000 1.162 418 Y CA 1.329 59.424 58.100 -0.008 0.000 1.260 418 Y CB -0.198 38.250 38.460 -0.020 0.000 0.976 418 Y HN 0.180 nan 8.280 nan 0.000 0.548 419 A N 0.267 123.118 122.820 0.052 0.000 1.968 419 A HA -0.106 4.214 4.320 0.000 0.000 0.217 419 A C 2.029 179.566 177.584 -0.077 0.000 1.169 419 A CA 1.424 53.464 52.037 0.006 0.000 0.638 419 A CB -0.444 18.610 19.000 0.091 0.000 0.812 419 A HN 0.660 nan 8.150 nan 0.000 0.446 420 E N -0.298 119.862 120.200 -0.067 0.000 2.107 420 E HA -0.062 4.288 4.350 0.000 0.000 0.191 420 E C 1.694 178.230 176.600 -0.107 0.000 0.982 420 E CA 0.600 56.962 56.400 -0.063 0.000 0.809 420 E CB -0.355 29.325 29.700 -0.034 0.000 0.756 420 E HN 0.543 nan 8.360 nan 0.000 0.459 421 G N 1.718 110.415 108.800 -0.171 0.000 3.135 421 G HA2 0.033 3.993 3.960 0.000 0.000 0.208 421 G HA3 0.033 3.993 3.960 0.000 0.000 0.208 421 G C 0.382 175.140 174.900 -0.237 0.000 1.212 421 G CA 0.031 45.013 45.100 -0.196 0.000 0.928 421 G HN 0.064 nan 8.290 nan 0.000 0.500 422 I N 1.573 122.026 120.570 -0.195 0.000 2.410 422 I HA 0.222 4.392 4.170 0.000 0.000 0.286 422 I C -0.136 175.931 176.117 -0.082 0.000 1.009 422 I CA -0.695 60.513 61.300 -0.155 0.000 1.111 422 I CB 1.964 39.876 38.000 -0.148 0.000 1.262 422 I HN 0.049 nan 8.210 nan 0.000 0.443 423 S N 4.342 120.003 115.700 -0.064 0.000 2.525 423 S HA 0.908 5.378 4.470 0.000 0.000 0.278 423 S C 0.215 174.798 174.600 -0.029 0.000 1.234 423 S CA -0.188 57.988 58.200 -0.040 0.000 1.058 423 S CB 1.847 65.026 63.200 -0.035 0.000 0.983 423 S HN 1.213 nan 8.310 nan 0.000 0.495 424 G N 2.133 110.921 108.800 -0.020 0.000 2.462 424 G HA2 -0.106 3.854 3.960 0.000 0.000 0.685 424 G HA3 -0.106 3.854 3.960 0.000 0.000 0.685 424 G C 0.045 174.941 174.900 -0.006 0.000 1.295 424 G CA -0.433 44.660 45.100 -0.013 0.000 0.941 424 G HN 0.666 nan 8.290 nan 0.000 0.554 425 R N 0.641 121.140 120.500 -0.002 0.000 2.081 425 R HA -0.025 4.315 4.340 0.000 0.000 0.235 425 R C 2.603 178.908 176.300 0.008 0.000 1.131 425 R CA 2.131 58.233 56.100 0.004 0.000 0.960 425 R CB -0.389 29.915 30.300 0.006 0.000 0.856 425 R HN 0.825 nan 8.270 nan 0.000 0.436 426 E N 0.682 120.886 120.200 0.007 0.000 2.401 426 E HA -0.335 4.016 4.350 0.000 0.000 0.204 426 E C 1.762 178.383 176.600 0.036 0.000 1.036 426 E CA 1.267 57.678 56.400 0.017 0.000 0.856 426 E CB -0.246 29.464 29.700 0.016 0.000 0.770 426 E HN 0.455 nan 8.360 nan 0.000 0.527 427 Q N 0.974 120.787 119.800 0.023 0.000 2.046 427 Q HA -0.153 4.187 4.340 0.000 0.000 0.200 427 Q C 2.313 178.346 176.000 0.056 0.000 0.975 427 Q CA 1.439 57.260 55.803 0.028 0.000 0.836 427 Q CB -0.068 28.672 28.738 0.005 0.000 0.896 427 Q HN 0.474 nan 8.270 nan 0.000 0.428 428 L N 0.491 121.741 121.223 0.044 0.000 2.021 428 L HA -0.267 4.073 4.340 0.000 0.000 0.215 428 L C 2.649 179.573 176.870 0.091 0.000 1.074 428 L CA 1.299 56.172 54.840 0.055 0.000 0.760 428 L CB -0.885 41.194 42.059 0.032 0.000 0.889 428 L HN 0.285 nan 8.230 nan 0.000 0.433 429 A N -0.073 122.795 122.820 0.080 0.000 1.873 429 A HA -0.209 4.111 4.320 0.000 0.000 0.218 429 A C 2.354 180.121 177.584 0.305 0.000 1.193 429 A CA 2.363 54.477 52.037 0.128 0.000 0.629 429 A CB -1.082 17.941 19.000 0.039 0.000 0.826 429 A HN 0.202 nan 8.150 nan 0.000 0.447 430 V N -0.002 120.050 119.914 0.229 0.000 2.407 430 V HA -0.272 3.848 4.120 0.000 0.000 0.248 430 V C 2.663 178.898 176.094 0.235 0.000 1.055 430 V CA 2.264 64.708 62.300 0.241 0.000 1.049 430 V CB -0.853 31.089 31.823 0.198 0.000 0.662 430 V HN 0.526 nan 8.190 nan 0.000 0.455 431 R N 0.123 120.730 120.500 0.177 0.000 2.075 431 R HA -0.077 4.263 4.340 0.000 0.000 0.232 431 R C 2.458 178.856 176.300 0.164 0.000 1.126 431 R CA 1.381 57.569 56.100 0.145 0.000 0.963 431 R CB -0.593 29.765 30.300 0.096 0.000 0.858 431 R HN 0.523 nan 8.270 nan 0.000 0.435 432 A N 0.844 123.784 122.820 0.199 0.000 1.933 432 A HA -0.194 4.127 4.320 0.000 0.000 0.218 432 A C 1.970 179.677 177.584 0.206 0.000 1.175 432 A CA 1.116 53.276 52.037 0.205 0.000 0.628 432 A CB -0.635 18.520 19.000 0.258 0.000 0.814 432 A HN 0.382 nan 8.150 nan 0.000 0.444 433 F N 0.530 120.558 119.950 0.129 0.000 2.186 433 F HA -0.009 4.518 4.527 0.000 0.000 0.299 433 F C 2.475 178.237 175.800 -0.064 0.000 1.090 433 F CA 1.098 59.047 58.000 -0.084 0.000 1.307 433 F CB -0.056 38.882 39.000 -0.103 0.000 1.019 433 F HN 0.268 nan 8.300 nan 0.000 0.489 434 A N -0.023 122.986 122.820 0.314 0.000 1.873 434 A HA -0.173 4.147 4.320 0.000 0.000 0.215 434 A C 1.847 179.471 177.584 0.067 0.000 1.186 434 A CA 1.896 54.049 52.037 0.194 0.000 0.616 434 A CB -0.912 18.179 19.000 0.150 0.000 0.823 434 A HN 0.379 nan 8.150 nan 0.000 0.442 435 D N 0.176 120.606 120.400 0.049 0.000 2.178 435 D HA -0.017 4.623 4.640 0.000 0.000 0.201 435 D C 2.174 178.448 176.300 -0.043 0.000 0.980 435 D CA 1.273 55.277 54.000 0.007 0.000 0.842 435 D CB -0.390 40.423 40.800 0.022 0.000 0.948 435 D HN 0.416 nan 8.370 nan 0.000 0.472 436 A N 0.945 123.708 122.820 -0.094 0.000 1.873 436 A HA -0.174 4.146 4.320 0.000 0.000 0.218 436 A C 2.267 179.745 177.584 -0.176 0.000 1.193 436 A CA 1.099 53.026 52.037 -0.183 0.000 0.629 436 A CB -0.919 17.854 19.000 -0.379 0.000 0.826 436 A HN 0.271 nan 8.150 nan 0.000 0.447 437 L N -0.637 120.483 121.223 -0.171 0.000 2.353 437 L HA -0.156 4.184 4.340 0.000 0.000 0.220 437 L C 1.956 178.772 176.870 -0.090 0.000 1.133 437 L CA 1.059 55.822 54.840 -0.130 0.000 0.798 437 L CB -0.638 41.377 42.059 -0.074 0.000 0.922 437 L HN 0.484 nan 8.230 nan 0.000 0.445 438 E N -0.373 119.782 120.200 -0.075 0.000 2.512 438 E HA -0.098 4.252 4.350 0.000 0.000 0.195 438 E C 1.940 178.504 176.600 -0.060 0.000 1.083 438 E CA -0.024 56.340 56.400 -0.061 0.000 0.873 438 E CB 0.287 29.960 29.700 -0.046 0.000 0.897 438 E HN 0.249 nan 8.360 nan 0.000 0.514 439 V N 0.748 120.619 119.914 -0.072 0.000 2.719 439 V HA -0.160 3.960 4.120 0.000 0.000 0.252 439 V C 1.670 177.728 176.094 -0.060 0.000 1.065 439 V CA 0.810 63.071 62.300 -0.066 0.000 1.086 439 V CB -0.055 31.721 31.823 -0.078 0.000 0.700 439 V HN 0.275 nan 8.190 nan 0.000 0.467 440 I N 0.960 121.491 120.570 -0.064 0.000 2.233 440 I HA -0.017 4.153 4.170 0.000 0.000 0.243 440 I C 0.053 176.139 176.117 -0.052 0.000 1.093 440 I CA 1.323 62.589 61.300 -0.057 0.000 1.380 440 I CB -2.745 35.221 38.000 -0.057 0.000 1.067 440 I HN 0.334 nan 8.210 nan 0.000 0.413 441 P HA -0.132 nan 4.420 nan 0.000 0.217 441 P C 1.875 179.149 177.300 -0.043 0.000 1.150 441 P CA 1.461 64.534 63.100 -0.046 0.000 0.832 441 P CB -0.065 31.608 31.700 -0.045 0.000 0.787 442 R N -0.285 120.190 120.500 -0.042 0.000 2.070 442 R HA -0.115 4.225 4.340 0.000 0.000 0.233 442 R C 2.352 178.630 176.300 -0.036 0.000 1.137 442 R CA 2.435 58.514 56.100 -0.036 0.000 0.945 442 R CB -1.158 29.121 30.300 -0.035 0.000 0.845 442 R HN 0.224 nan 8.270 nan 0.000 0.430 443 T N -1.092 113.438 114.554 -0.040 0.000 2.951 443 T HA -0.035 4.315 4.350 0.000 0.000 0.268 443 T C 1.923 176.599 174.700 -0.040 0.000 1.073 443 T CA 0.945 63.022 62.100 -0.037 0.000 1.134 443 T CB -0.217 68.629 68.868 -0.038 0.000 0.884 443 T HN 0.202 nan 8.240 nan 0.000 0.479 444 L N 0.865 122.060 121.223 -0.047 0.000 2.046 444 L HA 0.026 4.366 4.340 0.000 0.000 0.208 444 L C 3.370 180.204 176.870 -0.060 0.000 1.077 444 L CA 1.294 56.099 54.840 -0.058 0.000 0.747 444 L CB -0.846 41.172 42.059 -0.067 0.000 0.896 444 L HN 0.406 nan 8.230 nan 0.000 0.432 445 A N -0.118 122.672 122.820 -0.051 0.000 1.877 445 A HA -0.233 4.087 4.320 0.000 0.000 0.216 445 A C 2.173 179.736 177.584 -0.035 0.000 1.186 445 A CA 1.700 53.711 52.037 -0.044 0.000 0.620 445 A CB -0.472 18.508 19.000 -0.034 0.000 0.822 445 A HN 0.417 nan 8.150 nan 0.000 0.443 446 E N -0.077 120.105 120.200 -0.030 0.000 2.033 446 E HA -0.225 4.125 4.350 0.000 0.000 0.199 446 E C 1.856 178.444 176.600 -0.021 0.000 1.011 446 E CA 1.486 57.873 56.400 -0.023 0.000 0.815 446 E CB -0.212 29.474 29.700 -0.023 0.000 0.755 446 E HN 0.587 nan 8.360 nan 0.000 0.451 447 N N 0.447 119.132 118.700 -0.024 0.000 2.223 447 N HA -0.135 4.605 4.740 0.000 0.000 0.185 447 N C 1.528 177.029 175.510 -0.015 0.000 1.016 447 N CA 1.183 54.222 53.050 -0.018 0.000 0.863 447 N CB -0.382 38.093 38.487 -0.021 0.000 0.983 447 N HN 0.142 nan 8.380 nan 0.000 0.429 448 A N -0.166 122.638 122.820 -0.026 0.000 2.015 448 A HA 0.240 4.560 4.320 0.000 0.000 0.219 448 A C 1.789 179.370 177.584 -0.005 0.000 1.163 448 A CA 1.727 53.752 52.037 -0.022 0.000 0.646 448 A CB -0.452 18.516 19.000 -0.052 0.000 0.806 448 A HN 0.404 nan 8.150 nan 0.000 0.448 449 G N -2.619 106.176 108.800 -0.009 0.000 2.218 449 G HA2 -0.155 3.805 3.960 0.000 0.000 0.216 449 G HA3 -0.155 3.805 3.960 0.000 0.000 0.216 449 G C 0.112 175.009 174.900 -0.005 0.000 0.994 449 G CA 0.073 45.171 45.100 -0.003 0.000 0.637 449 G HN 0.403 nan 8.290 nan 0.000 0.505 450 L N 1.194 122.410 121.223 -0.010 0.000 2.476 450 L HA 0.515 4.855 4.340 0.000 0.000 0.255 450 L C 0.773 177.637 176.870 -0.010 0.000 1.218 450 L CA -0.078 54.756 54.840 -0.010 0.000 0.819 450 L CB 0.347 42.397 42.059 -0.015 0.000 1.119 450 L HN 0.171 nan 8.230 nan 0.000 0.485 451 D N 0.126 120.521 120.400 -0.008 0.000 2.402 451 D HA 0.277 4.917 4.640 0.000 0.000 0.235 451 D C 0.867 177.161 176.300 -0.010 0.000 1.226 451 D CA 0.274 54.270 54.000 -0.007 0.000 0.918 451 D CB 1.142 41.940 40.800 -0.004 0.000 1.043 451 D HN 0.579 nan 8.370 nan 0.000 0.506 452 A N 4.744 127.557 122.820 -0.013 0.000 1.927 452 A HA -0.215 4.105 4.320 0.000 0.000 0.220 452 A C 2.186 179.763 177.584 -0.012 0.000 1.185 452 A CA 1.296 53.324 52.037 -0.016 0.000 0.639 452 A CB -0.567 18.422 19.000 -0.018 0.000 0.820 452 A HN 0.761 nan 8.150 nan 0.000 0.451 453 I N -1.122 119.443 120.570 -0.009 0.000 2.202 453 I HA -0.203 3.967 4.170 0.000 0.000 0.242 453 I C 2.546 178.660 176.117 -0.004 0.000 1.091 453 I CA 1.790 63.086 61.300 -0.007 0.000 1.368 453 I CB -0.583 37.414 38.000 -0.005 0.000 1.058 453 I HN 0.458 nan 8.210 nan 0.000 0.410 454 E N 2.179 122.377 120.200 -0.003 0.000 2.007 454 E HA -0.193 4.157 4.350 0.000 0.000 0.194 454 E C 2.212 178.812 176.600 0.001 0.000 0.999 454 E CA 1.565 57.965 56.400 -0.000 0.000 0.811 454 E CB -0.284 29.416 29.700 -0.000 0.000 0.762 454 E HN 0.307 nan 8.360 nan 0.000 0.450 455 I N 0.356 120.925 120.570 -0.002 0.000 2.229 455 I HA -0.302 3.868 4.170 0.000 0.000 0.250 455 I C 2.335 178.453 176.117 0.001 0.000 1.096 455 I CA 0.996 62.295 61.300 -0.002 0.000 1.358 455 I CB -0.466 37.528 38.000 -0.010 0.000 1.047 455 I HN 0.278 nan 8.210 nan 0.000 0.422 456 L N 0.224 121.446 121.223 -0.003 0.000 2.141 456 L HA -0.124 4.216 4.340 0.000 0.000 0.209 456 L C 2.334 179.209 176.870 0.007 0.000 1.094 456 L CA 1.439 56.277 54.840 -0.002 0.000 0.763 456 L CB -0.353 41.700 42.059 -0.009 0.000 0.908 456 L HN -0.023 nan 8.230 nan 0.000 0.437 457 V N -0.850 119.069 119.914 0.008 0.000 2.307 457 V HA -0.256 3.864 4.120 0.000 0.000 0.245 457 V C 2.476 178.583 176.094 0.022 0.000 1.045 457 V CA 1.569 63.878 62.300 0.014 0.000 1.024 457 V CB -0.730 31.099 31.823 0.010 0.000 0.651 457 V HN 0.392 nan 8.190 nan 0.000 0.449 458 K N 0.368 120.780 120.400 0.019 0.000 1.991 458 K HA -0.157 4.163 4.320 0.000 0.000 0.212 458 K C 2.067 178.692 176.600 0.042 0.000 1.049 458 K CA 1.747 58.048 56.287 0.023 0.000 0.932 458 K CB -0.652 31.857 32.500 0.016 0.000 0.717 458 K HN 0.370 nan 8.250 nan 0.000 0.441 459 V N 1.265 121.210 119.914 0.051 0.000 2.867 459 V HA -0.188 3.932 4.120 0.000 0.000 0.260 459 V C 2.186 178.377 176.094 0.162 0.000 1.099 459 V CA 1.453 63.814 62.300 0.102 0.000 1.122 459 V CB -0.604 31.265 31.823 0.076 0.000 0.708 459 V HN 0.283 nan 8.190 nan 0.000 0.490 460 R N -0.544 120.009 120.500 0.089 0.000 2.223 460 R HA 0.151 4.491 4.340 0.000 0.000 0.198 460 R C 2.249 178.606 176.300 0.094 0.000 0.984 460 R CA 0.896 57.045 56.100 0.081 0.000 1.018 460 R CB -0.090 30.230 30.300 0.033 0.000 0.945 460 R HN 0.503 nan 8.270 nan 0.000 0.479 461 A N 0.494 123.356 122.820 0.069 0.000 1.898 461 A HA 0.058 4.378 4.320 0.000 0.000 0.214 461 A C 2.001 179.611 177.584 0.044 0.000 1.183 461 A CA 1.173 53.239 52.037 0.049 0.000 0.622 461 A CB -0.307 18.710 19.000 0.029 0.000 0.824 461 A HN 0.336 nan 8.150 nan 0.000 0.444 462 A N -1.574 121.269 122.820 0.038 0.000 2.264 462 A HA -0.011 4.309 4.320 0.000 0.000 0.207 462 A C 1.243 178.737 177.584 -0.151 0.000 1.196 462 A CA 0.661 52.673 52.037 -0.042 0.000 0.778 462 A CB -0.717 18.246 19.000 -0.061 0.000 0.779 462 A HN 0.640 nan 8.150 nan 0.000 0.483 463 H N -1.290 117.781 119.070 0.003 0.000 2.785 463 H HA 0.314 4.870 4.556 0.000 0.000 0.268 463 H C 0.786 176.118 175.328 0.007 0.000 1.153 463 H CA 0.443 56.494 56.048 0.005 0.000 1.111 463 H CB 0.467 30.232 29.762 0.005 0.000 1.633 463 H HN 0.437 nan 8.280 nan 0.000 0.576 464 A N 1.700 124.566 122.820 0.077 0.000 3.052 464 A HA 0.191 4.512 4.320 0.000 0.000 0.266 464 A C 1.408 179.015 177.584 0.038 0.000 1.855 464 A CA 0.634 52.704 52.037 0.055 0.000 1.473 464 A CB -0.760 18.262 19.000 0.036 0.000 1.038 464 A HN 0.552 nan 8.150 nan 0.000 0.619 465 S N 0.091 115.820 115.700 0.048 0.000 2.378 465 S HA -0.348 4.122 4.470 0.000 0.000 0.240 465 S C 0.969 175.581 174.600 0.020 0.000 1.229 465 S CA 1.530 59.751 58.200 0.035 0.000 1.607 465 S CB -2.371 60.846 63.200 0.028 0.000 2.074 465 S HN 0.977 nan 8.310 nan 0.000 0.620 466 N N 3.407 122.112 118.700 0.008 0.000 2.185 466 N HA 0.422 5.162 4.740 0.000 0.000 0.243 466 N C 1.263 176.760 175.510 -0.022 0.000 1.276 466 N CA 0.402 53.447 53.050 -0.007 0.000 0.941 466 N CB -1.139 37.339 38.487 -0.014 0.000 1.129 466 N HN 0.759 nan 8.380 nan 0.000 0.417 467 G N -0.949 107.823 108.800 -0.048 0.000 2.563 467 G HA2 0.117 4.077 3.960 0.000 0.000 0.283 467 G HA3 0.117 4.077 3.960 0.000 0.000 0.283 467 G C 0.333 175.126 174.900 -0.178 0.000 1.309 467 G CA -0.252 44.796 45.100 -0.087 0.000 1.022 467 G HN 0.461 nan 8.290 nan 0.000 0.501 468 N N -0.866 117.622 118.700 -0.354 0.000 2.397 468 N HA 0.004 4.744 4.740 0.000 0.000 0.190 468 N C 1.488 176.914 175.510 -0.141 0.000 1.099 468 N CA 0.781 53.694 53.050 -0.229 0.000 0.876 468 N CB 0.152 38.506 38.487 -0.221 0.000 1.143 468 N HN 0.799 nan 8.380 nan 0.000 0.468 469 K N -1.771 118.544 120.400 -0.142 0.000 3.572 469 K HA -0.217 4.103 4.320 0.000 0.000 0.306 469 K C 0.005 176.710 176.600 0.175 0.000 1.286 469 K CA 1.656 58.050 56.287 0.179 0.000 1.010 469 K CB -2.014 30.545 32.500 0.098 0.000 1.268 469 K HN 0.209 nan 8.250 nan 0.000 0.438 470 c N 0.956 119.582 118.600 0.044 0.000 3.386 470 c HA 0.586 5.156 4.570 0.000 0.000 0.279 470 c C 0.670 174.770 174.090 0.018 0.000 1.508 470 c CA -0.034 56.318 56.329 0.039 0.000 1.801 470 c CB 0.337 42.851 42.510 0.006 0.000 2.798 470 c HN 0.582 nan 8.230 nan 0.000 0.605 471 A N 0.962 123.761 122.820 -0.034 0.000 2.343 471 A HA 0.660 4.980 4.320 0.000 0.000 0.305 471 A C 0.444 178.112 177.584 0.140 0.000 1.308 471 A CA 0.382 52.396 52.037 -0.039 0.000 0.949 471 A CB -0.135 18.706 19.000 -0.266 0.000 1.148 471 A HN 0.580 nan 8.150 nan 0.000 0.545 472 G N 0.797 109.639 108.800 0.070 0.000 2.733 472 G HA2 0.541 4.501 3.960 0.000 0.000 0.288 472 G HA3 0.541 4.501 3.960 0.000 0.000 0.288 472 G C -1.135 173.774 174.900 0.015 0.000 1.373 472 G CA -0.753 44.382 45.100 0.058 0.000 0.895 472 G HN 0.984 nan 8.290 nan 0.000 0.479 473 L N 1.092 122.311 121.223 -0.007 0.000 2.315 473 L HA 0.429 4.769 4.340 0.000 0.000 0.283 473 L C -0.090 176.738 176.870 -0.071 0.000 1.089 473 L CA -0.926 53.895 54.840 -0.033 0.000 0.833 473 L CB 0.593 42.628 42.059 -0.040 0.000 1.170 473 L HN 0.409 nan 8.230 nan 0.000 0.442 474 N N 3.772 122.431 118.700 -0.067 0.000 2.408 474 N HA 0.076 4.816 4.740 0.000 0.000 0.257 474 N C 0.949 176.354 175.510 -0.176 0.000 1.064 474 N CA 0.076 53.054 53.050 -0.119 0.000 0.952 474 N CB 1.569 40.036 38.487 -0.032 0.000 1.093 474 N HN 0.664 nan 8.380 nan 0.000 0.490 475 V N 2.074 121.766 119.914 -0.369 0.000 3.305 475 V HA 0.026 4.146 4.120 0.000 0.000 0.269 475 V C 1.050 176.978 176.094 -0.276 0.000 1.157 475 V CA 0.991 63.083 62.300 -0.347 0.000 1.157 475 V CB -0.982 30.594 31.823 -0.412 0.000 0.772 475 V HN 0.344 nan 8.190 nan 0.000 0.498 476 F N 1.340 121.291 119.950 0.002 0.000 2.208 476 F HA 0.167 4.694 4.527 0.000 0.000 0.282 476 F C 2.675 178.477 175.800 0.002 0.000 1.071 476 F CA 1.129 59.130 58.000 0.002 0.000 1.228 476 F CB -1.728 37.273 39.000 0.001 0.000 1.088 476 F HN 0.010 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 -0.129 4.221 4.350 0.000 0.000 0.264 477 T C 2.039 176.774 174.700 0.059 0.000 1.100 477 T CA 2.590 64.748 62.100 0.096 0.000 1.171 477 T CB -1.227 67.677 68.868 0.060 0.000 0.863 477 T HN 0.637 nan 8.240 nan 0.000 0.430 478 G N 0.971 109.786 108.800 0.026 0.000 2.254 478 G HA2 0.043 4.003 3.960 0.000 0.000 0.225 478 G HA3 0.043 4.003 3.960 0.000 0.000 0.225 478 G C 0.127 175.028 174.900 0.002 0.000 1.003 478 G CA 0.116 45.222 45.100 0.010 0.000 0.622 478 G HN 1.088 nan 8.290 nan 0.000 0.507 479 A N -0.360 122.465 122.820 0.007 0.000 2.322 479 A HA 0.876 5.196 4.320 0.000 0.000 0.327 479 A C 0.296 177.880 177.584 0.001 0.000 1.134 479 A CA 0.216 52.256 52.037 0.005 0.000 0.831 479 A CB 1.858 20.863 19.000 0.009 0.000 1.288 479 A HN 1.696 nan 8.150 nan 0.000 0.472 480 V N 1.083 120.998 119.914 0.002 0.000 2.508 480 V HA 0.373 4.493 4.120 0.000 0.000 0.281 480 V C -0.030 176.065 176.094 0.002 0.000 1.041 480 V CA 0.539 62.840 62.300 0.003 0.000 1.016 480 V CB 0.052 31.881 31.823 0.010 0.000 0.984 480 V HN 0.948 nan 8.190 nan 0.000 0.478 481 E N 3.940 124.141 120.200 0.002 0.000 2.449 481 E HA 0.383 4.733 4.350 0.000 0.000 0.254 481 E C -1.293 175.305 176.600 -0.002 0.000 0.907 481 E CA -0.929 55.472 56.400 0.002 0.000 0.840 481 E CB 1.285 30.992 29.700 0.011 0.000 1.459 481 E HN 0.717 nan 8.360 nan 0.000 0.407 482 D N 1.401 121.800 120.400 -0.002 0.000 2.428 482 D HA 0.107 4.747 4.640 0.000 0.000 0.221 482 D C 0.739 177.043 176.300 0.005 0.000 1.123 482 D CA -0.132 53.864 54.000 -0.006 0.000 0.869 482 D CB 0.771 41.564 40.800 -0.011 0.000 1.032 482 D HN 0.336 nan 8.370 nan 0.000 0.506 483 M N 1.910 121.515 119.600 0.010 0.000 2.229 483 M HA -0.130 4.350 4.480 0.000 0.000 0.264 483 M C 2.236 178.546 176.300 0.016 0.000 1.063 483 M CA 0.636 55.945 55.300 0.015 0.000 1.114 483 M CB -0.843 31.767 32.600 0.017 0.000 1.387 483 M HN 0.506 nan 8.290 nan 0.000 0.420 484 c N 0.580 119.188 118.600 0.013 0.000 2.425 484 c HA -0.143 4.427 4.570 0.000 0.000 0.277 484 c C 2.560 176.657 174.090 0.012 0.000 1.280 484 c CA 0.930 57.266 56.329 0.012 0.000 1.744 484 c CB -0.926 41.589 42.510 0.009 0.000 1.989 484 c HN 0.566 nan 8.230 nan 0.000 0.491 485 E N 0.443 120.650 120.200 0.010 0.000 2.170 485 E HA -0.058 4.292 4.350 0.000 0.000 0.191 485 E C 1.234 177.844 176.600 0.017 0.000 0.981 485 E CA 0.548 56.954 56.400 0.011 0.000 0.830 485 E CB -0.103 29.601 29.700 0.007 0.000 0.775 485 E HN 0.582 nan 8.360 nan 0.000 0.470 486 N N 0.135 118.849 118.700 0.022 0.000 2.515 486 N HA 0.021 4.761 4.740 0.000 0.000 0.191 486 N C 0.521 176.053 175.510 0.036 0.000 1.182 486 N CA 0.862 53.932 53.050 0.033 0.000 0.879 486 N CB 0.668 39.180 38.487 0.042 0.000 0.984 486 N HN 0.216 nan 8.380 nan 0.000 0.453 487 G N -0.272 108.544 108.800 0.027 0.000 2.225 487 G HA2 -0.247 3.713 3.960 0.000 0.000 0.264 487 G HA3 -0.247 3.713 3.960 0.000 0.000 0.264 487 G C -0.380 174.538 174.900 0.030 0.000 1.060 487 G CA 0.102 45.218 45.100 0.026 0.000 0.833 487 G HN 0.194 nan 8.290 nan 0.000 0.498 488 V N 0.960 120.890 119.914 0.027 0.000 2.277 488 V HA 0.594 4.714 4.120 0.000 0.000 0.269 488 V C 0.614 176.717 176.094 0.016 0.000 1.036 488 V CA -0.092 62.222 62.300 0.023 0.000 0.821 488 V CB 1.024 32.858 31.823 0.018 0.000 1.052 488 V HN 1.034 nan 8.190 nan 0.000 0.462 489 V N 1.861 121.784 119.914 0.015 0.000 3.007 489 V HA 0.829 4.950 4.120 0.000 0.000 0.311 489 V C -0.853 175.246 176.094 0.008 0.000 1.120 489 V CA -0.865 61.441 62.300 0.011 0.000 0.980 489 V CB 2.520 34.350 31.823 0.011 0.000 1.033 489 V HN 0.702 nan 8.190 nan 0.000 0.429 490 E N 2.370 122.573 120.200 0.006 0.000 2.290 490 E HA 0.531 4.881 4.350 0.000 0.000 0.274 490 E C -2.987 173.614 176.600 0.002 0.000 0.889 490 E CA -1.946 54.456 56.400 0.003 0.000 0.760 490 E CB 2.900 32.600 29.700 -0.000 0.000 1.206 490 E HN 0.590 nan 8.360 nan 0.000 0.419 491 P HA -0.125 nan 4.420 nan 0.000 0.269 491 P C 0.365 177.664 177.300 -0.001 0.000 1.205 491 P CA -0.118 62.982 63.100 0.000 0.000 0.780 491 P CB 0.587 32.286 31.700 -0.001 0.000 0.858 492 L N 2.596 123.818 121.223 -0.001 0.000 2.093 492 L HA -0.054 4.286 4.340 0.000 0.000 0.208 492 L C 2.317 179.185 176.870 -0.004 0.000 1.085 492 L CA 1.653 56.492 54.840 -0.002 0.000 0.755 492 L CB -0.774 41.284 42.059 -0.002 0.000 0.904 492 L HN 0.254 nan 8.230 nan 0.000 0.435 493 R N -1.100 119.398 120.500 -0.003 0.000 2.170 493 R HA -0.154 4.187 4.340 0.000 0.000 0.242 493 R C 2.015 178.312 176.300 -0.004 0.000 1.145 493 R CA 1.499 57.597 56.100 -0.004 0.000 0.984 493 R CB -0.214 30.084 30.300 -0.003 0.000 0.869 493 R HN 0.356 nan 8.270 nan 0.000 0.455 494 V N 0.974 120.885 119.914 -0.005 0.000 2.358 494 V HA -0.229 3.891 4.120 0.000 0.000 0.246 494 V C 2.090 178.179 176.094 -0.009 0.000 1.047 494 V CA 1.711 64.007 62.300 -0.007 0.000 1.035 494 V CB -0.221 31.598 31.823 -0.007 0.000 0.658 494 V HN 0.293 nan 8.190 nan 0.000 0.452 495 K N 0.097 120.493 120.400 -0.008 0.000 2.262 495 K HA -0.004 4.316 4.320 0.000 0.000 0.200 495 K C 2.222 178.820 176.600 -0.004 0.000 1.049 495 K CA 1.435 57.716 56.287 -0.009 0.000 0.979 495 K CB -0.396 32.099 32.500 -0.009 0.000 0.773 495 K HN 0.700 nan 8.250 nan 0.000 0.474 496 T N -0.405 114.146 114.554 -0.004 0.000 2.735 496 T HA -0.175 4.175 4.350 0.000 0.000 0.256 496 T C 2.173 176.873 174.700 0.001 0.000 1.042 496 T CA 1.041 63.140 62.100 -0.002 0.000 1.147 496 T CB -0.269 68.596 68.868 -0.005 0.000 0.865 496 T HN -0.003 nan 8.240 nan 0.000 0.421 497 Q N 2.063 121.862 119.800 -0.002 0.000 2.077 497 Q HA -0.008 4.332 4.340 0.000 0.000 0.206 497 Q C 2.416 178.415 176.000 -0.002 0.000 0.989 497 Q CA 2.330 58.132 55.803 -0.001 0.000 0.853 497 Q CB -1.076 27.660 28.738 -0.003 0.000 0.907 497 Q HN 0.688 nan 8.270 nan 0.000 0.418 498 A N 0.081 122.898 122.820 -0.006 0.000 1.877 498 A HA -0.145 4.175 4.320 0.000 0.000 0.216 498 A C 2.179 179.755 177.584 -0.012 0.000 1.186 498 A CA 1.599 53.627 52.037 -0.013 0.000 0.620 498 A CB -0.787 18.201 19.000 -0.021 0.000 0.822 498 A HN 0.498 nan 8.150 nan 0.000 0.443 499 I N -0.891 119.679 120.570 0.001 0.000 2.493 499 I HA -0.252 3.918 4.170 0.000 0.000 0.254 499 I C 2.755 178.907 176.117 0.058 0.000 1.160 499 I CA 1.527 62.843 61.300 0.027 0.000 1.445 499 I CB -0.141 37.897 38.000 0.063 0.000 1.086 499 I HN 0.519 nan 8.210 nan 0.000 0.433 500 Q N 0.220 120.042 119.800 0.037 0.000 2.204 500 Q HA -0.118 4.223 4.340 0.000 0.000 0.198 500 Q C 2.312 178.330 176.000 0.031 0.000 0.946 500 Q CA 1.455 57.283 55.803 0.040 0.000 0.859 500 Q CB 0.214 28.965 28.738 0.022 0.000 0.946 500 Q HN 0.525 nan 8.270 nan 0.000 0.474 501 S N 0.137 115.846 115.700 0.015 0.000 2.423 501 S HA -0.041 4.429 4.470 0.000 0.000 0.231 501 S C 1.968 176.571 174.600 0.005 0.000 1.014 501 S CA 0.762 58.968 58.200 0.010 0.000 0.965 501 S CB -0.159 63.043 63.200 0.003 0.000 0.785 501 S HN 0.419 nan 8.310 nan 0.000 0.495 502 A N 1.745 124.560 122.820 -0.009 0.000 1.968 502 A HA 0.434 4.754 4.320 0.000 0.000 0.217 502 A C 2.398 179.968 177.584 -0.024 0.000 1.169 502 A CA 1.297 53.311 52.037 -0.038 0.000 0.638 502 A CB -1.094 17.855 19.000 -0.086 0.000 0.812 502 A HN 0.663 nan 8.150 nan 0.000 0.446 503 A N -0.126 122.711 122.820 0.028 0.000 1.874 503 A HA -0.074 4.246 4.320 0.000 0.000 0.214 503 A C 1.929 179.572 177.584 0.098 0.000 1.189 503 A CA 1.329 53.425 52.037 0.098 0.000 0.615 503 A CB -0.465 18.657 19.000 0.202 0.000 0.830 503 A HN 0.546 nan 8.150 nan 0.000 0.443 504 E N 0.383 120.625 120.200 0.070 0.000 2.077 504 E HA -0.172 4.178 4.350 0.000 0.000 0.193 504 E C 2.437 179.072 176.600 0.059 0.000 0.989 504 E CA 1.633 58.071 56.400 0.063 0.000 0.800 504 E CB -0.213 29.512 29.700 0.042 0.000 0.746 504 E HN 0.767 nan 8.360 nan 0.000 0.452 505 S N 0.808 116.535 115.700 0.044 0.000 2.357 505 S HA -0.146 4.324 4.470 0.000 0.000 0.221 505 S C 2.356 176.987 174.600 0.052 0.000 1.031 505 S CA 1.685 59.908 58.200 0.038 0.000 0.982 505 S CB -0.782 62.431 63.200 0.022 0.000 0.853 505 S HN 0.353 nan 8.310 nan 0.000 0.458 506 T N -0.002 114.587 114.554 0.058 0.000 2.881 506 T HA -0.025 4.325 4.350 0.000 0.000 0.270 506 T C 1.602 176.383 174.700 0.135 0.000 1.068 506 T CA 1.358 63.509 62.100 0.085 0.000 1.131 506 T CB -0.653 68.266 68.868 0.084 0.000 0.871 506 T HN 0.590 nan 8.240 nan 0.000 0.479 507 E N 1.140 121.432 120.200 0.153 0.000 2.051 507 E HA -0.118 4.232 4.350 0.000 0.000 0.192 507 E C 2.276 178.934 176.600 0.096 0.000 0.991 507 E CA 1.712 58.206 56.400 0.157 0.000 0.799 507 E CB -0.323 29.468 29.700 0.152 0.000 0.748 507 E HN 0.788 nan 8.360 nan 0.000 0.449 508 M N 0.137 119.782 119.600 0.075 0.000 2.229 508 M HA -0.095 4.385 4.480 0.000 0.000 0.264 508 M C 1.884 178.216 176.300 0.053 0.000 1.063 508 M CA 1.446 56.780 55.300 0.057 0.000 1.114 508 M CB -0.077 32.551 32.600 0.047 0.000 1.387 508 M HN 0.041 nan 8.290 nan 0.000 0.420 509 L N 0.722 121.978 121.223 0.055 0.000 2.093 509 L HA -0.118 4.222 4.340 0.000 0.000 0.208 509 L C 2.411 179.308 176.870 0.045 0.000 1.085 509 L CA 1.146 56.014 54.840 0.048 0.000 0.755 509 L CB -0.514 41.570 42.059 0.042 0.000 0.904 509 L HN 0.444 nan 8.230 nan 0.000 0.435 510 L N -0.859 120.393 121.223 0.049 0.000 2.275 510 L HA -0.143 4.197 4.340 0.000 0.000 0.215 510 L C 2.454 179.340 176.870 0.026 0.000 1.119 510 L CA 0.756 55.615 54.840 0.031 0.000 0.790 510 L CB -0.393 41.681 42.059 0.025 0.000 0.919 510 L HN 0.184 nan 8.230 nan 0.000 0.443 511 R N -0.169 120.354 120.500 0.038 0.000 2.276 511 R HA 0.101 4.441 4.340 0.000 0.000 0.203 511 R C 0.396 176.716 176.300 0.034 0.000 1.017 511 R CA 0.263 56.388 56.100 0.041 0.000 1.010 511 R CB 0.001 30.329 30.300 0.046 0.000 0.900 511 R HN 0.257 nan 8.270 nan 0.000 0.469 512 I N 1.944 122.534 120.570 0.033 0.000 2.371 512 I HA -0.041 4.129 4.170 0.000 0.000 0.290 512 I C 0.621 176.755 176.117 0.028 0.000 1.028 512 I CA 0.073 61.393 61.300 0.034 0.000 1.345 512 I CB 1.232 39.259 38.000 0.044 0.000 1.407 512 I HN 0.108 nan 8.210 nan 0.000 0.501 513 D N 3.124 123.540 120.400 0.026 0.000 2.502 513 D HA 0.097 4.737 4.640 0.000 0.000 0.232 513 D C -0.041 176.279 176.300 0.033 0.000 1.137 513 D CA 0.026 54.038 54.000 0.020 0.000 0.827 513 D CB 0.478 41.279 40.800 0.001 0.000 1.141 513 D HN 0.281 nan 8.370 nan 0.000 0.517 514 D N 0.301 120.722 120.400 0.034 0.000 2.819 514 D HA 0.452 5.092 4.640 0.000 0.000 0.232 514 D C -1.119 175.196 176.300 0.026 0.000 1.160 514 D CA -0.579 53.440 54.000 0.031 0.000 0.858 514 D CB 2.847 43.656 40.800 0.014 0.000 1.610 514 D HN -0.178 nan 8.370 nan 0.000 0.481 515 V N 3.122 123.043 119.914 0.012 0.000 2.914 515 V HA 0.574 4.694 4.120 0.000 0.000 0.314 515 V C 0.098 176.128 176.094 -0.107 0.000 1.084 515 V CA -0.765 61.521 62.300 -0.025 0.000 0.963 515 V CB 2.182 34.012 31.823 0.011 0.000 1.025 515 V HN 0.492 nan 8.190 nan 0.000 0.432 516 I N 2.812 123.318 120.570 -0.107 0.000 2.698 516 I HA 0.546 4.716 4.170 0.000 0.000 0.276 516 I C 0.238 176.274 176.117 -0.136 0.000 1.166 516 I CA -0.256 60.967 61.300 -0.128 0.000 1.101 516 I CB 1.246 39.200 38.000 -0.077 0.000 1.305 516 I HN 0.696 nan 8.210 nan 0.000 0.526 517 A N 3.955 126.652 122.820 -0.205 0.000 2.301 517 A HA 0.886 5.206 4.320 0.000 0.000 0.298 517 A C 0.157 177.663 177.584 -0.130 0.000 1.185 517 A CA -0.155 51.781 52.037 -0.168 0.000 0.830 517 A CB 0.769 19.641 19.000 -0.213 0.000 1.112 517 A HN 0.656 nan 8.150 nan 0.000 0.508 518 A N 1.590 124.358 122.820 -0.086 0.000 2.312 518 A HA 0.848 5.168 4.320 0.000 0.000 0.310 518 A C 0.345 177.899 177.584 -0.050 0.000 1.139 518 A CA -0.052 51.947 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 1.226 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 29.686 29.700 -0.023 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440