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 3k2h_1_A DATA FIRST_RESID 4 DATA SEQUENCE SYEGCGDLTI FVAVALNKVI GHKNQIPWPH ITHDFRFLRN GTTYIPPEVL DATA SEQUENCE SKNPDIQNVV IFGRKTYESI PKASLPLKNR INVILSRTVK EVPGCLVYED DATA SEQUENCE LSTAIRDLRA NVPHNKIFIL GGSFLYKEVL DNGLCDKIYL TRLNKEYPGD DATA SEQUENCE TYFPDIPDTF EITAISPTFS TDFVSYDFVI YERKDCKXXX XXPPFDQLLM DATA SEQUENCE TGTDISVPKP KYVACPGVRI RNHEEFQYLD ILADVLSHGV LKPNRTGTDA DATA SEQUENCE YSKFGYQMRF DLSRSFPLLT TKKVALRSII EELLWFIKGS TNGNDLLAKN DATA SEQUENCE VRIWELNGRR DFLDKNGFTD REEHDLGPIY GFQWRHFGAE YLDMHADYTG DATA SEQUENCE KGIDQLAEII NRIKTNPNDR RLIVCSWNVS DLKKMALPPC HCFFQFYVSD DATA SEQUENCE NKLSCMMHQR SCDLGLGVPF NIASYSILTA MVAQVCGLGL GEFVHNLADA DATA SEQUENCE HIYVDHVDAV TTQIARIPHP FPRLRLNPDI RNIEDFTIDD IVVEDYVSHP DATA SEQUENCE PIPMAMSA 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.366 174.600 -0.390 0.000 1.055 4 S CA 0.000 58.041 58.200 -0.265 0.000 1.107 4 S CB 0.000 63.023 63.200 -0.296 0.000 0.593 5 Y N 2.603 122.905 120.300 0.003 0.000 2.660 5 Y HA 0.507 5.070 4.550 0.020 0.000 0.254 5 Y C 0.815 176.715 175.900 0.000 0.000 1.176 5 Y CA -0.075 58.026 58.100 0.001 0.000 1.195 5 Y CB -0.157 38.308 38.460 0.009 0.000 1.190 5 Y HN 0.359 nan 8.280 nan 0.000 0.535 6 E N 0.711 120.966 120.200 0.092 0.000 2.608 6 E HA 0.312 4.676 4.350 0.023 0.000 0.259 6 E C 1.502 178.134 176.600 0.053 0.000 0.951 6 E CA 0.577 57.012 56.400 0.059 0.000 0.945 6 E CB -0.571 29.144 29.700 0.026 0.000 0.916 6 E HN 0.864 nan 8.360 nan 0.000 0.477 7 G N 0.732 109.560 108.800 0.047 0.000 2.187 7 G HA2 -0.305 3.668 3.960 0.023 0.000 0.261 7 G HA3 -0.305 3.668 3.960 0.023 0.000 0.261 7 G C 0.887 175.814 174.900 0.046 0.000 1.000 7 G CA 0.759 45.882 45.100 0.037 0.000 0.718 7 G HN 1.273 nan 8.290 nan 0.000 0.519 8 C N 0.749 120.094 119.300 0.075 0.000 2.881 8 C HA 0.631 5.105 4.460 0.023 0.000 0.290 8 C C 1.860 176.883 174.990 0.055 0.000 1.362 8 C CA -0.321 58.747 59.018 0.082 0.000 1.757 8 C CB -0.681 27.168 27.740 0.182 0.000 2.265 8 C HN 0.868 nan 8.230 nan 0.000 0.600 9 G N -0.374 108.453 108.800 0.045 0.000 2.532 9 G HA2 0.438 4.412 3.960 0.023 0.000 0.291 9 G HA3 0.438 4.412 3.960 0.023 0.000 0.291 9 G C -0.174 174.749 174.900 0.039 0.000 1.349 9 G CA 0.113 45.234 45.100 0.035 0.000 1.038 9 G HN 0.310 nan 8.290 nan 0.000 0.518 10 D N -1.731 118.700 120.400 0.051 0.000 2.686 10 D HA -0.164 4.490 4.640 0.023 0.000 0.235 10 D C 0.039 176.372 176.300 0.055 0.000 1.160 10 D CA 0.461 54.498 54.000 0.062 0.000 0.645 10 D CB -1.353 39.475 40.800 0.047 0.000 1.039 10 D HN 0.296 nan 8.370 nan 0.000 0.423 11 L N 0.336 121.601 121.223 0.070 0.000 2.292 11 L HA 0.410 4.764 4.340 0.023 0.000 0.284 11 L C 0.904 177.861 176.870 0.145 0.000 1.065 11 L CA -0.425 54.457 54.840 0.070 0.000 0.806 11 L CB 1.631 43.730 42.059 0.067 0.000 1.175 11 L HN -0.048 nan 8.230 nan 0.000 0.431 12 T N 4.197 118.850 114.554 0.165 0.000 2.758 12 T HA 0.514 4.878 4.350 0.023 0.000 0.285 12 T C 0.064 175.061 174.700 0.495 0.000 0.981 12 T CA -0.301 61.999 62.100 0.334 0.000 0.965 12 T CB 0.865 69.971 68.868 0.397 0.000 0.927 12 T HN 0.267 nan 8.240 nan 0.000 0.448 13 I N 3.406 124.233 120.570 0.428 0.000 2.396 13 I HA 0.386 4.570 4.170 0.023 0.000 0.292 13 I C -0.646 175.727 176.117 0.427 0.000 0.999 13 I CA -0.475 61.105 61.300 0.466 0.000 1.310 13 I CB 0.763 38.981 38.000 0.364 0.000 1.404 13 I HN 0.487 nan 8.210 nan 0.000 0.496 14 F N 5.799 125.975 119.950 0.376 0.000 2.482 14 F HA 0.672 5.215 4.527 0.026 0.000 0.331 14 F C -0.084 175.880 175.800 0.272 0.000 1.115 14 F CA -0.590 57.590 58.000 0.300 0.000 0.955 14 F CB 1.846 40.961 39.000 0.191 0.000 1.136 14 F HN 0.061 nan 8.300 nan 0.000 0.452 15 V N 2.258 122.319 119.914 0.245 0.000 3.178 15 V HA 0.893 5.027 4.120 0.023 0.000 0.302 15 V C -1.693 174.444 176.094 0.072 0.000 1.262 15 V CA -0.719 61.633 62.300 0.086 0.000 1.030 15 V CB 2.187 33.684 31.823 -0.543 0.000 1.074 15 V HN 0.892 nan 8.190 nan 0.000 0.438 16 A N 4.217 127.137 122.820 0.166 0.000 2.318 16 A HA 0.871 5.204 4.320 0.023 0.000 0.317 16 A C -1.325 176.359 177.584 0.166 0.000 1.159 16 A CA -0.489 51.643 52.037 0.159 0.000 0.799 16 A CB 1.601 20.818 19.000 0.361 0.000 1.194 16 A HN 1.135 nan 8.150 nan 0.000 0.479 17 V N 2.088 121.964 119.914 -0.063 0.000 2.531 17 V HA 0.659 4.792 4.120 0.023 0.000 0.301 17 V C 0.691 176.719 176.094 -0.109 0.000 1.034 17 V CA -0.459 61.833 62.300 -0.015 0.000 0.865 17 V CB 1.296 33.057 31.823 -0.103 0.000 0.995 17 V HN 1.241 nan 8.190 nan 0.000 0.424 18 A N 3.165 126.003 122.820 0.030 0.000 2.346 18 A HA 0.509 4.843 4.320 0.023 0.000 0.252 18 A C 1.089 178.705 177.584 0.055 0.000 1.089 18 A CA -0.219 51.844 52.037 0.043 0.000 0.797 18 A CB 0.200 19.398 19.000 0.331 0.000 1.047 18 A HN 0.944 nan 8.150 nan 0.000 0.494 19 L N 0.645 121.889 121.223 0.035 0.000 2.127 19 L HA -0.166 4.187 4.340 0.023 0.000 0.211 19 L C 1.618 178.515 176.870 0.046 0.000 1.089 19 L CA 2.524 57.370 54.840 0.010 0.000 0.757 19 L CB -0.711 41.329 42.059 -0.032 0.000 0.899 19 L HN 0.853 nan 8.230 nan 0.000 0.434 20 N N -0.884 117.865 118.700 0.082 0.000 2.313 20 N HA -0.046 4.707 4.740 0.023 0.000 0.207 20 N C 0.418 176.052 175.510 0.207 0.000 1.141 20 N CA 0.302 53.428 53.050 0.126 0.000 0.830 20 N CB -0.151 38.411 38.487 0.124 0.000 1.008 20 N HN 0.406 nan 8.380 nan 0.000 0.481 21 K N -1.980 118.527 120.400 0.179 0.000 3.553 21 K HA -0.130 4.204 4.320 0.023 0.000 0.303 21 K C -0.643 176.066 176.600 0.181 0.000 1.327 21 K CA 0.679 57.110 56.287 0.240 0.000 0.983 21 K CB -1.845 30.853 32.500 0.330 0.000 1.275 21 K HN 0.090 nan 8.250 nan 0.000 0.453 22 V N 2.148 122.065 119.914 0.005 0.000 2.655 22 V HA 0.033 4.167 4.120 0.023 0.000 0.300 22 V C 1.617 177.796 176.094 0.142 0.000 1.044 22 V CA 1.038 63.216 62.300 -0.203 0.000 1.095 22 V CB 0.787 32.484 31.823 -0.211 0.000 0.952 22 V HN 0.354 nan 8.190 nan 0.000 0.485 23 I N 1.514 122.143 120.570 0.099 0.000 4.456 23 I HA 0.626 4.810 4.170 0.023 0.000 0.329 23 I C 0.722 176.827 176.117 -0.020 0.000 1.313 23 I CA 0.129 61.547 61.300 0.196 0.000 1.205 23 I CB 0.804 38.989 38.000 0.308 0.000 1.179 23 I HN 0.601 nan 8.210 nan 0.000 0.419 24 G N 0.398 109.181 108.800 -0.029 0.000 2.706 24 G HA2 0.592 4.566 3.960 0.023 0.000 0.297 24 G HA3 0.592 4.566 3.960 0.023 0.000 0.297 24 G C -2.296 172.627 174.900 0.038 0.000 1.403 24 G CA -0.358 44.724 45.100 -0.031 0.000 0.954 24 G HN 0.293 nan 8.290 nan 0.000 0.500 25 H N 0.383 119.393 119.070 -0.101 0.000 2.966 25 H HA 0.384 4.953 4.556 0.023 0.000 0.347 25 H C 0.265 175.565 175.328 -0.046 0.000 1.048 25 H CA -0.807 55.205 56.048 -0.061 0.000 1.295 25 H CB 1.172 30.892 29.762 -0.072 0.000 1.744 25 H HN 0.614 nan 8.280 nan 0.000 0.513 26 K N 3.635 123.830 120.400 -0.342 0.000 3.078 26 K HA -0.345 3.989 4.320 0.023 0.000 0.261 26 K C 0.037 176.547 176.600 -0.151 0.000 0.947 26 K CA 0.926 57.038 56.287 -0.291 0.000 0.702 26 K CB -1.210 31.021 32.500 -0.448 0.000 1.318 26 K HN 0.931 nan 8.250 nan 0.000 0.473 27 N N -0.129 118.526 118.700 -0.075 0.000 2.714 27 N HA -0.217 4.537 4.740 0.023 0.000 0.250 27 N C -0.953 174.514 175.510 -0.072 0.000 1.117 27 N CA 1.948 54.968 53.050 -0.050 0.000 0.719 27 N CB -0.222 38.237 38.487 -0.046 0.000 1.081 27 N HN 0.605 nan 8.380 nan 0.000 0.557 28 Q N -0.780 118.966 119.800 -0.090 0.000 2.544 28 Q HA 0.576 4.930 4.340 0.023 0.000 0.291 28 Q C -0.398 175.510 176.000 -0.153 0.000 1.068 28 Q CA -1.001 54.743 55.803 -0.098 0.000 0.785 28 Q CB 1.358 30.038 28.738 -0.096 0.000 1.481 28 Q HN 0.184 nan 8.270 nan 0.000 0.430 29 I N 2.556 123.005 120.570 -0.201 0.000 2.618 29 I HA 0.012 4.196 4.170 0.023 0.000 0.284 29 I C -1.622 174.147 176.117 -0.580 0.000 1.146 29 I CA -1.126 59.875 61.300 -0.499 0.000 1.425 29 I CB 0.500 38.225 38.000 -0.458 0.000 1.383 29 I HN 0.501 nan 8.210 nan 0.000 0.562 30 P HA -0.040 nan 4.420 nan 0.000 0.229 30 P C -0.889 176.154 177.300 -0.428 0.000 1.160 30 P CA 0.592 63.445 63.100 -0.413 0.000 0.777 30 P CB 0.042 31.592 31.700 -0.249 0.000 0.814 31 W N -1.203 119.796 121.300 -0.501 0.000 2.576 31 W HA 0.669 5.342 4.660 0.022 0.000 0.360 31 W C -2.715 173.575 176.519 -0.381 0.000 1.109 31 W CA -3.204 53.683 57.345 -0.764 0.000 1.237 31 W CB -1.361 27.520 29.460 -0.964 0.000 1.369 31 W HN -0.364 nan 8.180 nan 0.000 0.609 32 P HA -0.021 nan 4.420 nan 0.000 0.266 32 P C -0.445 176.873 177.300 0.029 0.000 1.195 32 P CA 0.245 63.123 63.100 -0.371 0.000 0.768 32 P CB 0.251 31.317 31.700 -1.057 0.000 0.838 33 H N 1.496 120.546 119.070 -0.034 0.000 3.001 33 H HA 0.064 4.634 4.556 0.024 0.000 0.334 33 H C 0.216 175.576 175.328 0.055 0.000 1.034 33 H CA -0.201 55.834 56.048 -0.021 0.000 1.420 33 H CB 0.162 29.933 29.762 0.015 0.000 1.405 33 H HN 0.294 nan 8.280 nan 0.000 0.593 34 I N 3.480 124.023 120.570 -0.046 0.000 2.347 34 I HA -0.020 4.164 4.170 0.023 0.000 0.283 34 I C 1.632 177.582 176.117 -0.279 0.000 1.058 34 I CA -0.255 60.970 61.300 -0.125 0.000 1.202 34 I CB 1.208 38.999 38.000 -0.349 0.000 1.386 34 I HN 0.739 nan 8.210 nan 0.000 0.475 35 T N 0.286 114.809 114.554 -0.052 0.000 2.881 35 T HA -0.247 4.117 4.350 0.023 0.000 0.270 35 T C 1.736 176.525 174.700 0.148 0.000 1.068 35 T CA 1.391 63.525 62.100 0.055 0.000 1.131 35 T CB -0.410 68.561 68.868 0.171 0.000 0.871 35 T HN 0.661 nan 8.240 nan 0.000 0.479 36 H N 0.850 119.935 119.070 0.024 0.000 2.319 36 H HA -0.143 4.427 4.556 0.023 0.000 0.299 36 H C 2.230 177.669 175.328 0.184 0.000 1.092 36 H CA 1.642 57.747 56.048 0.095 0.000 1.302 36 H CB -0.255 29.575 29.762 0.114 0.000 1.373 36 H HN 0.453 nan 8.280 nan 0.000 0.497 37 D N -0.182 120.230 120.400 0.019 0.000 2.117 37 D HA -0.169 4.485 4.640 0.023 0.000 0.197 37 D C 2.005 178.462 176.300 0.263 0.000 0.987 37 D CA 1.051 55.109 54.000 0.097 0.000 0.829 37 D CB -0.297 40.438 40.800 -0.109 0.000 0.961 37 D HN 0.249 nan 8.370 nan 0.000 0.460 38 F N 0.753 120.779 119.950 0.126 0.000 2.161 38 F HA 0.006 4.549 4.527 0.027 0.000 0.300 38 F C 2.605 178.441 175.800 0.059 0.000 1.089 38 F CA 0.782 58.826 58.000 0.074 0.000 1.282 38 F CB -0.815 38.202 39.000 0.028 0.000 1.010 38 F HN 0.004 nan 8.300 nan 0.000 0.485 39 R N -0.743 119.931 120.500 0.291 0.000 2.073 39 R HA -0.166 4.188 4.340 0.023 0.000 0.229 39 R C 2.374 178.734 176.300 0.100 0.000 1.120 39 R CA 1.203 57.408 56.100 0.175 0.000 0.967 39 R CB -0.678 29.744 30.300 0.204 0.000 0.862 39 R HN 0.242 nan 8.270 nan 0.000 0.436 40 F N 1.238 121.153 119.950 -0.057 0.000 2.069 40 F HA -0.281 4.262 4.527 0.026 0.000 0.298 40 F C 1.959 177.678 175.800 -0.135 0.000 1.113 40 F CA 1.549 59.412 58.000 -0.228 0.000 1.214 40 F CB -0.460 38.164 39.000 -0.627 0.000 0.978 40 F HN 0.068 nan 8.300 nan 0.000 0.474 41 L N 1.189 122.470 121.223 0.095 0.000 1.990 41 L HA -0.234 4.120 4.340 0.023 0.000 0.213 41 L C 2.634 179.229 176.870 -0.459 0.000 1.072 41 L CA 2.314 57.052 54.840 -0.171 0.000 0.755 41 L CB -1.063 41.040 42.059 0.075 0.000 0.889 41 L HN 0.265 nan 8.230 nan 0.000 0.432 42 R N -0.856 119.507 120.500 -0.228 0.000 2.081 42 R HA -0.167 4.186 4.340 0.023 0.000 0.235 42 R C 2.026 178.160 176.300 -0.276 0.000 1.131 42 R CA 1.655 57.620 56.100 -0.225 0.000 0.960 42 R CB -0.248 29.993 30.300 -0.098 0.000 0.856 42 R HN 0.493 nan 8.270 nan 0.000 0.436 43 N N -0.070 118.469 118.700 -0.269 0.000 2.142 43 N HA -0.095 4.659 4.740 0.023 0.000 0.186 43 N C 1.698 176.988 175.510 -0.367 0.000 1.023 43 N CA 1.506 54.403 53.050 -0.255 0.000 0.852 43 N CB -0.639 37.716 38.487 -0.220 0.000 0.998 43 N HN 0.400 nan 8.380 nan 0.000 0.424 44 G N 0.128 108.557 108.800 -0.618 0.000 2.408 44 G HA2 -0.209 3.765 3.960 0.023 0.000 0.217 44 G HA3 -0.209 3.765 3.960 0.023 0.000 0.217 44 G C 1.521 175.891 174.900 -0.883 0.000 1.150 44 G CA 1.667 46.350 45.100 -0.695 0.000 0.776 44 G HN 0.507 nan 8.290 nan 0.000 0.542 45 T N -1.971 111.936 114.554 -1.078 0.000 3.065 45 T HA 0.028 4.392 4.350 0.023 0.000 0.252 45 T C 2.091 176.568 174.700 -0.372 0.000 1.099 45 T CA 1.523 62.935 62.100 -1.146 0.000 1.063 45 T CB -0.016 68.208 68.868 -1.073 0.000 0.948 45 T HN 0.303 nan 8.240 nan 0.000 0.506 46 T N -1.729 112.684 114.554 -0.235 0.000 3.069 46 T HA 0.226 4.590 4.350 0.023 0.000 0.252 46 T C 0.289 175.002 174.700 0.021 0.000 1.053 46 T CA -0.689 61.370 62.100 -0.069 0.000 0.964 46 T CB -0.736 68.089 68.868 -0.072 0.000 1.005 46 T HN 0.447 nan 8.240 nan 0.000 0.532 47 Y N 2.853 123.109 120.300 -0.073 0.000 2.442 47 Y HA 0.495 5.061 4.550 0.027 0.000 0.330 47 Y C -0.500 175.428 175.900 0.048 0.000 1.129 47 Y CA -1.631 56.459 58.100 -0.016 0.000 1.365 47 Y CB 0.249 38.693 38.460 -0.026 0.000 1.233 47 Y HN 0.095 nan 8.280 nan 0.000 0.529 48 I N 8.602 128.749 120.570 -0.704 0.000 2.436 48 I HA 0.305 4.489 4.170 0.023 0.000 0.289 48 I C -2.498 173.015 176.117 -1.006 0.000 1.010 48 I CA -2.601 58.311 61.300 -0.647 0.000 1.098 48 I CB 1.476 39.313 38.000 -0.272 0.000 1.266 48 I HN 0.547 nan 8.210 nan 0.000 0.434 49 P HA 0.158 nan 4.420 nan 0.000 0.268 49 P C -1.980 175.215 177.300 -0.175 0.000 1.204 49 P CA -0.880 61.998 63.100 -0.369 0.000 0.768 49 P CB 0.141 31.792 31.700 -0.081 0.000 0.842 50 P HA -0.259 nan 4.420 nan 0.000 0.216 50 P C 1.612 178.897 177.300 -0.024 0.000 1.153 50 P CA 2.265 65.351 63.100 -0.023 0.000 0.858 50 P CB -0.381 31.337 31.700 0.030 0.000 0.789 51 E N -0.308 119.886 120.200 -0.011 0.000 2.058 51 E HA -0.203 4.160 4.350 0.023 0.000 0.194 51 E C 2.121 178.704 176.600 -0.027 0.000 0.997 51 E CA 2.182 58.575 56.400 -0.010 0.000 0.801 51 E CB -1.836 27.865 29.700 0.002 0.000 0.746 51 E HN 0.089 nan 8.360 nan 0.000 0.450 52 V N 0.115 120.001 119.914 -0.046 0.000 2.427 52 V HA -0.162 3.972 4.120 0.023 0.000 0.248 52 V C 2.643 178.702 176.094 -0.059 0.000 1.051 52 V CA 1.645 63.911 62.300 -0.057 0.000 1.048 52 V CB -0.376 31.401 31.823 -0.076 0.000 0.666 52 V HN 0.509 nan 8.190 nan 0.000 0.456 53 L N 0.844 122.024 121.223 -0.071 0.000 2.093 53 L HA -0.124 4.230 4.340 0.023 0.000 0.208 53 L C 2.746 179.594 176.870 -0.037 0.000 1.085 53 L CA 2.286 57.090 54.840 -0.061 0.000 0.755 53 L CB -0.586 41.429 42.059 -0.073 0.000 0.904 53 L HN 0.478 nan 8.230 nan 0.000 0.435 54 S N -0.358 115.325 115.700 -0.029 0.000 2.368 54 S HA -0.204 4.279 4.470 0.023 0.000 0.224 54 S C 2.305 176.895 174.600 -0.017 0.000 1.029 54 S CA 1.587 59.777 58.200 -0.018 0.000 0.988 54 S CB -0.617 62.576 63.200 -0.011 0.000 0.838 54 S HN 0.456 nan 8.310 nan 0.000 0.462 55 K N 1.928 122.315 120.400 -0.021 0.000 2.057 55 K HA 0.027 4.361 4.320 0.023 0.000 0.207 55 K C 0.959 177.546 176.600 -0.021 0.000 1.049 55 K CA 1.457 57.732 56.287 -0.020 0.000 0.931 55 K CB -0.997 31.490 32.500 -0.022 0.000 0.714 55 K HN 0.836 nan 8.250 nan 0.000 0.440 56 N N 0.386 119.071 118.700 -0.026 0.000 2.716 56 N HA 0.150 4.903 4.740 0.023 0.000 0.253 56 N C -2.716 172.779 175.510 -0.024 0.000 1.170 56 N CA -1.387 51.649 53.050 -0.023 0.000 0.807 56 N CB 2.165 40.636 38.487 -0.027 0.000 1.183 56 N HN 0.097 nan 8.380 nan 0.000 0.524 57 P HA 0.019 nan 4.420 nan 0.000 0.242 57 P C -0.104 177.187 177.300 -0.015 0.000 1.197 57 P CA 0.854 63.944 63.100 -0.018 0.000 0.765 57 P CB 0.455 32.148 31.700 -0.012 0.000 0.936 58 D N -0.736 119.657 120.400 -0.011 0.000 2.398 58 D HA 0.130 4.784 4.640 0.023 0.000 0.210 58 D C 0.913 177.211 176.300 -0.003 0.000 1.094 58 D CA -0.430 53.567 54.000 -0.006 0.000 0.839 58 D CB 0.278 41.077 40.800 -0.001 0.000 0.963 58 D HN 0.240 nan 8.370 nan 0.000 0.506 59 I N 1.437 122.001 120.570 -0.011 0.000 2.752 59 I HA -0.103 4.080 4.170 0.023 0.000 0.287 59 I C -0.061 176.058 176.117 0.003 0.000 1.188 59 I CA 0.635 61.931 61.300 -0.006 0.000 1.427 59 I CB 0.326 38.310 38.000 -0.026 0.000 1.365 59 I HN -0.162 nan 8.210 nan 0.000 0.585 60 Q N 5.344 125.162 119.800 0.031 0.000 2.484 60 Q HA 0.430 4.784 4.340 0.023 0.000 0.285 60 Q C -1.091 174.961 176.000 0.085 0.000 1.097 60 Q CA -1.065 54.764 55.803 0.043 0.000 0.802 60 Q CB 1.637 30.397 28.738 0.037 0.000 1.444 60 Q HN 0.583 nan 8.270 nan 0.000 0.429 61 N N -0.159 118.600 118.700 0.099 0.000 2.408 61 N HA 0.359 5.113 4.740 0.023 0.000 0.260 61 N C -0.892 174.669 175.510 0.086 0.000 1.242 61 N CA -0.195 52.940 53.050 0.142 0.000 0.959 61 N CB 0.996 39.656 38.487 0.289 0.000 1.201 61 N HN 0.185 nan 8.380 nan 0.000 0.511 62 V N 0.860 120.788 119.914 0.023 0.000 2.547 62 V HA 0.403 4.536 4.120 0.023 0.000 0.299 62 V C -0.003 176.086 176.094 -0.008 0.000 1.040 62 V CA -0.776 61.483 62.300 -0.069 0.000 0.913 62 V CB 1.661 33.335 31.823 -0.248 0.000 0.992 62 V HN 0.461 nan 8.190 nan 0.000 0.449 63 V N 3.413 123.263 119.914 -0.107 0.000 2.540 63 V HA 0.686 4.820 4.120 0.023 0.000 0.302 63 V C -0.604 175.172 176.094 -0.530 0.000 1.035 63 V CA -0.620 61.529 62.300 -0.252 0.000 0.873 63 V CB 1.630 33.264 31.823 -0.316 0.000 0.992 63 V HN 0.654 nan 8.190 nan 0.000 0.428 64 I N 5.161 125.446 120.570 -0.475 0.000 2.404 64 I HA 0.661 4.844 4.170 0.023 0.000 0.293 64 I C -0.905 174.932 176.117 -0.466 0.000 0.992 64 I CA -0.227 60.827 61.300 -0.410 0.000 1.149 64 I CB 1.643 39.550 38.000 -0.155 0.000 1.315 64 I HN 0.613 nan 8.210 nan 0.000 0.446 65 F N 2.504 122.461 119.950 0.011 0.000 2.593 65 F HA 0.686 5.225 4.527 0.021 0.000 0.320 65 F C 0.850 176.640 175.800 -0.017 0.000 1.060 65 F CA -1.089 56.914 58.000 0.006 0.000 0.940 65 F CB 1.030 40.064 39.000 0.057 0.000 1.268 65 F HN 0.412 nan 8.300 nan 0.000 0.475 66 G N 0.518 109.431 108.800 0.187 0.000 2.614 66 G HA2 0.162 4.136 3.960 0.023 0.000 0.239 66 G HA3 0.162 4.136 3.960 0.023 0.000 0.239 66 G C 0.797 175.745 174.900 0.080 0.000 1.240 66 G CA -0.432 44.713 45.100 0.074 0.000 0.842 66 G HN 0.897 nan 8.290 nan 0.000 0.584 67 R N 0.710 121.213 120.500 0.005 0.000 2.112 67 R HA -0.160 4.194 4.340 0.023 0.000 0.242 67 R C 2.361 178.668 176.300 0.012 0.000 1.137 67 R CA 2.066 58.171 56.100 0.008 0.000 0.944 67 R CB -0.256 30.021 30.300 -0.039 0.000 0.857 67 R HN 0.624 nan 8.270 nan 0.000 0.435 68 K N -0.894 119.487 120.400 -0.031 0.000 2.057 68 K HA -0.083 4.251 4.320 0.023 0.000 0.207 68 K C 2.101 178.690 176.600 -0.017 0.000 1.049 68 K CA 1.977 58.248 56.287 -0.026 0.000 0.931 68 K CB -0.124 32.359 32.500 -0.027 0.000 0.714 68 K HN 0.233 nan 8.250 nan 0.000 0.440 69 T N 0.438 115.000 114.554 0.012 0.000 2.788 69 T HA -0.177 4.187 4.350 0.023 0.000 0.268 69 T C 1.489 176.099 174.700 -0.149 0.000 1.044 69 T CA 1.139 63.235 62.100 -0.007 0.000 1.139 69 T CB -0.345 68.581 68.868 0.097 0.000 0.867 69 T HN 0.229 nan 8.240 nan 0.000 0.454 70 Y N 2.078 122.172 120.300 -0.343 0.000 2.089 70 Y HA -0.147 4.421 4.550 0.031 0.000 0.282 70 Y C 2.309 178.025 175.900 -0.307 0.000 1.139 70 Y CA 1.448 59.233 58.100 -0.525 0.000 1.123 70 Y CB -0.404 37.806 38.460 -0.416 0.000 0.980 70 Y HN 0.273 nan 8.280 nan 0.000 0.493 71 E N -0.923 119.192 120.200 -0.142 0.000 2.273 71 E HA -0.240 4.124 4.350 0.023 0.000 0.198 71 E C 2.218 178.700 176.600 -0.196 0.000 1.002 71 E CA 1.217 57.516 56.400 -0.168 0.000 0.828 71 E CB -0.287 29.369 29.700 -0.074 0.000 0.747 71 E HN 0.424 nan 8.360 nan 0.000 0.491 72 S N 0.110 115.696 115.700 -0.190 0.000 2.522 72 S HA -0.020 4.464 4.470 0.023 0.000 0.227 72 S C 0.738 175.222 174.600 -0.193 0.000 0.986 72 S CA -0.024 58.083 58.200 -0.156 0.000 0.929 72 S CB -0.056 63.082 63.200 -0.105 0.000 0.769 72 S HN 0.067 nan 8.310 nan 0.000 0.529 73 I N 2.662 123.048 120.570 -0.307 0.000 2.437 73 I HA 0.406 4.589 4.170 0.023 0.000 0.298 73 I C -2.195 173.736 176.117 -0.309 0.000 0.984 73 I CA -2.988 58.118 61.300 -0.324 0.000 1.214 73 I CB 1.058 38.799 38.000 -0.431 0.000 1.365 73 I HN 0.011 nan 8.210 nan 0.000 0.469 74 P HA -0.040 nan 4.420 nan 0.000 0.263 74 P C 0.533 177.699 177.300 -0.222 0.000 1.175 74 P CA 0.110 63.105 63.100 -0.174 0.000 0.761 74 P CB 0.393 32.023 31.700 -0.116 0.000 0.794 75 K N 2.197 122.485 120.400 -0.188 0.000 2.360 75 K HA -0.096 4.238 4.320 0.023 0.000 0.201 75 K C 1.964 178.488 176.600 -0.127 0.000 1.046 75 K CA 1.976 58.157 56.287 -0.177 0.000 0.940 75 K CB -1.066 31.361 32.500 -0.121 0.000 0.748 75 K HN 0.604 nan 8.250 nan 0.000 0.465 76 A N -0.062 122.694 122.820 -0.107 0.000 1.935 76 A HA 0.067 4.401 4.320 0.023 0.000 0.214 76 A C 2.389 179.927 177.584 -0.078 0.000 1.178 76 A CA 1.647 53.639 52.037 -0.074 0.000 0.640 76 A CB -0.313 18.654 19.000 -0.055 0.000 0.825 76 A HN 0.504 nan 8.150 nan 0.000 0.447 77 S N -1.451 114.182 115.700 -0.111 0.000 2.607 77 S HA 0.411 4.895 4.470 0.023 0.000 0.224 77 S C 0.376 174.909 174.600 -0.113 0.000 0.969 77 S CA 0.696 58.825 58.200 -0.118 0.000 0.927 77 S CB -1.129 61.971 63.200 -0.168 0.000 0.772 77 S HN 0.929 nan 8.310 nan 0.000 0.533 78 L N 1.638 122.794 121.223 -0.113 0.000 2.370 78 L HA 0.893 5.247 4.340 0.023 0.000 0.266 78 L C -2.573 174.312 176.870 0.026 0.000 1.002 78 L CA -2.374 52.422 54.840 -0.073 0.000 0.818 78 L CB 0.396 42.265 42.059 -0.317 0.000 1.325 78 L HN 0.028 nan 8.230 nan 0.000 0.418 79 P HA 0.272 nan 4.420 nan 0.000 0.269 79 P C -0.214 177.165 177.300 0.132 0.000 1.209 79 P CA -0.092 63.140 63.100 0.219 0.000 0.776 79 P CB 0.576 32.378 31.700 0.169 0.000 0.876 80 L N 1.673 123.006 121.223 0.183 0.000 2.601 80 L HA -0.038 4.315 4.340 0.023 0.000 0.277 80 L C 1.337 178.244 176.870 0.062 0.000 1.219 80 L CA 0.367 55.271 54.840 0.106 0.000 0.915 80 L CB -0.374 41.786 42.059 0.168 0.000 1.160 80 L HN 0.476 nan 8.230 nan 0.000 0.494 81 K N 4.671 125.083 120.400 0.019 0.000 2.401 81 K HA -0.011 4.323 4.320 0.023 0.000 0.278 81 K C 0.671 177.274 176.600 0.005 0.000 1.018 81 K CA -0.085 56.208 56.287 0.010 0.000 0.981 81 K CB 0.321 32.818 32.500 -0.004 0.000 0.933 81 K HN 0.659 nan 8.250 nan 0.000 0.477 82 N N 1.393 120.098 118.700 0.009 0.000 2.878 82 N HA -0.188 4.566 4.740 0.023 0.000 0.247 82 N C -1.030 174.487 175.510 0.011 0.000 1.021 82 N CA 1.132 54.185 53.050 0.006 0.000 0.873 82 N CB -0.857 37.627 38.487 -0.005 0.000 1.128 82 N HN 0.614 nan 8.380 nan 0.000 0.571 83 R N -0.238 120.274 120.500 0.020 0.000 2.867 83 R HA 0.639 4.993 4.340 0.023 0.000 0.268 83 R C -0.052 176.265 176.300 0.028 0.000 1.014 83 R CA -0.731 55.385 56.100 0.027 0.000 0.946 83 R CB 1.456 31.770 30.300 0.023 0.000 1.208 83 R HN -0.012 nan 8.270 nan 0.000 0.477 84 I N 1.890 122.470 120.570 0.016 0.000 2.337 84 I HA 0.129 4.313 4.170 0.023 0.000 0.291 84 I C -0.111 175.996 176.117 -0.016 0.000 1.046 84 I CA -0.013 61.288 61.300 0.002 0.000 1.324 84 I CB 0.583 38.576 38.000 -0.011 0.000 1.409 84 I HN 0.317 nan 8.210 nan 0.000 0.494 85 N N 6.145 124.851 118.700 0.010 0.000 2.444 85 N HA 0.371 5.125 4.740 0.023 0.000 0.271 85 N C -1.015 174.475 175.510 -0.034 0.000 1.069 85 N CA -0.358 52.707 53.050 0.025 0.000 0.965 85 N CB 2.244 40.823 38.487 0.152 0.000 1.092 85 N HN 0.215 nan 8.380 nan 0.000 0.476 86 V N 4.052 123.912 119.914 -0.089 0.000 2.588 86 V HA 0.486 4.619 4.120 0.023 0.000 0.304 86 V C -0.011 176.083 176.094 0.000 0.000 1.042 86 V CA -0.657 61.622 62.300 -0.036 0.000 0.877 86 V CB 1.831 33.658 31.823 0.006 0.000 0.996 86 V HN 0.525 nan 8.190 nan 0.000 0.425 87 I N 5.222 125.799 120.570 0.011 0.000 2.474 87 I HA 0.488 4.671 4.170 0.023 0.000 0.294 87 I C -0.662 175.487 176.117 0.053 0.000 1.005 87 I CA -0.535 60.786 61.300 0.036 0.000 1.113 87 I CB 1.887 39.830 38.000 -0.095 0.000 1.289 87 I HN 0.331 nan 8.210 nan 0.000 0.436 88 L N 5.050 126.312 121.223 0.065 0.000 2.309 88 L HA 0.678 5.032 4.340 0.023 0.000 0.282 88 L C -0.066 176.812 176.870 0.014 0.000 1.036 88 L CA -0.267 54.609 54.840 0.060 0.000 0.806 88 L CB 1.657 43.752 42.059 0.060 0.000 1.220 88 L HN 0.605 nan 8.230 nan 0.000 0.429 89 S N 1.618 117.322 115.700 0.008 0.000 2.578 89 S HA 0.369 4.853 4.470 0.023 0.000 0.285 89 S C -0.298 174.294 174.600 -0.014 0.000 1.126 89 S CA -0.674 57.512 58.200 -0.023 0.000 0.878 89 S CB 1.492 64.672 63.200 -0.032 0.000 1.091 89 S HN 0.729 nan 8.310 nan 0.000 0.450 90 R N 0.973 121.458 120.500 -0.024 0.000 2.397 90 R HA 0.175 4.529 4.340 0.023 0.000 0.241 90 R C 1.241 177.530 176.300 -0.018 0.000 0.914 90 R CA 0.899 56.992 56.100 -0.013 0.000 1.071 90 R CB 0.428 30.724 30.300 -0.007 0.000 1.116 90 R HN 0.748 nan 8.270 nan 0.000 0.524 91 T N -3.855 110.683 114.554 -0.027 0.000 3.003 91 T HA 0.270 4.633 4.350 0.023 0.000 0.261 91 T C 0.301 174.986 174.700 -0.025 0.000 1.003 91 T CA -0.169 61.916 62.100 -0.024 0.000 0.917 91 T CB 0.656 69.507 68.868 -0.028 0.000 1.084 91 T HN -0.201 nan 8.240 nan 0.000 0.522 92 V N 0.805 120.702 119.914 -0.029 0.000 2.709 92 V HA 0.773 4.907 4.120 0.023 0.000 0.308 92 V C 0.826 176.896 176.094 -0.040 0.000 1.062 92 V CA -0.382 61.900 62.300 -0.030 0.000 0.901 92 V CB 1.663 33.469 31.823 -0.028 0.000 1.003 92 V HN 0.331 nan 8.190 nan 0.000 0.425 93 K N 1.860 122.234 120.400 -0.043 0.000 2.313 93 K HA 0.668 5.002 4.320 0.023 0.000 0.197 93 K C 0.666 177.221 176.600 -0.074 0.000 1.061 93 K CA 1.203 57.457 56.287 -0.056 0.000 0.980 93 K CB 0.164 32.636 32.500 -0.046 0.000 0.888 93 K HN 1.052 nan 8.250 nan 0.000 0.502 94 E N -0.240 119.924 120.200 -0.061 0.000 2.256 94 E HA 0.636 5.000 4.350 0.023 0.000 0.268 94 E C -1.351 175.217 176.600 -0.053 0.000 0.877 94 E CA -0.628 55.733 56.400 -0.065 0.000 0.757 94 E CB 1.987 31.656 29.700 -0.051 0.000 1.183 94 E HN 0.331 nan 8.360 nan 0.000 0.418 95 V N 3.526 123.401 119.914 -0.064 0.000 2.623 95 V HA 0.492 4.626 4.120 0.023 0.000 0.304 95 V C -2.467 173.606 176.094 -0.035 0.000 1.054 95 V CA -1.946 60.328 62.300 -0.044 0.000 0.882 95 V CB 2.134 33.904 31.823 -0.088 0.000 1.002 95 V HN 0.740 nan 8.190 nan 0.000 0.424 96 P HA 0.146 nan 4.420 nan 0.000 0.253 96 P C 0.926 178.234 177.300 0.014 0.000 1.170 96 P CA 1.599 64.703 63.100 0.008 0.000 0.806 96 P CB 0.023 31.738 31.700 0.025 0.000 0.775 97 G N 1.718 110.514 108.800 -0.007 0.000 2.143 97 G HA2 -0.242 3.732 3.960 0.023 0.000 0.248 97 G HA3 -0.242 3.732 3.960 0.023 0.000 0.248 97 G C 0.193 175.083 174.900 -0.016 0.000 0.991 97 G CA -0.202 44.897 45.100 -0.001 0.000 0.689 97 G HN 0.628 nan 8.290 nan 0.000 0.522 98 C N -0.173 119.091 119.300 -0.060 0.000 2.719 98 C HA 0.820 5.294 4.460 0.023 0.000 0.327 98 C C 0.823 175.746 174.990 -0.112 0.000 1.238 98 C CA -1.048 57.909 59.018 -0.102 0.000 1.727 98 C CB 1.415 29.024 27.740 -0.218 0.000 2.256 98 C HN 0.452 nan 8.230 nan 0.000 0.489 99 L N 1.523 122.679 121.223 -0.112 0.000 2.379 99 L HA 0.740 5.093 4.340 0.023 0.000 0.269 99 L C -0.618 176.115 176.870 -0.230 0.000 1.084 99 L CA -0.409 54.321 54.840 -0.183 0.000 0.802 99 L CB 0.855 42.836 42.059 -0.130 0.000 1.175 99 L HN 0.321 nan 8.230 nan 0.000 0.448 100 V N 1.860 121.539 119.914 -0.391 0.000 2.577 100 V HA 0.448 4.582 4.120 0.023 0.000 0.303 100 V C -1.064 174.756 176.094 -0.457 0.000 1.042 100 V CA -0.620 61.507 62.300 -0.289 0.000 0.872 100 V CB 1.618 33.329 31.823 -0.186 0.000 0.998 100 V HN 0.448 nan 8.190 nan 0.000 0.423 101 Y N 1.275 121.552 120.300 -0.038 0.000 2.562 101 Y HA 0.438 4.990 4.550 0.003 0.000 0.343 101 Y C 1.226 177.113 175.900 -0.021 0.000 1.025 101 Y CA -0.837 57.247 58.100 -0.027 0.000 1.082 101 Y CB 2.078 40.524 38.460 -0.024 0.000 1.264 101 Y HN 0.577 nan 8.280 nan 0.000 0.478 102 E N 0.477 120.773 120.200 0.160 0.000 2.230 102 E HA -0.030 4.334 4.350 0.023 0.000 0.192 102 E C -0.827 175.820 176.600 0.077 0.000 0.987 102 E CA 1.005 57.454 56.400 0.082 0.000 0.841 102 E CB 0.302 30.035 29.700 0.055 0.000 0.783 102 E HN 0.755 nan 8.360 nan 0.000 0.481 103 D N -1.931 118.525 120.400 0.092 0.000 2.599 103 D HA 0.037 4.691 4.640 0.023 0.000 0.252 103 D C 0.311 176.637 176.300 0.045 0.000 1.232 103 D CA -0.690 53.350 54.000 0.067 0.000 0.819 103 D CB 0.611 41.440 40.800 0.049 0.000 1.401 103 D HN -0.190 nan 8.370 nan 0.000 0.429 104 L N 1.197 122.462 121.223 0.069 0.000 2.012 104 L HA -0.127 4.227 4.340 0.023 0.000 0.210 104 L C 2.063 178.949 176.870 0.026 0.000 1.073 104 L CA 2.820 57.695 54.840 0.058 0.000 0.748 104 L CB -1.042 41.099 42.059 0.137 0.000 0.891 104 L HN 0.683 nan 8.230 nan 0.000 0.431 105 S N -2.317 113.422 115.700 0.064 0.000 2.359 105 S HA -0.229 4.255 4.470 0.023 0.000 0.224 105 S C 1.908 176.461 174.600 -0.079 0.000 1.035 105 S CA 1.742 59.943 58.200 0.003 0.000 1.018 105 S CB -1.414 61.688 63.200 -0.163 0.000 0.876 105 S HN 0.547 nan 8.310 nan 0.000 0.448 106 T N 3.060 117.557 114.554 -0.095 0.000 2.652 106 T HA -0.042 4.322 4.350 0.023 0.000 0.267 106 T C 2.257 176.745 174.700 -0.354 0.000 1.039 106 T CA 1.682 63.706 62.100 -0.127 0.000 1.153 106 T CB -1.097 67.758 68.868 -0.021 0.000 0.863 106 T HN 0.661 nan 8.240 nan 0.000 0.428 107 A N 1.837 124.327 122.820 -0.550 0.000 1.873 107 A HA -0.122 4.212 4.320 0.023 0.000 0.218 107 A C 2.278 179.479 177.584 -0.638 0.000 1.193 107 A CA 1.566 52.922 52.037 -1.135 0.000 0.629 107 A CB -0.804 17.803 19.000 -0.654 0.000 0.826 107 A HN 0.415 nan 8.150 nan 0.000 0.447 108 I N -0.576 119.811 120.570 -0.306 0.000 2.142 108 I HA -0.213 3.971 4.170 0.023 0.000 0.240 108 I C 2.594 178.632 176.117 -0.130 0.000 1.078 108 I CA 1.638 62.835 61.300 -0.170 0.000 1.343 108 I CB -1.535 36.428 38.000 -0.062 0.000 1.046 108 I HN 0.352 nan 8.210 nan 0.000 0.405 109 R N 0.588 121.020 120.500 -0.114 0.000 2.096 109 R HA -0.250 4.104 4.340 0.023 0.000 0.240 109 R C 2.095 178.354 176.300 -0.068 0.000 1.139 109 R CA 2.232 58.290 56.100 -0.069 0.000 0.952 109 R CB -0.452 29.814 30.300 -0.057 0.000 0.854 109 R HN 0.355 nan 8.270 nan 0.000 0.436 110 D N 0.246 120.569 120.400 -0.128 0.000 2.117 110 D HA -0.132 4.522 4.640 0.023 0.000 0.197 110 D C 1.857 178.155 176.300 -0.003 0.000 0.987 110 D CA 1.085 55.059 54.000 -0.043 0.000 0.829 110 D CB 0.021 40.838 40.800 0.028 0.000 0.961 110 D HN 0.109 nan 8.370 nan 0.000 0.460 111 L N -0.206 120.974 121.223 -0.072 0.000 1.994 111 L HA -0.088 4.266 4.340 0.023 0.000 0.208 111 L C 2.715 179.665 176.870 0.132 0.000 1.071 111 L CA 1.209 56.037 54.840 -0.020 0.000 0.745 111 L CB -0.295 41.649 42.059 -0.193 0.000 0.892 111 L HN 0.003 nan 8.230 nan 0.000 0.431 112 R N -0.480 120.093 120.500 0.123 0.000 2.148 112 R HA -0.049 4.305 4.340 0.023 0.000 0.223 112 R C 2.217 178.559 176.300 0.069 0.000 1.088 112 R CA 1.025 57.220 56.100 0.158 0.000 0.985 112 R CB -0.271 30.086 30.300 0.095 0.000 0.880 112 R HN 0.348 nan 8.270 nan 0.000 0.451 113 A N 0.781 123.629 122.820 0.046 0.000 1.943 113 A HA 0.006 4.340 4.320 0.023 0.000 0.213 113 A C 1.452 179.058 177.584 0.037 0.000 1.181 113 A CA 0.834 52.889 52.037 0.030 0.000 0.653 113 A CB 0.189 19.200 19.000 0.019 0.000 0.833 113 A HN 0.183 nan 8.150 nan 0.000 0.451 114 N N -1.329 117.405 118.700 0.056 0.000 2.211 114 N HA 0.151 4.905 4.740 0.023 0.000 0.216 114 N C -0.714 174.839 175.510 0.072 0.000 1.240 114 N CA 0.372 53.456 53.050 0.056 0.000 0.895 114 N CB 1.522 40.043 38.487 0.057 0.000 1.102 114 N HN 0.122 nan 8.380 nan 0.000 0.498 115 V N 3.592 123.571 119.914 0.109 0.000 2.304 115 V HA 0.370 4.504 4.120 0.023 0.000 0.278 115 V C -2.398 173.818 176.094 0.205 0.000 1.018 115 V CA -1.734 60.643 62.300 0.129 0.000 0.814 115 V CB 1.444 33.334 31.823 0.111 0.000 1.021 115 V HN -0.122 nan 8.190 nan 0.000 0.440 116 P HA 0.176 nan 4.420 nan 0.000 0.264 116 P C -0.424 176.947 177.300 0.120 0.000 1.193 116 P CA 0.642 63.775 63.100 0.055 0.000 0.763 116 P CB 0.191 31.901 31.700 0.016 0.000 0.810 117 H N 0.458 119.518 119.070 -0.016 0.000 2.935 117 H HA 0.227 4.787 4.556 0.007 0.000 0.297 117 H C -0.440 174.869 175.328 -0.032 0.000 1.423 117 H CA -0.648 55.387 56.048 -0.021 0.000 1.161 117 H CB 0.471 30.220 29.762 -0.022 0.000 1.841 117 H HN 0.224 nan 8.280 nan 0.000 0.506 118 N N 0.519 119.238 118.700 0.031 0.000 2.349 118 N HA 0.077 4.831 4.740 0.023 0.000 0.202 118 N C -0.267 175.248 175.510 0.008 0.000 1.041 118 N CA 0.824 53.848 53.050 -0.044 0.000 0.970 118 N CB 0.604 39.081 38.487 -0.017 0.000 1.173 118 N HN 0.552 nan 8.380 nan 0.000 0.493 119 K N -0.216 120.224 120.400 0.067 0.000 2.375 119 K HA 0.461 4.795 4.320 0.023 0.000 0.249 119 K C -1.312 175.139 176.600 -0.249 0.000 0.942 119 K CA -0.613 55.611 56.287 -0.105 0.000 0.806 119 K CB 1.488 33.842 32.500 -0.245 0.000 1.227 119 K HN 0.136 nan 8.250 nan 0.000 0.430 120 I N 3.983 124.356 120.570 -0.328 0.000 2.331 120 I HA 0.290 4.473 4.170 0.023 0.000 0.292 120 I C -0.812 174.989 176.117 -0.527 0.000 0.998 120 I CA -0.608 60.489 61.300 -0.338 0.000 1.267 120 I CB 0.575 38.466 38.000 -0.182 0.000 1.386 120 I HN 0.385 nan 8.210 nan 0.000 0.476 121 F N 6.035 125.997 119.950 0.020 0.000 2.492 121 F HA 0.513 5.050 4.527 0.017 0.000 0.327 121 F C 0.116 175.935 175.800 0.032 0.000 1.079 121 F CA -0.826 57.222 58.000 0.080 0.000 0.967 121 F CB 1.481 40.509 39.000 0.048 0.000 1.169 121 F HN 0.128 nan 8.300 nan 0.000 0.472 122 I N 4.724 125.501 120.570 0.345 0.000 2.328 122 I HA 0.234 4.418 4.170 0.023 0.000 0.287 122 I C 0.018 176.340 176.117 0.341 0.000 1.012 122 I CA -0.104 61.341 61.300 0.242 0.000 1.195 122 I CB 1.313 39.475 38.000 0.270 0.000 1.350 122 I HN 0.640 nan 8.210 nan 0.000 0.464 123 L N 5.662 126.982 121.223 0.163 0.000 2.965 123 L HA 0.415 4.768 4.340 0.023 0.000 0.254 123 L C 0.948 177.931 176.870 0.189 0.000 1.220 123 L CA -0.255 54.763 54.840 0.297 0.000 1.023 123 L CB -0.074 42.157 42.059 0.287 0.000 1.355 123 L HN 0.884 nan 8.230 nan 0.000 0.545 124 G N 0.166 108.775 108.800 -0.317 0.000 2.698 124 G HA2 -0.118 3.856 3.960 0.023 0.000 0.225 124 G HA3 -0.118 3.856 3.960 0.023 0.000 0.225 124 G C 0.144 174.936 174.900 -0.180 0.000 1.345 124 G CA -0.528 44.056 45.100 -0.859 0.000 0.871 124 G HN 0.362 nan 8.290 nan 0.000 0.540 125 G N -1.572 107.193 108.800 -0.059 0.000 2.783 125 G HA2 0.510 4.484 3.960 0.023 0.000 0.182 125 G HA3 0.510 4.484 3.960 0.023 0.000 0.182 125 G C 1.652 176.555 174.900 0.004 0.000 1.516 125 G CA 1.290 46.388 45.100 -0.004 0.000 1.079 125 G HN 1.481 nan 8.290 nan 0.000 0.573 126 S N -0.290 115.595 115.700 0.310 0.000 2.368 126 S HA -0.096 4.388 4.470 0.023 0.000 0.225 126 S C 2.079 176.789 174.600 0.182 0.000 1.030 126 S CA 1.472 59.856 58.200 0.306 0.000 0.999 126 S CB -0.487 62.835 63.200 0.205 0.000 0.844 126 S HN 0.399 nan 8.310 nan 0.000 0.459 127 F N 1.072 121.062 119.950 0.067 0.000 2.087 127 F HA -0.177 4.365 4.527 0.024 0.000 0.299 127 F C 2.218 178.034 175.800 0.027 0.000 1.100 127 F CA 0.926 58.953 58.000 0.045 0.000 1.226 127 F CB -0.513 38.511 39.000 0.040 0.000 0.983 127 F HN 0.193 nan 8.300 nan 0.000 0.479 128 L N -0.979 120.367 121.223 0.205 0.000 2.044 128 L HA -0.161 4.192 4.340 0.023 0.000 0.205 128 L C 2.091 179.006 176.870 0.075 0.000 1.075 128 L CA 1.703 56.589 54.840 0.076 0.000 0.747 128 L CB -1.167 40.879 42.059 -0.021 0.000 0.903 128 L HN 0.056 nan 8.230 nan 0.000 0.435 129 Y N 0.117 120.490 120.300 0.121 0.000 2.165 129 Y HA -0.249 4.315 4.550 0.024 0.000 0.286 129 Y C 2.674 178.523 175.900 -0.086 0.000 1.155 129 Y CA 1.719 59.840 58.100 0.035 0.000 1.164 129 Y CB -0.894 37.577 38.460 0.018 0.000 0.978 129 Y HN 0.196 nan 8.280 nan 0.000 0.513 130 K N 0.894 121.344 120.400 0.084 0.000 2.026 130 K HA -0.223 4.111 4.320 0.023 0.000 0.208 130 K C 2.083 178.677 176.600 -0.009 0.000 1.048 130 K CA 1.965 58.241 56.287 -0.019 0.000 0.929 130 K CB -0.410 32.067 32.500 -0.039 0.000 0.713 130 K HN 0.423 nan 8.250 nan 0.000 0.439 131 E N -0.398 119.819 120.200 0.028 0.000 2.085 131 E HA -0.163 4.200 4.350 0.023 0.000 0.194 131 E C 1.768 178.323 176.600 -0.075 0.000 0.994 131 E CA 1.471 57.873 56.400 0.004 0.000 0.801 131 E CB -0.002 29.736 29.700 0.065 0.000 0.743 131 E HN 0.136 nan 8.360 nan 0.000 0.453 132 V N 0.950 120.850 119.914 -0.023 0.000 2.358 132 V HA -0.243 3.891 4.120 0.023 0.000 0.246 132 V C 2.368 178.446 176.094 -0.028 0.000 1.047 132 V CA 1.520 63.802 62.300 -0.030 0.000 1.035 132 V CB -0.311 31.556 31.823 0.073 0.000 0.658 132 V HN 0.328 nan 8.190 nan 0.000 0.452 133 L N -0.700 120.512 121.223 -0.018 0.000 2.068 133 L HA -0.087 4.267 4.340 0.023 0.000 0.204 133 L C 2.312 179.171 176.870 -0.018 0.000 1.076 133 L CA 1.334 56.165 54.840 -0.014 0.000 0.753 133 L CB -0.676 41.322 42.059 -0.102 0.000 0.910 133 L HN 0.256 nan 8.230 nan 0.000 0.439 134 D N 0.183 120.556 120.400 -0.045 0.000 2.190 134 D HA -0.166 4.488 4.640 0.023 0.000 0.200 134 D C 1.435 177.706 176.300 -0.048 0.000 0.992 134 D CA 1.087 55.065 54.000 -0.037 0.000 0.854 134 D CB -0.157 40.624 40.800 -0.031 0.000 0.936 134 D HN 0.253 nan 8.370 nan 0.000 0.462 135 N N -0.478 118.154 118.700 -0.114 0.000 2.235 135 N HA 0.119 4.873 4.740 0.023 0.000 0.209 135 N C 0.885 176.321 175.510 -0.123 0.000 1.122 135 N CA 0.533 53.478 53.050 -0.176 0.000 0.845 135 N CB 1.153 39.337 38.487 -0.506 0.000 1.004 135 N HN 0.126 nan 8.380 nan 0.000 0.499 136 G N 1.350 110.125 108.800 -0.043 0.000 2.225 136 G HA2 -0.266 3.708 3.960 0.023 0.000 0.267 136 G HA3 -0.266 3.708 3.960 0.023 0.000 0.267 136 G C 0.779 175.684 174.900 0.008 0.000 1.024 136 G CA 0.184 45.288 45.100 0.006 0.000 0.784 136 G HN 0.398 nan 8.290 nan 0.000 0.507 137 L N -1.073 120.138 121.223 -0.020 0.000 2.554 137 L HA 0.222 4.575 4.340 0.023 0.000 0.226 137 L C 1.655 178.569 176.870 0.074 0.000 1.137 137 L CA 0.173 55.008 54.840 -0.009 0.000 0.863 137 L CB 0.114 42.122 42.059 -0.084 0.000 0.985 137 L HN 0.474 nan 8.230 nan 0.000 0.451 138 C N 0.216 119.609 119.300 0.155 0.000 2.351 138 C HA 0.353 4.827 4.460 0.023 0.000 0.326 138 C C 0.964 176.171 174.990 0.361 0.000 1.272 138 C CA -0.512 58.655 59.018 0.248 0.000 1.650 138 C CB 0.797 28.689 27.740 0.253 0.000 2.257 138 C HN 0.294 nan 8.230 nan 0.000 0.505 139 D N 2.048 122.618 120.400 0.283 0.000 2.417 139 D HA 0.190 4.844 4.640 0.023 0.000 0.207 139 D C 0.001 176.517 176.300 0.360 0.000 1.075 139 D CA 0.695 54.842 54.000 0.245 0.000 0.851 139 D CB 0.347 41.219 40.800 0.119 0.000 0.976 139 D HN 0.641 nan 8.370 nan 0.000 0.505 140 K N 0.641 121.260 120.400 0.365 0.000 2.543 140 K HA 0.504 4.837 4.320 0.023 0.000 0.255 140 K C -1.778 174.935 176.600 0.188 0.000 0.934 140 K CA -0.503 55.945 56.287 0.269 0.000 0.810 140 K CB 1.804 34.434 32.500 0.216 0.000 1.315 140 K HN -0.212 nan 8.250 nan 0.000 0.433 141 I N 3.700 124.302 120.570 0.055 0.000 2.499 141 I HA 0.293 4.477 4.170 0.023 0.000 0.288 141 I C -1.226 174.803 176.117 -0.148 0.000 1.048 141 I CA -0.967 60.327 61.300 -0.010 0.000 1.062 141 I CB 1.459 39.384 38.000 -0.125 0.000 1.238 141 I HN 0.524 nan 8.210 nan 0.000 0.426 142 Y N 6.516 126.668 120.300 -0.247 0.000 2.404 142 Y HA 0.545 5.110 4.550 0.026 0.000 0.344 142 Y C -0.249 175.578 175.900 -0.122 0.000 0.970 142 Y CA -0.402 57.512 58.100 -0.310 0.000 1.180 142 Y CB 1.211 38.979 38.460 -1.152 0.000 1.138 142 Y HN 0.407 nan 8.280 nan 0.000 0.510 143 L N 3.453 124.744 121.223 0.114 0.000 2.376 143 L HA 0.539 4.893 4.340 0.023 0.000 0.275 143 L C -0.626 176.282 176.870 0.064 0.000 0.987 143 L CA -0.357 54.505 54.840 0.038 0.000 0.828 143 L CB 1.423 43.481 42.059 -0.001 0.000 1.249 143 L HN 0.481 nan 8.230 nan 0.000 0.409 144 T N 4.708 119.286 114.554 0.040 0.000 2.723 144 T HA 0.360 4.724 4.350 0.023 0.000 0.297 144 T C -0.005 174.617 174.700 -0.130 0.000 0.925 144 T CA -0.340 61.730 62.100 -0.050 0.000 1.030 144 T CB 0.128 68.987 68.868 -0.015 0.000 0.905 144 T HN 0.477 nan 8.240 nan 0.000 0.502 145 R N 2.929 123.349 120.500 -0.134 0.000 2.221 145 R HA 0.397 4.751 4.340 0.023 0.000 0.327 145 R C -0.922 175.296 176.300 -0.137 0.000 1.033 145 R CA -0.853 55.183 56.100 -0.107 0.000 0.887 145 R CB 0.540 30.814 30.300 -0.044 0.000 1.057 145 R HN 0.314 nan 8.270 nan 0.000 0.455 146 L N 2.889 123.998 121.223 -0.190 0.000 2.295 146 L HA 0.237 4.591 4.340 0.023 0.000 0.285 146 L C 0.789 177.614 176.870 -0.075 0.000 1.035 146 L CA -0.194 54.540 54.840 -0.177 0.000 0.806 146 L CB 1.310 43.133 42.059 -0.393 0.000 1.214 146 L HN 0.439 nan 8.230 nan 0.000 0.426 147 N N 1.858 120.540 118.700 -0.031 0.000 2.421 147 N HA 0.060 4.814 4.740 0.023 0.000 0.201 147 N C -0.228 175.262 175.510 -0.034 0.000 1.198 147 N CA 0.310 53.341 53.050 -0.031 0.000 0.838 147 N CB 0.014 38.498 38.487 -0.005 0.000 1.011 147 N HN 0.471 nan 8.380 nan 0.000 0.463 148 K N 0.335 120.723 120.400 -0.021 0.000 2.426 148 K HA 0.262 4.596 4.320 0.023 0.000 0.251 148 K C -0.841 175.711 176.600 -0.080 0.000 0.941 148 K CA -0.575 55.664 56.287 -0.080 0.000 0.808 148 K CB 1.773 34.206 32.500 -0.111 0.000 1.265 148 K HN 0.007 nan 8.250 nan 0.000 0.432 149 E N 2.175 122.287 120.200 -0.147 0.000 2.313 149 E HA 0.128 4.492 4.350 0.023 0.000 0.276 149 E C -1.140 175.318 176.600 -0.235 0.000 1.031 149 E CA -0.126 56.222 56.400 -0.087 0.000 0.857 149 E CB 0.803 30.465 29.700 -0.064 0.000 1.040 149 E HN 0.338 nan 8.360 nan 0.000 0.408 150 Y N 1.409 121.745 120.300 0.061 0.000 2.446 150 Y HA 0.275 4.839 4.550 0.024 0.000 0.345 150 Y C -2.112 173.761 175.900 -0.045 0.000 0.984 150 Y CA -2.560 55.575 58.100 0.058 0.000 1.058 150 Y CB 1.673 40.260 38.460 0.212 0.000 1.220 150 Y HN 0.415 nan 8.280 nan 0.000 0.455 151 P HA 0.327 nan 4.420 nan 0.000 0.268 151 P C -0.273 176.833 177.300 -0.324 0.000 1.205 151 P CA 0.144 63.135 63.100 -0.182 0.000 0.771 151 P CB 0.765 32.279 31.700 -0.310 0.000 0.858 152 G N 1.333 110.001 108.800 -0.221 0.000 2.451 152 G HA2 0.427 4.401 3.960 0.023 0.000 0.292 152 G HA3 0.427 4.401 3.960 0.023 0.000 0.292 152 G C -1.244 173.683 174.900 0.044 0.000 1.427 152 G CA -0.629 44.422 45.100 -0.081 0.000 0.792 152 G HN 0.453 nan 8.290 nan 0.000 0.498 153 D N -1.994 118.480 120.400 0.123 0.000 2.525 153 D HA 0.250 4.904 4.640 0.023 0.000 0.231 153 D C 0.413 176.869 176.300 0.260 0.000 1.216 153 D CA 0.182 54.319 54.000 0.228 0.000 0.813 153 D CB 0.953 41.879 40.800 0.209 0.000 1.108 153 D HN 0.421 nan 8.370 nan 0.000 0.524 154 T N 0.061 114.695 114.554 0.133 0.000 2.848 154 T HA 0.511 4.875 4.350 0.023 0.000 0.285 154 T C -1.396 173.369 174.700 0.108 0.000 0.995 154 T CA -0.473 61.752 62.100 0.207 0.000 0.970 154 T CB 1.297 70.270 68.868 0.175 0.000 0.976 154 T HN -0.070 nan 8.240 nan 0.000 0.441 155 Y N 0.841 121.237 120.300 0.160 0.000 2.499 155 Y HA 0.605 5.169 4.550 0.023 0.000 0.347 155 Y C -0.369 175.665 175.900 0.223 0.000 0.987 155 Y CA -1.845 56.363 58.100 0.180 0.000 1.044 155 Y CB 1.254 39.782 38.460 0.112 0.000 1.245 155 Y HN 0.661 nan 8.280 nan 0.000 0.461 156 F N 5.315 125.394 119.950 0.216 0.000 2.456 156 F HA 0.462 5.001 4.527 0.021 0.000 0.358 156 F C -2.084 173.758 175.800 0.071 0.000 1.095 156 F CA -2.668 55.386 58.000 0.090 0.000 1.216 156 F CB 0.519 39.496 39.000 -0.038 0.000 1.125 156 F HN 0.300 nan 8.300 nan 0.000 0.549 157 P HA 0.008 nan 4.420 nan 0.000 0.270 157 P C -0.995 176.140 177.300 -0.276 0.000 1.227 157 P CA -0.115 62.791 63.100 -0.324 0.000 0.788 157 P CB 0.465 31.934 31.700 -0.385 0.000 0.926 158 D N 0.577 120.900 120.400 -0.128 0.000 2.414 158 D HA 0.097 4.750 4.640 0.023 0.000 0.242 158 D C 0.446 176.672 176.300 -0.123 0.000 1.129 158 D CA 0.349 54.310 54.000 -0.065 0.000 0.885 158 D CB 0.219 41.005 40.800 -0.024 0.000 1.198 158 D HN 0.209 nan 8.370 nan 0.000 0.437 159 I N 3.379 123.888 120.570 -0.102 0.000 2.416 159 I HA 0.122 4.306 4.170 0.023 0.000 0.288 159 I C -1.838 174.279 176.117 0.000 0.000 1.051 159 I CA -1.669 59.529 61.300 -0.170 0.000 1.375 159 I CB 0.743 38.510 38.000 -0.387 0.000 1.407 159 I HN 0.051 nan 8.210 nan 0.000 0.516 160 P HA -0.008 nan 4.420 nan 0.000 0.269 160 P C -0.124 177.316 177.300 0.234 0.000 1.215 160 P CA -0.168 63.035 63.100 0.171 0.000 0.780 160 P CB 0.415 32.248 31.700 0.221 0.000 0.898 161 D N -1.186 119.300 120.400 0.145 0.000 2.352 161 D HA -0.103 4.551 4.640 0.023 0.000 0.232 161 D C 0.972 177.333 176.300 0.101 0.000 1.055 161 D CA 0.521 54.600 54.000 0.131 0.000 0.891 161 D CB -0.984 39.867 40.800 0.085 0.000 0.897 161 D HN 0.342 nan 8.370 nan 0.000 0.529 162 T N -3.342 111.259 114.554 0.078 0.000 3.055 162 T HA 0.083 4.447 4.350 0.023 0.000 0.265 162 T C 0.433 175.037 174.700 -0.159 0.000 1.111 162 T CA -0.096 61.963 62.100 -0.067 0.000 1.118 162 T CB -0.519 68.252 68.868 -0.161 0.000 0.909 162 T HN 0.022 nan 8.240 nan 0.000 0.501 163 F N 2.299 122.296 119.950 0.079 0.000 2.399 163 F HA 0.570 5.110 4.527 0.022 0.000 0.328 163 F C 0.598 176.506 175.800 0.179 0.000 1.084 163 F CA -1.119 56.963 58.000 0.138 0.000 1.053 163 F CB 1.240 40.343 39.000 0.172 0.000 1.209 163 F HN 0.248 nan 8.300 nan 0.000 0.502 164 E N 1.085 121.507 120.200 0.371 0.000 2.408 164 E HA 0.522 4.886 4.350 0.023 0.000 0.275 164 E C -1.522 175.106 176.600 0.048 0.000 0.935 164 E CA -0.887 55.634 56.400 0.202 0.000 0.775 164 E CB 2.014 31.767 29.700 0.089 0.000 1.277 164 E HN 0.499 nan 8.360 nan 0.000 0.455 165 I N 2.243 122.704 120.570 -0.182 0.000 2.471 165 I HA 0.067 4.251 4.170 0.023 0.000 0.286 165 I C 0.918 176.945 176.117 -0.149 0.000 1.079 165 I CA 0.148 61.225 61.300 -0.371 0.000 1.398 165 I CB 1.099 38.815 38.000 -0.473 0.000 1.403 165 I HN 0.813 nan 8.210 nan 0.000 0.530 166 T N 1.709 116.191 114.554 -0.121 0.000 3.003 166 T HA 0.556 4.920 4.350 0.023 0.000 0.261 166 T C 0.185 174.843 174.700 -0.069 0.000 1.003 166 T CA -0.191 61.868 62.100 -0.069 0.000 0.917 166 T CB 0.508 69.353 68.868 -0.039 0.000 1.084 166 T HN 0.594 nan 8.240 nan 0.000 0.522 167 A N 0.927 123.705 122.820 -0.071 0.000 2.547 167 A HA 0.788 5.121 4.320 0.023 0.000 0.297 167 A C -1.561 176.033 177.584 0.018 0.000 1.056 167 A CA -0.884 51.139 52.037 -0.023 0.000 0.688 167 A CB 1.231 20.228 19.000 -0.006 0.000 1.282 167 A HN 0.421 nan 8.150 nan 0.000 0.400 168 I N 1.930 122.550 120.570 0.084 0.000 2.571 168 I HA 0.343 4.527 4.170 0.023 0.000 0.289 168 I C 0.618 176.832 176.117 0.160 0.000 1.115 168 I CA -0.533 60.848 61.300 0.135 0.000 1.045 168 I CB 2.440 40.573 38.000 0.221 0.000 1.238 168 I HN 0.803 nan 8.210 nan 0.000 0.424 169 S N 6.018 121.817 115.700 0.165 0.000 2.634 169 S HA 0.559 5.042 4.470 0.023 0.000 0.261 169 S C -2.601 172.007 174.600 0.013 0.000 1.271 169 S CA -0.994 57.331 58.200 0.208 0.000 0.985 169 S CB 0.635 64.113 63.200 0.463 0.000 0.968 169 S HN 0.273 nan 8.310 nan 0.000 0.568 170 P HA 0.243 nan 4.420 nan 0.000 0.272 170 P C -0.560 176.287 177.300 -0.754 0.000 1.230 170 P CA -0.320 62.528 63.100 -0.420 0.000 0.788 170 P CB 0.004 31.423 31.700 -0.469 0.000 0.949 171 T N 2.182 116.259 114.554 -0.795 0.000 2.870 171 T HA 0.327 4.691 4.350 0.023 0.000 0.300 171 T C -0.076 174.098 174.700 -0.877 0.000 0.989 171 T CA 0.520 62.192 62.100 -0.713 0.000 1.139 171 T CB -0.452 68.133 68.868 -0.471 0.000 0.920 171 T HN 0.119 nan 8.240 nan 0.000 0.537 172 F N 0.889 120.474 119.950 -0.607 0.000 2.594 172 F HA 0.705 5.246 4.527 0.024 0.000 0.335 172 F C 0.613 176.018 175.800 -0.660 0.000 1.058 172 F CA -0.885 56.730 58.000 -0.641 0.000 0.981 172 F CB 1.914 40.439 39.000 -0.791 0.000 1.289 172 F HN 0.611 nan 8.300 nan 0.000 0.490 173 S N -1.120 114.520 115.700 -0.100 0.000 2.537 173 S HA 0.682 5.166 4.470 0.023 0.000 0.270 173 S C -0.772 173.882 174.600 0.090 0.000 1.142 173 S CA -0.768 57.437 58.200 0.008 0.000 0.870 173 S CB 1.340 64.528 63.200 -0.021 0.000 1.112 173 S HN 0.797 nan 8.310 nan 0.000 0.466 174 T N -1.627 112.902 114.554 -0.040 0.000 2.880 174 T HA 0.460 4.824 4.350 0.023 0.000 0.279 174 T C 0.565 175.142 174.700 -0.205 0.000 0.990 174 T CA 0.130 62.084 62.100 -0.243 0.000 0.938 174 T CB 0.640 69.004 68.868 -0.839 0.000 1.206 174 T HN 0.706 nan 8.240 nan 0.000 0.573 175 D N -1.079 119.246 120.400 -0.126 0.000 2.392 175 D HA -0.026 4.627 4.640 0.023 0.000 0.228 175 D C 0.901 177.257 176.300 0.093 0.000 1.003 175 D CA 0.664 54.675 54.000 0.017 0.000 0.917 175 D CB -0.389 40.473 40.800 0.104 0.000 0.890 175 D HN 0.610 nan 8.370 nan 0.000 0.532 176 F N -2.054 117.953 119.950 0.096 0.000 2.784 176 F HA 0.433 4.973 4.527 0.022 0.000 0.323 176 F C -0.206 175.666 175.800 0.120 0.000 1.085 176 F CA -0.694 57.369 58.000 0.105 0.000 1.196 176 F CB 0.466 39.545 39.000 0.131 0.000 1.053 176 F HN -0.105 nan 8.300 nan 0.000 0.578 177 V N 0.179 120.011 119.914 -0.137 0.000 3.098 177 V HA 0.557 4.691 4.120 0.023 0.000 0.294 177 V C -1.092 175.009 176.094 0.010 0.000 1.351 177 V CA -0.681 61.629 62.300 0.015 0.000 0.999 177 V CB 2.262 34.179 31.823 0.157 0.000 1.104 177 V HN 0.192 nan 8.190 nan 0.000 0.438 178 S N 5.073 120.804 115.700 0.051 0.000 2.554 178 S HA 0.892 5.376 4.470 0.023 0.000 0.278 178 S C -1.114 173.533 174.600 0.078 0.000 1.242 178 S CA -0.271 57.951 58.200 0.037 0.000 1.051 178 S CB 1.193 64.410 63.200 0.027 0.000 0.986 178 S HN 1.123 nan 8.310 nan 0.000 0.502 179 Y N -0.601 119.612 120.300 -0.145 0.000 2.641 179 Y HA 0.704 5.268 4.550 0.023 0.000 0.333 179 Y C -1.454 174.266 175.900 -0.301 0.000 1.174 179 Y CA -1.298 56.656 58.100 -0.244 0.000 1.057 179 Y CB 0.798 39.054 38.460 -0.339 0.000 1.322 179 Y HN 0.635 nan 8.280 nan 0.000 0.457 180 D N 0.648 120.853 120.400 -0.325 0.000 2.744 180 D HA 0.562 5.216 4.640 0.023 0.000 0.304 180 D C -1.682 174.216 176.300 -0.669 0.000 1.179 180 D CA -0.736 52.956 54.000 -0.515 0.000 1.024 180 D CB 1.338 41.941 40.800 -0.329 0.000 1.453 180 D HN 0.369 nan 8.370 nan 0.000 0.529 181 F N -0.369 119.513 119.950 -0.113 0.000 2.495 181 F HA 0.611 5.153 4.527 0.025 0.000 0.327 181 F C 0.293 176.044 175.800 -0.082 0.000 1.103 181 F CA -1.070 56.786 58.000 -0.241 0.000 0.949 181 F CB 2.125 40.744 39.000 -0.635 0.000 1.142 181 F HN 0.380 nan 8.300 nan 0.000 0.457 182 V N 0.456 120.441 119.914 0.118 0.000 3.040 182 V HA 0.715 4.849 4.120 0.023 0.000 0.312 182 V C -0.895 175.205 176.094 0.010 0.000 1.115 182 V CA -1.083 61.238 62.300 0.035 0.000 0.998 182 V CB 2.304 34.079 31.823 -0.081 0.000 1.042 182 V HN 0.675 nan 8.190 nan 0.000 0.433 183 I N 2.429 122.938 120.570 -0.101 0.000 2.406 183 I HA 0.500 4.684 4.170 0.023 0.000 0.290 183 I C -1.141 174.891 176.117 -0.142 0.000 0.999 183 I CA -0.487 60.689 61.300 -0.206 0.000 1.124 183 I CB 1.708 39.521 38.000 -0.313 0.000 1.289 183 I HN 0.653 nan 8.210 nan 0.000 0.441 184 Y N 4.346 124.581 120.300 -0.109 0.000 2.334 184 Y HA 0.451 5.015 4.550 0.023 0.000 0.328 184 Y C 0.213 176.190 175.900 0.129 0.000 1.130 184 Y CA -0.492 57.625 58.100 0.028 0.000 1.163 184 Y CB 1.332 39.795 38.460 0.005 0.000 1.207 184 Y HN 0.488 nan 8.280 nan 0.000 0.471 185 E N 1.628 122.043 120.200 0.358 0.000 2.312 185 E HA 0.351 4.715 4.350 0.023 0.000 0.267 185 E C -1.058 175.674 176.600 0.219 0.000 0.894 185 E CA -1.361 55.224 56.400 0.308 0.000 0.773 185 E CB 2.117 31.889 29.700 0.119 0.000 1.241 185 E HN 0.457 nan 8.360 nan 0.000 0.432 186 R N 2.090 122.552 120.500 -0.064 0.000 2.421 186 R HA -0.000 4.353 4.340 0.023 0.000 0.305 186 R C 0.756 176.947 176.300 -0.181 0.000 1.039 186 R CA 0.386 56.209 56.100 -0.461 0.000 1.003 186 R CB 0.340 30.352 30.300 -0.480 0.000 0.959 186 R HN 0.511 nan 8.270 nan 0.000 0.427 187 K N 2.065 122.371 120.400 -0.157 0.000 2.032 187 K HA -0.201 4.133 4.320 0.023 0.000 0.209 187 K C 1.315 177.875 176.600 -0.066 0.000 1.048 187 K CA 2.020 58.264 56.287 -0.071 0.000 0.927 187 K CB -0.024 32.445 32.500 -0.051 0.000 0.712 187 K HN 0.709 nan 8.250 nan 0.000 0.441 188 D N 0.204 120.551 120.400 -0.088 0.000 2.371 188 D HA -0.117 4.537 4.640 0.023 0.000 0.221 188 D C 1.335 177.606 176.300 -0.048 0.000 0.986 188 D CA 0.865 54.828 54.000 -0.062 0.000 0.899 188 D CB -0.331 40.430 40.800 -0.065 0.000 0.902 188 D HN 0.408 nan 8.370 nan 0.000 0.530 189 C N -3.062 116.207 119.300 -0.052 0.000 3.512 189 C HA 0.711 5.185 4.460 0.023 0.000 0.276 189 C C 1.093 176.076 174.990 -0.011 0.000 1.592 189 C CA -0.229 58.772 59.018 -0.028 0.000 1.803 189 C CB -0.973 26.752 27.740 -0.026 0.000 2.996 189 C HN 0.283 nan 8.230 nan 0.000 0.590 197 P HA 0.102 nan 4.420 nan 0.000 0.267 197 P C 0.660 178.018 177.300 0.098 0.000 1.200 197 P CA -0.405 62.739 63.100 0.072 0.000 0.772 197 P CB 0.495 32.226 31.700 0.051 0.000 0.855 198 F N 1.869 121.817 119.950 -0.003 0.000 2.161 198 F HA -0.235 4.306 4.527 0.023 0.000 0.300 198 F C 1.610 177.408 175.800 -0.004 0.000 1.089 198 F CA 1.837 59.835 58.000 -0.003 0.000 1.282 198 F CB -0.303 38.695 39.000 -0.003 0.000 1.010 198 F HN 0.247 nan 8.300 nan 0.000 0.485 199 D N 0.130 120.506 120.400 -0.041 0.000 2.158 199 D HA -0.239 4.414 4.640 0.023 0.000 0.197 199 D C 2.223 178.417 176.300 -0.175 0.000 0.995 199 D CA 1.529 55.454 54.000 -0.125 0.000 0.846 199 D CB -0.502 40.288 40.800 -0.017 0.000 0.941 199 D HN 0.486 nan 8.370 nan 0.000 0.456 200 Q N -0.414 119.314 119.800 -0.120 0.000 2.124 200 Q HA -0.090 4.263 4.340 0.023 0.000 0.202 200 Q C 2.392 178.295 176.000 -0.161 0.000 0.977 200 Q CA 0.770 56.508 55.803 -0.108 0.000 0.850 200 Q CB 0.004 28.707 28.738 -0.058 0.000 0.901 200 Q HN 0.355 nan 8.270 nan 0.000 0.429 201 L N -0.519 120.555 121.223 -0.248 0.000 2.095 201 L HA -0.126 4.228 4.340 0.023 0.000 0.204 201 L C 2.247 178.902 176.870 -0.358 0.000 1.080 201 L CA 0.309 54.985 54.840 -0.272 0.000 0.759 201 L CB -0.372 41.535 42.059 -0.254 0.000 0.914 201 L HN 0.213 nan 8.230 nan 0.000 0.439 202 L N -0.389 120.468 121.223 -0.611 0.000 2.093 202 L HA -0.122 4.232 4.340 0.023 0.000 0.208 202 L C 2.240 178.967 176.870 -0.238 0.000 1.085 202 L CA 1.675 56.223 54.840 -0.487 0.000 0.755 202 L CB -0.308 41.370 42.059 -0.636 0.000 0.904 202 L HN 0.193 nan 8.230 nan 0.000 0.435 203 M N -0.658 118.819 119.600 -0.204 0.000 2.659 203 M HA 0.013 4.506 4.480 0.023 0.000 0.243 203 M C 1.939 178.182 176.300 -0.095 0.000 1.111 203 M CA 1.108 56.336 55.300 -0.120 0.000 1.070 203 M CB -1.741 30.802 32.600 -0.094 0.000 1.525 203 M HN 0.512 nan 8.290 nan 0.000 0.517 204 T N -3.189 111.301 114.554 -0.106 0.000 2.985 204 T HA 0.146 4.510 4.350 0.023 0.000 0.266 204 T C 1.679 176.339 174.700 -0.067 0.000 1.076 204 T CA 1.095 63.147 62.100 -0.080 0.000 1.135 204 T CB -0.303 68.517 68.868 -0.080 0.000 0.890 204 T HN 0.535 nan 8.240 nan 0.000 0.480 205 G N 1.455 110.212 108.800 -0.072 0.000 2.162 205 G HA2 -0.249 3.724 3.960 0.023 0.000 0.260 205 G HA3 -0.249 3.724 3.960 0.023 0.000 0.260 205 G C 0.309 175.183 174.900 -0.044 0.000 0.976 205 G CA 0.813 45.881 45.100 -0.053 0.000 0.655 205 G HN 1.199 nan 8.290 nan 0.000 0.533 206 T N -2.808 111.716 114.554 -0.050 0.000 2.905 206 T HA 0.589 4.953 4.350 0.023 0.000 0.283 206 T C -0.245 174.436 174.700 -0.033 0.000 1.031 206 T CA -0.121 61.957 62.100 -0.037 0.000 1.002 206 T CB 1.952 70.797 68.868 -0.038 0.000 1.200 206 T HN 0.060 nan 8.240 nan 0.000 0.560 207 D N 0.780 121.169 120.400 -0.018 0.000 2.793 207 D HA -0.068 4.586 4.640 0.023 0.000 0.230 207 D C 1.533 177.829 176.300 -0.007 0.000 1.139 207 D CA 0.336 54.333 54.000 -0.005 0.000 0.838 207 D CB 0.297 41.098 40.800 0.002 0.000 1.149 207 D HN 0.630 nan 8.370 nan 0.000 0.526 208 I N 0.877 121.452 120.570 0.008 0.000 2.546 208 I HA -0.124 4.060 4.170 0.023 0.000 0.255 208 I C 0.790 176.929 176.117 0.037 0.000 1.163 208 I CA 0.187 61.495 61.300 0.013 0.000 1.457 208 I CB -0.127 37.917 38.000 0.072 0.000 1.092 208 I HN 0.065 nan 8.210 nan 0.000 0.434 209 S N 1.991 117.715 115.700 0.041 0.000 2.415 209 S HA 0.711 5.195 4.470 0.023 0.000 0.313 209 S C -0.106 174.508 174.600 0.023 0.000 1.067 209 S CA -0.618 57.603 58.200 0.036 0.000 1.099 209 S CB 0.776 63.999 63.200 0.038 0.000 0.991 209 S HN 0.310 nan 8.310 nan 0.000 0.491 210 V N 3.253 123.178 119.914 0.019 0.000 2.368 210 V HA 0.520 4.653 4.120 0.023 0.000 0.266 210 V C -2.022 174.086 176.094 0.023 0.000 1.045 210 V CA -2.315 59.996 62.300 0.018 0.000 0.899 210 V CB -0.343 31.487 31.823 0.011 0.000 1.006 210 V HN 0.657 nan 8.190 nan 0.000 0.470 211 P HA 0.390 nan 4.420 nan 0.000 0.261 211 P C 0.306 177.623 177.300 0.029 0.000 1.203 211 P CA 0.405 63.518 63.100 0.022 0.000 0.767 211 P CB -0.065 31.649 31.700 0.024 0.000 0.785 212 K N 5.288 125.695 120.400 0.011 0.000 2.518 212 K HA 0.146 4.480 4.320 0.023 0.000 0.276 212 K C -1.808 174.794 176.600 0.002 0.000 0.974 212 K CA -0.998 55.295 56.287 0.010 0.000 0.986 212 K CB -1.715 30.779 32.500 -0.010 0.000 0.901 212 K HN 0.465 nan 8.250 nan 0.000 0.497 213 P HA 0.029 nan 4.420 nan 0.000 0.267 213 P C 0.190 177.427 177.300 -0.105 0.000 1.200 213 P CA -0.135 62.941 63.100 -0.039 0.000 0.772 213 P CB 0.817 32.527 31.700 0.018 0.000 0.855 214 K N 1.518 121.817 120.400 -0.167 0.000 2.148 214 K HA -0.107 4.227 4.320 0.023 0.000 0.204 214 K C -0.163 176.159 176.600 -0.463 0.000 1.050 214 K CA 1.152 57.263 56.287 -0.294 0.000 0.942 214 K CB -0.056 32.261 32.500 -0.305 0.000 0.724 214 K HN 0.445 nan 8.250 nan 0.000 0.446 215 Y N -0.229 119.989 120.300 -0.135 0.000 2.376 215 Y HA 0.414 4.977 4.550 0.023 0.000 0.340 215 Y C -0.886 174.962 175.900 -0.086 0.000 0.965 215 Y CA -1.120 56.914 58.100 -0.110 0.000 1.078 215 Y CB 2.267 40.648 38.460 -0.131 0.000 1.193 215 Y HN -0.361 nan 8.280 nan 0.000 0.452 216 V N 2.847 122.800 119.914 0.066 0.000 2.577 216 V HA 0.653 4.787 4.120 0.023 0.000 0.303 216 V C -0.246 175.871 176.094 0.038 0.000 1.042 216 V CA -1.234 61.086 62.300 0.033 0.000 0.872 216 V CB 1.648 33.469 31.823 -0.003 0.000 0.998 216 V HN 0.914 nan 8.190 nan 0.000 0.423 217 A N 2.612 125.457 122.820 0.041 0.000 2.488 217 A HA 0.374 4.708 4.320 0.023 0.000 0.249 217 A C 0.834 178.467 177.584 0.081 0.000 1.083 217 A CA 0.245 52.318 52.037 0.061 0.000 0.768 217 A CB -0.502 18.554 19.000 0.092 0.000 1.017 217 A HN 1.603 nan 8.150 nan 0.000 0.496 218 C N 3.051 122.395 119.300 0.072 0.000 3.349 218 C HA -0.101 4.373 4.460 0.023 0.000 0.275 218 C C -0.474 174.529 174.990 0.023 0.000 1.322 218 C CA -0.022 59.042 59.018 0.078 0.000 2.261 218 C CB -2.217 25.661 27.740 0.231 0.000 1.446 218 C HN 0.866 nan 8.230 nan 0.000 0.533 219 P HA -0.099 nan 4.420 nan 0.000 0.219 219 P C 1.584 178.863 177.300 -0.035 0.000 1.146 219 P CA 2.314 65.399 63.100 -0.025 0.000 0.808 219 P CB -0.010 31.675 31.700 -0.024 0.000 0.779 220 G N -0.216 108.570 108.800 -0.023 0.000 2.534 220 G HA2 -0.033 3.941 3.960 0.023 0.000 0.217 220 G HA3 -0.033 3.941 3.960 0.023 0.000 0.217 220 G C 0.498 175.372 174.900 -0.043 0.000 1.128 220 G CA 0.084 45.168 45.100 -0.026 0.000 0.784 220 G HN 0.220 nan 8.290 nan 0.000 0.542 221 V N 0.992 120.869 119.914 -0.061 0.000 2.368 221 V HA 0.514 4.648 4.120 0.023 0.000 0.266 221 V C 1.464 177.455 176.094 -0.171 0.000 1.045 221 V CA 0.218 62.456 62.300 -0.104 0.000 0.899 221 V CB 0.521 32.301 31.823 -0.072 0.000 1.006 221 V HN 0.403 nan 8.190 nan 0.000 0.470 222 R N 4.706 125.131 120.500 -0.125 0.000 2.140 222 R HA 0.354 4.708 4.340 0.023 0.000 0.213 222 R C 0.741 176.961 176.300 -0.134 0.000 1.059 222 R CA 0.844 56.874 56.100 -0.118 0.000 1.000 222 R CB -0.169 30.091 30.300 -0.066 0.000 0.910 222 R HN 0.707 nan 8.270 nan 0.000 0.455 223 I N 1.837 122.337 120.570 -0.117 0.000 2.328 223 I HA 0.355 4.539 4.170 0.023 0.000 0.287 223 I C -0.295 175.736 176.117 -0.144 0.000 1.012 223 I CA -0.712 60.532 61.300 -0.093 0.000 1.195 223 I CB 1.900 39.890 38.000 -0.016 0.000 1.350 223 I HN 0.202 nan 8.210 nan 0.000 0.464 224 R N 4.534 124.895 120.500 -0.232 0.000 3.194 224 R HA 0.277 4.631 4.340 0.023 0.000 0.306 224 R C 0.260 176.534 176.300 -0.042 0.000 1.347 224 R CA -0.277 55.545 56.100 -0.464 0.000 1.540 224 R CB 0.006 29.748 30.300 -0.930 0.000 1.352 224 R HN 0.480 nan 8.270 nan 0.000 0.621 225 N N 0.031 118.801 118.700 0.116 0.000 2.353 225 N HA -0.069 4.685 4.740 0.023 0.000 0.185 225 N C 0.003 175.608 175.510 0.158 0.000 1.098 225 N CA 0.295 53.418 53.050 0.122 0.000 0.872 225 N CB 0.146 38.692 38.487 0.098 0.000 0.970 225 N HN 0.381 nan 8.380 nan 0.000 0.467 226 H N 2.059 121.238 119.070 0.181 0.000 2.929 226 H HA 0.045 4.614 4.556 0.023 0.000 0.317 226 H C 0.701 176.031 175.328 0.003 0.000 1.031 226 H CA 0.684 56.720 56.048 -0.020 0.000 1.466 226 H CB 0.754 30.404 29.762 -0.186 0.000 1.482 226 H HN 0.166 nan 8.280 nan 0.000 0.561 227 E N 3.069 123.385 120.200 0.194 0.000 2.209 227 E HA -0.211 4.153 4.350 0.023 0.000 0.196 227 E C 1.617 178.423 176.600 0.345 0.000 0.993 227 E CA 0.951 57.507 56.400 0.260 0.000 0.819 227 E CB 0.203 30.148 29.700 0.409 0.000 0.745 227 E HN 0.735 nan 8.360 nan 0.000 0.477 228 E N -0.004 120.317 120.200 0.203 0.000 2.209 228 E HA -0.195 4.169 4.350 0.023 0.000 0.196 228 E C 1.268 177.832 176.600 -0.060 0.000 0.993 228 E CA 0.675 57.053 56.400 -0.036 0.000 0.819 228 E CB -0.042 29.283 29.700 -0.626 0.000 0.745 228 E HN 0.211 nan 8.360 nan 0.000 0.477 229 F N 1.253 121.204 119.950 0.001 0.000 2.250 229 F HA -0.201 4.339 4.527 0.023 0.000 0.301 229 F C 2.284 178.088 175.800 0.006 0.000 1.077 229 F CA 1.269 59.260 58.000 -0.015 0.000 1.348 229 F CB -0.360 38.621 39.000 -0.032 0.000 1.040 229 F HN 0.105 nan 8.300 nan 0.000 0.509 230 Q N -1.420 118.494 119.800 0.189 0.000 2.084 230 Q HA -0.252 4.101 4.340 0.023 0.000 0.202 230 Q C 2.019 178.062 176.000 0.072 0.000 0.978 230 Q CA 1.950 57.805 55.803 0.086 0.000 0.844 230 Q CB -0.570 28.164 28.738 -0.006 0.000 0.898 230 Q HN 0.593 nan 8.270 nan 0.000 0.426 231 Y N 0.969 121.294 120.300 0.043 0.000 2.243 231 Y HA -0.087 4.477 4.550 0.023 0.000 0.293 231 Y C 1.703 177.573 175.900 -0.051 0.000 1.124 231 Y CA 1.016 59.117 58.100 0.001 0.000 1.159 231 Y CB 0.005 38.511 38.460 0.077 0.000 1.008 231 Y HN -0.033 nan 8.280 nan 0.000 0.527 232 L N -0.121 121.080 121.223 -0.037 0.000 2.093 232 L HA -0.178 4.176 4.340 0.023 0.000 0.208 232 L C 1.959 178.753 176.870 -0.127 0.000 1.085 232 L CA 1.334 56.103 54.840 -0.117 0.000 0.755 232 L CB -0.595 41.466 42.059 0.004 0.000 0.904 232 L HN 0.160 nan 8.230 nan 0.000 0.435 233 D N 0.455 120.828 120.400 -0.044 0.000 2.117 233 D HA -0.132 4.522 4.640 0.023 0.000 0.197 233 D C 2.303 178.512 176.300 -0.151 0.000 0.987 233 D CA 1.237 55.208 54.000 -0.048 0.000 0.829 233 D CB -0.034 40.768 40.800 0.002 0.000 0.961 233 D HN 0.297 nan 8.370 nan 0.000 0.460 234 I N 0.512 120.909 120.570 -0.289 0.000 2.179 234 I HA -0.234 3.949 4.170 0.023 0.000 0.242 234 I C 2.436 178.276 176.117 -0.461 0.000 1.088 234 I CA 0.574 61.563 61.300 -0.517 0.000 1.357 234 I CB -0.182 37.369 38.000 -0.748 0.000 1.051 234 I HN -0.020 nan 8.210 nan 0.000 0.409 235 L N 0.677 121.598 121.223 -0.502 0.000 1.997 235 L HA -0.312 4.042 4.340 0.023 0.000 0.216 235 L C 2.869 179.569 176.870 -0.283 0.000 1.074 235 L CA 1.816 56.410 54.840 -0.410 0.000 0.763 235 L CB -0.863 40.931 42.059 -0.442 0.000 0.890 235 L HN 0.295 nan 8.230 nan 0.000 0.434 236 A N -0.481 122.217 122.820 -0.203 0.000 1.940 236 A HA -0.303 4.030 4.320 0.023 0.000 0.219 236 A C 1.948 179.491 177.584 -0.068 0.000 1.176 236 A CA 2.241 54.217 52.037 -0.102 0.000 0.631 236 A CB -0.686 18.302 19.000 -0.020 0.000 0.814 236 A HN 0.497 nan 8.150 nan 0.000 0.446 237 D N -0.823 119.548 120.400 -0.050 0.000 2.144 237 D HA -0.094 4.560 4.640 0.023 0.000 0.200 237 D C 1.760 178.104 176.300 0.074 0.000 0.978 237 D CA 1.415 55.463 54.000 0.079 0.000 0.833 237 D CB 0.024 40.912 40.800 0.146 0.000 0.961 237 D HN 0.162 nan 8.370 nan 0.000 0.470 238 V N 0.326 120.220 119.914 -0.034 0.000 2.453 238 V HA -0.131 4.002 4.120 0.023 0.000 0.247 238 V C 2.541 178.565 176.094 -0.116 0.000 1.048 238 V CA 0.915 63.211 62.300 -0.007 0.000 1.049 238 V CB -0.402 31.392 31.823 -0.049 0.000 0.672 238 V HN 0.288 nan 8.190 nan 0.000 0.457 239 L N -0.211 120.840 121.223 -0.287 0.000 2.046 239 L HA -0.164 4.190 4.340 0.023 0.000 0.208 239 L C 2.620 179.307 176.870 -0.306 0.000 1.077 239 L CA 1.703 56.213 54.840 -0.550 0.000 0.747 239 L CB -0.551 40.880 42.059 -1.047 0.000 0.896 239 L HN 0.295 nan 8.230 nan 0.000 0.432 240 S N -1.661 113.946 115.700 -0.155 0.000 2.371 240 S HA -0.143 4.340 4.470 0.023 0.000 0.224 240 S C 1.398 175.753 174.600 -0.410 0.000 1.029 240 S CA 1.239 59.284 58.200 -0.258 0.000 0.978 240 S CB -0.126 62.800 63.200 -0.456 0.000 0.833 240 S HN 0.564 nan 8.310 nan 0.000 0.466 241 H N -0.915 118.184 119.070 0.049 0.000 3.535 241 H HA 0.345 4.915 4.556 0.023 0.000 0.260 241 H C 0.996 176.376 175.328 0.087 0.000 1.173 241 H CA -0.106 55.981 56.048 0.064 0.000 1.168 241 H CB 0.292 30.090 29.762 0.060 0.000 1.568 241 H HN 0.314 nan 8.280 nan 0.000 0.602 242 G N 1.038 109.948 108.800 0.183 0.000 2.594 242 G HA2 0.303 4.277 3.960 0.023 0.000 0.243 242 G HA3 0.303 4.277 3.960 0.023 0.000 0.243 242 G C -0.274 174.765 174.900 0.232 0.000 1.229 242 G CA -0.236 44.986 45.100 0.204 0.000 0.843 242 G HN 0.062 nan 8.290 nan 0.000 0.578 243 V N 2.267 122.287 119.914 0.175 0.000 2.439 243 V HA 0.181 4.315 4.120 0.023 0.000 0.282 243 V C 0.249 176.370 176.094 0.044 0.000 1.039 243 V CA -0.790 61.581 62.300 0.119 0.000 0.913 243 V CB 1.442 33.302 31.823 0.062 0.000 0.983 243 V HN 0.627 nan 8.190 nan 0.000 0.460 244 L N 7.344 128.541 121.223 -0.043 0.000 2.433 244 L HA 0.323 4.676 4.340 0.023 0.000 0.275 244 L C 0.060 176.824 176.870 -0.176 0.000 1.128 244 L CA 0.708 55.365 54.840 -0.305 0.000 0.875 244 L CB -0.511 41.318 42.059 -0.384 0.000 1.171 244 L HN 0.613 nan 8.230 nan 0.000 0.463 245 K N 5.748 126.039 120.400 -0.182 0.000 2.426 245 K HA 0.604 4.938 4.320 0.023 0.000 0.251 245 K C -2.634 173.888 176.600 -0.130 0.000 0.941 245 K CA -1.852 54.362 56.287 -0.121 0.000 0.808 245 K CB 1.739 34.185 32.500 -0.091 0.000 1.265 245 K HN 0.268 nan 8.250 nan 0.000 0.432 246 P HA 0.152 nan 4.420 nan 0.000 0.274 246 P C -1.131 176.133 177.300 -0.060 0.000 1.256 246 P CA -0.338 62.723 63.100 -0.064 0.000 0.795 246 P CB 0.471 32.146 31.700 -0.041 0.000 1.038 247 N N -1.826 116.856 118.700 -0.029 0.000 3.277 247 N HA 0.275 5.029 4.740 0.023 0.000 0.278 247 N C 0.575 176.104 175.510 0.031 0.000 1.544 247 N CA -1.012 52.029 53.050 -0.015 0.000 0.869 247 N CB 0.422 38.873 38.487 -0.060 0.000 1.584 247 N HN 0.086 nan 8.380 nan 0.000 0.564 248 R N -0.944 119.591 120.500 0.058 0.000 2.105 248 R HA -0.145 4.209 4.340 0.023 0.000 0.239 248 R C 1.076 177.431 176.300 0.091 0.000 1.135 248 R CA 2.498 58.645 56.100 0.080 0.000 0.967 248 R CB -0.706 29.664 30.300 0.116 0.000 0.861 248 R HN 0.844 nan 8.270 nan 0.000 0.442 249 T N -3.694 110.928 114.554 0.113 0.000 3.055 249 T HA 0.107 4.471 4.350 0.023 0.000 0.265 249 T C 1.446 176.180 174.700 0.057 0.000 1.111 249 T CA 0.935 63.094 62.100 0.098 0.000 1.118 249 T CB 0.163 69.071 68.868 0.067 0.000 0.909 249 T HN 0.475 nan 8.240 nan 0.000 0.501 250 G N 0.818 109.649 108.800 0.051 0.000 2.179 250 G HA2 -0.245 3.728 3.960 0.023 0.000 0.260 250 G HA3 -0.245 3.728 3.960 0.023 0.000 0.260 250 G C 0.226 175.139 174.900 0.022 0.000 0.977 250 G CA 0.376 45.492 45.100 0.027 0.000 0.641 250 G HN 0.780 nan 8.290 nan 0.000 0.533 251 T N 2.334 116.912 114.554 0.040 0.000 2.733 251 T HA 0.507 4.870 4.350 0.023 0.000 0.294 251 T C -0.075 174.702 174.700 0.127 0.000 0.956 251 T CA -0.494 61.641 62.100 0.058 0.000 0.987 251 T CB 1.572 70.447 68.868 0.012 0.000 0.920 251 T HN 0.210 nan 8.240 nan 0.000 0.470 252 D N 2.228 122.644 120.400 0.027 0.000 2.364 252 D HA 0.465 5.119 4.640 0.023 0.000 0.236 252 D C 0.020 176.261 176.300 -0.098 0.000 1.221 252 D CA 0.113 54.077 54.000 -0.061 0.000 0.891 252 D CB 0.528 41.249 40.800 -0.131 0.000 1.190 252 D HN 0.716 nan 8.370 nan 0.000 0.449 253 A N 0.895 123.563 122.820 -0.253 0.000 2.488 253 A HA 0.440 4.774 4.320 0.023 0.000 0.298 253 A C -1.466 175.940 177.584 -0.297 0.000 1.044 253 A CA -0.753 51.094 52.037 -0.317 0.000 0.693 253 A CB 0.627 19.270 19.000 -0.595 0.000 1.272 253 A HN 0.414 nan 8.150 nan 0.000 0.402 254 Y N 1.197 121.455 120.300 -0.069 0.000 2.526 254 Y HA 0.414 4.978 4.550 0.023 0.000 0.330 254 Y C 1.205 177.108 175.900 0.005 0.000 1.156 254 Y CA 1.231 59.313 58.100 -0.030 0.000 1.419 254 Y CB 1.074 39.511 38.460 -0.038 0.000 1.250 254 Y HN 0.628 nan 8.280 nan 0.000 0.540 255 S N 3.938 119.735 115.700 0.161 0.000 2.547 255 S HA 0.672 5.156 4.470 0.023 0.000 0.281 255 S C -1.235 173.474 174.600 0.181 0.000 1.118 255 S CA -0.868 57.429 58.200 0.162 0.000 0.947 255 S CB 1.096 64.353 63.200 0.095 0.000 1.053 255 S HN 0.675 nan 8.310 nan 0.000 0.482 256 K N 2.566 123.104 120.400 0.230 0.000 2.508 256 K HA 0.609 4.942 4.320 0.023 0.000 0.260 256 K C -1.979 174.792 176.600 0.286 0.000 0.949 256 K CA -0.729 55.705 56.287 0.246 0.000 0.834 256 K CB 1.453 34.128 32.500 0.291 0.000 1.365 256 K HN 0.526 nan 8.250 nan 0.000 0.437 257 F N 1.917 121.854 119.950 -0.021 0.000 2.444 257 F HA 0.588 5.129 4.527 0.023 0.000 0.342 257 F C 0.099 175.746 175.800 -0.255 0.000 1.121 257 F CA 0.096 58.054 58.000 -0.071 0.000 0.997 257 F CB 1.810 40.776 39.000 -0.057 0.000 1.130 257 F HN 0.638 nan 8.300 nan 0.000 0.454 258 G N 4.936 113.301 108.800 -0.725 0.000 3.110 258 G HA2 -0.152 3.821 3.960 0.023 0.000 0.506 258 G HA3 -0.152 3.821 3.960 0.023 0.000 0.506 258 G C -1.707 172.752 174.900 -0.734 0.000 1.077 258 G CA -0.640 44.007 45.100 -0.754 0.000 0.960 258 G HN 0.777 nan 8.290 nan 0.000 0.434 259 Y N -0.090 120.050 120.300 -0.267 0.000 2.609 259 Y HA 0.796 5.360 4.550 0.023 0.000 0.342 259 Y C 0.265 176.042 175.900 -0.206 0.000 1.058 259 Y CA -0.981 57.000 58.100 -0.198 0.000 1.055 259 Y CB 2.284 40.640 38.460 -0.174 0.000 1.292 259 Y HN 0.609 nan 8.280 nan 0.000 0.476 260 Q N 2.037 121.835 119.800 -0.004 0.000 2.274 260 Q HA 0.611 4.965 4.340 0.023 0.000 0.268 260 Q C -1.813 174.127 176.000 -0.100 0.000 1.015 260 Q CA -0.527 55.228 55.803 -0.080 0.000 0.775 260 Q CB 1.583 30.261 28.738 -0.099 0.000 1.256 260 Q HN 0.744 nan 8.270 nan 0.000 0.442 261 M N 3.378 122.892 119.600 -0.144 0.000 2.578 261 M HA 0.641 5.134 4.480 0.023 0.000 0.321 261 M C -0.679 175.400 176.300 -0.368 0.000 1.182 261 M CA -0.772 54.381 55.300 -0.245 0.000 0.965 261 M CB 2.160 34.666 32.600 -0.157 0.000 1.694 261 M HN 0.553 nan 8.290 nan 0.000 0.461 262 R N 1.108 121.260 120.500 -0.580 0.000 2.725 262 R HA 0.791 5.144 4.340 0.023 0.000 0.277 262 R C -2.091 173.756 176.300 -0.755 0.000 0.987 262 R CA -0.678 55.120 56.100 -0.504 0.000 0.901 262 R CB 1.561 31.716 30.300 -0.242 0.000 1.207 262 R HN 0.507 nan 8.270 nan 0.000 0.463 263 F N 0.616 120.581 119.950 0.025 0.000 2.539 263 F HA 0.220 4.761 4.527 0.023 0.000 0.318 263 F C -0.251 175.584 175.800 0.059 0.000 1.135 263 F CA -0.968 57.069 58.000 0.062 0.000 0.915 263 F CB 2.103 41.148 39.000 0.075 0.000 1.176 263 F HN 0.518 nan 8.300 nan 0.000 0.440 264 D N 4.344 124.848 120.400 0.173 0.000 2.374 264 D HA 0.179 4.833 4.640 0.023 0.000 0.240 264 D C 0.754 177.123 176.300 0.115 0.000 1.229 264 D CA 0.171 54.240 54.000 0.115 0.000 0.895 264 D CB 0.838 41.672 40.800 0.057 0.000 1.046 264 D HN 0.611 nan 8.370 nan 0.000 0.498 265 L N 2.780 124.080 121.223 0.128 0.000 2.478 265 L HA -0.074 4.279 4.340 0.023 0.000 0.223 265 L C 2.324 179.241 176.870 0.079 0.000 1.140 265 L CA 0.348 55.250 54.840 0.103 0.000 0.842 265 L CB -0.294 41.836 42.059 0.118 0.000 0.953 265 L HN 0.333 nan 8.230 nan 0.000 0.452 266 S N -0.359 115.387 115.700 0.077 0.000 2.461 266 S HA -0.043 4.440 4.470 0.023 0.000 0.228 266 S C 2.008 176.643 174.600 0.058 0.000 1.005 266 S CA 0.210 58.450 58.200 0.066 0.000 0.942 266 S CB -0.017 63.227 63.200 0.072 0.000 0.776 266 S HN 0.425 nan 8.310 nan 0.000 0.514 267 R N 1.131 121.658 120.500 0.045 0.000 2.087 267 R HA 0.260 4.614 4.340 0.023 0.000 0.216 267 R C 0.759 177.051 176.300 -0.014 0.000 1.114 267 R CA 1.046 57.153 56.100 0.011 0.000 1.002 267 R CB -0.017 30.243 30.300 -0.068 0.000 0.903 267 R HN 0.612 nan 8.270 nan 0.000 0.445 268 S N -0.901 114.806 115.700 0.011 0.000 2.661 268 S HA 0.373 4.856 4.470 0.023 0.000 0.268 268 S C -1.495 173.116 174.600 0.019 0.000 1.162 268 S CA -0.983 57.236 58.200 0.031 0.000 0.817 268 S CB 1.269 64.512 63.200 0.071 0.000 1.141 268 S HN 0.110 nan 8.310 nan 0.000 0.477 269 F N 3.335 123.164 119.950 -0.202 0.000 2.388 269 F HA 0.627 5.168 4.527 0.023 0.000 0.358 269 F C -2.413 172.943 175.800 -0.740 0.000 1.122 269 F CA -2.341 55.444 58.000 -0.358 0.000 1.056 269 F CB 2.120 40.950 39.000 -0.283 0.000 1.155 269 F HN 0.373 nan 8.300 nan 0.000 0.461 270 P HA 0.081 nan 4.420 nan 0.000 0.220 270 P C -0.794 175.530 177.300 -1.626 0.000 1.806 270 P CA 0.001 61.744 63.100 -2.262 0.000 0.976 270 P CB 0.296 31.022 31.700 -1.624 0.000 1.952 271 L N 2.682 123.187 121.223 -1.197 0.000 2.257 271 L HA 0.250 4.604 4.340 0.023 0.000 0.290 271 L C 0.094 176.905 176.870 -0.098 0.000 1.044 271 L CA -0.767 53.709 54.840 -0.606 0.000 0.810 271 L CB 0.446 42.220 42.059 -0.475 0.000 1.193 271 L HN 0.065 nan 8.230 nan 0.000 0.425 272 L N 4.406 125.597 121.223 -0.054 0.000 2.514 272 L HA 0.066 4.420 4.340 0.023 0.000 0.280 272 L C 1.353 178.402 176.870 0.298 0.000 1.223 272 L CA 0.605 55.528 54.840 0.138 0.000 0.864 272 L CB 0.444 42.441 42.059 -0.103 0.000 1.118 272 L HN 0.857 nan 8.230 nan 0.000 0.494 273 T N -4.527 110.180 114.554 0.256 0.000 2.990 273 T HA -0.051 4.313 4.350 0.023 0.000 0.250 273 T C 1.462 176.289 174.700 0.212 0.000 1.041 273 T CA 0.399 62.649 62.100 0.250 0.000 1.010 273 T CB -0.078 68.927 68.868 0.227 0.000 1.003 273 T HN 0.728 nan 8.240 nan 0.000 0.499 274 T N 0.474 115.073 114.554 0.074 0.000 3.113 274 T HA 0.146 4.510 4.350 0.023 0.000 0.263 274 T C 0.499 175.215 174.700 0.027 0.000 1.143 274 T CA 0.202 62.290 62.100 -0.021 0.000 1.090 274 T CB -0.569 68.214 68.868 -0.141 0.000 0.922 274 T HN 0.835 nan 8.240 nan 0.000 0.521 275 K N -0.218 120.236 120.400 0.089 0.000 2.556 275 K HA 0.455 4.789 4.320 0.023 0.000 0.274 275 K C -1.415 175.258 176.600 0.122 0.000 0.966 275 K CA -1.264 55.077 56.287 0.090 0.000 0.865 275 K CB 1.606 34.138 32.500 0.053 0.000 1.444 275 K HN -0.084 nan 8.250 nan 0.000 0.433 276 K N 2.318 122.778 120.400 0.100 0.000 2.338 276 K HA 0.157 4.491 4.320 0.023 0.000 0.290 276 K C -0.920 175.778 176.600 0.162 0.000 1.069 276 K CA -0.549 55.819 56.287 0.135 0.000 0.941 276 K CB 0.725 33.264 32.500 0.065 0.000 1.023 276 K HN 0.453 nan 8.250 nan 0.000 0.477 277 V N 3.799 123.848 119.914 0.226 0.000 2.509 277 V HA 0.206 4.340 4.120 0.023 0.000 0.284 277 V C 0.486 176.584 176.094 0.006 0.000 1.047 277 V CA -0.697 61.650 62.300 0.078 0.000 0.952 277 V CB 1.230 33.034 31.823 -0.032 0.000 0.988 277 V HN 0.902 nan 8.190 nan 0.000 0.469 278 A N 4.859 127.678 122.820 -0.001 0.000 3.030 278 A HA 0.198 4.531 4.320 0.023 0.000 0.273 278 A C 1.195 178.640 177.584 -0.232 0.000 1.841 278 A CA -0.111 51.904 52.037 -0.036 0.000 1.479 278 A CB -0.628 18.438 19.000 0.110 0.000 1.048 278 A HN 0.914 nan 8.150 nan 0.000 0.612 279 L N 2.124 123.207 121.223 -0.234 0.000 2.042 279 L HA -0.167 4.186 4.340 0.023 0.000 0.210 279 L C 2.345 179.058 176.870 -0.263 0.000 1.076 279 L CA 2.300 56.955 54.840 -0.310 0.000 0.749 279 L CB -0.439 41.451 42.059 -0.282 0.000 0.893 279 L HN 0.705 nan 8.230 nan 0.000 0.432 280 R N -0.856 119.541 120.500 -0.173 0.000 2.119 280 R HA -0.197 4.157 4.340 0.023 0.000 0.246 280 R C 2.226 178.444 176.300 -0.136 0.000 1.146 280 R CA 1.959 57.978 56.100 -0.135 0.000 0.962 280 R CB -0.339 29.908 30.300 -0.088 0.000 0.863 280 R HN 0.504 nan 8.270 nan 0.000 0.442 281 S N 0.403 116.032 115.700 -0.119 0.000 2.382 281 S HA -0.103 4.381 4.470 0.023 0.000 0.228 281 S C 1.866 176.400 174.600 -0.109 0.000 1.027 281 S CA 1.340 59.511 58.200 -0.049 0.000 0.991 281 S CB -0.157 63.127 63.200 0.140 0.000 0.823 281 S HN 0.301 nan 8.310 nan 0.000 0.469 282 I N 1.256 121.609 120.570 -0.362 0.000 2.179 282 I HA -0.180 4.003 4.170 0.023 0.000 0.242 282 I C 2.017 177.991 176.117 -0.239 0.000 1.088 282 I CA 1.197 62.253 61.300 -0.405 0.000 1.357 282 I CB -0.397 37.234 38.000 -0.616 0.000 1.051 282 I HN 0.239 nan 8.210 nan 0.000 0.409 283 I N 0.300 120.735 120.570 -0.225 0.000 2.226 283 I HA -0.250 3.934 4.170 0.023 0.000 0.245 283 I C 2.556 178.589 176.117 -0.141 0.000 1.100 283 I CA 1.263 62.454 61.300 -0.182 0.000 1.374 283 I CB -0.433 37.462 38.000 -0.175 0.000 1.057 283 I HN 0.233 nan 8.210 nan 0.000 0.413 284 E N 0.554 120.676 120.200 -0.129 0.000 2.072 284 E HA -0.259 4.105 4.350 0.023 0.000 0.191 284 E C 1.990 178.513 176.600 -0.129 0.000 0.985 284 E CA 1.067 57.403 56.400 -0.107 0.000 0.801 284 E CB -0.256 29.376 29.700 -0.114 0.000 0.750 284 E HN 0.548 nan 8.360 nan 0.000 0.452 285 E N 0.658 120.747 120.200 -0.186 0.000 2.077 285 E HA -0.190 4.174 4.350 0.023 0.000 0.193 285 E C 2.216 178.500 176.600 -0.528 0.000 0.989 285 E CA 0.680 56.900 56.400 -0.300 0.000 0.800 285 E CB -0.025 29.562 29.700 -0.188 0.000 0.746 285 E HN 0.073 nan 8.360 nan 0.000 0.452 286 L N 1.068 122.087 121.223 -0.340 0.000 2.046 286 L HA -0.153 4.200 4.340 0.023 0.000 0.208 286 L C 2.196 179.021 176.870 -0.075 0.000 1.077 286 L CA 1.520 56.236 54.840 -0.207 0.000 0.747 286 L CB -0.418 41.576 42.059 -0.109 0.000 0.896 286 L HN 0.211 nan 8.230 nan 0.000 0.432 287 L N -2.139 119.058 121.223 -0.043 0.000 2.131 287 L HA -0.219 4.135 4.340 0.023 0.000 0.210 287 L C 2.355 179.275 176.870 0.084 0.000 1.092 287 L CA 1.384 56.248 54.840 0.042 0.000 0.759 287 L CB -0.739 41.342 42.059 0.038 0.000 0.903 287 L HN 0.519 nan 8.230 nan 0.000 0.435 288 W N 0.746 121.924 121.300 -0.202 0.000 2.379 288 W HA -0.195 4.478 4.660 0.023 0.000 0.307 288 W C 2.224 178.653 176.519 -0.150 0.000 1.200 288 W CA 1.202 58.428 57.345 -0.198 0.000 1.297 288 W CB -0.292 28.993 29.460 -0.292 0.000 1.140 288 W HN -0.028 nan 8.180 nan 0.000 0.507 289 F N 0.733 120.578 119.950 -0.175 0.000 2.069 289 F HA -0.214 4.326 4.527 0.023 0.000 0.298 289 F C 2.357 177.963 175.800 -0.323 0.000 1.113 289 F CA 1.548 59.193 58.000 -0.592 0.000 1.214 289 F CB -1.642 36.755 39.000 -1.005 0.000 0.978 289 F HN -0.149 nan 8.300 nan 0.000 0.474 290 I N 0.651 121.330 120.570 0.182 0.000 2.151 290 I HA -0.351 3.833 4.170 0.023 0.000 0.243 290 I C 2.287 178.507 176.117 0.172 0.000 1.080 290 I CA 1.991 63.468 61.300 0.295 0.000 1.339 290 I CB -0.668 37.494 38.000 0.270 0.000 1.039 290 I HN 0.192 nan 8.210 nan 0.000 0.409 291 K N 1.375 121.829 120.400 0.090 0.000 2.525 291 K HA 0.138 4.472 4.320 0.023 0.000 0.192 291 K C 1.236 177.868 176.600 0.052 0.000 1.029 291 K CA 0.835 57.168 56.287 0.077 0.000 1.029 291 K CB 0.028 32.574 32.500 0.076 0.000 0.814 291 K HN 0.384 nan 8.250 nan 0.000 0.503 292 G N 1.202 110.002 108.800 0.001 0.000 2.136 292 G HA2 -0.303 3.671 3.960 0.023 0.000 0.242 292 G HA3 -0.303 3.671 3.960 0.023 0.000 0.242 292 G C -0.033 174.818 174.900 -0.082 0.000 0.989 292 G CA 0.374 45.470 45.100 -0.005 0.000 0.682 292 G HN 0.477 nan 8.290 nan 0.000 0.522 293 S N -0.220 115.304 115.700 -0.293 0.000 2.565 293 S HA 0.592 5.075 4.470 0.023 0.000 0.276 293 S C 1.449 175.683 174.600 -0.610 0.000 1.326 293 S CA 1.069 59.060 58.200 -0.347 0.000 1.045 293 S CB 0.962 63.988 63.200 -0.291 0.000 0.918 293 S HN 1.239 nan 8.310 nan 0.000 0.505 294 T N 1.003 115.414 114.554 -0.238 0.000 3.200 294 T HA 0.270 4.634 4.350 0.023 0.000 0.284 294 T C -0.012 174.738 174.700 0.083 0.000 1.009 294 T CA -0.594 61.392 62.100 -0.190 0.000 0.907 294 T CB -0.325 68.494 68.868 -0.083 0.000 1.120 294 T HN 0.451 nan 8.240 nan 0.000 0.534 295 N N 1.346 120.166 118.700 0.201 0.000 2.439 295 N HA 0.378 5.132 4.740 0.023 0.000 0.249 295 N C 1.433 177.186 175.510 0.404 0.000 1.003 295 N CA -0.108 53.092 53.050 0.250 0.000 0.942 295 N CB 1.309 39.899 38.487 0.173 0.000 1.115 295 N HN 0.304 nan 8.380 nan 0.000 0.505 296 G N 3.207 112.182 108.800 0.291 0.000 2.470 296 G HA2 -0.234 3.740 3.960 0.023 0.000 0.220 296 G HA3 -0.234 3.740 3.960 0.023 0.000 0.220 296 G C 1.240 176.077 174.900 -0.104 0.000 1.121 296 G CA 0.246 45.404 45.100 0.097 0.000 0.766 296 G HN 0.597 nan 8.290 nan 0.000 0.553 297 N N 1.285 119.982 118.700 -0.005 0.000 2.309 297 N HA -0.082 4.672 4.740 0.023 0.000 0.182 297 N C 1.403 176.897 175.510 -0.026 0.000 1.018 297 N CA 1.099 54.122 53.050 -0.045 0.000 0.876 297 N CB -0.168 38.353 38.487 0.057 0.000 0.972 297 N HN 0.216 nan 8.380 nan 0.000 0.434 298 D N 0.812 121.245 120.400 0.054 0.000 2.178 298 D HA -0.045 4.609 4.640 0.023 0.000 0.201 298 D C 2.104 178.353 176.300 -0.085 0.000 0.980 298 D CA 0.393 54.437 54.000 0.073 0.000 0.842 298 D CB -0.045 40.925 40.800 0.284 0.000 0.948 298 D HN 0.265 nan 8.370 nan 0.000 0.472 299 L N -0.100 120.947 121.223 -0.293 0.000 2.102 299 L HA -0.005 4.349 4.340 0.023 0.000 0.202 299 L C 2.425 179.148 176.870 -0.244 0.000 1.076 299 L CA 0.370 54.963 54.840 -0.412 0.000 0.761 299 L CB -0.212 41.408 42.059 -0.731 0.000 0.921 299 L HN 0.009 nan 8.230 nan 0.000 0.444 300 L N -0.089 120.999 121.223 -0.226 0.000 2.079 300 L HA -0.226 4.127 4.340 0.023 0.000 0.210 300 L C 2.743 179.548 176.870 -0.109 0.000 1.081 300 L CA 1.208 55.945 54.840 -0.172 0.000 0.752 300 L CB -0.742 41.195 42.059 -0.204 0.000 0.896 300 L HN 0.262 nan 8.230 nan 0.000 0.433 301 A N -0.593 122.176 122.820 -0.086 0.000 2.121 301 A HA -0.124 4.210 4.320 0.023 0.000 0.218 301 A C 1.918 179.473 177.584 -0.048 0.000 1.154 301 A CA 1.184 53.193 52.037 -0.047 0.000 0.679 301 A CB -0.155 18.835 19.000 -0.018 0.000 0.795 301 A HN 0.241 nan 8.150 nan 0.000 0.458 302 K N 0.022 120.380 120.400 -0.070 0.000 2.410 302 K HA 0.093 4.427 4.320 0.023 0.000 0.200 302 K C -0.334 176.224 176.600 -0.070 0.000 1.023 302 K CA -0.199 56.049 56.287 -0.064 0.000 1.149 302 K CB 0.006 32.460 32.500 -0.076 0.000 0.859 302 K HN 0.458 nan 8.250 nan 0.000 0.514 303 N N 0.775 119.431 118.700 -0.073 0.000 2.735 303 N HA -0.142 4.612 4.740 0.023 0.000 0.248 303 N C -0.942 174.522 175.510 -0.077 0.000 1.083 303 N CA 0.550 53.560 53.050 -0.067 0.000 0.703 303 N CB -1.472 36.986 38.487 -0.048 0.000 1.005 303 N HN -0.036 nan 8.380 nan 0.000 0.550 304 V N 0.790 120.639 119.914 -0.107 0.000 2.384 304 V HA 0.311 4.445 4.120 0.023 0.000 0.287 304 V C 1.262 177.271 176.094 -0.141 0.000 1.020 304 V CA -0.466 61.765 62.300 -0.115 0.000 0.850 304 V CB 1.954 33.694 31.823 -0.138 0.000 0.987 304 V HN 0.152 nan 8.190 nan 0.000 0.436 305 R N 3.549 123.978 120.500 -0.118 0.000 2.472 305 R HA 0.262 4.616 4.340 0.023 0.000 0.279 305 R C 1.797 178.002 176.300 -0.159 0.000 0.953 305 R CA 0.004 56.028 56.100 -0.128 0.000 1.088 305 R CB 0.270 30.512 30.300 -0.096 0.000 1.197 305 R HN 0.880 nan 8.270 nan 0.000 0.536 306 I N -2.243 118.209 120.570 -0.197 0.000 2.335 306 I HA -0.152 4.032 4.170 0.023 0.000 0.251 306 I C 0.907 176.736 176.117 -0.480 0.000 1.129 306 I CA 1.522 62.614 61.300 -0.346 0.000 1.402 306 I CB -0.139 37.618 38.000 -0.406 0.000 1.069 306 I HN 0.128 nan 8.210 nan 0.000 0.424 307 W N 1.621 122.793 121.300 -0.213 0.000 3.278 307 W HA 0.195 4.869 4.660 0.023 0.000 0.308 307 W C 2.364 178.816 176.519 -0.113 0.000 1.253 307 W CA -0.014 57.237 57.345 -0.158 0.000 1.759 307 W CB 0.178 29.510 29.460 -0.213 0.000 1.093 307 W HN 0.239 nan 8.180 nan 0.000 0.648 308 E N 0.850 121.052 120.200 0.003 0.000 2.072 308 E HA -0.198 4.166 4.350 0.023 0.000 0.191 308 E C 1.851 178.511 176.600 0.099 0.000 0.985 308 E CA 1.261 57.694 56.400 0.055 0.000 0.801 308 E CB -0.266 29.420 29.700 -0.024 0.000 0.750 308 E HN 0.274 nan 8.360 nan 0.000 0.452 309 L N 0.596 121.790 121.223 -0.047 0.000 2.141 309 L HA -0.126 4.227 4.340 0.023 0.000 0.209 309 L C 1.731 178.428 176.870 -0.289 0.000 1.094 309 L CA 1.203 55.975 54.840 -0.112 0.000 0.763 309 L CB -0.295 41.675 42.059 -0.149 0.000 0.908 309 L HN 0.159 nan 8.230 nan 0.000 0.437 310 N N -0.480 118.006 118.700 -0.357 0.000 2.515 310 N HA -0.041 4.713 4.740 0.023 0.000 0.185 310 N C 1.467 176.868 175.510 -0.181 0.000 1.109 310 N CA 0.735 53.369 53.050 -0.693 0.000 0.903 310 N CB 0.171 38.455 38.487 -0.339 0.000 0.969 310 N HN 0.255 nan 8.380 nan 0.000 0.450 311 G N -0.367 108.485 108.800 0.087 0.000 3.192 311 G HA2 0.055 4.029 3.960 0.023 0.000 0.239 311 G HA3 0.055 4.029 3.960 0.023 0.000 0.239 311 G C 0.430 175.305 174.900 -0.043 0.000 1.084 311 G CA -0.420 44.779 45.100 0.165 0.000 0.784 311 G HN 0.081 nan 8.290 nan 0.000 0.540 312 R N 0.267 120.774 120.500 0.011 0.000 2.643 312 R HA 0.301 4.655 4.340 0.023 0.000 0.270 312 R C 1.947 178.274 176.300 0.046 0.000 1.061 312 R CA -0.312 55.768 56.100 -0.034 0.000 1.107 312 R CB 0.561 30.898 30.300 0.061 0.000 0.999 312 R HN 0.109 nan 8.270 nan 0.000 0.460 313 R N 2.240 122.734 120.500 -0.010 0.000 2.113 313 R HA -0.233 4.121 4.340 0.023 0.000 0.244 313 R C 1.189 177.536 176.300 0.079 0.000 1.142 313 R CA 2.701 58.818 56.100 0.028 0.000 0.953 313 R CB -0.478 29.828 30.300 0.011 0.000 0.860 313 R HN 0.903 nan 8.270 nan 0.000 0.438 314 D N -0.685 119.770 120.400 0.091 0.000 2.144 314 D HA -0.202 4.452 4.640 0.023 0.000 0.200 314 D C 1.927 178.304 176.300 0.129 0.000 0.978 314 D CA 1.167 55.223 54.000 0.093 0.000 0.833 314 D CB -0.868 39.980 40.800 0.080 0.000 0.961 314 D HN 0.392 nan 8.370 nan 0.000 0.470 315 F N 1.201 121.179 119.950 0.045 0.000 2.102 315 F HA -0.029 4.512 4.527 0.023 0.000 0.298 315 F C 2.166 178.039 175.800 0.122 0.000 1.105 315 F CA 1.150 59.194 58.000 0.073 0.000 1.239 315 F CB -0.159 38.884 39.000 0.072 0.000 0.991 315 F HN -0.122 nan 8.300 nan 0.000 0.474 316 L N 0.036 121.417 121.223 0.262 0.000 1.989 316 L HA -0.268 4.086 4.340 0.023 0.000 0.211 316 L C 2.284 179.240 176.870 0.143 0.000 1.071 316 L CA 1.673 56.662 54.840 0.248 0.000 0.749 316 L CB -1.022 41.169 42.059 0.220 0.000 0.890 316 L HN 0.112 nan 8.230 nan 0.000 0.431 317 D N 0.570 121.014 120.400 0.074 0.000 2.116 317 D HA -0.223 4.430 4.640 0.023 0.000 0.193 317 D C 2.071 178.341 176.300 -0.050 0.000 0.998 317 D CA 1.860 55.869 54.000 0.015 0.000 0.836 317 D CB -0.194 40.615 40.800 0.016 0.000 0.951 317 D HN 0.471 nan 8.370 nan 0.000 0.449 318 K N 0.199 120.552 120.400 -0.077 0.000 2.365 318 K HA 0.007 4.340 4.320 0.023 0.000 0.199 318 K C 1.054 177.544 176.600 -0.183 0.000 1.045 318 K CA 0.875 57.093 56.287 -0.116 0.000 0.962 318 K CB 0.086 32.527 32.500 -0.098 0.000 0.759 318 K HN -0.057 nan 8.250 nan 0.000 0.469 319 N N 0.664 119.225 118.700 -0.233 0.000 2.276 319 N HA 0.059 4.813 4.740 0.023 0.000 0.212 319 N C 0.346 175.590 175.510 -0.443 0.000 1.127 319 N CA 0.773 53.663 53.050 -0.266 0.000 0.834 319 N CB 1.165 39.527 38.487 -0.209 0.000 1.014 319 N HN 0.569 nan 8.380 nan 0.000 0.491 320 G N 0.870 109.474 108.800 -0.326 0.000 2.179 320 G HA2 -0.287 3.687 3.960 0.023 0.000 0.260 320 G HA3 -0.287 3.687 3.960 0.023 0.000 0.260 320 G C 0.018 174.674 174.900 -0.407 0.000 0.977 320 G CA -0.276 44.600 45.100 -0.373 0.000 0.641 320 G HN 0.325 nan 8.290 nan 0.000 0.533 321 F N 2.586 122.502 119.950 -0.056 0.000 2.733 321 F HA 0.328 4.869 4.527 0.023 0.000 0.344 321 F C 2.115 177.907 175.800 -0.015 0.000 1.179 321 F CA 0.604 58.587 58.000 -0.028 0.000 1.316 321 F CB -0.138 38.854 39.000 -0.013 0.000 1.577 321 F HN 0.161 nan 8.300 nan 0.000 0.591 322 T N -4.501 110.097 114.554 0.073 0.000 3.023 322 T HA -0.087 4.277 4.350 0.023 0.000 0.266 322 T C 1.235 175.972 174.700 0.061 0.000 1.093 322 T CA 0.832 62.962 62.100 0.050 0.000 1.129 322 T CB 0.008 68.880 68.868 0.006 0.000 0.899 322 T HN 0.213 nan 8.240 nan 0.000 0.491 323 D N 0.680 121.126 120.400 0.076 0.000 2.350 323 D HA 0.139 4.793 4.640 0.023 0.000 0.213 323 D C 0.741 177.095 176.300 0.090 0.000 1.031 323 D CA 0.087 54.130 54.000 0.071 0.000 0.861 323 D CB 0.185 41.022 40.800 0.062 0.000 0.926 323 D HN 0.238 nan 8.370 nan 0.000 0.520 324 R N 1.884 122.458 120.500 0.122 0.000 2.340 324 R HA 0.112 4.465 4.340 0.023 0.000 0.300 324 R C -0.024 176.320 176.300 0.073 0.000 1.069 324 R CA -0.312 55.852 56.100 0.107 0.000 0.984 324 R CB 0.461 30.837 30.300 0.126 0.000 1.003 324 R HN -0.090 nan 8.270 nan 0.000 0.459 325 E N 2.449 122.688 120.200 0.064 0.000 2.415 325 E HA -0.092 4.271 4.350 0.023 0.000 0.262 325 E C -0.762 175.856 176.600 0.029 0.000 1.038 325 E CA -0.048 56.389 56.400 0.061 0.000 0.921 325 E CB 0.573 30.331 29.700 0.097 0.000 0.950 325 E HN 0.620 nan 8.360 nan 0.000 0.438 326 E N 2.448 122.645 120.200 -0.005 0.000 2.414 326 E HA -0.152 4.211 4.350 0.023 0.000 0.263 326 E C -0.458 176.069 176.600 -0.122 0.000 1.000 326 E CA 0.068 56.383 56.400 -0.142 0.000 0.914 326 E CB 0.188 29.767 29.700 -0.202 0.000 0.948 326 E HN 0.667 nan 8.360 nan 0.000 0.444 327 H N 1.193 120.309 119.070 0.077 0.000 3.641 327 H HA -0.205 4.365 4.556 0.023 0.000 0.193 327 H C -0.442 174.924 175.328 0.063 0.000 1.013 327 H CA 1.187 57.282 56.048 0.077 0.000 1.212 327 H CB -1.374 28.435 29.762 0.077 0.000 1.089 327 H HN 0.566 nan 8.280 nan 0.000 0.339 328 D N 1.362 121.820 120.400 0.096 0.000 2.402 328 D HA 0.152 4.806 4.640 0.023 0.000 0.235 328 D C 1.321 177.613 176.300 -0.015 0.000 1.226 328 D CA -0.242 53.785 54.000 0.046 0.000 0.918 328 D CB 0.100 40.910 40.800 0.017 0.000 1.043 328 D HN 0.345 nan 8.370 nan 0.000 0.506 329 L N 3.083 124.296 121.223 -0.016 0.000 2.552 329 L HA 0.173 4.527 4.340 0.023 0.000 0.227 329 L C 1.614 178.295 176.870 -0.316 0.000 1.146 329 L CA 0.458 55.235 54.840 -0.106 0.000 0.858 329 L CB -0.650 41.386 42.059 -0.038 0.000 0.969 329 L HN 0.659 nan 8.230 nan 0.000 0.451 330 G N 0.552 109.119 108.800 -0.388 0.000 2.660 330 G HA2 -0.198 3.776 3.960 0.023 0.000 0.215 330 G HA3 -0.198 3.776 3.960 0.023 0.000 0.215 330 G C -2.564 171.622 174.900 -1.190 0.000 1.345 330 G CA -0.452 44.127 45.100 -0.869 0.000 0.877 330 G HN 0.010 nan 8.290 nan 0.000 0.549 331 P HA 0.297 nan 4.420 nan 0.000 0.226 331 P C 0.892 177.880 177.300 -0.520 0.000 1.783 331 P CA -0.017 62.353 63.100 -1.216 0.000 0.980 331 P CB -0.922 30.023 31.700 -1.259 0.000 1.967 332 I N -2.701 117.589 120.570 -0.468 0.000 3.950 332 I HA 0.190 4.374 4.170 0.023 0.000 0.217 332 I C 1.670 177.565 176.117 -0.369 0.000 1.498 332 I CA -0.763 60.259 61.300 -0.464 0.000 0.801 332 I CB -0.556 37.146 38.000 -0.497 0.000 1.804 332 I HN -0.136 nan 8.210 nan 0.000 0.837 333 Y N 1.193 121.261 120.300 -0.387 0.000 2.002 333 Y HA -0.197 4.367 4.550 0.023 0.000 0.268 333 Y C 2.759 178.258 175.900 -0.668 0.000 1.177 333 Y CA 2.173 59.916 58.100 -0.595 0.000 1.111 333 Y CB -1.610 36.170 38.460 -1.133 0.000 0.952 333 Y HN 0.691 nan 8.280 nan 0.000 0.491 334 G N -0.603 107.927 108.800 -0.451 0.000 2.469 334 G HA2 -0.346 3.627 3.960 0.023 0.000 0.219 334 G HA3 -0.346 3.627 3.960 0.023 0.000 0.219 334 G C 1.607 176.478 174.900 -0.048 0.000 1.150 334 G CA 1.177 46.080 45.100 -0.329 0.000 0.763 334 G HN 0.448 nan 8.290 nan 0.000 0.561 335 F N 1.101 120.952 119.950 -0.165 0.000 2.146 335 F HA -0.041 4.500 4.527 0.023 0.000 0.298 335 F C 2.895 178.705 175.800 0.017 0.000 1.096 335 F CA 1.783 59.751 58.000 -0.053 0.000 1.275 335 F CB 0.022 38.933 39.000 -0.149 0.000 1.008 335 F HN 0.076 nan 8.300 nan 0.000 0.480 336 Q N -0.482 119.372 119.800 0.091 0.000 2.119 336 Q HA -0.186 4.168 4.340 0.023 0.000 0.201 336 Q C 2.074 178.248 176.000 0.290 0.000 0.972 336 Q CA 1.462 57.343 55.803 0.130 0.000 0.847 336 Q CB -1.072 27.791 28.738 0.210 0.000 0.903 336 Q HN 0.527 nan 8.270 nan 0.000 0.433 337 W N 1.435 122.752 121.300 0.028 0.000 2.338 337 W HA -0.142 4.531 4.660 0.023 0.000 0.304 337 W C 1.953 178.427 176.519 -0.075 0.000 1.212 337 W CA 0.978 58.342 57.345 0.032 0.000 1.264 337 W CB -0.223 29.292 29.460 0.091 0.000 1.142 337 W HN 0.155 nan 8.180 nan 0.000 0.512 338 R N -2.123 118.397 120.500 0.034 0.000 2.307 338 R HA 0.107 4.461 4.340 0.023 0.000 0.200 338 R C 0.356 176.266 176.300 -0.651 0.000 0.893 338 R CA 0.639 56.554 56.100 -0.309 0.000 1.042 338 R CB -0.375 29.676 30.300 -0.415 0.000 1.059 338 R HN 0.293 nan 8.270 nan 0.000 0.530 339 H N -1.133 117.785 119.070 -0.253 0.000 3.038 339 H HA 0.140 4.709 4.556 0.023 0.000 0.238 339 H C -0.669 174.359 175.328 -0.501 0.000 1.246 339 H CA -0.773 55.012 56.048 -0.439 0.000 0.966 339 H CB -0.308 29.001 29.762 -0.754 0.000 2.394 339 H HN -0.032 nan 8.280 nan 0.000 0.633 340 F N 2.071 121.849 119.950 -0.287 0.000 2.593 340 F HA 0.190 4.730 4.527 0.023 0.000 0.393 340 F C 1.462 177.201 175.800 -0.101 0.000 1.037 340 F CA 2.119 60.016 58.000 -0.172 0.000 1.195 340 F CB 0.418 39.372 39.000 -0.076 0.000 1.034 340 F HN 0.530 nan 8.300 nan 0.000 0.552 341 G N 3.360 112.109 108.800 -0.085 0.000 2.234 341 G HA2 -0.194 3.780 3.960 0.023 0.000 0.235 341 G HA3 -0.194 3.780 3.960 0.023 0.000 0.235 341 G C 0.305 175.255 174.900 0.082 0.000 0.997 341 G CA -0.150 44.999 45.100 0.081 0.000 0.623 341 G HN 1.300 nan 8.290 nan 0.000 0.514 342 A N 0.401 123.252 122.820 0.051 0.000 2.466 342 A HA 0.497 4.831 4.320 0.023 0.000 0.238 342 A C 0.565 178.331 177.584 0.304 0.000 1.074 342 A CA 0.811 52.939 52.037 0.151 0.000 0.774 342 A CB 0.246 19.295 19.000 0.081 0.000 1.015 342 A HN 0.579 nan 8.150 nan 0.000 0.498 343 E N 0.769 121.126 120.200 0.262 0.000 2.180 343 E HA 0.156 4.520 4.350 0.023 0.000 0.283 343 E C -1.376 175.381 176.600 0.262 0.000 1.061 343 E CA -0.187 56.345 56.400 0.219 0.000 0.861 343 E CB 0.323 30.109 29.700 0.143 0.000 1.056 343 E HN 0.556 nan 8.360 nan 0.000 0.407 344 Y N 5.491 125.763 120.300 -0.047 0.000 2.436 344 Y HA 0.063 4.626 4.550 0.023 0.000 0.336 344 Y C 0.290 176.162 175.900 -0.048 0.000 1.049 344 Y CA 0.167 58.089 58.100 -0.296 0.000 1.294 344 Y CB 0.443 38.448 38.460 -0.758 0.000 1.179 344 Y HN 0.589 nan 8.280 nan 0.000 0.520 345 L N 3.378 124.450 121.223 -0.251 0.000 2.370 345 L HA 0.220 4.574 4.340 0.023 0.000 0.191 345 L C -0.006 176.666 176.870 -0.331 0.000 1.203 345 L CA 0.335 55.065 54.840 -0.183 0.000 0.825 345 L CB -0.122 41.859 42.059 -0.130 0.000 1.048 345 L HN 0.633 nan 8.230 nan 0.000 0.487 346 D N -1.812 118.299 120.400 -0.481 0.000 2.752 346 D HA 0.150 4.803 4.640 0.023 0.000 0.313 346 D C 0.373 176.386 176.300 -0.477 0.000 1.225 346 D CA -0.657 53.083 54.000 -0.433 0.000 0.976 346 D CB 0.394 41.122 40.800 -0.121 0.000 1.443 346 D HN 0.211 nan 8.370 nan 0.000 0.515 347 M N -0.789 118.642 119.600 -0.282 0.000 2.686 347 M HA 0.115 4.609 4.480 0.023 0.000 0.246 347 M C -0.041 176.119 176.300 -0.233 0.000 1.096 347 M CA 0.953 56.143 55.300 -0.183 0.000 1.076 347 M CB -0.261 32.247 32.600 -0.153 0.000 1.504 347 M HN 0.277 nan 8.290 nan 0.000 0.524 348 H N 0.657 119.700 119.070 -0.044 0.000 2.648 348 H HA 0.461 5.031 4.556 0.023 0.000 0.265 348 H C 0.801 176.032 175.328 -0.162 0.000 0.961 348 H CA 0.297 56.307 56.048 -0.063 0.000 1.185 348 H CB -0.094 29.636 29.762 -0.054 0.000 1.449 348 H HN 0.498 nan 8.280 nan 0.000 0.523 349 A N 1.571 124.262 122.820 -0.216 0.000 2.466 349 A HA 0.027 4.361 4.320 0.023 0.000 0.238 349 A C 0.065 177.261 177.584 -0.647 0.000 1.074 349 A CA -0.174 51.559 52.037 -0.506 0.000 0.774 349 A CB 0.126 18.646 19.000 -0.801 0.000 1.015 349 A HN 0.153 nan 8.150 nan 0.000 0.498 350 D N 0.434 120.528 120.400 -0.510 0.000 2.316 350 D HA 0.309 4.963 4.640 0.023 0.000 0.245 350 D C -0.583 175.412 176.300 -0.509 0.000 1.171 350 D CA 0.253 54.039 54.000 -0.356 0.000 0.856 350 D CB 0.149 40.839 40.800 -0.182 0.000 1.090 350 D HN 0.395 nan 8.370 nan 0.000 0.476 351 Y N 1.462 121.666 120.300 -0.161 0.000 2.607 351 Y HA 0.172 4.736 4.550 0.023 0.000 0.266 351 Y C 0.914 176.663 175.900 -0.250 0.000 1.178 351 Y CA -0.430 57.473 58.100 -0.329 0.000 1.226 351 Y CB 0.064 38.085 38.460 -0.732 0.000 1.144 351 Y HN 0.185 nan 8.280 nan 0.000 0.528 352 T N 0.795 115.370 114.554 0.036 0.000 2.871 352 T HA 0.258 4.622 4.350 0.023 0.000 0.296 352 T C 1.349 176.123 174.700 0.123 0.000 0.998 352 T CA 1.193 63.371 62.100 0.130 0.000 1.162 352 T CB 0.266 69.179 68.868 0.075 0.000 0.947 352 T HN 0.739 nan 8.240 nan 0.000 0.536 353 G N 3.065 111.967 108.800 0.169 0.000 2.166 353 G HA2 -0.277 3.697 3.960 0.023 0.000 0.260 353 G HA3 -0.277 3.697 3.960 0.023 0.000 0.260 353 G C 0.059 175.038 174.900 0.132 0.000 0.986 353 G CA 0.313 45.488 45.100 0.125 0.000 0.683 353 G HN 0.681 nan 8.290 nan 0.000 0.527 354 K N 0.130 120.639 120.400 0.182 0.000 2.156 354 K HA 0.607 4.941 4.320 0.023 0.000 0.254 354 K C 0.893 177.613 176.600 0.200 0.000 0.950 354 K CA -0.182 56.201 56.287 0.160 0.000 0.849 354 K CB 1.740 34.329 32.500 0.149 0.000 1.100 354 K HN 1.274 nan 8.250 nan 0.000 0.434 355 G N 1.701 110.576 108.800 0.125 0.000 2.804 355 G HA2 -0.266 3.708 3.960 0.023 0.000 0.230 355 G HA3 -0.266 3.708 3.960 0.023 0.000 0.230 355 G C -0.527 174.423 174.900 0.082 0.000 1.386 355 G CA -0.825 44.331 45.100 0.094 0.000 0.875 355 G HN 0.536 nan 8.290 nan 0.000 0.557 356 I N 0.598 121.210 120.570 0.070 0.000 2.359 356 I HA 0.247 4.431 4.170 0.023 0.000 0.294 356 I C -0.153 175.947 176.117 -0.028 0.000 0.987 356 I CA -0.403 60.909 61.300 0.020 0.000 1.225 356 I CB 1.700 39.700 38.000 0.001 0.000 1.366 356 I HN 0.475 nan 8.210 nan 0.000 0.466 357 D N 6.328 126.693 120.400 -0.058 0.000 2.517 357 D HA 0.079 4.733 4.640 0.023 0.000 0.220 357 D C 1.031 177.287 176.300 -0.073 0.000 1.158 357 D CA 0.101 54.044 54.000 -0.095 0.000 0.992 357 D CB 0.607 41.351 40.800 -0.094 0.000 1.058 357 D HN 0.510 nan 8.370 nan 0.000 0.516 358 Q N 1.139 120.895 119.800 -0.073 0.000 2.077 358 Q HA -0.209 4.144 4.340 0.023 0.000 0.206 358 Q C 1.802 177.735 176.000 -0.111 0.000 0.989 358 Q CA 1.111 56.843 55.803 -0.119 0.000 0.853 358 Q CB 0.096 28.736 28.738 -0.163 0.000 0.907 358 Q HN 0.429 nan 8.270 nan 0.000 0.418 359 L N 0.634 121.817 121.223 -0.067 0.000 2.017 359 L HA -0.161 4.193 4.340 0.023 0.000 0.208 359 L C 2.207 179.062 176.870 -0.024 0.000 1.073 359 L CA 2.177 56.994 54.840 -0.037 0.000 0.745 359 L CB -0.767 41.331 42.059 0.065 0.000 0.894 359 L HN 0.140 nan 8.230 nan 0.000 0.432 360 A N -0.998 121.809 122.820 -0.021 0.000 1.902 360 A HA -0.207 4.127 4.320 0.023 0.000 0.217 360 A C 2.176 179.737 177.584 -0.038 0.000 1.181 360 A CA 1.764 53.787 52.037 -0.023 0.000 0.623 360 A CB -0.618 18.370 19.000 -0.020 0.000 0.818 360 A HN 0.616 nan 8.150 nan 0.000 0.443 361 E N -0.401 119.769 120.200 -0.052 0.000 2.077 361 E HA -0.152 4.212 4.350 0.023 0.000 0.193 361 E C 1.903 178.467 176.600 -0.060 0.000 0.989 361 E CA 1.118 57.484 56.400 -0.057 0.000 0.800 361 E CB -0.224 29.434 29.700 -0.070 0.000 0.746 361 E HN 0.527 nan 8.360 nan 0.000 0.452 362 I N 1.038 121.567 120.570 -0.068 0.000 2.252 362 I HA -0.217 3.967 4.170 0.023 0.000 0.245 362 I C 2.427 178.504 176.117 -0.066 0.000 1.102 362 I CA 1.138 62.407 61.300 -0.052 0.000 1.385 362 I CB -0.880 37.106 38.000 -0.023 0.000 1.064 362 I HN 0.124 nan 8.210 nan 0.000 0.414 363 I N 0.920 121.443 120.570 -0.079 0.000 2.286 363 I HA -0.324 3.860 4.170 0.023 0.000 0.248 363 I C 2.267 178.339 176.117 -0.075 0.000 1.115 363 I CA 1.499 62.737 61.300 -0.103 0.000 1.392 363 I CB -0.403 37.553 38.000 -0.074 0.000 1.065 363 I HN 0.271 nan 8.210 nan 0.000 0.418 364 N N 0.624 119.291 118.700 -0.055 0.000 2.216 364 N HA -0.168 4.586 4.740 0.023 0.000 0.183 364 N C 1.993 177.476 175.510 -0.045 0.000 1.017 364 N CA 1.004 54.028 53.050 -0.045 0.000 0.861 364 N CB -0.048 38.418 38.487 -0.035 0.000 0.986 364 N HN 0.095 nan 8.380 nan 0.000 0.428 365 R N 0.087 120.559 120.500 -0.047 0.000 2.115 365 R HA 0.025 4.379 4.340 0.023 0.000 0.230 365 R C 1.908 178.181 176.300 -0.045 0.000 1.111 365 R CA 0.892 56.967 56.100 -0.042 0.000 0.976 365 R CB -0.196 30.081 30.300 -0.038 0.000 0.870 365 R HN 0.311 nan 8.270 nan 0.000 0.445 366 I N 0.826 121.360 120.570 -0.060 0.000 2.286 366 I HA -0.304 3.880 4.170 0.023 0.000 0.248 366 I C 2.106 178.186 176.117 -0.063 0.000 1.115 366 I CA 1.489 62.746 61.300 -0.072 0.000 1.392 366 I CB -0.106 37.819 38.000 -0.125 0.000 1.065 366 I HN 0.153 nan 8.210 nan 0.000 0.418 367 K N 0.014 120.379 120.400 -0.058 0.000 2.057 367 K HA -0.135 4.199 4.320 0.023 0.000 0.206 367 K C 2.129 178.706 176.600 -0.038 0.000 1.050 367 K CA 2.035 58.295 56.287 -0.046 0.000 0.935 367 K CB -0.253 32.222 32.500 -0.041 0.000 0.715 367 K HN 0.469 nan 8.250 nan 0.000 0.439 368 T N -2.175 112.358 114.554 -0.035 0.000 3.031 368 T HA 0.019 4.383 4.350 0.023 0.000 0.254 368 T C 0.793 175.475 174.700 -0.029 0.000 1.060 368 T CA 0.357 62.440 62.100 -0.029 0.000 1.135 368 T CB 0.136 68.988 68.868 -0.026 0.000 0.896 368 T HN -0.078 nan 8.240 nan 0.000 0.472 369 N N 1.881 120.562 118.700 -0.032 0.000 2.726 369 N HA 0.339 5.093 4.740 0.023 0.000 0.253 369 N C -2.316 173.172 175.510 -0.038 0.000 1.530 369 N CA -2.128 50.903 53.050 -0.031 0.000 0.772 369 N CB 1.617 40.089 38.487 -0.026 0.000 1.220 369 N HN 0.026 nan 8.380 nan 0.000 0.508 370 P HA -0.064 nan 4.420 nan 0.000 0.219 370 P C 0.230 177.481 177.300 -0.083 0.000 1.146 370 P CA 0.989 64.050 63.100 -0.064 0.000 0.808 370 P CB 0.451 32.109 31.700 -0.070 0.000 0.779 371 N N 0.051 118.710 118.700 -0.069 0.000 2.383 371 N HA -0.019 4.735 4.740 0.023 0.000 0.192 371 N C 0.559 176.047 175.510 -0.035 0.000 1.141 371 N CA 0.273 53.281 53.050 -0.070 0.000 0.851 371 N CB -0.360 38.096 38.487 -0.053 0.000 0.976 371 N HN 0.342 nan 8.380 nan 0.000 0.465 372 D N 0.911 121.296 120.400 -0.025 0.000 2.423 372 D HA 0.006 4.660 4.640 0.023 0.000 0.238 372 D C 0.297 176.607 176.300 0.016 0.000 1.142 372 D CA 0.117 54.114 54.000 -0.006 0.000 0.884 372 D CB 0.984 41.778 40.800 -0.010 0.000 1.199 372 D HN 0.069 nan 8.370 nan 0.000 0.438 373 R N 2.330 122.848 120.500 0.029 0.000 2.552 373 R HA 0.141 4.495 4.340 0.023 0.000 0.314 373 R C 0.186 176.515 176.300 0.049 0.000 1.041 373 R CA -0.161 55.976 56.100 0.060 0.000 1.076 373 R CB 0.527 30.867 30.300 0.067 0.000 1.290 373 R HN 0.140 nan 8.270 nan 0.000 0.563 374 R N 0.412 120.925 120.500 0.022 0.000 2.748 374 R HA 0.237 4.591 4.340 0.023 0.000 0.395 374 R C -0.391 175.886 176.300 -0.038 0.000 1.128 374 R CA -0.074 56.023 56.100 -0.006 0.000 1.042 374 R CB 0.437 30.725 30.300 -0.019 0.000 1.392 374 R HN 0.010 nan 8.270 nan 0.000 0.582 375 L N 1.511 122.731 121.223 -0.005 0.000 2.437 375 L HA 0.341 4.694 4.340 0.023 0.000 0.243 375 L C -0.319 176.495 176.870 -0.094 0.000 1.346 375 L CA 0.263 55.109 54.840 0.009 0.000 1.233 375 L CB -0.346 41.792 42.059 0.131 0.000 1.436 375 L HN 0.156 nan 8.230 nan 0.000 0.416 376 I N 0.549 120.970 120.570 -0.248 0.000 2.509 376 I HA 0.383 4.567 4.170 0.023 0.000 0.293 376 I C -0.458 175.269 176.117 -0.649 0.000 1.020 376 I CA -0.783 60.197 61.300 -0.533 0.000 1.088 376 I CB 2.666 40.332 38.000 -0.556 0.000 1.267 376 I HN -0.119 nan 8.210 nan 0.000 0.430 377 V N 5.243 124.532 119.914 -1.041 0.000 2.384 377 V HA 0.291 4.425 4.120 0.023 0.000 0.287 377 V C -0.610 174.974 176.094 -0.851 0.000 1.020 377 V CA -0.537 61.160 62.300 -1.003 0.000 0.850 377 V CB 1.616 32.551 31.823 -1.480 0.000 0.987 377 V HN 0.849 nan 8.190 nan 0.000 0.436 378 C N 4.119 123.180 119.300 -0.398 0.000 2.301 378 C HA 0.540 5.014 4.460 0.023 0.000 0.323 378 C C 1.398 176.561 174.990 0.289 0.000 1.265 378 C CA -0.147 58.837 59.018 -0.057 0.000 1.503 378 C CB 0.890 28.643 27.740 0.021 0.000 2.195 378 C HN 0.940 nan 8.230 nan 0.000 0.477 379 S N 3.750 119.700 115.700 0.417 0.000 2.556 379 S HA 0.098 4.582 4.470 0.023 0.000 0.216 379 S C 0.472 175.278 174.600 0.343 0.000 0.970 379 S CA -0.313 58.136 58.200 0.414 0.000 0.912 379 S CB 0.040 63.490 63.200 0.417 0.000 0.790 379 S HN 0.899 nan 8.310 nan 0.000 0.504 380 W N 4.467 125.914 121.300 0.245 0.000 1.518 380 W HA 0.275 4.949 4.660 0.023 0.000 0.426 380 W C -0.323 176.312 176.519 0.194 0.000 0.675 380 W CA -0.636 56.812 57.345 0.172 0.000 1.936 380 W CB -0.483 29.080 29.460 0.172 0.000 1.749 380 W HN 0.103 nan 8.180 nan 0.000 0.247 381 N N 2.404 121.074 118.700 -0.050 0.000 2.415 381 N HA -0.007 4.747 4.740 0.023 0.000 0.250 381 N C 0.847 176.166 175.510 -0.319 0.000 1.127 381 N CA 0.181 53.112 53.050 -0.198 0.000 0.945 381 N CB 1.085 39.151 38.487 -0.702 0.000 1.196 381 N HN 0.086 nan 8.380 nan 0.000 0.499 382 V N 2.892 122.698 119.914 -0.180 0.000 2.392 382 V HA -0.215 3.919 4.120 0.023 0.000 0.249 382 V C 2.109 178.102 176.094 -0.168 0.000 1.059 382 V CA 1.669 63.847 62.300 -0.204 0.000 1.051 382 V CB -0.615 31.216 31.823 0.014 0.000 0.658 382 V HN 0.611 nan 8.190 nan 0.000 0.455 383 S N -0.170 115.458 115.700 -0.120 0.000 2.419 383 S HA -0.203 4.281 4.470 0.023 0.000 0.235 383 S C 1.555 176.067 174.600 -0.147 0.000 1.019 383 S CA 1.573 59.710 58.200 -0.104 0.000 0.982 383 S CB -0.279 62.878 63.200 -0.072 0.000 0.789 383 S HN 0.620 nan 8.310 nan 0.000 0.490 384 D N 0.423 120.688 120.400 -0.226 0.000 2.379 384 D HA 0.239 4.893 4.640 0.023 0.000 0.208 384 D C 1.663 177.801 176.300 -0.270 0.000 1.065 384 D CA -0.019 53.837 54.000 -0.241 0.000 0.848 384 D CB -0.072 40.562 40.800 -0.278 0.000 0.949 384 D HN 0.269 nan 8.370 nan 0.000 0.509 385 L N 0.725 121.760 121.223 -0.314 0.000 2.021 385 L HA -0.230 4.124 4.340 0.023 0.000 0.215 385 L C 2.132 178.908 176.870 -0.157 0.000 1.074 385 L CA 1.387 56.028 54.840 -0.332 0.000 0.760 385 L CB -0.370 41.443 42.059 -0.409 0.000 0.889 385 L HN -0.024 nan 8.230 nan 0.000 0.433 386 K N 0.109 120.454 120.400 -0.092 0.000 2.360 386 K HA -0.172 4.162 4.320 0.023 0.000 0.201 386 K C 1.819 178.493 176.600 0.125 0.000 1.046 386 K CA 1.051 57.340 56.287 0.004 0.000 0.945 386 K CB -0.055 32.430 32.500 -0.025 0.000 0.750 386 K HN 0.314 nan 8.250 nan 0.000 0.464 387 K N -0.008 120.400 120.400 0.014 0.000 2.426 387 K HA 0.123 4.457 4.320 0.023 0.000 0.193 387 K C 0.426 176.896 176.600 -0.217 0.000 1.028 387 K CA 0.253 56.539 56.287 -0.001 0.000 1.047 387 K CB 0.283 32.677 32.500 -0.177 0.000 0.821 387 K HN 0.057 nan 8.250 nan 0.000 0.513 388 M N 0.174 119.660 119.600 -0.191 0.000 2.188 388 M HA 0.210 4.704 4.480 0.023 0.000 0.357 388 M C 1.034 177.166 176.300 -0.280 0.000 1.204 388 M CA -0.378 54.733 55.300 -0.314 0.000 1.095 388 M CB 1.637 34.078 32.600 -0.266 0.000 1.604 388 M HN 0.049 nan 8.290 nan 0.000 0.464 389 A N 3.615 126.219 122.820 -0.361 0.000 1.933 389 A HA 0.024 4.357 4.320 0.023 0.000 0.218 389 A C 0.592 178.325 177.584 0.249 0.000 1.175 389 A CA 1.393 53.350 52.037 -0.133 0.000 0.628 389 A CB 0.103 19.102 19.000 -0.002 0.000 0.814 389 A HN 0.627 nan 8.150 nan 0.000 0.444 390 L N -0.501 120.830 121.223 0.181 0.000 2.611 390 L HA 0.453 4.807 4.340 0.023 0.000 0.263 390 L C -2.936 174.022 176.870 0.145 0.000 0.969 390 L CA -1.863 53.143 54.840 0.277 0.000 0.894 390 L CB 1.789 44.110 42.059 0.437 0.000 1.229 390 L HN -0.145 nan 8.230 nan 0.000 0.416 391 P HA 0.133 nan 4.420 nan 0.000 0.265 391 P C -2.508 174.880 177.300 0.148 0.000 1.187 391 P CA -0.516 62.594 63.100 0.018 0.000 0.766 391 P CB -0.190 31.564 31.700 0.089 0.000 0.820 392 P HA -0.028 nan 4.420 nan 0.000 0.264 392 P C 0.360 177.878 177.300 0.363 0.000 1.193 392 P CA 0.326 63.369 63.100 -0.095 0.000 0.763 392 P CB 0.176 31.753 31.700 -0.205 0.000 0.810 393 C N 1.775 121.340 119.300 0.441 0.000 2.518 393 C HA -0.053 4.421 4.460 0.023 0.000 0.279 393 C C 1.206 176.465 174.990 0.448 0.000 1.279 393 C CA 0.542 59.822 59.018 0.437 0.000 1.703 393 C CB -1.882 26.144 27.740 0.476 0.000 2.072 393 C HN 0.677 nan 8.230 nan 0.000 0.487 394 H N -0.009 119.389 119.070 0.547 0.000 3.109 394 H HA 0.362 4.932 4.556 0.023 0.000 0.266 394 H C 0.751 176.444 175.328 0.608 0.000 1.334 394 H CA -0.213 56.105 56.048 0.452 0.000 1.456 394 H CB -0.285 29.671 29.762 0.323 0.000 1.587 394 H HN 0.529 nan 8.280 nan 0.000 0.500 395 C N 1.510 121.134 119.300 0.540 0.000 2.906 395 C HA 0.454 4.928 4.460 0.023 0.000 0.274 395 C C 0.006 175.365 174.990 0.615 0.000 1.257 395 C CA -0.818 58.530 59.018 0.550 0.000 1.695 395 C CB -1.618 26.416 27.740 0.490 0.000 1.958 395 C HN 0.740 nan 8.230 nan 0.000 0.619 396 F N 2.054 122.236 119.950 0.388 0.000 2.651 396 F HA 0.588 5.129 4.527 0.023 0.000 0.327 396 F C -1.561 174.409 175.800 0.284 0.000 1.133 396 F CA -1.588 56.548 58.000 0.226 0.000 1.076 396 F CB 0.894 39.949 39.000 0.092 0.000 1.315 396 F HN 0.200 nan 8.300 nan 0.000 0.499 397 F N 3.168 122.984 119.950 -0.223 0.000 2.626 397 F HA 0.764 5.305 4.527 0.023 0.000 0.311 397 F C -1.621 173.910 175.800 -0.448 0.000 1.088 397 F CA -0.940 56.928 58.000 -0.219 0.000 0.949 397 F CB 1.903 40.798 39.000 -0.175 0.000 1.322 397 F HN 0.620 nan 8.300 nan 0.000 0.461 398 Q N 2.006 121.664 119.800 -0.236 0.000 2.289 398 Q HA 0.499 4.853 4.340 0.023 0.000 0.270 398 Q C -2.202 173.670 176.000 -0.214 0.000 1.038 398 Q CA -0.560 55.080 55.803 -0.271 0.000 0.812 398 Q CB 2.123 30.832 28.738 -0.048 0.000 1.300 398 Q HN 0.701 nan 8.270 nan 0.000 0.427 399 F N 2.132 122.143 119.950 0.103 0.000 2.380 399 F HA 0.566 5.106 4.527 0.023 0.000 0.321 399 F C -0.400 175.527 175.800 0.211 0.000 1.103 399 F CA -0.281 57.815 58.000 0.160 0.000 1.067 399 F CB 0.973 40.036 39.000 0.106 0.000 1.265 399 F HN 0.523 nan 8.300 nan 0.000 0.517 400 Y N -0.020 120.453 120.300 0.289 0.000 2.519 400 Y HA 0.637 5.201 4.550 0.023 0.000 0.336 400 Y C -1.992 173.990 175.900 0.135 0.000 1.089 400 Y CA -1.055 57.143 58.100 0.163 0.000 1.025 400 Y CB 1.541 40.075 38.460 0.123 0.000 1.318 400 Y HN 0.323 nan 8.280 nan 0.000 0.452 401 V N 5.227 124.899 119.914 -0.402 0.000 2.531 401 V HA 0.774 4.908 4.120 0.023 0.000 0.301 401 V C -0.918 174.900 176.094 -0.460 0.000 1.034 401 V CA -0.193 61.950 62.300 -0.263 0.000 0.865 401 V CB 1.418 33.143 31.823 -0.163 0.000 0.995 401 V HN 0.822 nan 8.190 nan 0.000 0.424 402 S N 1.807 117.401 115.700 -0.177 0.000 2.550 402 S HA 0.576 5.060 4.470 0.023 0.000 0.270 402 S C -0.645 173.964 174.600 0.014 0.000 1.145 402 S CA -0.610 57.534 58.200 -0.094 0.000 0.852 402 S CB 2.071 65.263 63.200 -0.013 0.000 1.119 402 S HN 0.710 nan 8.310 nan 0.000 0.465 403 D N 1.657 122.064 120.400 0.012 0.000 2.811 403 D HA -0.152 4.502 4.640 0.023 0.000 0.231 403 D C -0.038 176.277 176.300 0.024 0.000 1.157 403 D CA 1.580 55.596 54.000 0.027 0.000 0.716 403 D CB -1.543 39.287 40.800 0.050 0.000 1.077 403 D HN 0.798 nan 8.370 nan 0.000 0.428 404 N N -1.362 117.341 118.700 0.006 0.000 2.741 404 N HA -0.226 4.528 4.740 0.023 0.000 0.250 404 N C -0.395 175.128 175.510 0.022 0.000 1.115 404 N CA 1.264 54.317 53.050 0.006 0.000 0.724 404 N CB -0.802 37.690 38.487 0.009 0.000 1.090 404 N HN 0.563 nan 8.380 nan 0.000 0.558 405 K N 0.242 120.665 120.400 0.038 0.000 2.324 405 K HA 0.473 4.807 4.320 0.023 0.000 0.253 405 K C -0.392 176.262 176.600 0.088 0.000 0.932 405 K CA -0.842 55.485 56.287 0.067 0.000 0.799 405 K CB 2.135 34.689 32.500 0.090 0.000 1.154 405 K HN -0.034 nan 8.250 nan 0.000 0.425 406 L N 1.938 123.219 121.223 0.096 0.000 2.265 406 L HA 0.306 4.660 4.340 0.023 0.000 0.288 406 L C -0.640 176.369 176.870 0.232 0.000 1.058 406 L CA 0.438 55.363 54.840 0.142 0.000 0.809 406 L CB 1.335 43.439 42.059 0.074 0.000 1.179 406 L HN 0.512 nan 8.230 nan 0.000 0.429 407 S N 3.381 119.277 115.700 0.328 0.000 2.681 407 S HA 0.662 5.146 4.470 0.023 0.000 0.299 407 S C -1.189 173.667 174.600 0.425 0.000 1.113 407 S CA -0.574 57.831 58.200 0.340 0.000 1.013 407 S CB 1.537 64.921 63.200 0.305 0.000 1.076 407 S HN 0.819 nan 8.310 nan 0.000 0.534 408 C N 3.352 122.872 119.300 0.366 0.000 2.609 408 C HA 0.748 5.221 4.460 0.023 0.000 0.313 408 C C -0.704 174.425 174.990 0.231 0.000 1.175 408 C CA -0.705 58.486 59.018 0.288 0.000 1.434 408 C CB 0.539 28.477 27.740 0.330 0.000 2.005 408 C HN 0.973 nan 8.230 nan 0.000 0.471 409 M N 7.601 127.269 119.600 0.113 0.000 2.243 409 M HA 0.580 5.074 4.480 0.023 0.000 0.324 409 M C -0.988 175.389 176.300 0.128 0.000 1.031 409 M CA -0.315 55.023 55.300 0.064 0.000 0.949 409 M CB 1.437 34.062 32.600 0.041 0.000 1.615 409 M HN 0.803 nan 8.290 nan 0.000 0.430 410 M N 4.348 124.002 119.600 0.090 0.000 2.456 410 M HA 0.322 4.815 4.480 0.023 0.000 0.324 410 M C -1.882 174.512 176.300 0.156 0.000 1.124 410 M CA -0.348 55.010 55.300 0.096 0.000 0.959 410 M CB 1.597 34.028 32.600 -0.283 0.000 1.692 410 M HN 0.929 nan 8.290 nan 0.000 0.444 411 H N 2.955 122.132 119.070 0.179 0.000 2.556 411 H HA 0.362 4.932 4.556 0.023 0.000 0.310 411 H C -1.161 174.271 175.328 0.174 0.000 1.057 411 H CA -0.090 56.040 56.048 0.138 0.000 1.264 411 H CB 0.958 30.771 29.762 0.085 0.000 1.404 411 H HN 0.686 nan 8.280 nan 0.000 0.462 412 Q N 5.139 124.916 119.800 -0.039 0.000 2.368 412 Q HA 0.161 4.515 4.340 0.023 0.000 0.263 412 Q C 0.947 176.962 176.000 0.023 0.000 1.009 412 Q CA -0.808 55.083 55.803 0.146 0.000 0.818 412 Q CB 0.746 29.643 28.738 0.264 0.000 1.239 412 Q HN 0.926 nan 8.270 nan 0.000 0.464 413 R N 1.278 121.886 120.500 0.179 0.000 2.115 413 R HA 0.034 4.388 4.340 0.023 0.000 0.230 413 R C 0.370 176.771 176.300 0.169 0.000 1.111 413 R CA 0.794 56.986 56.100 0.153 0.000 0.976 413 R CB 0.195 30.547 30.300 0.087 0.000 0.870 413 R HN 0.279 nan 8.270 nan 0.000 0.445 414 S N -0.339 115.489 115.700 0.214 0.000 2.614 414 S HA 0.436 4.920 4.470 0.023 0.000 0.275 414 S C -1.534 173.201 174.600 0.225 0.000 1.161 414 S CA -0.937 57.431 58.200 0.279 0.000 0.969 414 S CB 1.597 64.999 63.200 0.337 0.000 1.059 414 S HN 0.342 nan 8.310 nan 0.000 0.482 415 C N 4.009 123.323 119.300 0.025 0.000 2.386 415 C HA 0.463 4.937 4.460 0.023 0.000 0.318 415 C C -0.194 174.498 174.990 -0.498 0.000 1.128 415 C CA -1.244 57.704 59.018 -0.116 0.000 1.438 415 C CB 0.038 27.731 27.740 -0.079 0.000 1.987 415 C HN 0.882 nan 8.230 nan 0.000 0.426 416 D N 2.426 122.739 120.400 -0.144 0.000 2.398 416 D HA 0.101 4.755 4.640 0.023 0.000 0.250 416 D C 0.965 177.300 176.300 0.057 0.000 1.287 416 D CA 0.061 54.078 54.000 0.029 0.000 0.992 416 D CB 0.475 41.482 40.800 0.346 0.000 1.071 416 D HN 0.589 nan 8.370 nan 0.000 0.514 417 L N 2.992 124.200 121.223 -0.026 0.000 2.131 417 L HA -0.068 4.286 4.340 0.023 0.000 0.210 417 L C 2.425 179.415 176.870 0.201 0.000 1.092 417 L CA 1.291 56.169 54.840 0.063 0.000 0.759 417 L CB -0.159 41.846 42.059 -0.089 0.000 0.903 417 L HN 0.477 nan 8.230 nan 0.000 0.435 418 G N -0.426 108.501 108.800 0.211 0.000 2.404 418 G HA2 -0.152 3.822 3.960 0.023 0.000 0.215 418 G HA3 -0.152 3.822 3.960 0.023 0.000 0.215 418 G C 1.545 176.463 174.900 0.029 0.000 1.174 418 G CA 0.536 45.706 45.100 0.116 0.000 0.780 418 G HN 0.205 nan 8.290 nan 0.000 0.537 419 L N -0.568 120.691 121.223 0.061 0.000 2.356 419 L HA 0.261 4.615 4.340 0.023 0.000 0.193 419 L C 3.009 179.837 176.870 -0.070 0.000 1.087 419 L CA 0.876 55.685 54.840 -0.052 0.000 0.817 419 L CB -0.270 41.744 42.059 -0.075 0.000 1.035 419 L HN 0.316 nan 8.230 nan 0.000 0.482 420 G N -0.649 108.154 108.800 0.006 0.000 2.441 420 G HA2 -0.083 3.891 3.960 0.023 0.000 0.212 420 G HA3 -0.083 3.891 3.960 0.023 0.000 0.212 420 G C 1.541 176.542 174.900 0.168 0.000 1.164 420 G CA 0.484 45.599 45.100 0.026 0.000 0.811 420 G HN 0.072 nan 8.290 nan 0.000 0.535 421 V N 2.256 122.279 119.914 0.182 0.000 2.278 421 V HA -0.161 3.973 4.120 0.023 0.000 0.251 421 V C 0.320 176.511 176.094 0.162 0.000 1.062 421 V CA 2.466 64.905 62.300 0.231 0.000 1.038 421 V CB -1.189 30.777 31.823 0.237 0.000 0.646 421 V HN 0.281 nan 8.190 nan 0.000 0.447 422 P HA -0.155 nan 4.420 nan 0.000 0.218 422 P C 1.636 178.955 177.300 0.032 0.000 1.148 422 P CA 1.602 64.653 63.100 -0.083 0.000 0.822 422 P CB -0.113 31.540 31.700 -0.078 0.000 0.784 423 F N -0.147 119.752 119.950 -0.085 0.000 2.084 423 F HA -0.179 4.362 4.527 0.023 0.000 0.296 423 F C 2.079 177.830 175.800 -0.081 0.000 1.111 423 F CA 1.310 59.261 58.000 -0.081 0.000 1.224 423 F CB -0.854 38.123 39.000 -0.038 0.000 0.991 423 F HN -0.083 nan 8.300 nan 0.000 0.471 424 N N 0.709 119.524 118.700 0.192 0.000 2.104 424 N HA -0.206 4.548 4.740 0.023 0.000 0.190 424 N C 1.741 177.228 175.510 -0.039 0.000 1.024 424 N CA 1.563 54.669 53.050 0.094 0.000 0.853 424 N CB -0.295 38.301 38.487 0.181 0.000 1.008 424 N HN 0.204 nan 8.380 nan 0.000 0.424 425 I N 1.038 121.604 120.570 -0.006 0.000 2.127 425 I HA -0.290 3.894 4.170 0.023 0.000 0.241 425 I C 2.490 178.322 176.117 -0.476 0.000 1.075 425 I CA 1.219 62.432 61.300 -0.146 0.000 1.334 425 I CB -0.418 37.434 38.000 -0.247 0.000 1.040 425 I HN 0.200 nan 8.210 nan 0.000 0.405 426 A N -0.445 122.089 122.820 -0.476 0.000 1.930 426 A HA -0.212 4.122 4.320 0.023 0.000 0.217 426 A C 2.471 179.870 177.584 -0.309 0.000 1.175 426 A CA 1.995 53.704 52.037 -0.547 0.000 0.627 426 A CB -0.800 17.922 19.000 -0.462 0.000 0.815 426 A HN 0.399 nan 8.150 nan 0.000 0.443 427 S N -1.506 114.020 115.700 -0.289 0.000 2.359 427 S HA -0.217 4.267 4.470 0.023 0.000 0.223 427 S C 1.881 176.190 174.600 -0.486 0.000 1.039 427 S CA 1.860 59.878 58.200 -0.304 0.000 1.042 427 S CB -0.528 62.533 63.200 -0.231 0.000 0.915 427 S HN 0.619 nan 8.310 nan 0.000 0.439 428 Y N 1.527 121.467 120.300 -0.601 0.000 2.373 428 Y HA 0.080 4.643 4.550 0.023 0.000 0.293 428 Y C 2.922 178.384 175.900 -0.731 0.000 1.129 428 Y CA 1.085 58.698 58.100 -0.812 0.000 1.226 428 Y CB -0.311 37.342 38.460 -1.345 0.000 1.000 428 Y HN 0.255 nan 8.280 nan 0.000 0.549 429 S N -0.011 115.346 115.700 -0.571 0.000 2.383 429 S HA -0.135 4.349 4.470 0.023 0.000 0.227 429 S C 2.007 176.561 174.600 -0.076 0.000 1.026 429 S CA 1.233 59.268 58.200 -0.276 0.000 0.981 429 S CB -0.330 62.672 63.200 -0.331 0.000 0.818 429 S HN 0.377 nan 8.310 nan 0.000 0.472 430 I N 0.945 121.466 120.570 -0.081 0.000 2.286 430 I HA -0.135 4.049 4.170 0.023 0.000 0.245 430 I C 2.309 178.288 176.117 -0.229 0.000 1.104 430 I CA 0.720 61.925 61.300 -0.159 0.000 1.397 430 I CB -0.327 37.542 38.000 -0.217 0.000 1.072 430 I HN 0.240 nan 8.210 nan 0.000 0.417 431 L N 0.656 121.731 121.223 -0.247 0.000 2.012 431 L HA -0.203 4.151 4.340 0.023 0.000 0.210 431 L C 2.462 179.287 176.870 -0.076 0.000 1.073 431 L CA 2.167 56.888 54.840 -0.198 0.000 0.748 431 L CB -0.937 40.934 42.059 -0.313 0.000 0.891 431 L HN 0.150 nan 8.230 nan 0.000 0.431 432 T N -0.035 114.514 114.554 -0.009 0.000 2.708 432 T HA -0.174 4.190 4.350 0.023 0.000 0.266 432 T C 1.912 176.620 174.700 0.013 0.000 1.037 432 T CA 1.450 63.629 62.100 0.131 0.000 1.146 432 T CB -0.625 68.364 68.868 0.201 0.000 0.865 432 T HN 0.544 nan 8.240 nan 0.000 0.435 433 A N 1.254 124.049 122.820 -0.043 0.000 1.933 433 A HA -0.068 4.266 4.320 0.023 0.000 0.218 433 A C 2.339 179.855 177.584 -0.115 0.000 1.175 433 A CA 1.560 53.556 52.037 -0.069 0.000 0.628 433 A CB -0.684 18.258 19.000 -0.098 0.000 0.814 433 A HN 0.469 nan 8.150 nan 0.000 0.444 434 M N -0.828 118.641 119.600 -0.218 0.000 2.067 434 M HA -0.134 4.360 4.480 0.023 0.000 0.260 434 M C 2.119 178.394 176.300 -0.041 0.000 1.069 434 M CA 1.573 56.710 55.300 -0.272 0.000 1.117 434 M CB -0.508 31.788 32.600 -0.507 0.000 1.334 434 M HN 0.238 nan 8.290 nan 0.000 0.407 435 V N 0.514 120.372 119.914 -0.092 0.000 2.343 435 V HA -0.261 3.872 4.120 0.023 0.000 0.247 435 V C 2.658 178.677 176.094 -0.126 0.000 1.051 435 V CA 1.969 64.179 62.300 -0.149 0.000 1.036 435 V CB -1.379 30.207 31.823 -0.395 0.000 0.654 435 V HN 0.534 nan 8.190 nan 0.000 0.451 436 A N -0.471 122.292 122.820 -0.094 0.000 1.908 436 A HA -0.348 3.986 4.320 0.023 0.000 0.218 436 A C 2.280 179.856 177.584 -0.013 0.000 1.181 436 A CA 2.392 54.401 52.037 -0.048 0.000 0.627 436 A CB -0.561 18.433 19.000 -0.009 0.000 0.818 436 A HN 0.640 nan 8.150 nan 0.000 0.445 437 Q N 0.037 119.849 119.800 0.020 0.000 2.046 437 Q HA -0.126 4.228 4.340 0.023 0.000 0.200 437 Q C 1.957 177.988 176.000 0.050 0.000 0.975 437 Q CA 2.473 58.312 55.803 0.059 0.000 0.836 437 Q CB -0.368 28.455 28.738 0.140 0.000 0.896 437 Q HN 0.692 nan 8.270 nan 0.000 0.428 438 V N -1.645 118.308 119.914 0.065 0.000 2.913 438 V HA -0.108 4.025 4.120 0.023 0.000 0.260 438 V C 1.654 177.741 176.094 -0.011 0.000 1.098 438 V CA 1.336 63.652 62.300 0.027 0.000 1.121 438 V CB -0.605 31.242 31.823 0.041 0.000 0.714 438 V HN 0.482 nan 8.190 nan 0.000 0.487 439 C N 1.576 120.859 119.300 -0.028 0.000 2.693 439 C HA 0.650 5.124 4.460 0.023 0.000 0.286 439 C C 1.991 176.964 174.990 -0.029 0.000 1.277 439 C CA -0.011 58.982 59.018 -0.043 0.000 1.705 439 C CB -1.286 26.408 27.740 -0.076 0.000 1.879 439 C HN 0.978 nan 8.230 nan 0.000 0.607 440 G N 1.395 110.186 108.800 -0.015 0.000 2.225 440 G HA2 -0.262 3.712 3.960 0.023 0.000 0.267 440 G HA3 -0.262 3.712 3.960 0.023 0.000 0.267 440 G C -0.104 174.793 174.900 -0.006 0.000 1.024 440 G CA 0.241 45.337 45.100 -0.007 0.000 0.784 440 G HN 0.579 nan 8.290 nan 0.000 0.507 441 L N -0.232 120.986 121.223 -0.008 0.000 2.344 441 L HA 0.723 5.077 4.340 0.023 0.000 0.272 441 L C 1.459 178.336 176.870 0.012 0.000 1.035 441 L CA -0.615 54.224 54.840 -0.003 0.000 0.807 441 L CB 1.339 43.390 42.059 -0.014 0.000 1.237 441 L HN 0.194 nan 8.230 nan 0.000 0.442 442 G N 1.145 109.958 108.800 0.022 0.000 2.611 442 G HA2 0.445 4.419 3.960 0.023 0.000 0.273 442 G HA3 0.445 4.419 3.960 0.023 0.000 0.273 442 G C -0.604 174.325 174.900 0.048 0.000 1.305 442 G CA -0.633 44.488 45.100 0.035 0.000 1.010 442 G HN 0.386 nan 8.290 nan 0.000 0.509 443 L N 0.559 121.817 121.223 0.059 0.000 2.296 443 L HA 0.529 4.883 4.340 0.023 0.000 0.286 443 L C 1.117 178.046 176.870 0.099 0.000 1.023 443 L CA -0.427 54.460 54.840 0.079 0.000 0.812 443 L CB 1.698 43.799 42.059 0.070 0.000 1.223 443 L HN 0.726 nan 8.230 nan 0.000 0.421 444 G N 2.548 111.425 108.800 0.130 0.000 3.441 444 G HA2 0.397 4.371 3.960 0.023 0.000 0.195 444 G HA3 0.397 4.371 3.960 0.023 0.000 0.195 444 G C -0.544 174.449 174.900 0.155 0.000 1.633 444 G CA -0.189 44.997 45.100 0.144 0.000 0.895 444 G HN 0.545 nan 8.290 nan 0.000 0.654 445 E N -0.972 119.333 120.200 0.175 0.000 2.277 445 E HA 0.459 4.823 4.350 0.023 0.000 0.266 445 E C -1.824 174.936 176.600 0.265 0.000 0.901 445 E CA -0.717 55.792 56.400 0.182 0.000 0.782 445 E CB 2.855 32.616 29.700 0.101 0.000 1.228 445 E HN 0.192 nan 8.360 nan 0.000 0.424 446 F N 2.484 122.528 119.950 0.157 0.000 2.404 446 F HA 0.386 4.927 4.527 0.023 0.000 0.354 446 F C -1.160 174.755 175.800 0.191 0.000 1.122 446 F CA -0.832 57.268 58.000 0.166 0.000 1.080 446 F CB 0.791 39.881 39.000 0.151 0.000 1.131 446 F HN 0.114 nan 8.300 nan 0.000 0.471 447 V N 6.837 126.475 119.914 -0.461 0.000 2.384 447 V HA 0.252 4.386 4.120 0.023 0.000 0.287 447 V C -0.749 174.943 176.094 -0.670 0.000 1.020 447 V CA -0.673 61.361 62.300 -0.442 0.000 0.850 447 V CB 1.228 32.934 31.823 -0.194 0.000 0.987 447 V HN 0.821 nan 8.190 nan 0.000 0.436 448 H N 4.928 123.592 119.070 -0.675 0.000 2.685 448 H HA 0.445 5.015 4.556 0.023 0.000 0.307 448 H C -0.565 174.629 175.328 -0.222 0.000 1.017 448 H CA -0.896 54.852 56.048 -0.499 0.000 1.237 448 H CB 0.784 30.338 29.762 -0.346 0.000 1.409 448 H HN 0.638 nan 8.280 nan 0.000 0.488 449 N N 5.936 124.651 118.700 0.026 0.000 2.434 449 N HA 0.208 4.962 4.740 0.023 0.000 0.272 449 N C -0.787 174.633 175.510 -0.150 0.000 1.040 449 N CA -0.332 52.658 53.050 -0.100 0.000 0.956 449 N CB 1.713 40.122 38.487 -0.130 0.000 1.108 449 N HN 0.524 nan 8.380 nan 0.000 0.481 450 L N 1.510 122.614 121.223 -0.198 0.000 2.313 450 L HA 0.563 4.917 4.340 0.023 0.000 0.283 450 L C 1.046 177.750 176.870 -0.276 0.000 1.013 450 L CA -0.618 54.112 54.840 -0.184 0.000 0.816 450 L CB 1.605 43.607 42.059 -0.095 0.000 1.236 450 L HN 0.521 nan 8.230 nan 0.000 0.419 451 A N 2.562 125.202 122.820 -0.301 0.000 2.901 451 A HA 0.034 4.368 4.320 0.023 0.000 0.212 451 A C 0.435 177.970 177.584 -0.082 0.000 2.026 451 A CA 0.219 52.021 52.037 -0.392 0.000 0.806 451 A CB -0.146 18.761 19.000 -0.155 0.000 1.353 451 A HN 0.687 nan 8.150 nan 0.000 0.496 452 D N 0.998 121.517 120.400 0.199 0.000 2.359 452 D HA 0.462 5.116 4.640 0.023 0.000 0.250 452 D C -0.493 175.948 176.300 0.235 0.000 1.264 452 D CA 0.312 54.507 54.000 0.326 0.000 0.911 452 D CB 0.388 41.389 40.800 0.335 0.000 1.056 452 D HN 0.445 nan 8.370 nan 0.000 0.499 453 A N 5.437 128.366 122.820 0.182 0.000 2.288 453 A HA 0.599 4.932 4.320 0.023 0.000 0.320 453 A C -0.417 177.185 177.584 0.029 0.000 1.217 453 A CA -0.636 51.403 52.037 0.003 0.000 0.840 453 A CB 0.704 19.724 19.000 0.032 0.000 1.179 453 A HN 0.762 nan 8.150 nan 0.000 0.504 454 H N 0.242 119.301 119.070 -0.019 0.000 3.008 454 H HA 0.681 5.251 4.556 0.023 0.000 0.354 454 H C -1.853 173.411 175.328 -0.106 0.000 1.252 454 H CA -1.142 54.860 56.048 -0.078 0.000 1.117 454 H CB 1.402 31.054 29.762 -0.183 0.000 1.857 454 H HN 0.423 nan 8.280 nan 0.000 0.547 455 I N 2.245 122.858 120.570 0.073 0.000 2.439 455 I HA 0.158 4.342 4.170 0.023 0.000 0.283 455 I C -0.777 175.379 176.117 0.066 0.000 1.023 455 I CA -0.777 60.577 61.300 0.090 0.000 1.100 455 I CB 1.107 39.157 38.000 0.084 0.000 1.238 455 I HN 0.402 nan 8.210 nan 0.000 0.445 456 Y N 4.562 124.898 120.300 0.061 0.000 2.578 456 Y HA -0.040 4.524 4.550 0.023 0.000 0.339 456 Y C 1.713 177.579 175.900 -0.057 0.000 1.231 456 Y CA 0.034 58.063 58.100 -0.118 0.000 1.461 456 Y CB 0.628 38.846 38.460 -0.403 0.000 1.323 456 Y HN 0.497 nan 8.280 nan 0.000 0.590 457 V N -0.815 119.169 119.914 0.116 0.000 2.392 457 V HA -0.266 3.867 4.120 0.023 0.000 0.249 457 V C 1.392 177.556 176.094 0.116 0.000 1.059 457 V CA 2.068 64.447 62.300 0.131 0.000 1.051 457 V CB -0.515 31.339 31.823 0.053 0.000 0.658 457 V HN 0.909 nan 8.190 nan 0.000 0.455 458 D N -0.945 119.487 120.400 0.053 0.000 2.336 458 D HA -0.101 4.553 4.640 0.023 0.000 0.229 458 D C 1.464 177.887 176.300 0.205 0.000 1.061 458 D CA 0.863 54.908 54.000 0.075 0.000 0.875 458 D CB -0.885 39.931 40.800 0.028 0.000 0.904 458 D HN 0.759 nan 8.370 nan 0.000 0.525 459 H N -0.916 118.225 119.070 0.119 0.000 2.705 459 H HA 0.176 4.746 4.556 0.023 0.000 0.269 459 H C 1.889 177.246 175.328 0.049 0.000 0.998 459 H CA -0.258 55.843 56.048 0.089 0.000 1.193 459 H CB 1.146 30.983 29.762 0.126 0.000 1.485 459 H HN -0.057 nan 8.280 nan 0.000 0.521 460 V N 1.328 121.339 119.914 0.163 0.000 2.282 460 V HA -0.303 3.831 4.120 0.023 0.000 0.249 460 V C 1.763 177.869 176.094 0.019 0.000 1.057 460 V CA 2.140 64.466 62.300 0.043 0.000 1.032 460 V CB -0.246 31.602 31.823 0.040 0.000 0.645 460 V HN 0.462 nan 8.190 nan 0.000 0.447 461 D N 0.100 120.534 120.400 0.057 0.000 2.097 461 D HA -0.123 4.531 4.640 0.023 0.000 0.195 461 D C 2.249 178.568 176.300 0.032 0.000 0.989 461 D CA 1.701 55.729 54.000 0.047 0.000 0.827 461 D CB -0.563 40.269 40.800 0.053 0.000 0.966 461 D HN 0.415 nan 8.370 nan 0.000 0.456 462 A N 0.784 123.629 122.820 0.040 0.000 1.869 462 A HA -0.221 4.112 4.320 0.023 0.000 0.218 462 A C 2.515 180.099 177.584 -0.000 0.000 1.203 462 A CA 3.019 55.066 52.037 0.016 0.000 0.638 462 A CB -1.147 17.855 19.000 0.003 0.000 0.831 462 A HN 0.249 nan 8.150 nan 0.000 0.450 463 V N -2.833 117.079 119.914 -0.003 0.000 2.515 463 V HA -0.141 3.993 4.120 0.023 0.000 0.250 463 V C 2.156 178.214 176.094 -0.061 0.000 1.058 463 V CA 2.607 64.885 62.300 -0.037 0.000 1.064 463 V CB -1.784 30.003 31.823 -0.059 0.000 0.675 463 V HN 0.447 nan 8.190 nan 0.000 0.461 464 T N 0.969 115.493 114.554 -0.050 0.000 2.674 464 T HA -0.180 4.184 4.350 0.023 0.000 0.265 464 T C 1.962 176.670 174.700 0.013 0.000 1.039 464 T CA 2.510 64.613 62.100 0.004 0.000 1.150 464 T CB -0.724 68.186 68.868 0.070 0.000 0.864 464 T HN 0.661 nan 8.240 nan 0.000 0.427 465 T N 1.851 116.407 114.554 0.004 0.000 2.665 465 T HA -0.208 4.156 4.350 0.023 0.000 0.268 465 T C 2.051 176.724 174.700 -0.045 0.000 1.035 465 T CA 1.648 63.740 62.100 -0.013 0.000 1.151 465 T CB -0.365 68.499 68.868 -0.007 0.000 0.862 465 T HN 0.442 nan 8.240 nan 0.000 0.438 466 Q N 0.515 120.288 119.800 -0.044 0.000 2.084 466 Q HA -0.093 4.261 4.340 0.023 0.000 0.202 466 Q C 2.356 178.302 176.000 -0.090 0.000 0.978 466 Q CA 1.435 57.198 55.803 -0.066 0.000 0.844 466 Q CB -0.330 28.398 28.738 -0.016 0.000 0.898 466 Q HN 0.795 nan 8.270 nan 0.000 0.426 467 I N -2.595 117.938 120.570 -0.061 0.000 3.001 467 I HA 0.049 4.233 4.170 0.023 0.000 0.268 467 I C 1.803 177.893 176.117 -0.045 0.000 1.267 467 I CA 1.066 62.334 61.300 -0.053 0.000 1.472 467 I CB -0.179 37.797 38.000 -0.040 0.000 1.089 467 I HN 0.029 nan 8.210 nan 0.000 0.468 468 A N 1.083 123.870 122.820 -0.056 0.000 2.178 468 A HA 0.202 4.536 4.320 0.023 0.000 0.211 468 A C 1.271 178.786 177.584 -0.114 0.000 1.157 468 A CA -0.101 51.904 52.037 -0.054 0.000 0.780 468 A CB -0.309 18.672 19.000 -0.033 0.000 0.828 468 A HN 0.403 nan 8.150 nan 0.000 0.476 469 R N 0.745 121.114 120.500 -0.217 0.000 2.347 469 R HA 0.285 4.639 4.340 0.023 0.000 0.304 469 R C -0.578 175.507 176.300 -0.359 0.000 1.072 469 R CA -0.363 55.477 56.100 -0.432 0.000 0.980 469 R CB 0.575 30.387 30.300 -0.813 0.000 0.986 469 R HN 0.211 nan 8.270 nan 0.000 0.448 470 I N 5.710 126.144 120.570 -0.228 0.000 2.517 470 I HA 0.111 4.294 4.170 0.023 0.000 0.285 470 I C -1.916 174.060 176.117 -0.236 0.000 1.106 470 I CA -2.653 58.543 61.300 -0.173 0.000 1.402 470 I CB 0.370 38.309 38.000 -0.102 0.000 1.399 470 I HN 0.273 nan 8.210 nan 0.000 0.535 471 P HA 0.094 nan 4.420 nan 0.000 0.268 471 P C -0.181 176.877 177.300 -0.403 0.000 1.205 471 P CA 0.186 62.971 63.100 -0.523 0.000 0.771 471 P CB 0.383 31.437 31.700 -1.078 0.000 0.858 472 H N 2.116 121.120 119.070 -0.110 0.000 2.508 472 H HA 0.241 4.811 4.556 0.023 0.000 0.358 472 H C -1.942 173.414 175.328 0.048 0.000 1.212 472 H CA -1.856 54.162 56.048 -0.051 0.000 1.356 472 H CB -0.358 29.356 29.762 -0.080 0.000 1.525 472 H HN 0.235 nan 8.280 nan 0.000 0.578 473 P HA -0.086 nan 4.420 nan 0.000 0.265 473 P C -0.004 177.388 177.300 0.153 0.000 1.193 473 P CA 0.245 63.363 63.100 0.030 0.000 0.765 473 P CB 0.089 31.757 31.700 -0.054 0.000 0.823 474 F N 4.519 124.507 119.950 0.064 0.000 2.586 474 F HA 0.095 4.636 4.527 0.023 0.000 0.344 474 F C -1.185 174.656 175.800 0.068 0.000 1.188 474 F CA -1.449 56.603 58.000 0.087 0.000 1.359 474 F CB -0.988 38.005 39.000 -0.011 0.000 1.129 474 F HN 0.326 nan 8.300 nan 0.000 0.609 475 P HA 0.261 nan 4.420 nan 0.000 0.297 475 P C -1.163 176.229 177.300 0.154 0.000 1.303 475 P CA -0.460 62.775 63.100 0.225 0.000 0.753 475 P CB 0.918 32.766 31.700 0.246 0.000 1.281 476 R N -0.960 119.587 120.500 0.080 0.000 2.854 476 R HA 0.777 5.131 4.340 0.023 0.000 0.271 476 R C -1.222 175.032 176.300 -0.078 0.000 0.994 476 R CA -1.185 54.937 56.100 0.036 0.000 0.945 476 R CB 0.763 31.068 30.300 0.009 0.000 1.194 476 R HN 0.281 nan 8.270 nan 0.000 0.476 477 L N 1.037 122.179 121.223 -0.134 0.000 2.317 477 L HA 0.538 4.891 4.340 0.023 0.000 0.281 477 L C -0.683 176.074 176.870 -0.188 0.000 1.024 477 L CA -0.475 54.172 54.840 -0.321 0.000 0.810 477 L CB 1.510 43.262 42.059 -0.511 0.000 1.240 477 L HN 0.681 nan 8.230 nan 0.000 0.427 478 R N 5.274 125.663 120.500 -0.186 0.000 2.476 478 R HA 0.570 4.924 4.340 0.023 0.000 0.305 478 R C -1.620 174.620 176.300 -0.100 0.000 0.965 478 R CA -0.661 55.376 56.100 -0.105 0.000 0.867 478 R CB 1.155 31.418 30.300 -0.062 0.000 1.176 478 R HN 0.710 nan 8.270 nan 0.000 0.447 479 L N 2.680 123.870 121.223 -0.055 0.000 2.343 479 L HA 0.315 4.669 4.340 0.023 0.000 0.275 479 L C 0.412 177.323 176.870 0.067 0.000 1.056 479 L CA -1.013 53.837 54.840 0.016 0.000 0.804 479 L CB 1.229 43.322 42.059 0.056 0.000 1.203 479 L HN 0.547 nan 8.230 nan 0.000 0.440 480 N N 4.256 123.019 118.700 0.105 0.000 2.429 480 N HA 0.022 4.775 4.740 0.023 0.000 0.271 480 N C -1.656 173.883 175.510 0.048 0.000 1.272 480 N CA -1.406 51.678 53.050 0.056 0.000 0.921 480 N CB 0.884 39.391 38.487 0.034 0.000 1.128 480 N HN 0.318 nan 8.380 nan 0.000 0.481 481 P HA -0.020 nan 4.420 nan 0.000 0.233 481 P C -0.036 177.255 177.300 -0.016 0.000 1.167 481 P CA 0.639 63.750 63.100 0.018 0.000 0.770 481 P CB 0.469 32.178 31.700 0.015 0.000 0.837 482 D N -0.128 120.250 120.400 -0.037 0.000 2.312 482 D HA -0.019 4.634 4.640 0.023 0.000 0.211 482 D C 0.944 177.174 176.300 -0.115 0.000 0.964 482 D CA 0.545 54.507 54.000 -0.062 0.000 0.877 482 D CB -0.248 40.518 40.800 -0.056 0.000 0.924 482 D HN 0.164 nan 8.370 nan 0.000 0.515 483 I N 1.089 121.550 120.570 -0.182 0.000 2.517 483 I HA 0.076 4.260 4.170 0.023 0.000 0.285 483 I C 1.778 177.718 176.117 -0.296 0.000 1.106 483 I CA 0.334 61.410 61.300 -0.374 0.000 1.402 483 I CB 0.300 37.787 38.000 -0.854 0.000 1.399 483 I HN -0.067 nan 8.210 nan 0.000 0.535 484 R N 5.063 125.422 120.500 -0.235 0.000 2.335 484 R HA 0.190 4.544 4.340 0.023 0.000 0.210 484 R C 0.549 176.780 176.300 -0.116 0.000 0.892 484 R CA 0.164 56.184 56.100 -0.133 0.000 1.048 484 R CB -0.022 30.224 30.300 -0.091 0.000 1.067 484 R HN 0.716 nan 8.270 nan 0.000 0.524 485 N N -0.513 118.083 118.700 -0.173 0.000 2.260 485 N HA 0.236 4.990 4.740 0.023 0.000 0.293 485 N C 0.027 175.483 175.510 -0.091 0.000 1.058 485 N CA -0.478 52.516 53.050 -0.094 0.000 0.824 485 N CB 2.147 40.591 38.487 -0.071 0.000 1.551 485 N HN 0.033 nan 8.380 nan 0.000 0.475 486 I N 2.720 123.331 120.570 0.068 0.000 2.394 486 I HA -0.140 4.044 4.170 0.023 0.000 0.251 486 I C 1.464 177.721 176.117 0.234 0.000 1.136 486 I CA 1.334 62.793 61.300 0.265 0.000 1.425 486 I CB 0.296 38.431 38.000 0.226 0.000 1.079 486 I HN 0.618 nan 8.210 nan 0.000 0.425 487 E N 0.300 120.564 120.200 0.107 0.000 2.338 487 E HA -0.199 4.165 4.350 0.023 0.000 0.197 487 E C 1.019 177.645 176.600 0.044 0.000 1.007 487 E CA 0.853 57.306 56.400 0.088 0.000 0.849 487 E CB -0.061 29.674 29.700 0.058 0.000 0.774 487 E HN 0.578 nan 8.360 nan 0.000 0.506 488 D N 0.004 120.375 120.400 -0.049 0.000 2.348 488 D HA -0.009 4.645 4.640 0.023 0.000 0.211 488 D C 0.043 176.261 176.300 -0.136 0.000 0.998 488 D CA 0.244 54.174 54.000 -0.117 0.000 0.873 488 D CB -0.034 40.652 40.800 -0.191 0.000 0.925 488 D HN 0.022 nan 8.370 nan 0.000 0.524 489 F N 1.822 121.768 119.950 -0.007 0.000 2.578 489 F HA 0.074 4.615 4.527 0.023 0.000 0.376 489 F C 1.649 177.438 175.800 -0.018 0.000 1.085 489 F CA 0.033 58.021 58.000 -0.020 0.000 1.260 489 F CB 0.414 39.398 39.000 -0.026 0.000 1.095 489 F HN -0.254 nan 8.300 nan 0.000 0.573 490 T N 0.738 115.381 114.554 0.149 0.000 2.926 490 T HA 0.386 4.749 4.350 0.023 0.000 0.289 490 T C 0.987 175.721 174.700 0.056 0.000 1.054 490 T CA -0.813 61.332 62.100 0.075 0.000 1.015 490 T CB 1.309 70.196 68.868 0.031 0.000 1.167 490 T HN 0.585 nan 8.240 nan 0.000 0.526 491 I N 0.428 121.005 120.570 0.013 0.000 2.248 491 I HA -0.190 3.994 4.170 0.023 0.000 0.248 491 I C 1.286 177.387 176.117 -0.028 0.000 1.107 491 I CA 1.844 63.130 61.300 -0.024 0.000 1.373 491 I CB -0.124 37.852 38.000 -0.040 0.000 1.055 491 I HN 0.620 nan 8.210 nan 0.000 0.418 492 D N 0.592 120.985 120.400 -0.012 0.000 2.348 492 D HA -0.114 4.540 4.640 0.023 0.000 0.216 492 D C 1.273 177.571 176.300 -0.003 0.000 0.970 492 D CA 0.736 54.727 54.000 -0.016 0.000 0.889 492 D CB -0.282 40.510 40.800 -0.013 0.000 0.912 492 D HN 0.485 nan 8.370 nan 0.000 0.524 493 D N -0.032 120.388 120.400 0.033 0.000 2.340 493 D HA 0.082 4.736 4.640 0.023 0.000 0.220 493 D C 0.505 176.842 176.300 0.061 0.000 1.039 493 D CA 0.175 54.225 54.000 0.083 0.000 0.866 493 D CB 1.098 42.013 40.800 0.191 0.000 0.913 493 D HN 0.283 nan 8.370 nan 0.000 0.523 494 I N 1.366 121.918 120.570 -0.030 0.000 2.466 494 I HA 0.187 4.371 4.170 0.023 0.000 0.279 494 I C -0.813 175.195 176.117 -0.181 0.000 1.033 494 I CA -0.608 60.608 61.300 -0.140 0.000 1.123 494 I CB 2.203 40.084 38.000 -0.198 0.000 1.237 494 I HN -0.414 nan 8.210 nan 0.000 0.460 495 V N 6.779 126.576 119.914 -0.195 0.000 2.487 495 V HA 0.401 4.535 4.120 0.023 0.000 0.298 495 V C -0.043 175.898 176.094 -0.254 0.000 1.028 495 V CA -0.773 61.419 62.300 -0.180 0.000 0.860 495 V CB 2.377 34.135 31.823 -0.109 0.000 0.991 495 V HN 0.336 nan 8.190 nan 0.000 0.427 496 V N 4.958 124.713 119.914 -0.265 0.000 2.350 496 V HA 0.425 4.559 4.120 0.023 0.000 0.276 496 V C 0.097 176.114 176.094 -0.127 0.000 1.028 496 V CA -0.494 61.636 62.300 -0.283 0.000 0.860 496 V CB 1.337 32.944 31.823 -0.361 0.000 0.990 496 V HN 0.838 nan 8.190 nan 0.000 0.453 497 E N 3.104 123.254 120.200 -0.083 0.000 2.222 497 E HA 0.340 4.704 4.350 0.023 0.000 0.272 497 E C -0.462 176.156 176.600 0.030 0.000 0.982 497 E CA -0.483 55.904 56.400 -0.021 0.000 0.842 497 E CB 1.288 30.976 29.700 -0.019 0.000 1.144 497 E HN 0.705 nan 8.360 nan 0.000 0.397 498 D N 0.804 121.228 120.400 0.039 0.000 2.800 498 D HA -0.242 4.412 4.640 0.023 0.000 0.232 498 D C -0.613 175.759 176.300 0.119 0.000 1.137 498 D CA 0.787 54.816 54.000 0.049 0.000 0.718 498 D CB -1.982 38.840 40.800 0.038 0.000 1.084 498 D HN 0.391 nan 8.370 nan 0.000 0.432 499 Y N 0.798 121.082 120.300 -0.026 0.000 2.436 499 Y HA 0.405 4.968 4.550 0.023 0.000 0.343 499 Y C -0.296 175.570 175.900 -0.058 0.000 1.008 499 Y CA -0.611 57.481 58.100 -0.013 0.000 1.241 499 Y CB 0.678 39.131 38.460 -0.012 0.000 1.153 499 Y HN -0.104 nan 8.280 nan 0.000 0.521 500 V N 6.449 126.185 119.914 -0.297 0.000 2.448 500 V HA 0.616 4.750 4.120 0.023 0.000 0.295 500 V C -0.583 175.119 176.094 -0.654 0.000 1.025 500 V CA -0.423 61.565 62.300 -0.520 0.000 0.859 500 V CB 1.457 32.989 31.823 -0.485 0.000 0.988 500 V HN 0.827 nan 8.190 nan 0.000 0.431 501 S N 3.448 118.746 115.700 -0.669 0.000 2.579 501 S HA 0.588 5.072 4.470 0.023 0.000 0.272 501 S C -0.732 173.761 174.600 -0.177 0.000 1.141 501 S CA -0.901 57.094 58.200 -0.341 0.000 0.843 501 S CB 1.648 64.536 63.200 -0.521 0.000 1.122 501 S HN 0.671 nan 8.310 nan 0.000 0.468 502 H N 0.821 119.923 119.070 0.054 0.000 2.703 502 H HA 0.301 4.871 4.556 0.023 0.000 0.377 502 H C -2.272 173.049 175.328 -0.011 0.000 1.392 502 H CA -0.485 55.588 56.048 0.042 0.000 1.458 502 H CB -0.152 29.626 29.762 0.028 0.000 1.529 502 H HN 0.414 nan 8.280 nan 0.000 0.619 503 P HA 0.017 nan 4.420 nan 0.000 0.270 503 P C -2.300 175.033 177.300 0.056 0.000 1.223 503 P CA -0.851 62.284 63.100 0.058 0.000 0.785 503 P CB -0.174 31.557 31.700 0.051 0.000 0.923 504 P HA 0.089 nan 4.420 nan 0.000 0.268 504 P C -0.537 176.779 177.300 0.027 0.000 1.208 504 P CA 0.772 63.895 63.100 0.038 0.000 0.777 504 P CB 0.374 32.092 31.700 0.031 0.000 0.875 505 I N 3.317 123.898 120.570 0.018 0.000 2.411 505 I HA 0.252 4.436 4.170 0.023 0.000 0.284 505 I C -2.138 173.969 176.117 -0.016 0.000 1.012 505 I CA -2.518 58.783 61.300 0.002 0.000 1.119 505 I CB 1.479 39.476 38.000 -0.005 0.000 1.261 505 I HN 0.100 nan 8.210 nan 0.000 0.448 506 P HA 0.256 nan 4.420 nan 0.000 0.264 506 P C -0.846 176.428 177.300 -0.042 0.000 1.193 506 P CA 0.192 63.280 63.100 -0.020 0.000 0.763 506 P CB 0.474 32.171 31.700 -0.004 0.000 0.810 507 M N 1.890 121.445 119.600 -0.074 0.000 2.322 507 M HA 0.507 5.001 4.480 0.023 0.000 0.286 507 M C -0.768 175.513 176.300 -0.032 0.000 1.111 507 M CA -0.692 54.532 55.300 -0.127 0.000 0.941 507 M CB 2.651 34.983 32.600 -0.447 0.000 1.671 507 M HN 0.267 nan 8.290 nan 0.000 0.470 508 A N 3.989 126.872 122.820 0.104 0.000 2.310 508 A HA 0.721 5.055 4.320 0.023 0.000 0.299 508 A C -0.494 177.145 177.584 0.091 0.000 1.147 508 A CA -0.525 51.550 52.037 0.064 0.000 0.818 508 A CB 0.862 19.882 19.000 0.033 0.000 1.096 508 A HN 0.941 nan 8.150 nan 0.000 0.495 509 M N 2.113 121.686 119.600 -0.044 0.000 2.216 509 M HA 0.241 4.735 4.480 0.023 0.000 0.356 509 M C -0.400 175.774 176.300 -0.209 0.000 1.205 509 M CA 0.072 55.293 55.300 -0.131 0.000 1.122 509 M CB 0.714 33.209 32.600 -0.176 0.000 1.571 509 M HN 0.653 nan 8.290 nan 0.000 0.464 510 S N 3.678 119.154 115.700 -0.373 0.000 2.422 510 S HA 0.571 5.054 4.470 0.023 0.000 0.298 510 S C 0.022 174.490 174.600 -0.220 0.000 1.118 510 S CA -0.860 57.122 58.200 -0.364 0.000 1.083 510 S CB 1.100 63.895 63.200 -0.676 0.000 0.971 510 S HN 0.774 nan 8.310 nan 0.000 0.478 511 A N 0.000 122.756 122.820 -0.107 0.000 2.254 511 A HA 0.000 4.334 4.320 0.023 0.000 0.244 511 A CA 0.000 52.007 52.037 -0.051 0.000 0.836 511 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 511 A HN 0.000 nan 8.150 nan 0.000 0.486