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 1hcu_1_B DATA FIRST_RESID 6 DATA SEQUENCE TKRGSPNPTR AAAVKAAFQT SWNAYHHFAF PHDDLHPVSN SFDDERNGWG DATA SEQUENCE SSAIDGLDTA ILMGDADIVN TILQYVPQIN FTTTAVANQG SSVFETNIRY DATA SEQUENCE LGGLLSAYDL LRGPFSSLAT NQTLVNSLLR QAQTLANGLK VAFTTPSGVP DATA SEQUENCE DPTVFFNPTV RRSGASSNNV AEIGSLVLEW TRLSDLTGNP QYAQLAQKGE DATA SEQUENCE SYLLNPKGSP EAWPGLIGTF VSTSNGTFQD SSGSWSGLMD SFYEYLIKMY DATA SEQUENCE LYDPVAFAHY KDRWVLGADS TIGHLGSHPS TRKDLTFLSS YNGQSTSPNS DATA SEQUENCE GHLASFGGGN FILGGILLNE QKYIDFGIKL ASSYFGTYTQ TASGIGPEGF DATA SEQUENCE AWVDSVTGAG GSPPSSQSGF YSSAGFWVTA PYYILRPETL ESLYYAYRVT DATA SEQUENCE GDSKWQDLAW EALSAIEDAC RAGSAYSSIN DVTQANGGGA SDDMESFWFA DATA SEQUENCE EALKYAYLIF AEESDVQVQA TGGNKFVFNT EAHPFSIRS 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.699 174.700 -0.002 0.000 1.109 6 T CA 0.000 62.093 62.100 -0.012 0.000 1.349 6 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 7 K N 1.601 121.997 120.400 -0.007 0.000 2.416 7 K HA 0.737 5.057 4.320 0.001 0.000 0.283 7 K C 0.432 177.052 176.600 0.033 0.000 1.037 7 K CA 0.289 56.579 56.287 0.005 0.000 0.995 7 K CB -0.745 31.752 32.500 -0.005 0.000 0.938 7 K HN 0.998 nan 8.250 nan 0.000 0.475 8 R N 1.453 121.975 120.500 0.038 0.000 2.490 8 R HA 0.623 4.963 4.340 0.001 0.000 0.280 8 R C 0.875 177.236 176.300 0.100 0.000 1.077 8 R CA 0.075 56.212 56.100 0.062 0.000 1.065 8 R CB 0.541 30.863 30.300 0.036 0.000 1.003 8 R HN 1.383 nan 8.270 nan 0.000 0.470 9 G N 0.037 108.952 108.800 0.193 0.000 2.531 9 G HA2 0.580 4.540 3.960 0.001 0.000 0.313 9 G HA3 0.580 4.540 3.960 0.001 0.000 0.313 9 G C -0.273 174.765 174.900 0.230 0.000 1.238 9 G CA 0.365 45.624 45.100 0.265 0.000 0.994 9 G HN 1.646 nan 8.290 nan 0.000 0.493 10 S N -0.694 115.123 115.700 0.195 0.000 2.587 10 S HA 0.651 5.121 4.470 0.001 0.000 0.269 10 S C -3.256 171.405 174.600 0.101 0.000 1.154 10 S CA -1.102 57.184 58.200 0.143 0.000 0.824 10 S CB 1.592 64.834 63.200 0.071 0.000 1.118 10 S HN 0.632 nan 8.310 nan 0.000 0.462 11 P HA 0.148 nan 4.420 nan 0.000 0.265 11 P C -1.068 176.239 177.300 0.013 0.000 1.187 11 P CA 0.033 63.162 63.100 0.049 0.000 0.766 11 P CB 0.094 31.813 31.700 0.033 0.000 0.820 12 N N 3.642 122.345 118.700 0.005 0.000 2.626 12 N HA 0.153 4.893 4.740 0.001 0.000 0.249 12 N C -1.626 173.826 175.510 -0.097 0.000 1.021 12 N CA -2.403 50.595 53.050 -0.086 0.000 0.886 12 N CB 1.181 39.550 38.487 -0.196 0.000 1.149 12 N HN 0.147 nan 8.380 nan 0.000 0.517 13 P HA -0.119 nan 4.420 nan 0.000 0.215 13 P C 1.109 178.372 177.300 -0.061 0.000 1.153 13 P CA 1.394 64.474 63.100 -0.034 0.000 0.853 13 P CB 0.304 31.993 31.700 -0.018 0.000 0.788 14 T N 0.128 114.606 114.554 -0.126 0.000 2.708 14 T HA -0.119 4.231 4.350 0.001 0.000 0.266 14 T C 2.065 176.628 174.700 -0.228 0.000 1.037 14 T CA 1.504 63.514 62.100 -0.150 0.000 1.146 14 T CB -0.431 68.325 68.868 -0.187 0.000 0.865 14 T HN 0.153 nan 8.240 nan 0.000 0.435 15 R N 0.617 120.840 120.500 -0.462 0.000 2.115 15 R HA 0.215 4.555 4.340 0.001 0.000 0.226 15 R C 2.675 178.856 176.300 -0.199 0.000 1.100 15 R CA 0.924 56.589 56.100 -0.726 0.000 0.980 15 R CB -0.346 28.953 30.300 -1.670 0.000 0.875 15 R HN 0.350 nan 8.270 nan 0.000 0.445 16 A N 0.767 123.565 122.820 -0.037 0.000 1.898 16 A HA -0.085 4.235 4.320 0.001 0.000 0.216 16 A C 2.270 180.038 177.584 0.305 0.000 1.181 16 A CA 1.658 53.831 52.037 0.226 0.000 0.620 16 A CB -0.639 18.433 19.000 0.120 0.000 0.819 16 A HN 0.377 nan 8.150 nan 0.000 0.442 17 A N -0.266 122.655 122.820 0.169 0.000 1.968 17 A HA 0.255 4.575 4.320 0.001 0.000 0.217 17 A C 2.441 180.136 177.584 0.185 0.000 1.169 17 A CA 1.717 53.851 52.037 0.162 0.000 0.638 17 A CB -0.849 18.211 19.000 0.101 0.000 0.812 17 A HN 0.987 nan 8.150 nan 0.000 0.446 18 A N -0.405 122.533 122.820 0.196 0.000 1.933 18 A HA -0.006 4.315 4.320 0.001 0.000 0.218 18 A C 2.180 179.949 177.584 0.309 0.000 1.175 18 A CA 1.818 54.023 52.037 0.279 0.000 0.628 18 A CB -0.792 18.465 19.000 0.429 0.000 0.814 18 A HN 0.383 nan 8.150 nan 0.000 0.444 19 V N -0.035 120.087 119.914 0.346 0.000 2.379 19 V HA -0.226 3.895 4.120 0.001 0.000 0.245 19 V C 2.380 178.603 176.094 0.216 0.000 1.044 19 V CA 2.175 64.661 62.300 0.310 0.000 1.036 19 V CB -0.646 31.426 31.823 0.414 0.000 0.664 19 V HN 0.518 nan 8.190 nan 0.000 0.453 20 K N 0.399 120.910 120.400 0.184 0.000 2.097 20 K HA -0.118 4.203 4.320 0.001 0.000 0.206 20 K C 2.332 179.056 176.600 0.207 0.000 1.049 20 K CA 1.418 57.755 56.287 0.083 0.000 0.933 20 K CB -0.403 32.106 32.500 0.016 0.000 0.717 20 K HN 0.470 nan 8.250 nan 0.000 0.442 21 A N 1.540 124.489 122.820 0.214 0.000 1.902 21 A HA -0.150 4.170 4.320 0.001 0.000 0.217 21 A C 2.364 180.124 177.584 0.292 0.000 1.181 21 A CA 1.934 54.111 52.037 0.233 0.000 0.623 21 A CB -0.677 18.451 19.000 0.214 0.000 0.818 21 A HN 0.343 nan 8.150 nan 0.000 0.443 22 A N -1.525 121.475 122.820 0.300 0.000 1.972 22 A HA -0.012 4.308 4.320 0.001 0.000 0.219 22 A C 2.037 179.830 177.584 0.349 0.000 1.169 22 A CA 1.527 53.774 52.037 0.349 0.000 0.635 22 A CB -0.633 18.486 19.000 0.198 0.000 0.810 22 A HN 0.680 nan 8.150 nan 0.000 0.446 23 F N 0.343 120.364 119.950 0.118 0.000 2.163 23 F HA -0.115 4.412 4.527 0.001 0.000 0.297 23 F C 2.398 178.377 175.800 0.298 0.000 1.094 23 F CA 2.059 60.130 58.000 0.120 0.000 1.290 23 F CB -0.255 38.742 39.000 -0.005 0.000 1.017 23 F HN 0.300 nan 8.300 nan 0.000 0.483 24 Q N 0.301 120.366 119.800 0.442 0.000 2.061 24 Q HA -0.165 4.175 4.340 0.001 0.000 0.204 24 Q C 2.045 178.242 176.000 0.328 0.000 0.984 24 Q CA 2.806 58.829 55.803 0.367 0.000 0.846 24 Q CB -0.866 28.044 28.738 0.286 0.000 0.902 24 Q HN 0.392 nan 8.270 nan 0.000 0.421 25 T N -0.251 114.498 114.554 0.324 0.000 2.708 25 T HA -0.120 4.230 4.350 0.001 0.000 0.266 25 T C 1.955 176.860 174.700 0.342 0.000 1.037 25 T CA 1.422 63.708 62.100 0.310 0.000 1.146 25 T CB -0.405 68.661 68.868 0.331 0.000 0.865 25 T HN 0.276 nan 8.240 nan 0.000 0.435 26 S N 0.237 116.181 115.700 0.407 0.000 2.368 26 S HA -0.100 4.370 4.470 0.001 0.000 0.225 26 S C 1.619 176.554 174.600 0.558 0.000 1.030 26 S CA 0.909 59.360 58.200 0.418 0.000 0.999 26 S CB -0.407 62.907 63.200 0.190 0.000 0.844 26 S HN 0.650 nan 8.310 nan 0.000 0.459 27 W N 2.716 124.195 121.300 0.298 0.000 2.381 27 W HA -0.087 4.573 4.660 0.001 0.000 0.301 27 W C 1.605 178.246 176.519 0.203 0.000 1.205 27 W CA 1.140 58.597 57.345 0.187 0.000 1.285 27 W CB -0.713 28.670 29.460 -0.128 0.000 1.133 27 W HN 0.396 nan 8.180 nan 0.000 0.521 28 N N 0.528 119.323 118.700 0.157 0.000 2.069 28 N HA -0.202 4.538 4.740 0.001 0.000 0.191 28 N C 2.080 177.588 175.510 -0.003 0.000 1.031 28 N CA 1.833 54.909 53.050 0.044 0.000 0.852 28 N CB -0.544 38.025 38.487 0.136 0.000 1.018 28 N HN 0.074 nan 8.380 nan 0.000 0.423 29 A N 0.864 123.776 122.820 0.153 0.000 1.845 29 A HA -0.228 4.092 4.320 0.001 0.000 0.215 29 A C 2.059 179.750 177.584 0.178 0.000 1.195 29 A CA 1.393 53.587 52.037 0.262 0.000 0.616 29 A CB -1.220 17.996 19.000 0.360 0.000 0.832 29 A HN 0.538 nan 8.150 nan 0.000 0.443 30 Y N -0.336 120.010 120.300 0.075 0.000 2.128 30 Y HA -0.287 4.263 4.550 0.001 0.000 0.284 30 Y C 2.481 178.222 175.900 -0.266 0.000 1.154 30 Y CA 2.396 60.491 58.100 -0.007 0.000 1.149 30 Y CB -0.527 37.964 38.460 0.052 0.000 0.976 30 Y HN 0.593 nan 8.280 nan 0.000 0.505 31 H N -1.209 117.375 119.070 -0.810 0.000 2.456 31 H HA -0.196 4.360 4.556 0.001 0.000 0.296 31 H C 1.951 176.949 175.328 -0.550 0.000 1.079 31 H CA 1.904 57.360 56.048 -0.988 0.000 1.322 31 H CB -0.282 28.694 29.762 -1.310 0.000 1.388 31 H HN 0.680 nan 8.280 nan 0.000 0.538 32 H N -1.012 117.638 119.070 -0.699 0.000 2.329 32 H HA -0.054 4.503 4.556 0.001 0.000 0.306 32 H C 1.005 175.832 175.328 -0.835 0.000 1.062 32 H CA 1.172 56.693 56.048 -0.878 0.000 1.364 32 H CB 0.171 29.201 29.762 -1.220 0.000 1.409 32 H HN 0.256 nan 8.280 nan 0.000 0.519 33 F N -1.281 118.566 119.950 -0.171 0.000 2.678 33 F HA 0.393 4.920 4.527 0.001 0.000 0.305 33 F C 1.625 177.355 175.800 -0.117 0.000 1.090 33 F CA 0.343 58.237 58.000 -0.178 0.000 1.272 33 F CB 0.790 39.689 39.000 -0.168 0.000 1.060 33 F HN 0.186 nan 8.300 nan 0.000 0.576 34 A N -0.620 122.092 122.820 -0.180 0.000 1.878 34 A HA 0.198 4.519 4.320 0.001 0.000 0.201 34 A C 0.255 177.519 177.584 -0.534 0.000 1.684 34 A CA -0.272 51.601 52.037 -0.274 0.000 1.113 34 A CB -0.644 18.287 19.000 -0.115 0.000 1.131 34 A HN 0.094 nan 8.150 nan 0.000 0.472 35 F N 3.171 122.459 119.950 -1.104 0.000 2.635 35 F HA 0.219 4.746 4.527 0.001 0.000 0.379 35 F C -1.446 173.999 175.800 -0.591 0.000 1.094 35 F CA -0.925 56.533 58.000 -0.902 0.000 1.300 35 F CB 0.879 39.358 39.000 -0.868 0.000 1.035 35 F HN 0.082 nan 8.300 nan 0.000 0.581 36 P HA 0.058 nan 4.420 nan 0.000 0.249 36 P C -0.459 176.442 177.300 -0.665 0.000 1.583 36 P CA 0.119 62.371 63.100 -1.413 0.000 0.988 36 P CB -0.155 30.523 31.700 -1.705 0.000 1.530 37 H N 0.490 119.294 119.070 -0.442 0.000 2.597 37 H HA 0.078 4.634 4.556 0.001 0.000 0.370 37 H C 0.980 176.359 175.328 0.086 0.000 1.281 37 H CA 0.056 55.931 56.048 -0.287 0.000 1.422 37 H CB 0.997 30.337 29.762 -0.704 0.000 1.524 37 H HN -0.012 nan 8.280 nan 0.000 0.607 38 D N 0.355 120.914 120.400 0.265 0.000 2.077 38 D HA -0.083 4.557 4.640 0.001 0.000 0.193 38 D C -0.060 176.438 176.300 0.329 0.000 0.989 38 D CA 1.567 55.744 54.000 0.295 0.000 0.831 38 D CB 0.205 41.147 40.800 0.237 0.000 0.979 38 D HN 0.507 nan 8.370 nan 0.000 0.449 39 D N -0.231 120.365 120.400 0.326 0.000 2.671 39 D HA 0.325 4.966 4.640 0.001 0.000 0.232 39 D C -0.587 175.938 176.300 0.375 0.000 1.114 39 D CA -0.639 53.559 54.000 0.331 0.000 0.858 39 D CB 2.768 43.711 40.800 0.240 0.000 1.544 39 D HN -0.081 nan 8.370 nan 0.000 0.471 40 L N 1.091 122.585 121.223 0.451 0.000 2.357 40 L HA 0.295 4.636 4.340 0.001 0.000 0.273 40 L C -0.571 176.538 176.870 0.398 0.000 1.080 40 L CA -0.154 54.922 54.840 0.392 0.000 0.803 40 L CB 0.871 43.212 42.059 0.470 0.000 1.174 40 L HN 0.352 nan 8.230 nan 0.000 0.443 41 H N 5.543 124.673 119.070 0.100 0.000 2.697 41 H HA 0.250 4.806 4.556 0.001 0.000 0.270 41 H C -1.760 173.551 175.328 -0.028 0.000 1.188 41 H CA -1.786 54.265 56.048 0.005 0.000 1.322 41 H CB 0.947 30.683 29.762 -0.043 0.000 1.405 41 H HN 0.572 nan 8.280 nan 0.000 0.502 42 P HA -0.180 nan 4.420 nan 0.000 0.218 42 P C 1.251 178.504 177.300 -0.079 0.000 1.146 42 P CA 0.915 64.016 63.100 0.001 0.000 0.813 42 P CB 0.541 32.236 31.700 -0.008 0.000 0.778 43 V N 0.808 120.678 119.914 -0.073 0.000 2.379 43 V HA -0.099 4.022 4.120 0.001 0.000 0.243 43 V C 2.764 178.789 176.094 -0.116 0.000 1.035 43 V CA 2.253 64.495 62.300 -0.097 0.000 1.035 43 V CB -1.337 30.434 31.823 -0.087 0.000 0.673 43 V HN 0.279 nan 8.190 nan 0.000 0.457 44 S N -1.121 114.522 115.700 -0.094 0.000 2.503 44 S HA 0.043 4.514 4.470 0.001 0.000 0.217 44 S C 0.860 175.355 174.600 -0.175 0.000 0.999 44 S CA 0.566 58.697 58.200 -0.115 0.000 0.914 44 S CB -0.535 62.622 63.200 -0.073 0.000 0.782 44 S HN 0.663 nan 8.310 nan 0.000 0.520 45 N N 0.598 119.187 118.700 -0.185 0.000 2.776 45 N HA -0.138 4.603 4.740 0.001 0.000 0.250 45 N C -0.439 174.976 175.510 -0.158 0.000 1.112 45 N CA 0.436 53.312 53.050 -0.290 0.000 0.733 45 N CB -1.371 36.741 38.487 -0.625 0.000 1.097 45 N HN 0.419 nan 8.380 nan 0.000 0.558 46 S N -0.261 115.360 115.700 -0.132 0.000 2.623 46 S HA 0.813 5.284 4.470 0.001 0.000 0.278 46 S C -0.213 174.208 174.600 -0.298 0.000 1.148 46 S CA -0.291 57.731 58.200 -0.298 0.000 1.028 46 S CB 0.714 63.722 63.200 -0.319 0.000 1.145 46 S HN 0.368 nan 8.310 nan 0.000 0.523 47 F N -0.574 119.089 119.950 -0.479 0.000 2.713 47 F HA 0.776 5.303 4.527 0.001 0.000 0.311 47 F C -1.625 173.829 175.800 -0.578 0.000 1.141 47 F CA -1.493 56.196 58.000 -0.519 0.000 0.939 47 F CB 0.588 39.426 39.000 -0.270 0.000 1.325 47 F HN 0.585 nan 8.300 nan 0.000 0.453 48 D N -1.652 118.737 120.400 -0.019 0.000 2.523 48 D HA 0.417 5.058 4.640 0.001 0.000 0.236 48 D C -1.574 174.856 176.300 0.217 0.000 1.094 48 D CA -0.566 53.477 54.000 0.071 0.000 0.942 48 D CB 2.060 42.927 40.800 0.111 0.000 1.447 48 D HN 0.509 nan 8.370 nan 0.000 0.479 49 D N -0.116 120.385 120.400 0.168 0.000 2.938 49 D HA 0.062 4.702 4.640 0.001 0.000 0.369 49 D C 0.253 176.601 176.300 0.080 0.000 1.301 49 D CA 0.018 54.104 54.000 0.142 0.000 0.805 49 D CB 0.695 41.575 40.800 0.133 0.000 1.161 49 D HN 0.699 nan 8.370 nan 0.000 0.474 50 E N -0.510 119.750 120.200 0.100 0.000 2.478 50 E HA -0.086 4.265 4.350 0.001 0.000 0.198 50 E C 1.172 177.823 176.600 0.085 0.000 1.046 50 E CA 0.327 56.774 56.400 0.078 0.000 0.870 50 E CB 0.266 30.021 29.700 0.093 0.000 0.818 50 E HN -0.155 nan 8.360 nan 0.000 0.527 51 R N 1.053 121.625 120.500 0.119 0.000 2.696 51 R HA 0.180 4.520 4.340 0.001 0.000 0.355 51 R C -0.436 175.921 176.300 0.095 0.000 1.138 51 R CA -0.163 56.064 56.100 0.212 0.000 1.059 51 R CB -0.684 29.809 30.300 0.322 0.000 1.380 51 R HN 0.169 nan 8.270 nan 0.000 0.578 52 N N -0.622 117.985 118.700 -0.154 0.000 2.828 52 N HA -0.201 4.539 4.740 0.001 0.000 0.248 52 N C 0.417 175.543 175.510 -0.639 0.000 1.044 52 N CA 1.175 53.898 53.050 -0.544 0.000 0.851 52 N CB -1.107 36.697 38.487 -1.138 0.000 1.136 52 N HN 0.556 nan 8.380 nan 0.000 0.572 53 G N -0.982 107.674 108.800 -0.240 0.000 2.198 53 G HA2 -0.281 3.680 3.960 0.001 0.000 0.260 53 G HA3 -0.281 3.680 3.960 0.001 0.000 0.260 53 G C 0.529 175.353 174.900 -0.128 0.000 1.025 53 G CA 0.576 45.584 45.100 -0.154 0.000 0.769 53 G HN 0.494 nan 8.290 nan 0.000 0.507 54 W N -0.203 121.147 121.300 0.084 0.000 3.197 54 W HA 0.426 5.087 4.660 0.001 0.000 0.274 54 W C 1.527 178.197 176.519 0.251 0.000 1.297 54 W CA 0.733 58.067 57.345 -0.018 0.000 1.662 54 W CB -0.132 29.141 29.460 -0.312 0.000 1.106 54 W HN 1.371 nan 8.180 nan 0.000 0.663 55 G N 0.533 109.649 108.800 0.527 0.000 2.455 55 G HA2 -0.264 3.696 3.960 0.001 0.000 0.169 55 G HA3 -0.264 3.696 3.960 0.001 0.000 0.169 55 G C 0.947 176.157 174.900 0.516 0.000 1.074 55 G CA 0.426 45.824 45.100 0.496 0.000 0.796 55 G HN 0.044 nan 8.290 nan 0.000 0.489 56 S N -0.059 115.895 115.700 0.424 0.000 2.389 56 S HA -0.218 4.253 4.470 0.001 0.000 0.229 56 S C 2.704 177.329 174.600 0.041 0.000 1.048 56 S CA 2.814 61.086 58.200 0.119 0.000 1.117 56 S CB -0.261 63.011 63.200 0.119 0.000 1.020 56 S HN 1.025 nan 8.310 nan 0.000 0.430 57 S N 1.336 117.020 115.700 -0.027 0.000 2.399 57 S HA 0.008 4.478 4.470 0.001 0.000 0.231 57 S C 2.165 176.610 174.600 -0.258 0.000 1.022 57 S CA 1.064 59.092 58.200 -0.287 0.000 0.983 57 S CB -0.725 61.945 63.200 -0.883 0.000 0.803 57 S HN 0.725 nan 8.310 nan 0.000 0.480 58 A N 1.428 124.283 122.820 0.057 0.000 1.873 58 A HA -0.034 4.287 4.320 0.001 0.000 0.215 58 A C 1.999 179.729 177.584 0.244 0.000 1.186 58 A CA 1.283 53.525 52.037 0.340 0.000 0.616 58 A CB -0.616 18.795 19.000 0.684 0.000 0.823 58 A HN 0.398 nan 8.150 nan 0.000 0.442 59 I N 0.291 121.025 120.570 0.274 0.000 2.252 59 I HA -0.164 4.006 4.170 0.001 0.000 0.245 59 I C 1.866 178.028 176.117 0.075 0.000 1.102 59 I CA 1.572 62.994 61.300 0.204 0.000 1.385 59 I CB -0.556 37.623 38.000 0.298 0.000 1.064 59 I HN 0.221 nan 8.210 nan 0.000 0.414 60 D N 0.138 120.586 120.400 0.081 0.000 2.178 60 D HA -0.065 4.575 4.640 0.001 0.000 0.202 60 D C 2.230 178.674 176.300 0.239 0.000 0.974 60 D CA 1.353 55.472 54.000 0.197 0.000 0.841 60 D CB -0.256 40.657 40.800 0.188 0.000 0.953 60 D HN 0.331 nan 8.370 nan 0.000 0.478 61 G N -0.228 108.641 108.800 0.115 0.000 3.042 61 G HA2 -0.038 3.922 3.960 0.001 0.000 0.212 61 G HA3 -0.038 3.922 3.960 0.001 0.000 0.212 61 G C 1.367 176.305 174.900 0.063 0.000 1.166 61 G CA -0.029 45.163 45.100 0.152 0.000 0.767 61 G HN 0.207 nan 8.290 nan 0.000 0.546 62 L N 1.967 123.187 121.223 -0.004 0.000 1.994 62 L HA -0.062 4.278 4.340 0.001 0.000 0.208 62 L C 2.377 179.183 176.870 -0.108 0.000 1.071 62 L CA 2.745 57.541 54.840 -0.074 0.000 0.745 62 L CB -0.539 41.504 42.059 -0.026 0.000 0.892 62 L HN 0.309 nan 8.230 nan 0.000 0.431 63 D N -2.458 117.896 120.400 -0.076 0.000 2.219 63 D HA -0.165 4.476 4.640 0.001 0.000 0.205 63 D C 1.751 177.923 176.300 -0.214 0.000 0.970 63 D CA 1.584 55.508 54.000 -0.128 0.000 0.851 63 D CB -0.959 39.812 40.800 -0.047 0.000 0.943 63 D HN 0.367 nan 8.370 nan 0.000 0.488 64 T N 0.171 114.622 114.554 -0.171 0.000 2.821 64 T HA 0.009 4.360 4.350 0.001 0.000 0.267 64 T C 2.088 176.424 174.700 -0.606 0.000 1.046 64 T CA 1.660 63.556 62.100 -0.340 0.000 1.139 64 T CB -0.393 68.338 68.868 -0.228 0.000 0.871 64 T HN 0.400 nan 8.240 nan 0.000 0.454 65 A N 1.033 123.553 122.820 -0.500 0.000 1.930 65 A HA 0.029 4.350 4.320 0.001 0.000 0.217 65 A C 2.256 179.585 177.584 -0.426 0.000 1.175 65 A CA 0.986 52.706 52.037 -0.530 0.000 0.627 65 A CB -0.705 18.105 19.000 -0.318 0.000 0.815 65 A HN 0.509 nan 8.150 nan 0.000 0.443 66 I N -0.222 120.124 120.570 -0.374 0.000 2.142 66 I HA -0.276 3.895 4.170 0.001 0.000 0.240 66 I C 2.321 178.113 176.117 -0.542 0.000 1.078 66 I CA 1.279 62.350 61.300 -0.382 0.000 1.343 66 I CB -0.363 37.403 38.000 -0.389 0.000 1.046 66 I HN 0.290 nan 8.210 nan 0.000 0.405 67 L N -0.287 120.545 121.223 -0.651 0.000 2.131 67 L HA -0.208 4.132 4.340 0.001 0.000 0.210 67 L C 2.465 179.177 176.870 -0.263 0.000 1.092 67 L CA 1.341 55.824 54.840 -0.594 0.000 0.759 67 L CB -0.429 41.395 42.059 -0.391 0.000 0.903 67 L HN 0.312 nan 8.230 nan 0.000 0.435 68 M N -0.796 118.511 119.600 -0.489 0.000 2.562 68 M HA 0.104 4.585 4.480 0.001 0.000 0.257 68 M C 1.307 177.462 176.300 -0.243 0.000 1.099 68 M CA 0.883 55.826 55.300 -0.596 0.000 1.099 68 M CB 0.022 32.084 32.600 -0.896 0.000 1.427 68 M HN 0.413 nan 8.290 nan 0.000 0.489 69 G N 1.186 109.886 108.800 -0.167 0.000 2.149 69 G HA2 -0.179 3.781 3.960 0.001 0.000 0.235 69 G HA3 -0.179 3.781 3.960 0.001 0.000 0.235 69 G C -0.654 174.190 174.900 -0.094 0.000 1.018 69 G CA -0.220 44.846 45.100 -0.057 0.000 0.728 69 G HN 0.434 nan 8.290 nan 0.000 0.508 70 D N 0.742 121.041 120.400 -0.169 0.000 2.558 70 D HA 0.549 5.189 4.640 0.001 0.000 0.221 70 D C 1.623 177.840 176.300 -0.138 0.000 1.143 70 D CA 0.540 54.452 54.000 -0.146 0.000 1.010 70 D CB 0.478 41.169 40.800 -0.182 0.000 1.068 70 D HN 0.444 nan 8.370 nan 0.000 0.511 71 A N 1.895 124.662 122.820 -0.087 0.000 1.917 71 A HA -0.233 4.088 4.320 0.001 0.000 0.219 71 A C 1.734 179.267 177.584 -0.085 0.000 1.182 71 A CA 1.335 53.329 52.037 -0.071 0.000 0.633 71 A CB 0.000 18.978 19.000 -0.036 0.000 0.819 71 A HN 0.267 nan 8.150 nan 0.000 0.448 72 D N 0.065 120.415 120.400 -0.083 0.000 2.097 72 D HA -0.126 4.514 4.640 0.001 0.000 0.195 72 D C 1.886 178.096 176.300 -0.151 0.000 0.989 72 D CA 1.341 55.291 54.000 -0.084 0.000 0.827 72 D CB -0.430 40.337 40.800 -0.055 0.000 0.966 72 D HN 0.545 nan 8.370 nan 0.000 0.456 73 I N 0.584 121.005 120.570 -0.248 0.000 2.179 73 I HA -0.219 3.951 4.170 0.001 0.000 0.242 73 I C 2.474 178.341 176.117 -0.416 0.000 1.088 73 I CA 0.566 61.561 61.300 -0.509 0.000 1.357 73 I CB -0.198 37.339 38.000 -0.772 0.000 1.051 73 I HN -0.121 nan 8.210 nan 0.000 0.409 74 V N 1.405 121.152 119.914 -0.279 0.000 2.332 74 V HA -0.297 3.823 4.120 0.001 0.000 0.248 74 V C 2.204 178.235 176.094 -0.105 0.000 1.055 74 V CA 2.004 64.191 62.300 -0.188 0.000 1.038 74 V CB -0.829 30.910 31.823 -0.140 0.000 0.651 74 V HN 0.469 nan 8.190 nan 0.000 0.450 75 N N -0.106 118.546 118.700 -0.082 0.000 2.106 75 N HA -0.158 4.582 4.740 0.001 0.000 0.188 75 N C 2.081 177.594 175.510 0.005 0.000 1.029 75 N CA 2.010 55.044 53.050 -0.026 0.000 0.848 75 N CB -0.726 37.749 38.487 -0.020 0.000 1.007 75 N HN 0.543 nan 8.380 nan 0.000 0.423 76 T N 0.787 115.328 114.554 -0.023 0.000 2.881 76 T HA -0.000 4.350 4.350 0.001 0.000 0.270 76 T C 1.924 176.694 174.700 0.116 0.000 1.068 76 T CA 0.656 62.775 62.100 0.032 0.000 1.131 76 T CB -0.127 68.717 68.868 -0.040 0.000 0.871 76 T HN 0.141 nan 8.240 nan 0.000 0.479 77 I N 0.018 120.628 120.570 0.066 0.000 2.400 77 I HA 0.028 4.199 4.170 0.001 0.000 0.248 77 I C 2.345 178.607 176.117 0.241 0.000 1.109 77 I CA 0.721 62.142 61.300 0.202 0.000 1.425 77 I CB -0.201 37.839 38.000 0.066 0.000 1.094 77 I HN 0.242 nan 8.210 nan 0.000 0.425 78 L N 0.173 121.472 121.223 0.125 0.000 2.131 78 L HA -0.220 4.120 4.340 0.001 0.000 0.210 78 L C 2.466 179.411 176.870 0.125 0.000 1.092 78 L CA 1.361 56.266 54.840 0.107 0.000 0.759 78 L CB -0.524 41.570 42.059 0.059 0.000 0.903 78 L HN 0.330 nan 8.230 nan 0.000 0.435 79 Q N -1.337 118.553 119.800 0.150 0.000 2.297 79 Q HA -0.215 4.126 4.340 0.001 0.000 0.204 79 Q C 1.897 178.025 176.000 0.214 0.000 0.962 79 Q CA 1.382 57.276 55.803 0.152 0.000 0.879 79 Q CB 0.034 28.860 28.738 0.147 0.000 0.947 79 Q HN 0.578 nan 8.270 nan 0.000 0.462 80 Y N -0.394 120.009 120.300 0.171 0.000 2.347 80 Y HA -0.102 4.449 4.550 0.001 0.000 0.294 80 Y C 1.937 177.911 175.900 0.123 0.000 1.117 80 Y CA 0.390 58.608 58.100 0.195 0.000 1.184 80 Y CB 0.115 38.825 38.460 0.415 0.000 1.047 80 Y HN -0.199 nan 8.280 nan 0.000 0.546 81 V N 2.155 122.020 119.914 -0.082 0.000 2.277 81 V HA -0.311 3.809 4.120 0.001 0.000 0.253 81 V C -0.496 175.464 176.094 -0.224 0.000 1.067 81 V CA 2.637 64.826 62.300 -0.184 0.000 1.047 81 V CB -1.952 29.886 31.823 0.024 0.000 0.649 81 V HN 0.354 nan 8.190 nan 0.000 0.447 82 P HA -0.126 nan 4.420 nan 0.000 0.222 82 P C 1.607 178.817 177.300 -0.150 0.000 1.147 82 P CA 1.041 64.084 63.100 -0.095 0.000 0.790 82 P CB -0.087 31.591 31.700 -0.037 0.000 0.780 83 Q N -0.660 119.006 119.800 -0.222 0.000 2.311 83 Q HA 0.036 4.376 4.340 0.001 0.000 0.203 83 Q C 0.996 176.815 176.000 -0.301 0.000 0.954 83 Q CA 0.442 56.120 55.803 -0.207 0.000 0.885 83 Q CB -0.405 28.260 28.738 -0.121 0.000 0.963 83 Q HN 0.377 nan 8.270 nan 0.000 0.471 84 I N 2.762 123.023 120.570 -0.515 0.000 2.668 84 I HA -0.072 4.098 4.170 0.001 0.000 0.285 84 I C 0.740 176.572 176.117 -0.474 0.000 1.168 84 I CA -0.035 60.913 61.300 -0.587 0.000 1.424 84 I CB 0.059 37.489 38.000 -0.951 0.000 1.377 84 I HN -0.087 nan 8.210 nan 0.000 0.560 85 N N 6.820 125.341 118.700 -0.299 0.000 2.767 85 N HA 0.153 4.893 4.740 0.001 0.000 0.238 85 N C 0.195 175.659 175.510 -0.076 0.000 1.083 85 N CA -0.210 52.762 53.050 -0.131 0.000 0.964 85 N CB 0.314 38.797 38.487 -0.006 0.000 1.252 85 N HN 0.366 nan 8.380 nan 0.000 0.512 86 F N 0.302 120.160 119.950 -0.155 0.000 2.802 86 F HA 0.006 4.533 4.527 0.001 0.000 0.300 86 F C 2.325 178.081 175.800 -0.072 0.000 1.168 86 F CA 0.575 58.365 58.000 -0.349 0.000 1.433 86 F CB -0.152 38.523 39.000 -0.541 0.000 1.115 86 F HN 0.410 nan 8.300 nan 0.000 0.582 87 T N -4.442 110.196 114.554 0.139 0.000 3.129 87 T HA 0.172 4.523 4.350 0.001 0.000 0.251 87 T C 0.732 175.547 174.700 0.192 0.000 1.117 87 T CA 0.539 62.650 62.100 0.019 0.000 1.034 87 T CB -0.024 68.835 68.868 -0.015 0.000 0.968 87 T HN 0.115 nan 8.240 nan 0.000 0.526 88 T N 1.081 115.910 114.554 0.458 0.000 2.739 88 T HA 0.556 4.907 4.350 0.001 0.000 0.303 88 T C -1.733 173.286 174.700 0.531 0.000 1.389 88 T CA -0.212 62.176 62.100 0.481 0.000 1.001 88 T CB 1.596 70.612 68.868 0.247 0.000 1.436 88 T HN 0.407 nan 8.240 nan 0.000 0.500 89 T N 0.084 114.804 114.554 0.278 0.000 2.861 89 T HA 0.727 5.077 4.350 0.001 0.000 0.287 89 T C 1.470 176.166 174.700 -0.007 0.000 1.003 89 T CA -0.028 62.083 62.100 0.018 0.000 0.977 89 T CB 1.463 70.255 68.868 -0.127 0.000 0.996 89 T HN 0.835 nan 8.240 nan 0.000 0.448 90 A N 3.001 125.771 122.820 -0.083 0.000 1.903 90 A HA 0.100 4.421 4.320 0.001 0.000 0.219 90 A C 1.175 178.748 177.584 -0.019 0.000 1.191 90 A CA 1.363 53.374 52.037 -0.042 0.000 0.638 90 A CB -0.938 18.023 19.000 -0.065 0.000 0.823 90 A HN 0.838 nan 8.150 nan 0.000 0.451 91 V N 0.230 120.121 119.914 -0.038 0.000 2.498 91 V HA 0.482 4.603 4.120 0.001 0.000 0.279 91 V C 0.770 176.877 176.094 0.022 0.000 1.048 91 V CA -0.560 61.734 62.300 -0.008 0.000 0.967 91 V CB 0.652 32.464 31.823 -0.018 0.000 0.988 91 V HN 0.571 nan 8.190 nan 0.000 0.473 92 A N 4.571 127.412 122.820 0.035 0.000 2.477 92 A HA 0.296 4.616 4.320 0.001 0.000 0.246 92 A C 1.083 178.711 177.584 0.074 0.000 1.078 92 A CA -0.057 52.012 52.037 0.054 0.000 0.770 92 A CB -0.404 18.617 19.000 0.036 0.000 1.011 92 A HN 1.034 nan 8.150 nan 0.000 0.494 93 N N -0.106 118.660 118.700 0.111 0.000 2.725 93 N HA -0.168 4.572 4.740 0.001 0.000 0.249 93 N C 0.057 175.760 175.510 0.323 0.000 1.103 93 N CA 1.506 54.646 53.050 0.151 0.000 0.707 93 N CB -0.822 37.661 38.487 -0.006 0.000 1.043 93 N HN 0.953 nan 8.380 nan 0.000 0.553 94 Q N 0.335 120.282 119.800 0.244 0.000 2.286 94 Q HA 0.408 4.748 4.340 0.001 0.000 0.257 94 Q C 0.652 176.675 176.000 0.037 0.000 0.941 94 Q CA -0.201 55.681 55.803 0.131 0.000 0.912 94 Q CB 0.681 29.406 28.738 -0.022 0.000 1.192 94 Q HN 0.320 nan 8.270 nan 0.000 0.410 95 G N 2.029 110.771 108.800 -0.096 0.000 2.406 95 G HA2 0.194 4.154 3.960 0.001 0.000 0.251 95 G HA3 0.194 4.154 3.960 0.001 0.000 0.251 95 G C -0.738 173.904 174.900 -0.430 0.000 1.271 95 G CA -0.345 44.402 45.100 -0.588 0.000 0.859 95 G HN 0.473 nan 8.290 nan 0.000 0.540 96 S N 0.780 116.164 115.700 -0.527 0.000 2.498 96 S HA 0.476 4.947 4.470 0.001 0.000 0.317 96 S C 0.253 174.757 174.600 -0.160 0.000 1.090 96 S CA -0.570 57.459 58.200 -0.285 0.000 1.089 96 S CB 1.207 64.207 63.200 -0.333 0.000 0.997 96 S HN 0.776 nan 8.310 nan 0.000 0.470 97 S N 4.521 120.206 115.700 -0.025 0.000 2.455 97 S HA 0.201 4.671 4.470 0.001 0.000 0.278 97 S C 1.374 176.045 174.600 0.118 0.000 1.216 97 S CA -0.756 57.476 58.200 0.054 0.000 1.055 97 S CB 0.221 63.495 63.200 0.122 0.000 0.939 97 S HN 0.647 nan 8.310 nan 0.000 0.494 98 V N 6.665 126.640 119.914 0.101 0.000 2.343 98 V HA -0.121 4.000 4.120 0.001 0.000 0.247 98 V C 1.843 178.073 176.094 0.227 0.000 1.051 98 V CA 2.205 64.591 62.300 0.144 0.000 1.036 98 V CB -1.149 30.702 31.823 0.048 0.000 0.654 98 V HN 0.947 nan 8.190 nan 0.000 0.451 99 F N 1.600 121.601 119.950 0.086 0.000 2.051 99 F HA -0.165 4.362 4.527 0.001 0.000 0.296 99 F C 2.529 178.422 175.800 0.155 0.000 1.122 99 F CA 2.046 60.110 58.000 0.105 0.000 1.201 99 F CB -0.413 38.618 39.000 0.051 0.000 0.978 99 F HN 0.114 nan 8.300 nan 0.000 0.472 100 E N -0.184 120.002 120.200 -0.023 0.000 2.153 100 E HA -0.148 4.202 4.350 0.001 0.000 0.194 100 E C 2.219 178.857 176.600 0.065 0.000 0.988 100 E CA 1.730 58.080 56.400 -0.083 0.000 0.811 100 E CB -0.867 28.912 29.700 0.131 0.000 0.746 100 E HN 0.461 nan 8.360 nan 0.000 0.466 101 T N 0.925 115.604 114.554 0.208 0.000 2.896 101 T HA -0.089 4.261 4.350 0.001 0.000 0.263 101 T C 1.769 176.652 174.700 0.304 0.000 1.050 101 T CA 1.190 63.530 62.100 0.400 0.000 1.140 101 T CB -0.209 68.895 68.868 0.393 0.000 0.877 101 T HN 0.158 nan 8.240 nan 0.000 0.457 102 N N 1.887 120.721 118.700 0.223 0.000 2.058 102 N HA -0.073 4.667 4.740 0.001 0.000 0.191 102 N C 1.934 177.564 175.510 0.201 0.000 1.037 102 N CA 1.537 54.742 53.050 0.257 0.000 0.848 102 N CB -0.418 38.297 38.487 0.380 0.000 1.021 102 N HN 0.566 nan 8.380 nan 0.000 0.422 103 I N -2.475 118.142 120.570 0.077 0.000 2.493 103 I HA -0.097 4.073 4.170 0.001 0.000 0.254 103 I C 1.990 178.216 176.117 0.181 0.000 1.160 103 I CA 1.028 62.388 61.300 0.100 0.000 1.445 103 I CB -0.197 37.727 38.000 -0.128 0.000 1.086 103 I HN 0.104 nan 8.210 nan 0.000 0.433 104 R N 0.079 120.643 120.500 0.107 0.000 2.062 104 R HA 0.077 4.417 4.340 0.001 0.000 0.218 104 R C 2.273 178.588 176.300 0.025 0.000 1.161 104 R CA 1.341 57.489 56.100 0.079 0.000 0.994 104 R CB -0.561 29.659 30.300 -0.135 0.000 0.888 104 R HN 0.330 nan 8.270 nan 0.000 0.442 105 Y N 0.648 121.026 120.300 0.131 0.000 2.130 105 Y HA -0.154 4.396 4.550 0.001 0.000 0.287 105 Y C 2.267 178.112 175.900 -0.091 0.000 1.124 105 Y CA 0.646 58.769 58.100 0.039 0.000 1.118 105 Y CB -0.272 38.191 38.460 0.004 0.000 0.994 105 Y HN -0.056 nan 8.280 nan 0.000 0.497 106 L N -0.046 121.212 121.223 0.058 0.000 2.046 106 L HA -0.126 4.215 4.340 0.001 0.000 0.208 106 L C 2.475 179.349 176.870 0.007 0.000 1.077 106 L CA 2.014 56.797 54.840 -0.095 0.000 0.747 106 L CB -1.238 40.746 42.059 -0.125 0.000 0.896 106 L HN 0.301 nan 8.230 nan 0.000 0.432 107 G N -1.462 107.454 108.800 0.194 0.000 2.414 107 G HA2 -0.187 3.774 3.960 0.001 0.000 0.215 107 G HA3 -0.187 3.774 3.960 0.001 0.000 0.215 107 G C 1.612 176.593 174.900 0.135 0.000 1.188 107 G CA 0.589 45.957 45.100 0.448 0.000 0.783 107 G HN 0.512 nan 8.290 nan 0.000 0.537 108 G N 0.555 109.163 108.800 -0.321 0.000 2.442 108 G HA2 -0.141 3.820 3.960 0.001 0.000 0.219 108 G HA3 -0.141 3.820 3.960 0.001 0.000 0.219 108 G C 1.711 176.495 174.900 -0.193 0.000 1.141 108 G CA 0.939 45.634 45.100 -0.675 0.000 0.763 108 G HN 0.305 nan 8.290 nan 0.000 0.554 109 L N 0.204 121.384 121.223 -0.072 0.000 2.027 109 L HA 0.144 4.485 4.340 0.001 0.000 0.206 109 L C 2.943 179.802 176.870 -0.019 0.000 1.074 109 L CA 1.050 55.867 54.840 -0.039 0.000 0.745 109 L CB -0.920 41.081 42.059 -0.098 0.000 0.898 109 L HN 0.187 nan 8.230 nan 0.000 0.433 110 L N -1.081 120.107 121.223 -0.058 0.000 2.056 110 L HA -0.195 4.145 4.340 0.001 0.000 0.207 110 L C 2.652 179.617 176.870 0.158 0.000 1.078 110 L CA 1.418 56.201 54.840 -0.094 0.000 0.749 110 L CB -0.717 41.034 42.059 -0.514 0.000 0.901 110 L HN 0.402 nan 8.230 nan 0.000 0.433 111 S N 0.248 116.178 115.700 0.384 0.000 2.368 111 S HA -0.183 4.287 4.470 0.001 0.000 0.225 111 S C 2.202 176.917 174.600 0.191 0.000 1.030 111 S CA 0.875 59.327 58.200 0.420 0.000 0.999 111 S CB -0.585 62.803 63.200 0.314 0.000 0.844 111 S HN 0.343 nan 8.310 nan 0.000 0.459 112 A N 0.881 123.760 122.820 0.098 0.000 1.908 112 A HA -0.070 4.250 4.320 0.001 0.000 0.218 112 A C 2.103 179.749 177.584 0.103 0.000 1.181 112 A CA 1.692 53.759 52.037 0.050 0.000 0.627 112 A CB -1.344 17.671 19.000 0.026 0.000 0.818 112 A HN 0.671 nan 8.150 nan 0.000 0.445 113 Y N 0.909 121.216 120.300 0.012 0.000 2.181 113 Y HA -0.208 4.342 4.550 0.001 0.000 0.288 113 Y C 1.932 177.862 175.900 0.050 0.000 1.146 113 Y CA 2.065 60.170 58.100 0.009 0.000 1.164 113 Y CB -0.166 38.273 38.460 -0.035 0.000 0.982 113 Y HN 0.340 nan 8.280 nan 0.000 0.515 114 D N -0.035 120.463 120.400 0.164 0.000 2.144 114 D HA -0.156 4.484 4.640 0.001 0.000 0.200 114 D C 2.288 178.688 176.300 0.167 0.000 0.978 114 D CA 1.361 55.448 54.000 0.146 0.000 0.833 114 D CB -0.254 40.727 40.800 0.302 0.000 0.961 114 D HN 0.397 nan 8.370 nan 0.000 0.470 115 L N 0.093 121.412 121.223 0.161 0.000 2.005 115 L HA -0.094 4.246 4.340 0.001 0.000 0.207 115 L C 2.511 179.462 176.870 0.135 0.000 1.072 115 L CA 0.668 55.603 54.840 0.159 0.000 0.744 115 L CB -0.383 41.672 42.059 -0.006 0.000 0.895 115 L HN 0.010 nan 8.230 nan 0.000 0.433 116 L N -0.689 120.555 121.223 0.034 0.000 2.265 116 L HA -0.134 4.207 4.340 0.001 0.000 0.215 116 L C 2.619 179.451 176.870 -0.063 0.000 1.117 116 L CA 0.644 55.486 54.840 0.003 0.000 0.782 116 L CB -0.399 41.646 42.059 -0.024 0.000 0.914 116 L HN 0.222 nan 8.230 nan 0.000 0.441 117 R N -0.292 120.116 120.500 -0.153 0.000 2.246 117 R HA 0.122 4.462 4.340 0.001 0.000 0.199 117 R C 1.168 177.422 176.300 -0.076 0.000 0.984 117 R CA 0.708 56.685 56.100 -0.205 0.000 1.015 117 R CB 0.197 30.235 30.300 -0.437 0.000 0.930 117 R HN 0.365 nan 8.270 nan 0.000 0.475 118 G N 0.882 109.692 108.800 0.017 0.000 3.434 118 G HA2 0.078 4.039 3.960 0.001 0.000 0.197 118 G HA3 0.078 4.039 3.960 0.001 0.000 0.197 118 G C -1.751 173.180 174.900 0.051 0.000 1.559 118 G CA -0.248 44.897 45.100 0.074 0.000 0.852 118 G HN -0.025 nan 8.290 nan 0.000 0.682 119 P HA -0.009 nan 4.420 nan 0.000 0.223 119 P C 0.098 177.140 177.300 -0.430 0.000 1.144 119 P CA 1.027 64.025 63.100 -0.170 0.000 0.783 119 P CB 0.008 31.597 31.700 -0.186 0.000 0.771 120 F N -0.083 119.846 119.950 -0.035 0.000 2.791 120 F HA 0.149 4.676 4.527 0.001 0.000 0.308 120 F C 2.104 177.876 175.800 -0.047 0.000 1.138 120 F CA -0.153 57.818 58.000 -0.049 0.000 1.294 120 F CB -0.246 38.712 39.000 -0.069 0.000 0.975 120 F HN -0.123 nan 8.300 nan 0.000 0.512 121 S N -0.598 115.131 115.700 0.047 0.000 2.383 121 S HA -0.259 4.211 4.470 0.001 0.000 0.229 121 S C 2.366 176.972 174.600 0.011 0.000 1.030 121 S CA 1.530 59.738 58.200 0.014 0.000 1.002 121 S CB -0.937 62.251 63.200 -0.019 0.000 0.829 121 S HN 0.457 nan 8.310 nan 0.000 0.467 122 S N 2.449 118.150 115.700 0.001 0.000 2.402 122 S HA -0.112 4.358 4.470 0.001 0.000 0.233 122 S C 1.708 176.317 174.600 0.015 0.000 1.030 122 S CA 1.278 59.478 58.200 -0.000 0.000 1.003 122 S CB -0.906 62.286 63.200 -0.014 0.000 0.813 122 S HN 0.395 nan 8.310 nan 0.000 0.477 123 L N 2.069 123.316 121.223 0.040 0.000 1.955 123 L HA 0.144 4.485 4.340 0.001 0.000 0.213 123 L C 1.797 178.673 176.870 0.009 0.000 1.072 123 L CA 1.609 56.466 54.840 0.029 0.000 0.755 123 L CB -1.143 40.940 42.059 0.040 0.000 0.888 123 L HN 0.481 nan 8.230 nan 0.000 0.432 124 A N -1.248 121.578 122.820 0.010 0.000 2.409 124 A HA 0.394 4.714 4.320 0.001 0.000 0.262 124 A C 1.078 178.664 177.584 0.003 0.000 1.113 124 A CA 0.344 52.384 52.037 0.004 0.000 0.790 124 A CB 0.135 19.137 19.000 0.005 0.000 1.046 124 A HN 0.485 nan 8.150 nan 0.000 0.496 125 T N -0.488 114.069 114.554 0.004 0.000 3.034 125 T HA 0.068 4.418 4.350 0.001 0.000 0.248 125 T C 0.701 175.405 174.700 0.007 0.000 1.040 125 T CA 0.243 62.345 62.100 0.004 0.000 1.107 125 T CB -0.204 68.666 68.868 0.004 0.000 0.932 125 T HN 0.508 nan 8.240 nan 0.000 0.474 126 N N 2.287 120.994 118.700 0.011 0.000 2.448 126 N HA 0.100 4.841 4.740 0.001 0.000 0.250 126 N C 0.801 176.323 175.510 0.019 0.000 1.136 126 N CA -0.126 52.933 53.050 0.016 0.000 0.953 126 N CB 1.000 39.499 38.487 0.021 0.000 1.251 126 N HN 0.219 nan 8.380 nan 0.000 0.502 127 Q N 1.565 121.374 119.800 0.016 0.000 2.291 127 Q HA -0.057 4.283 4.340 0.001 0.000 0.205 127 Q C 1.171 177.193 176.000 0.036 0.000 0.970 127 Q CA 1.092 56.907 55.803 0.021 0.000 0.876 127 Q CB -0.208 28.538 28.738 0.013 0.000 0.935 127 Q HN 0.571 nan 8.270 nan 0.000 0.455 128 T N 1.291 115.863 114.554 0.030 0.000 2.821 128 T HA -0.020 4.331 4.350 0.001 0.000 0.267 128 T C 1.966 176.688 174.700 0.037 0.000 1.046 128 T CA 0.640 62.758 62.100 0.030 0.000 1.139 128 T CB -0.055 68.826 68.868 0.021 0.000 0.871 128 T HN 0.197 nan 8.240 nan 0.000 0.454 129 L N 0.605 121.851 121.223 0.038 0.000 2.109 129 L HA -0.028 4.312 4.340 0.001 0.000 0.207 129 L C 2.601 179.509 176.870 0.063 0.000 1.086 129 L CA 0.700 55.567 54.840 0.044 0.000 0.760 129 L CB -0.631 41.455 42.059 0.044 0.000 0.910 129 L HN 0.142 nan 8.230 nan 0.000 0.437 130 V N 0.100 120.057 119.914 0.071 0.000 2.358 130 V HA -0.230 3.890 4.120 0.001 0.000 0.246 130 V C 2.120 178.342 176.094 0.214 0.000 1.047 130 V CA 1.652 64.020 62.300 0.112 0.000 1.035 130 V CB -0.652 31.203 31.823 0.053 0.000 0.658 130 V HN 0.491 nan 8.190 nan 0.000 0.452 131 N N 0.129 118.929 118.700 0.166 0.000 2.309 131 N HA -0.094 4.646 4.740 0.001 0.000 0.182 131 N C 2.033 177.570 175.510 0.044 0.000 1.018 131 N CA 1.377 54.530 53.050 0.171 0.000 0.876 131 N CB -0.267 38.281 38.487 0.102 0.000 0.972 131 N HN 0.379 nan 8.380 nan 0.000 0.434 132 S N 0.961 116.682 115.700 0.036 0.000 2.399 132 S HA -0.028 4.443 4.470 0.001 0.000 0.231 132 S C 1.826 176.407 174.600 -0.032 0.000 1.022 132 S CA 0.411 58.607 58.200 -0.006 0.000 0.983 132 S CB -0.079 63.125 63.200 0.007 0.000 0.803 132 S HN 0.127 nan 8.310 nan 0.000 0.480 133 L N 1.053 122.279 121.223 0.005 0.000 2.013 133 L HA -0.096 4.244 4.340 0.001 0.000 0.212 133 L C 2.197 178.955 176.870 -0.187 0.000 1.073 133 L CA 1.455 56.281 54.840 -0.023 0.000 0.753 133 L CB -1.191 40.923 42.059 0.092 0.000 0.890 133 L HN 0.316 nan 8.230 nan 0.000 0.432 134 L N -0.849 120.158 121.223 -0.360 0.000 2.056 134 L HA -0.138 4.203 4.340 0.001 0.000 0.207 134 L C 2.673 179.332 176.870 -0.352 0.000 1.078 134 L CA 1.528 56.041 54.840 -0.544 0.000 0.749 134 L CB -0.526 40.986 42.059 -0.911 0.000 0.901 134 L HN 0.156 nan 8.230 nan 0.000 0.433 135 R N -0.952 119.407 120.500 -0.235 0.000 2.081 135 R HA -0.140 4.201 4.340 0.001 0.000 0.235 135 R C 2.226 178.421 176.300 -0.174 0.000 1.131 135 R CA 1.484 57.481 56.100 -0.172 0.000 0.960 135 R CB -0.361 29.878 30.300 -0.102 0.000 0.856 135 R HN 0.501 nan 8.270 nan 0.000 0.436 136 Q N -0.025 119.688 119.800 -0.145 0.000 2.119 136 Q HA -0.060 4.280 4.340 0.001 0.000 0.201 136 Q C 2.126 177.906 176.000 -0.367 0.000 0.972 136 Q CA 1.491 57.226 55.803 -0.114 0.000 0.847 136 Q CB -0.167 28.612 28.738 0.067 0.000 0.903 136 Q HN 0.323 nan 8.270 nan 0.000 0.433 137 A N 0.981 123.563 122.820 -0.397 0.000 1.877 137 A HA -0.254 4.066 4.320 0.001 0.000 0.216 137 A C 2.095 179.344 177.584 -0.558 0.000 1.186 137 A CA 1.771 53.495 52.037 -0.521 0.000 0.620 137 A CB -0.633 18.084 19.000 -0.471 0.000 0.822 137 A HN 0.416 nan 8.150 nan 0.000 0.443 138 Q N -0.845 118.673 119.800 -0.470 0.000 2.084 138 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 138 Q C 1.989 177.796 176.000 -0.322 0.000 0.978 138 Q CA 2.118 57.655 55.803 -0.444 0.000 0.844 138 Q CB -0.286 28.280 28.738 -0.285 0.000 0.898 138 Q HN 0.601 nan 8.270 nan 0.000 0.426 139 T N 1.444 115.835 114.554 -0.271 0.000 2.777 139 T HA -0.122 4.229 4.350 0.001 0.000 0.266 139 T C 1.693 176.227 174.700 -0.276 0.000 1.040 139 T CA 1.000 62.976 62.100 -0.207 0.000 1.141 139 T CB -0.203 68.587 68.868 -0.130 0.000 0.868 139 T HN 0.290 nan 8.240 nan 0.000 0.444 140 L N 0.678 121.638 121.223 -0.438 0.000 2.017 140 L HA -0.089 4.251 4.340 0.001 0.000 0.208 140 L C 2.825 179.521 176.870 -0.290 0.000 1.073 140 L CA 1.600 56.143 54.840 -0.494 0.000 0.745 140 L CB -0.664 40.827 42.059 -0.947 0.000 0.894 140 L HN 0.286 nan 8.230 nan 0.000 0.432 141 A N -0.014 122.566 122.820 -0.400 0.000 1.933 141 A HA -0.238 4.082 4.320 0.001 0.000 0.218 141 A C 1.844 179.415 177.584 -0.022 0.000 1.175 141 A CA 1.825 53.629 52.037 -0.388 0.000 0.628 141 A CB -0.657 17.751 19.000 -0.987 0.000 0.814 141 A HN 0.557 nan 8.150 nan 0.000 0.444 142 N N 0.050 118.726 118.700 -0.040 0.000 2.289 142 N HA -0.111 4.630 4.740 0.001 0.000 0.184 142 N C 1.679 177.199 175.510 0.017 0.000 1.016 142 N CA 1.395 54.485 53.050 0.067 0.000 0.872 142 N CB -0.451 38.037 38.487 0.001 0.000 0.973 142 N HN 0.530 nan 8.380 nan 0.000 0.433 143 G N 0.077 108.803 108.800 -0.124 0.000 2.459 143 G HA2 -0.049 3.911 3.960 0.001 0.000 0.213 143 G HA3 -0.049 3.911 3.960 0.001 0.000 0.213 143 G C 1.482 176.497 174.900 0.192 0.000 1.155 143 G CA -0.060 44.863 45.100 -0.294 0.000 0.811 143 G HN 0.104 nan 8.290 nan 0.000 0.534 144 L N 1.700 123.151 121.223 0.379 0.000 2.131 144 L HA -0.001 4.340 4.340 0.001 0.000 0.210 144 L C 2.842 180.002 176.870 0.483 0.000 1.092 144 L CA 1.773 56.919 54.840 0.510 0.000 0.759 144 L CB -0.419 41.965 42.059 0.542 0.000 0.903 144 L HN 0.457 nan 8.230 nan 0.000 0.435 145 K N -1.280 119.490 120.400 0.616 0.000 2.442 145 K HA -0.118 4.202 4.320 0.001 0.000 0.198 145 K C 1.841 178.690 176.600 0.414 0.000 1.044 145 K CA 1.156 57.858 56.287 0.692 0.000 0.948 145 K CB -0.682 32.240 32.500 0.704 0.000 0.762 145 K HN 0.203 nan 8.250 nan 0.000 0.472 146 V N 1.282 121.363 119.914 0.279 0.000 2.913 146 V HA -0.124 3.996 4.120 0.001 0.000 0.260 146 V C 2.275 178.439 176.094 0.117 0.000 1.098 146 V CA 1.627 64.046 62.300 0.198 0.000 1.121 146 V CB -0.471 31.471 31.823 0.198 0.000 0.714 146 V HN 0.524 nan 8.190 nan 0.000 0.487 147 A N -0.701 122.122 122.820 0.004 0.000 2.070 147 A HA -0.080 4.240 4.320 0.001 0.000 0.220 147 A C 1.718 179.136 177.584 -0.276 0.000 1.159 147 A CA 1.539 53.460 52.037 -0.192 0.000 0.656 147 A CB -0.712 18.061 19.000 -0.378 0.000 0.800 147 A HN 0.632 nan 8.150 nan 0.000 0.453 148 F N 0.340 120.309 119.950 0.032 0.000 2.797 148 F HA 0.031 4.558 4.527 0.001 0.000 0.302 148 F C 1.912 177.732 175.800 0.033 0.000 1.130 148 F CA 0.920 58.926 58.000 0.010 0.000 1.387 148 F CB -0.021 38.971 39.000 -0.013 0.000 1.107 148 F HN 0.224 nan 8.300 nan 0.000 0.577 149 T N -1.945 112.707 114.554 0.163 0.000 3.406 149 T HA 0.076 4.427 4.350 0.001 0.000 0.244 149 T C 0.615 175.364 174.700 0.081 0.000 0.949 149 T CA -0.243 61.930 62.100 0.122 0.000 0.926 149 T CB -1.373 67.559 68.868 0.107 0.000 1.089 149 T HN 0.134 nan 8.240 nan 0.000 0.604 150 T N -1.256 113.341 114.554 0.073 0.000 2.899 150 T HA 0.399 4.749 4.350 0.001 0.000 0.284 150 T C -1.708 173.015 174.700 0.038 0.000 1.004 150 T CA -1.792 60.329 62.100 0.035 0.000 1.043 150 T CB 1.080 69.949 68.868 0.003 0.000 1.013 150 T HN -0.140 nan 8.240 nan 0.000 0.518 151 P HA -0.098 nan 4.420 nan 0.000 0.218 151 P C 1.492 178.807 177.300 0.025 0.000 1.146 151 P CA 1.154 64.264 63.100 0.017 0.000 0.813 151 P CB 0.039 31.738 31.700 -0.002 0.000 0.778 152 S N -3.365 112.334 115.700 -0.001 0.000 2.514 152 S HA 0.354 4.824 4.470 0.001 0.000 0.223 152 S C 1.697 176.380 174.600 0.139 0.000 1.046 152 S CA 0.619 58.820 58.200 0.002 0.000 0.914 152 S CB -0.301 62.738 63.200 -0.267 0.000 0.807 152 S HN 0.243 nan 8.310 nan 0.000 0.497 153 G N 0.608 109.482 108.800 0.123 0.000 2.201 153 G HA2 -0.201 3.759 3.960 0.001 0.000 0.212 153 G HA3 -0.201 3.759 3.960 0.001 0.000 0.212 153 G C 0.021 175.077 174.900 0.260 0.000 0.994 153 G CA -0.120 45.113 45.100 0.222 0.000 0.644 153 G HN 0.650 nan 8.290 nan 0.000 0.508 154 V N 4.209 124.186 119.914 0.104 0.000 2.521 154 V HA 0.337 4.458 4.120 0.001 0.000 0.286 154 V C -0.992 175.115 176.094 0.022 0.000 1.034 154 V CA -0.771 61.559 62.300 0.050 0.000 1.045 154 V CB 1.095 32.829 31.823 -0.149 0.000 0.974 154 V HN 0.298 nan 8.190 nan 0.000 0.480 155 P HA -0.017 nan 4.420 nan 0.000 0.265 155 P C -0.588 176.590 177.300 -0.204 0.000 1.193 155 P CA -0.036 62.882 63.100 -0.302 0.000 0.765 155 P CB 0.653 32.080 31.700 -0.456 0.000 0.823 156 D N 4.491 124.765 120.400 -0.209 0.000 2.308 156 D HA 0.081 4.721 4.640 0.001 0.000 0.251 156 D C -1.175 175.056 176.300 -0.116 0.000 1.127 156 D CA -2.228 51.705 54.000 -0.113 0.000 0.876 156 D CB 1.055 41.816 40.800 -0.064 0.000 1.176 156 D HN 0.210 nan 8.370 nan 0.000 0.446 157 P HA -0.041 nan 4.420 nan 0.000 0.221 157 P C -0.012 177.261 177.300 -0.045 0.000 1.150 157 P CA 0.560 63.633 63.100 -0.045 0.000 0.800 157 P CB 0.380 32.066 31.700 -0.024 0.000 0.787 158 T N 0.968 115.484 114.554 -0.062 0.000 2.848 158 T HA 0.475 4.825 4.350 0.001 0.000 0.285 158 T C -0.139 174.462 174.700 -0.165 0.000 0.995 158 T CA -0.536 61.480 62.100 -0.140 0.000 0.970 158 T CB 2.266 71.043 68.868 -0.151 0.000 0.976 158 T HN -0.113 nan 8.240 nan 0.000 0.441 159 V N 0.055 119.797 119.914 -0.287 0.000 3.155 159 V HA 0.963 5.084 4.120 0.001 0.000 0.313 159 V C -1.677 174.121 176.094 -0.494 0.000 1.162 159 V CA -1.220 60.992 62.300 -0.148 0.000 1.048 159 V CB 1.788 33.662 31.823 0.085 0.000 1.092 159 V HN 0.727 nan 8.190 nan 0.000 0.447 160 F N -0.646 119.364 119.950 0.099 0.000 2.601 160 F HA 0.679 5.206 4.527 0.001 0.000 0.309 160 F C 0.292 176.323 175.800 0.385 0.000 1.089 160 F CA -0.750 57.302 58.000 0.087 0.000 0.940 160 F CB 2.010 41.062 39.000 0.085 0.000 1.273 160 F HN 0.433 nan 8.300 nan 0.000 0.450 161 F N -0.910 119.220 119.950 0.300 0.000 2.592 161 F HA 0.174 4.701 4.527 0.001 0.000 0.280 161 F C 0.826 176.736 175.800 0.183 0.000 1.083 161 F CA -0.265 57.872 58.000 0.228 0.000 1.365 161 F CB 0.505 39.655 39.000 0.250 0.000 1.100 161 F HN 0.349 nan 8.300 nan 0.000 0.633 162 N N 2.342 121.263 118.700 0.367 0.000 2.408 162 N HA 0.186 4.926 4.740 0.001 0.000 0.280 162 N C -2.083 173.522 175.510 0.160 0.000 1.002 162 N CA -2.371 50.813 53.050 0.222 0.000 0.907 162 N CB 1.790 40.383 38.487 0.177 0.000 1.161 162 N HN -0.111 nan 8.380 nan 0.000 0.488 163 P HA 0.063 nan 4.420 nan 0.000 0.245 163 P C -0.331 177.031 177.300 0.103 0.000 1.206 163 P CA 0.482 63.637 63.100 0.092 0.000 0.781 163 P CB 0.341 32.072 31.700 0.052 0.000 0.994 164 T N -3.572 111.056 114.554 0.124 0.000 2.883 164 T HA 0.421 4.771 4.350 0.001 0.000 0.296 164 T C -0.508 174.314 174.700 0.203 0.000 1.117 164 T CA -0.772 61.403 62.100 0.125 0.000 1.006 164 T CB 1.635 70.549 68.868 0.077 0.000 1.191 164 T HN -0.267 nan 8.240 nan 0.000 0.508 165 V N 2.608 122.633 119.914 0.186 0.000 2.405 165 V HA 0.429 4.549 4.120 0.001 0.000 0.264 165 V C 0.475 176.709 176.094 0.234 0.000 1.048 165 V CA -0.173 62.281 62.300 0.257 0.000 0.966 165 V CB -0.551 31.358 31.823 0.144 0.000 1.015 165 V HN 0.739 nan 8.190 nan 0.000 0.477 166 R N 3.857 124.545 120.500 0.315 0.000 2.867 166 R HA 0.683 5.023 4.340 0.001 0.000 0.268 166 R C -0.607 175.899 176.300 0.343 0.000 1.014 166 R CA -1.073 55.184 56.100 0.261 0.000 0.946 166 R CB 2.573 32.971 30.300 0.163 0.000 1.208 166 R HN 0.512 nan 8.270 nan 0.000 0.477 167 R N -0.168 120.479 120.500 0.244 0.000 2.668 167 R HA 0.170 4.510 4.340 0.001 0.000 0.279 167 R C 1.061 177.513 176.300 0.253 0.000 0.976 167 R CA -0.127 56.098 56.100 0.208 0.000 0.978 167 R CB 1.656 32.026 30.300 0.116 0.000 1.133 167 R HN 0.846 nan 8.270 nan 0.000 0.484 168 S N 0.852 116.703 115.700 0.252 0.000 2.387 168 S HA 0.018 4.488 4.470 0.001 0.000 0.226 168 S C 1.259 175.933 174.600 0.123 0.000 1.026 168 S CA 0.850 59.213 58.200 0.272 0.000 0.972 168 S CB 0.137 63.468 63.200 0.219 0.000 0.814 168 S HN 0.974 nan 8.310 nan 0.000 0.477 169 G N 0.990 109.835 108.800 0.075 0.000 2.134 169 G HA2 0.051 4.012 3.960 0.001 0.000 0.209 169 G HA3 0.051 4.012 3.960 0.001 0.000 0.209 169 G C 0.202 175.110 174.900 0.014 0.000 0.993 169 G CA -0.027 45.095 45.100 0.036 0.000 0.669 169 G HN 1.241 nan 8.290 nan 0.000 0.519 170 A N 0.106 122.933 122.820 0.012 0.000 2.520 170 A HA 0.645 4.966 4.320 0.001 0.000 0.235 170 A C 1.621 179.184 177.584 -0.034 0.000 1.065 170 A CA 1.288 53.318 52.037 -0.012 0.000 0.764 170 A CB 0.357 19.348 19.000 -0.015 0.000 1.002 170 A HN 0.998 nan 8.150 nan 0.000 0.502 171 S N -0.046 115.624 115.700 -0.049 0.000 2.436 171 S HA 0.093 4.563 4.470 0.001 0.000 0.228 171 S C 0.893 175.445 174.600 -0.080 0.000 1.014 171 S CA 0.875 59.037 58.200 -0.064 0.000 0.950 171 S CB -0.301 62.856 63.200 -0.071 0.000 0.784 171 S HN 1.230 nan 8.310 nan 0.000 0.504 172 S N 0.318 115.970 115.700 -0.079 0.000 2.656 172 S HA 0.700 5.170 4.470 0.001 0.000 0.273 172 S C -1.295 173.284 174.600 -0.034 0.000 1.168 172 S CA -0.940 57.216 58.200 -0.073 0.000 0.817 172 S CB 1.817 64.969 63.200 -0.081 0.000 1.146 172 S HN 0.123 nan 8.310 nan 0.000 0.475 173 N N 0.488 119.184 118.700 -0.007 0.000 2.610 173 N HA 0.425 5.165 4.740 0.001 0.000 0.264 173 N C -1.873 173.652 175.510 0.025 0.000 1.348 173 N CA -0.575 52.477 53.050 0.003 0.000 0.819 173 N CB 2.056 40.499 38.487 -0.073 0.000 1.521 173 N HN 0.916 nan 8.380 nan 0.000 0.497 174 N N 0.134 118.798 118.700 -0.059 0.000 2.508 174 N HA 0.155 4.895 4.740 0.001 0.000 0.285 174 N C 0.749 176.066 175.510 -0.321 0.000 1.144 174 N CA -0.460 52.419 53.050 -0.286 0.000 0.978 174 N CB 1.501 39.730 38.487 -0.431 0.000 1.180 174 N HN 0.176 nan 8.380 nan 0.000 0.484 175 V N 1.341 121.015 119.914 -0.401 0.000 2.380 175 V HA -0.286 3.834 4.120 0.001 0.000 0.251 175 V C 2.539 178.433 176.094 -0.334 0.000 1.063 175 V CA 2.557 64.601 62.300 -0.426 0.000 1.055 175 V CB -1.109 30.387 31.823 -0.545 0.000 0.657 175 V HN 0.903 nan 8.190 nan 0.000 0.455 176 A N -0.520 122.089 122.820 -0.352 0.000 1.858 176 A HA -0.238 4.082 4.320 0.001 0.000 0.216 176 A C 2.124 179.473 177.584 -0.391 0.000 1.190 176 A CA 1.835 53.663 52.037 -0.348 0.000 0.617 176 A CB -0.468 18.253 19.000 -0.464 0.000 0.827 176 A HN 0.632 nan 8.150 nan 0.000 0.443 177 E N -0.574 119.339 120.200 -0.479 0.000 2.268 177 E HA -0.072 4.278 4.350 0.001 0.000 0.195 177 E C 1.765 178.336 176.600 -0.048 0.000 0.995 177 E CA 0.857 57.059 56.400 -0.331 0.000 0.836 177 E CB -0.194 29.337 29.700 -0.282 0.000 0.763 177 E HN 0.717 nan 8.360 nan 0.000 0.491 178 I N 0.221 120.742 120.570 -0.081 0.000 2.339 178 I HA -0.058 4.112 4.170 0.001 0.000 0.245 178 I C 2.252 178.431 176.117 0.104 0.000 1.096 178 I CA 0.888 62.184 61.300 -0.005 0.000 1.408 178 I CB -0.058 37.900 38.000 -0.069 0.000 1.092 178 I HN 0.056 nan 8.210 nan 0.000 0.423 179 G N -0.493 108.381 108.800 0.123 0.000 3.181 179 G HA2 -0.010 3.951 3.960 0.001 0.000 0.219 179 G HA3 -0.010 3.951 3.960 0.001 0.000 0.219 179 G C 0.796 175.872 174.900 0.292 0.000 1.182 179 G CA 0.026 45.316 45.100 0.317 0.000 0.791 179 G HN 0.252 nan 8.290 nan 0.000 0.537 180 S N 0.113 115.948 115.700 0.225 0.000 2.526 180 S HA 0.371 4.841 4.470 0.001 0.000 0.245 180 S C 1.073 175.975 174.600 0.503 0.000 1.103 180 S CA -0.393 57.918 58.200 0.185 0.000 1.095 180 S CB 0.147 63.435 63.200 0.147 0.000 0.826 180 S HN 0.292 nan 8.310 nan 0.000 0.468 181 L N -0.227 121.275 121.223 0.466 0.000 2.766 181 L HA 0.126 4.466 4.340 0.001 0.000 0.241 181 L C 2.169 179.270 176.870 0.386 0.000 1.080 181 L CA 0.136 55.216 54.840 0.399 0.000 0.909 181 L CB -0.505 41.627 42.059 0.121 0.000 1.277 181 L HN 0.307 nan 8.230 nan 0.000 0.510 182 V N -1.211 118.899 119.914 0.327 0.000 2.324 182 V HA -0.300 3.821 4.120 0.001 0.000 0.250 182 V C 2.405 178.533 176.094 0.056 0.000 1.060 182 V CA 1.880 64.310 62.300 0.217 0.000 1.042 182 V CB -0.830 31.140 31.823 0.244 0.000 0.650 182 V HN 0.359 nan 8.190 nan 0.000 0.450 183 L N 0.997 122.185 121.223 -0.059 0.000 2.005 183 L HA -0.073 4.268 4.340 0.001 0.000 0.207 183 L C 2.475 179.274 176.870 -0.118 0.000 1.072 183 L CA 2.231 56.902 54.840 -0.281 0.000 0.744 183 L CB -0.858 40.886 42.059 -0.526 0.000 0.895 183 L HN 0.338 nan 8.230 nan 0.000 0.433 184 E N -1.055 119.230 120.200 0.142 0.000 2.077 184 E HA -0.219 4.131 4.350 0.001 0.000 0.193 184 E C 1.850 178.417 176.600 -0.056 0.000 0.989 184 E CA 1.922 58.358 56.400 0.060 0.000 0.800 184 E CB -0.485 29.365 29.700 0.250 0.000 0.746 184 E HN 0.568 nan 8.360 nan 0.000 0.452 185 W N 0.565 121.833 121.300 -0.053 0.000 2.418 185 W HA -0.026 4.634 4.660 0.000 0.000 0.292 185 W C 2.309 178.802 176.519 -0.045 0.000 1.213 185 W CA 1.326 58.654 57.345 -0.028 0.000 1.283 185 W CB -0.819 28.695 29.460 0.089 0.000 1.119 185 W HN 0.001 nan 8.180 nan 0.000 0.542 186 T N -0.073 114.546 114.554 0.109 0.000 2.821 186 T HA -0.185 4.165 4.350 0.001 0.000 0.267 186 T C 1.831 176.490 174.700 -0.068 0.000 1.046 186 T CA 1.546 63.670 62.100 0.040 0.000 1.139 186 T CB -0.197 68.648 68.868 -0.038 0.000 0.871 186 T HN -0.114 nan 8.240 nan 0.000 0.454 187 R N 1.158 121.489 120.500 -0.282 0.000 2.091 187 R HA 0.007 4.347 4.340 0.001 0.000 0.238 187 R C 2.167 178.336 176.300 -0.218 0.000 1.136 187 R CA 1.193 57.115 56.100 -0.296 0.000 0.959 187 R CB -1.138 28.816 30.300 -0.576 0.000 0.856 187 R HN 0.327 nan 8.270 nan 0.000 0.437 188 L N 0.070 121.116 121.223 -0.295 0.000 2.046 188 L HA -0.092 4.249 4.340 0.001 0.000 0.208 188 L C 2.022 178.809 176.870 -0.139 0.000 1.077 188 L CA 1.951 56.579 54.840 -0.354 0.000 0.747 188 L CB -0.743 40.922 42.059 -0.656 0.000 0.896 188 L HN 0.169 nan 8.230 nan 0.000 0.432 189 S N -0.438 115.284 115.700 0.036 0.000 2.356 189 S HA -0.177 4.294 4.470 0.001 0.000 0.223 189 S C 1.561 176.210 174.600 0.081 0.000 1.032 189 S CA 1.378 59.672 58.200 0.158 0.000 1.005 189 S CB -0.414 62.896 63.200 0.183 0.000 0.867 189 S HN 0.544 nan 8.310 nan 0.000 0.449 190 D N 0.949 121.392 120.400 0.073 0.000 2.144 190 D HA -0.032 4.609 4.640 0.001 0.000 0.199 190 D C 1.712 178.033 176.300 0.035 0.000 0.984 190 D CA 0.638 54.684 54.000 0.077 0.000 0.834 190 D CB -0.272 40.617 40.800 0.148 0.000 0.955 190 D HN 0.179 nan 8.370 nan 0.000 0.465 191 L N 0.323 121.542 121.223 -0.006 0.000 2.240 191 L HA -0.012 4.329 4.340 0.001 0.000 0.211 191 L C 2.244 179.083 176.870 -0.051 0.000 1.106 191 L CA 1.373 56.195 54.840 -0.030 0.000 0.793 191 L CB -0.640 41.359 42.059 -0.099 0.000 0.927 191 L HN 0.146 nan 8.230 nan 0.000 0.446 192 T N -5.823 108.702 114.554 -0.048 0.000 3.014 192 T HA 0.318 4.669 4.350 0.001 0.000 0.250 192 T C 1.498 176.205 174.700 0.012 0.000 1.060 192 T CA 0.468 62.550 62.100 -0.030 0.000 1.040 192 T CB 0.381 69.243 68.868 -0.011 0.000 0.971 192 T HN 0.326 nan 8.240 nan 0.000 0.497 193 G N 1.738 110.554 108.800 0.027 0.000 2.179 193 G HA2 -0.253 3.708 3.960 0.001 0.000 0.260 193 G HA3 -0.253 3.708 3.960 0.001 0.000 0.260 193 G C -0.011 174.903 174.900 0.022 0.000 0.977 193 G CA 0.029 45.142 45.100 0.022 0.000 0.641 193 G HN 0.754 nan 8.290 nan 0.000 0.533 194 N N 1.092 119.822 118.700 0.050 0.000 2.462 194 N HA 0.403 5.144 4.740 0.001 0.000 0.242 194 N C -0.716 174.788 175.510 -0.010 0.000 1.010 194 N CA -1.942 51.105 53.050 -0.004 0.000 0.939 194 N CB 1.763 40.249 38.487 -0.001 0.000 1.127 194 N HN 0.137 nan 8.380 nan 0.000 0.509 195 P HA -0.082 nan 4.420 nan 0.000 0.233 195 P C 0.704 177.970 177.300 -0.055 0.000 1.167 195 P CA 0.703 63.797 63.100 -0.011 0.000 0.770 195 P CB 0.641 32.335 31.700 -0.010 0.000 0.837 196 Q N -0.112 119.573 119.800 -0.192 0.000 2.096 196 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 196 Q C 2.315 178.232 176.000 -0.138 0.000 0.982 196 Q CA 1.667 57.334 55.803 -0.226 0.000 0.850 196 Q CB -1.316 27.213 28.738 -0.348 0.000 0.901 196 Q HN 0.478 nan 8.270 nan 0.000 0.422 197 Y N 0.896 121.271 120.300 0.125 0.000 2.128 197 Y HA -0.246 4.304 4.550 0.001 0.000 0.284 197 Y C 2.625 178.698 175.900 0.289 0.000 1.154 197 Y CA 1.034 59.329 58.100 0.325 0.000 1.149 197 Y CB -0.596 37.957 38.460 0.154 0.000 0.976 197 Y HN 0.158 nan 8.280 nan 0.000 0.505 198 A N 0.082 123.087 122.820 0.307 0.000 1.898 198 A HA -0.246 4.074 4.320 0.001 0.000 0.216 198 A C 2.092 179.739 177.584 0.105 0.000 1.181 198 A CA 1.734 53.902 52.037 0.218 0.000 0.620 198 A CB -0.760 18.355 19.000 0.191 0.000 0.819 198 A HN 0.543 nan 8.150 nan 0.000 0.442 199 Q N -0.349 119.478 119.800 0.045 0.000 2.061 199 Q HA -0.146 4.194 4.340 0.001 0.000 0.204 199 Q C 2.098 178.035 176.000 -0.106 0.000 0.984 199 Q CA 1.689 57.484 55.803 -0.013 0.000 0.846 199 Q CB -0.374 28.346 28.738 -0.031 0.000 0.902 199 Q HN 0.685 nan 8.270 nan 0.000 0.421 200 L N -0.144 120.940 121.223 -0.232 0.000 2.046 200 L HA -0.183 4.157 4.340 0.001 0.000 0.208 200 L C 2.497 178.839 176.870 -0.880 0.000 1.077 200 L CA 1.013 55.480 54.840 -0.622 0.000 0.747 200 L CB -0.596 40.923 42.059 -0.899 0.000 0.896 200 L HN 0.233 nan 8.230 nan 0.000 0.432 201 A N -0.453 121.991 122.820 -0.625 0.000 1.898 201 A HA -0.208 4.112 4.320 0.001 0.000 0.216 201 A C 2.206 179.779 177.584 -0.018 0.000 1.181 201 A CA 1.295 53.127 52.037 -0.342 0.000 0.620 201 A CB -0.401 18.535 19.000 -0.107 0.000 0.819 201 A HN 0.472 nan 8.150 nan 0.000 0.442 202 Q N -0.725 119.110 119.800 0.058 0.000 2.224 202 Q HA -0.164 4.177 4.340 0.001 0.000 0.203 202 Q C 2.038 178.109 176.000 0.119 0.000 0.970 202 Q CA 1.471 57.386 55.803 0.188 0.000 0.865 202 Q CB -0.142 28.741 28.738 0.241 0.000 0.922 202 Q HN 0.599 nan 8.270 nan 0.000 0.445 203 K N 0.950 121.367 120.400 0.029 0.000 2.009 203 K HA -0.135 4.185 4.320 0.001 0.000 0.210 203 K C 1.996 178.666 176.600 0.116 0.000 1.049 203 K CA 1.833 58.135 56.287 0.026 0.000 0.929 203 K CB -0.864 31.639 32.500 0.006 0.000 0.714 203 K HN 0.209 nan 8.250 nan 0.000 0.440 204 G N 0.085 108.996 108.800 0.185 0.000 2.442 204 G HA2 -0.310 3.650 3.960 0.001 0.000 0.219 204 G HA3 -0.310 3.650 3.960 0.001 0.000 0.219 204 G C 1.531 176.597 174.900 0.277 0.000 1.141 204 G CA 1.161 46.445 45.100 0.307 0.000 0.763 204 G HN 0.528 nan 8.290 nan 0.000 0.554 205 E N 0.684 121.009 120.200 0.210 0.000 2.150 205 E HA -0.050 4.300 4.350 0.001 0.000 0.193 205 E C 2.652 179.337 176.600 0.143 0.000 0.985 205 E CA 1.122 57.642 56.400 0.199 0.000 0.814 205 E CB -0.249 29.594 29.700 0.238 0.000 0.752 205 E HN 0.300 nan 8.360 nan 0.000 0.466 206 S N -0.207 115.537 115.700 0.073 0.000 2.368 206 S HA -0.241 4.230 4.470 0.001 0.000 0.226 206 S C 1.586 176.170 174.600 -0.026 0.000 1.044 206 S CA 1.705 59.878 58.200 -0.044 0.000 1.062 206 S CB -0.681 62.366 63.200 -0.254 0.000 0.931 206 S HN 0.438 nan 8.310 nan 0.000 0.440 207 Y N 0.891 121.241 120.300 0.084 0.000 2.241 207 Y HA -0.109 4.441 4.550 0.001 0.000 0.286 207 Y C 1.978 177.978 175.900 0.166 0.000 1.166 207 Y CA 0.584 58.737 58.100 0.088 0.000 1.203 207 Y CB -0.457 38.009 38.460 0.010 0.000 0.977 207 Y HN 0.165 nan 8.280 nan 0.000 0.529 208 L N -1.015 120.372 121.223 0.274 0.000 2.395 208 L HA -0.063 4.277 4.340 0.001 0.000 0.218 208 L C 1.816 178.837 176.870 0.252 0.000 1.130 208 L CA 1.178 56.172 54.840 0.257 0.000 0.826 208 L CB -0.706 41.376 42.059 0.038 0.000 0.941 208 L HN 0.260 nan 8.230 nan 0.000 0.451 209 L N -1.239 120.105 121.223 0.202 0.000 2.446 209 L HA 0.082 4.422 4.340 0.001 0.000 0.219 209 L C 0.607 177.582 176.870 0.175 0.000 1.116 209 L CA 0.318 55.260 54.840 0.170 0.000 0.844 209 L CB -0.089 42.055 42.059 0.143 0.000 0.970 209 L HN 0.264 nan 8.230 nan 0.000 0.457 210 N N 0.433 119.236 118.700 0.173 0.000 2.711 210 N HA 0.174 4.915 4.740 0.001 0.000 0.263 210 N C -2.602 173.005 175.510 0.161 0.000 1.667 210 N CA -1.813 51.324 53.050 0.144 0.000 0.785 210 N CB 0.738 39.301 38.487 0.126 0.000 1.231 210 N HN -0.142 nan 8.380 nan 0.000 0.503 211 P HA 0.002 nan 4.420 nan 0.000 0.261 211 P C -0.741 176.636 177.300 0.128 0.000 1.173 211 P CA 0.634 63.801 63.100 0.112 0.000 0.760 211 P CB 0.887 32.323 31.700 -0.440 0.000 0.783 212 K N 1.511 122.085 120.400 0.290 0.000 2.482 212 K HA 0.644 4.965 4.320 0.001 0.000 0.257 212 K C 0.362 177.100 176.600 0.230 0.000 0.969 212 K CA -0.371 56.032 56.287 0.194 0.000 0.842 212 K CB 2.356 34.961 32.500 0.175 0.000 1.359 212 K HN 0.751 nan 8.250 nan 0.000 0.441 213 G N 0.842 109.723 108.800 0.135 0.000 2.516 213 G HA2 -0.261 3.700 3.960 0.001 0.000 0.220 213 G HA3 -0.261 3.700 3.960 0.001 0.000 0.220 213 G C -0.449 174.508 174.900 0.096 0.000 1.165 213 G CA -0.192 44.980 45.100 0.121 0.000 1.013 213 G HN 0.560 nan 8.290 nan 0.000 0.590 214 S N 2.789 118.560 115.700 0.119 0.000 2.575 214 S HA 0.428 4.898 4.470 0.001 0.000 0.295 214 S C -1.744 172.861 174.600 0.008 0.000 1.267 214 S CA 0.203 58.445 58.200 0.069 0.000 1.074 214 S CB 0.265 63.527 63.200 0.102 0.000 0.829 214 S HN 0.526 nan 8.310 nan 0.000 0.497 215 P HA 0.073 nan 4.420 nan 0.000 0.267 215 P C -0.511 176.710 177.300 -0.133 0.000 1.200 215 P CA -0.154 62.895 63.100 -0.084 0.000 0.772 215 P CB 0.249 31.902 31.700 -0.078 0.000 0.855 216 E N 2.102 122.198 120.200 -0.173 0.000 2.360 216 E HA 0.261 4.611 4.350 0.001 0.000 0.269 216 E C 0.699 177.192 176.600 -0.179 0.000 1.022 216 E CA -0.601 55.689 56.400 -0.183 0.000 0.887 216 E CB 0.806 30.396 29.700 -0.183 0.000 0.990 216 E HN 0.364 nan 8.360 nan 0.000 0.426 217 A N 4.734 127.453 122.820 -0.168 0.000 1.892 217 A HA -0.114 4.206 4.320 0.001 0.000 0.218 217 A C 0.298 177.508 177.584 -0.623 0.000 1.188 217 A CA 0.988 52.790 52.037 -0.392 0.000 0.631 217 A CB -0.347 18.461 19.000 -0.320 0.000 0.822 217 A HN 0.791 nan 8.150 nan 0.000 0.447 218 W N -1.846 119.301 121.300 -0.255 0.000 3.062 218 W HA 0.375 5.035 4.660 0.001 0.000 0.336 218 W C -2.772 173.644 176.519 -0.172 0.000 1.224 218 W CA -2.391 54.808 57.345 -0.243 0.000 1.159 218 W CB 0.987 30.252 29.460 -0.325 0.000 1.454 218 W HN -0.091 nan 8.180 nan 0.000 0.569 219 P HA 0.080 nan 4.420 nan 0.000 0.261 219 P C 0.739 178.055 177.300 0.027 0.000 1.203 219 P CA 1.779 64.907 63.100 0.046 0.000 0.767 219 P CB 0.275 32.003 31.700 0.046 0.000 0.785 220 G N 3.107 111.918 108.800 0.018 0.000 2.258 220 G HA2 -0.227 3.734 3.960 0.001 0.000 0.233 220 G HA3 -0.227 3.734 3.960 0.001 0.000 0.233 220 G C -0.003 174.961 174.900 0.106 0.000 1.006 220 G CA -0.323 44.800 45.100 0.039 0.000 0.620 220 G HN 0.495 nan 8.290 nan 0.000 0.511 221 L N 3.024 124.279 121.223 0.054 0.000 2.315 221 L HA 0.507 4.848 4.340 0.001 0.000 0.278 221 L C 1.351 178.293 176.870 0.121 0.000 1.088 221 L CA -0.834 54.064 54.840 0.097 0.000 0.899 221 L CB 0.208 42.122 42.059 -0.242 0.000 1.277 221 L HN 0.442 nan 8.230 nan 0.000 0.431 222 I N -1.067 119.595 120.570 0.154 0.000 3.276 222 I HA 0.641 4.812 4.170 0.001 0.000 0.306 222 I C 0.982 177.118 176.117 0.032 0.000 1.060 222 I CA -0.564 60.655 61.300 -0.135 0.000 1.133 222 I CB 0.469 38.230 38.000 -0.397 0.000 1.473 222 I HN 0.356 nan 8.210 nan 0.000 0.649 223 G N 0.395 109.151 108.800 -0.074 0.000 2.580 223 G HA2 0.393 4.353 3.960 0.001 0.000 0.278 223 G HA3 0.393 4.353 3.960 0.001 0.000 0.278 223 G C 0.401 175.391 174.900 0.149 0.000 1.212 223 G CA -0.172 45.037 45.100 0.181 0.000 0.939 223 G HN 0.762 nan 8.290 nan 0.000 0.513 224 T N -0.381 114.142 114.554 -0.052 0.000 2.901 224 T HA 0.145 4.495 4.350 0.001 0.000 0.252 224 T C 0.232 174.613 174.700 -0.533 0.000 1.035 224 T CA 0.763 62.629 62.100 -0.389 0.000 1.142 224 T CB -0.128 68.362 68.868 -0.630 0.000 0.869 224 T HN 0.245 nan 8.240 nan 0.000 0.442 225 F N 1.246 121.146 119.950 -0.084 0.000 2.421 225 F HA 0.602 5.129 4.527 0.001 0.000 0.337 225 F C -0.240 175.397 175.800 -0.272 0.000 1.105 225 F CA -1.096 56.807 58.000 -0.162 0.000 1.049 225 F CB 1.306 40.237 39.000 -0.115 0.000 1.139 225 F HN -0.223 nan 8.300 nan 0.000 0.479 226 V N 1.526 121.347 119.914 -0.156 0.000 2.735 226 V HA 0.341 4.461 4.120 0.001 0.000 0.310 226 V C -0.293 175.668 176.094 -0.221 0.000 1.061 226 V CA -1.052 61.029 62.300 -0.364 0.000 0.913 226 V CB 2.021 33.492 31.823 -0.586 0.000 1.005 226 V HN 0.776 nan 8.190 nan 0.000 0.428 227 S N 2.008 117.574 115.700 -0.224 0.000 2.510 227 S HA 0.091 4.562 4.470 0.001 0.000 0.279 227 S C 1.406 175.881 174.600 -0.208 0.000 1.284 227 S CA 0.228 58.324 58.200 -0.174 0.000 1.059 227 S CB 0.910 64.023 63.200 -0.145 0.000 0.901 227 S HN 1.059 nan 8.310 nan 0.000 0.491 228 T N 1.858 116.319 114.554 -0.155 0.000 3.023 228 T HA -0.066 4.284 4.350 0.001 0.000 0.266 228 T C 1.849 176.467 174.700 -0.137 0.000 1.093 228 T CA 0.971 62.983 62.100 -0.147 0.000 1.129 228 T CB -0.518 68.293 68.868 -0.095 0.000 0.899 228 T HN 0.683 nan 8.240 nan 0.000 0.491 229 S N 2.890 118.519 115.700 -0.119 0.000 2.414 229 S HA -0.044 4.426 4.470 0.001 0.000 0.227 229 S C 1.517 176.049 174.600 -0.114 0.000 1.022 229 S CA 0.813 58.959 58.200 -0.090 0.000 0.958 229 S CB -0.441 62.722 63.200 -0.062 0.000 0.797 229 S HN 0.775 nan 8.310 nan 0.000 0.493 230 N N -0.660 117.936 118.700 -0.173 0.000 2.081 230 N HA 0.269 5.010 4.740 0.001 0.000 0.230 230 N C 0.823 176.096 175.510 -0.396 0.000 1.351 230 N CA 0.172 53.106 53.050 -0.193 0.000 0.840 230 N CB -0.216 38.222 38.487 -0.081 0.000 1.189 230 N HN 0.437 nan 8.380 nan 0.000 0.503 231 G N -0.246 108.221 108.800 -0.554 0.000 2.258 231 G HA2 -0.294 3.666 3.960 0.001 0.000 0.274 231 G HA3 -0.294 3.666 3.960 0.001 0.000 0.274 231 G C -0.015 174.659 174.900 -0.376 0.000 1.021 231 G CA 0.955 45.592 45.100 -0.771 0.000 0.798 231 G HN 0.665 nan 8.290 nan 0.000 0.507 232 T N -0.780 113.640 114.554 -0.223 0.000 2.928 232 T HA 0.633 4.984 4.350 0.001 0.000 0.284 232 T C 0.214 174.836 174.700 -0.130 0.000 1.008 232 T CA -0.612 61.454 62.100 -0.056 0.000 1.057 232 T CB 0.332 69.203 68.868 0.005 0.000 1.018 232 T HN 0.178 nan 8.240 nan 0.000 0.493 233 F N 2.215 122.155 119.950 -0.018 0.000 2.412 233 F HA 0.297 4.824 4.527 0.000 0.000 0.348 233 F C 1.688 177.487 175.800 -0.001 0.000 1.102 233 F CA -0.023 57.968 58.000 -0.015 0.000 1.196 233 F CB 1.132 40.122 39.000 -0.016 0.000 1.144 233 F HN 0.630 nan 8.300 nan 0.000 0.541 234 Q N 0.889 120.776 119.800 0.144 0.000 2.282 234 Q HA 0.152 4.493 4.340 0.001 0.000 0.206 234 Q C -0.894 175.181 176.000 0.126 0.000 0.878 234 Q CA 0.003 55.868 55.803 0.103 0.000 0.944 234 Q CB 0.373 29.143 28.738 0.053 0.000 1.100 234 Q HN 0.810 nan 8.270 nan 0.000 0.509 235 D N -2.949 117.557 120.400 0.176 0.000 2.692 235 D HA 0.192 4.833 4.640 0.001 0.000 0.290 235 D C -0.665 175.708 176.300 0.123 0.000 1.281 235 D CA -0.748 53.330 54.000 0.131 0.000 0.804 235 D CB 0.680 41.563 40.800 0.139 0.000 1.331 235 D HN -0.241 nan 8.370 nan 0.000 0.432 236 S N -0.532 115.212 115.700 0.074 0.000 2.711 236 S HA 0.454 4.924 4.470 0.001 0.000 0.247 236 S C -0.673 173.994 174.600 0.112 0.000 1.079 236 S CA -0.545 57.696 58.200 0.068 0.000 1.050 236 S CB 0.036 63.242 63.200 0.010 0.000 0.885 236 S HN 0.431 nan 8.310 nan 0.000 0.498 237 S N 0.996 116.713 115.700 0.030 0.000 2.578 237 S HA 0.946 5.417 4.470 0.001 0.000 0.301 237 S C 0.409 174.779 174.600 -0.383 0.000 1.091 237 S CA -0.643 57.470 58.200 -0.145 0.000 1.032 237 S CB 1.905 65.046 63.200 -0.098 0.000 1.064 237 S HN 0.628 nan 8.310 nan 0.000 0.508 238 G N 0.413 108.647 108.800 -0.944 0.000 2.340 238 G HA2 0.659 4.620 3.960 0.001 0.000 0.299 238 G HA3 0.659 4.620 3.960 0.001 0.000 0.299 238 G C -1.135 173.303 174.900 -0.769 0.000 1.291 238 G CA 0.030 44.656 45.100 -0.790 0.000 0.841 238 G HN 1.427 nan 8.290 nan 0.000 0.500 239 S N -2.794 112.819 115.700 -0.145 0.000 2.655 239 S HA 0.349 4.819 4.470 0.001 0.000 0.263 239 S C -1.619 173.184 174.600 0.338 0.000 1.091 239 S CA -0.427 57.906 58.200 0.221 0.000 0.865 239 S CB 0.375 63.654 63.200 0.132 0.000 1.146 239 S HN 1.047 nan 8.310 nan 0.000 0.482 240 W N 1.809 123.315 121.300 0.344 0.000 3.305 240 W HA 0.619 5.279 4.660 0.001 0.000 0.392 240 W C 0.915 177.650 176.519 0.361 0.000 1.121 240 W CA -0.108 57.499 57.345 0.436 0.000 1.909 240 W CB 0.076 29.767 29.460 0.385 0.000 1.065 240 W HN 0.636 nan 8.180 nan 0.000 0.714 241 S N -0.733 115.165 115.700 0.329 0.000 2.721 241 S HA 0.675 5.146 4.470 0.001 0.000 0.296 241 S C 0.584 175.222 174.600 0.063 0.000 1.093 241 S CA -0.617 57.702 58.200 0.198 0.000 0.959 241 S CB 0.018 63.299 63.200 0.135 0.000 1.301 241 S HN 0.026 nan 8.310 nan 0.000 0.550 242 G N 0.111 108.925 108.800 0.024 0.000 2.321 242 G HA2 0.347 4.307 3.960 0.001 0.000 0.237 242 G HA3 0.347 4.307 3.960 0.001 0.000 0.237 242 G C 0.236 175.067 174.900 -0.116 0.000 1.282 242 G CA 0.128 45.203 45.100 -0.041 0.000 0.886 242 G HN 0.835 nan 8.290 nan 0.000 0.528 243 L N -0.132 120.971 121.223 -0.200 0.000 4.383 243 L HA -0.228 4.112 4.340 0.001 0.000 0.402 243 L C 1.480 178.148 176.870 -0.336 0.000 0.803 243 L CA 1.426 56.085 54.840 -0.302 0.000 2.175 243 L CB -1.505 40.359 42.059 -0.325 0.000 1.434 243 L HN 0.704 nan 8.230 nan 0.000 0.591 244 M N -1.047 118.400 119.600 -0.255 0.000 1.824 244 M HA 0.021 4.501 4.480 0.001 0.000 0.252 244 M C 1.214 177.386 176.300 -0.212 0.000 1.108 244 M CA 1.089 56.228 55.300 -0.268 0.000 1.017 244 M CB 0.233 32.687 32.600 -0.244 0.000 1.847 244 M HN 0.213 nan 8.290 nan 0.000 0.652 245 D N 1.564 121.911 120.400 -0.088 0.000 2.633 245 D HA -0.307 4.333 4.640 0.001 0.000 0.206 245 D C 1.435 177.679 176.300 -0.094 0.000 1.055 245 D CA 2.905 56.911 54.000 0.010 0.000 0.903 245 D CB -1.520 39.208 40.800 -0.120 0.000 1.115 245 D HN 0.514 nan 8.370 nan 0.000 0.479 246 S N -1.034 114.507 115.700 -0.266 0.000 2.528 246 S HA -0.158 4.312 4.470 0.001 0.000 0.244 246 S C 1.824 176.290 174.600 -0.224 0.000 0.982 246 S CA 0.765 58.794 58.200 -0.285 0.000 0.953 246 S CB -1.120 61.872 63.200 -0.347 0.000 0.754 246 S HN 0.475 nan 8.310 nan 0.000 0.529 247 F N 1.509 121.285 119.950 -0.290 0.000 2.128 247 F HA 0.007 4.535 4.527 0.000 0.000 0.295 247 F C 2.017 177.754 175.800 -0.104 0.000 1.100 247 F CA 0.936 58.784 58.000 -0.254 0.000 1.260 247 F CB -0.356 38.392 39.000 -0.421 0.000 1.009 247 F HN 0.139 nan 8.300 nan 0.000 0.476 248 Y N 0.582 120.655 120.300 -0.379 0.000 2.200 248 Y HA -0.197 4.353 4.550 0.001 0.000 0.290 248 Y C 2.671 178.608 175.900 0.061 0.000 1.137 248 Y CA 1.280 59.155 58.100 -0.376 0.000 1.163 248 Y CB -0.675 37.407 38.460 -0.630 0.000 0.988 248 Y HN 0.179 nan 8.280 nan 0.000 0.518 249 E N 0.271 120.693 120.200 0.370 0.000 2.065 249 E HA -0.298 4.053 4.350 0.001 0.000 0.201 249 E C 1.719 178.553 176.600 0.389 0.000 1.016 249 E CA 1.845 58.531 56.400 0.476 0.000 0.818 249 E CB -0.537 29.430 29.700 0.444 0.000 0.749 249 E HN 0.640 nan 8.360 nan 0.000 0.453 250 Y N -0.520 119.831 120.300 0.085 0.000 2.574 250 Y HA -0.161 4.389 4.550 0.001 0.000 0.294 250 Y C 2.149 178.083 175.900 0.057 0.000 1.142 250 Y CA -0.511 57.628 58.100 0.064 0.000 1.314 250 Y CB 0.259 38.771 38.460 0.087 0.000 0.991 250 Y HN 0.201 nan 8.280 nan 0.000 0.555 251 L N -0.515 120.807 121.223 0.165 0.000 2.005 251 L HA -0.228 4.113 4.340 0.001 0.000 0.207 251 L C 2.160 179.109 176.870 0.131 0.000 1.072 251 L CA 1.522 56.469 54.840 0.178 0.000 0.744 251 L CB -0.880 41.260 42.059 0.135 0.000 0.895 251 L HN 0.189 nan 8.230 nan 0.000 0.433 252 I N -0.989 119.495 120.570 -0.144 0.000 2.617 252 I HA -0.181 3.989 4.170 0.001 0.000 0.256 252 I C 2.263 178.319 176.117 -0.101 0.000 1.167 252 I CA 1.256 62.327 61.300 -0.381 0.000 1.469 252 I CB -0.316 36.955 38.000 -1.215 0.000 1.098 252 I HN 0.164 nan 8.210 nan 0.000 0.436 253 K N -0.640 119.744 120.400 -0.027 0.000 2.217 253 K HA -0.078 4.242 4.320 0.001 0.000 0.202 253 K C 1.911 178.492 176.600 -0.031 0.000 1.051 253 K CA 1.027 57.317 56.287 0.005 0.000 0.952 253 K CB -0.110 32.411 32.500 0.035 0.000 0.736 253 K HN 0.243 nan 8.250 nan 0.000 0.453 254 M N -0.415 119.143 119.600 -0.071 0.000 2.200 254 M HA -0.132 4.348 4.480 0.001 0.000 0.265 254 M C 1.975 178.241 176.300 -0.057 0.000 1.066 254 M CA 1.362 56.489 55.300 -0.289 0.000 1.127 254 M CB -0.754 31.484 32.600 -0.602 0.000 1.379 254 M HN 0.119 nan 8.290 nan 0.000 0.420 255 Y N 0.901 121.190 120.300 -0.018 0.000 2.274 255 Y HA -0.169 4.381 4.550 0.000 0.000 0.290 255 Y C 2.151 178.080 175.900 0.048 0.000 1.145 255 Y CA 1.431 59.570 58.100 0.066 0.000 1.203 255 Y CB -0.327 38.147 38.460 0.023 0.000 0.984 255 Y HN 0.130 nan 8.280 nan 0.000 0.533 256 L N -1.233 119.961 121.223 -0.048 0.000 2.072 256 L HA -0.216 4.124 4.340 0.001 0.000 0.205 256 L C 2.227 179.049 176.870 -0.079 0.000 1.079 256 L CA 1.539 56.313 54.840 -0.109 0.000 0.752 256 L CB -0.650 41.408 42.059 -0.002 0.000 0.906 256 L HN 0.308 nan 8.230 nan 0.000 0.436 257 Y N 0.785 121.016 120.300 -0.116 0.000 2.151 257 Y HA -0.244 4.306 4.550 0.000 0.000 0.284 257 Y C 0.602 176.489 175.900 -0.022 0.000 1.166 257 Y CA 1.882 59.929 58.100 -0.087 0.000 1.163 257 Y CB 0.166 38.533 38.460 -0.154 0.000 0.974 257 Y HN 0.261 nan 8.280 nan 0.000 0.511 258 D N -2.185 118.243 120.400 0.048 0.000 2.318 258 D HA 0.184 4.824 4.640 0.001 0.000 0.233 258 D C -2.418 173.901 176.300 0.033 0.000 1.348 258 D CA -1.762 52.247 54.000 0.015 0.000 0.983 258 D CB 1.267 42.159 40.800 0.153 0.000 1.416 258 D HN -0.098 nan 8.370 nan 0.000 0.558 259 P HA -0.158 nan 4.420 nan 0.000 0.216 259 P C 1.507 178.820 177.300 0.022 0.000 1.150 259 P CA 0.730 63.618 63.100 -0.353 0.000 0.843 259 P CB 0.560 31.999 31.700 -0.434 0.000 0.787 260 V N 0.012 119.912 119.914 -0.024 0.000 2.273 260 V HA -0.148 3.972 4.120 0.001 0.000 0.242 260 V C 2.505 178.555 176.094 -0.072 0.000 1.035 260 V CA 2.105 64.398 62.300 -0.013 0.000 1.013 260 V CB -1.778 30.015 31.823 -0.050 0.000 0.652 260 V HN 0.071 nan 8.190 nan 0.000 0.452 261 A N -0.478 122.210 122.820 -0.221 0.000 1.978 261 A HA -0.129 4.191 4.320 0.001 0.000 0.220 261 A C 1.546 178.673 177.584 -0.762 0.000 1.170 261 A CA 1.741 53.448 52.037 -0.550 0.000 0.636 261 A CB -0.584 17.915 19.000 -0.835 0.000 0.810 261 A HN 0.577 nan 8.150 nan 0.000 0.448 262 F N -1.378 118.580 119.950 0.013 0.000 2.908 262 F HA 0.494 5.021 4.527 0.001 0.000 0.328 262 F C 1.718 177.665 175.800 0.246 0.000 1.211 262 F CA -0.039 57.954 58.000 -0.012 0.000 1.291 262 F CB -0.008 38.811 39.000 -0.302 0.000 0.962 262 F HN 0.174 nan 8.300 nan 0.000 0.505 263 A N -0.458 122.564 122.820 0.338 0.000 1.972 263 A HA -0.222 4.098 4.320 0.001 0.000 0.219 263 A C 2.197 179.969 177.584 0.312 0.000 1.169 263 A CA 1.634 53.874 52.037 0.339 0.000 0.635 263 A CB -0.860 18.284 19.000 0.239 0.000 0.810 263 A HN 0.604 nan 8.150 nan 0.000 0.446 264 H N -2.179 117.058 119.070 0.277 0.000 2.428 264 H HA -0.109 4.447 4.556 0.001 0.000 0.296 264 H C 1.752 177.295 175.328 0.358 0.000 1.062 264 H CA 1.668 57.881 56.048 0.274 0.000 1.350 264 H CB -0.022 29.900 29.762 0.266 0.000 1.403 264 H HN 0.715 nan 8.280 nan 0.000 0.533 265 Y N 1.016 121.465 120.300 0.249 0.000 2.181 265 Y HA -0.211 4.340 4.550 0.000 0.000 0.288 265 Y C 2.926 178.884 175.900 0.096 0.000 1.146 265 Y CA 1.015 59.226 58.100 0.185 0.000 1.164 265 Y CB 0.081 38.699 38.460 0.263 0.000 0.982 265 Y HN 0.109 nan 8.280 nan 0.000 0.515 266 K N 0.665 121.201 120.400 0.226 0.000 2.063 266 K HA -0.244 4.077 4.320 0.001 0.000 0.208 266 K C 1.228 177.837 176.600 0.014 0.000 1.048 266 K CA 2.204 58.463 56.287 -0.047 0.000 0.928 266 K CB -0.248 31.905 32.500 -0.579 0.000 0.713 266 K HN 0.234 nan 8.250 nan 0.000 0.442 267 D N 0.373 120.768 120.400 -0.008 0.000 2.144 267 D HA -0.129 4.511 4.640 0.001 0.000 0.199 267 D C 2.060 178.339 176.300 -0.035 0.000 0.984 267 D CA 0.840 54.822 54.000 -0.031 0.000 0.834 267 D CB -0.041 40.722 40.800 -0.063 0.000 0.955 267 D HN 0.168 nan 8.370 nan 0.000 0.465 268 R N -0.568 119.899 120.500 -0.055 0.000 2.148 268 R HA -0.092 4.249 4.340 0.001 0.000 0.227 268 R C 2.089 178.414 176.300 0.043 0.000 1.103 268 R CA 0.344 56.430 56.100 -0.024 0.000 0.983 268 R CB -0.881 29.404 30.300 -0.026 0.000 0.874 268 R HN 0.373 nan 8.270 nan 0.000 0.451 269 W N 0.967 122.208 121.300 -0.099 0.000 2.409 269 W HA -0.130 4.530 4.660 0.000 0.000 0.299 269 W C 1.875 178.282 176.519 -0.188 0.000 1.203 269 W CA 0.920 58.184 57.345 -0.135 0.000 1.298 269 W CB -0.175 29.195 29.460 -0.150 0.000 1.127 269 W HN -0.235 nan 8.180 nan 0.000 0.528 270 V N 1.264 121.194 119.914 0.026 0.000 2.392 270 V HA -0.342 3.778 4.120 0.001 0.000 0.249 270 V C 2.313 178.289 176.094 -0.197 0.000 1.059 270 V CA 1.975 64.206 62.300 -0.116 0.000 1.051 270 V CB -1.027 30.826 31.823 0.050 0.000 0.658 270 V HN 0.235 nan 8.190 nan 0.000 0.455 271 L N 0.094 121.240 121.223 -0.128 0.000 1.994 271 L HA -0.099 4.241 4.340 0.001 0.000 0.208 271 L C 2.695 179.457 176.870 -0.180 0.000 1.071 271 L CA 1.922 56.700 54.840 -0.103 0.000 0.745 271 L CB -1.255 40.776 42.059 -0.047 0.000 0.892 271 L HN 0.463 nan 8.230 nan 0.000 0.431 272 G N -0.546 108.097 108.800 -0.263 0.000 2.446 272 G HA2 -0.276 3.684 3.960 0.001 0.000 0.217 272 G HA3 -0.276 3.684 3.960 0.001 0.000 0.217 272 G C 1.742 176.395 174.900 -0.411 0.000 1.168 272 G CA 0.919 45.795 45.100 -0.373 0.000 0.771 272 G HN 0.485 nan 8.290 nan 0.000 0.551 273 A N 1.138 123.522 122.820 -0.727 0.000 1.858 273 A HA -0.052 4.268 4.320 0.001 0.000 0.216 273 A C 2.104 179.525 177.584 -0.271 0.000 1.190 273 A CA 2.107 53.695 52.037 -0.748 0.000 0.617 273 A CB -0.479 17.502 19.000 -1.698 0.000 0.827 273 A HN 0.281 nan 8.150 nan 0.000 0.443 274 D N -0.188 120.087 120.400 -0.209 0.000 2.178 274 D HA -0.057 4.583 4.640 0.001 0.000 0.201 274 D C 2.183 178.373 176.300 -0.183 0.000 0.980 274 D CA 1.411 55.340 54.000 -0.119 0.000 0.842 274 D CB -0.285 40.483 40.800 -0.054 0.000 0.948 274 D HN 0.369 nan 8.370 nan 0.000 0.472 275 S N -0.210 115.391 115.700 -0.163 0.000 2.387 275 S HA -0.119 4.351 4.470 0.001 0.000 0.226 275 S C 2.201 176.671 174.600 -0.216 0.000 1.026 275 S CA 1.558 59.667 58.200 -0.152 0.000 0.972 275 S CB -0.240 62.902 63.200 -0.097 0.000 0.814 275 S HN 0.537 nan 8.310 nan 0.000 0.477 276 T N 0.822 115.282 114.554 -0.156 0.000 2.857 276 T HA 0.092 4.442 4.350 0.001 0.000 0.266 276 T C 1.728 176.253 174.700 -0.293 0.000 1.048 276 T CA 0.725 62.760 62.100 -0.109 0.000 1.139 276 T CB -0.564 68.360 68.868 0.093 0.000 0.874 276 T HN 0.325 nan 8.240 nan 0.000 0.455 277 I N 1.462 121.738 120.570 -0.489 0.000 2.286 277 I HA 0.019 4.189 4.170 0.001 0.000 0.248 277 I C 2.942 178.769 176.117 -0.483 0.000 1.115 277 I CA 1.413 62.247 61.300 -0.777 0.000 1.392 277 I CB -0.582 36.885 38.000 -0.890 0.000 1.065 277 I HN 0.486 nan 8.210 nan 0.000 0.418 278 G N -0.945 107.566 108.800 -0.483 0.000 2.494 278 G HA2 -0.133 3.828 3.960 0.001 0.000 0.216 278 G HA3 -0.133 3.828 3.960 0.001 0.000 0.216 278 G C 1.137 175.508 174.900 -0.881 0.000 1.140 278 G CA 0.436 45.151 45.100 -0.642 0.000 0.801 278 G HN 0.449 nan 8.290 nan 0.000 0.536 279 H N -1.307 117.455 119.070 -0.514 0.000 3.205 279 H HA 0.363 4.919 4.556 0.001 0.000 0.252 279 H C 2.126 177.246 175.328 -0.346 0.000 1.015 279 H CA -0.224 55.452 56.048 -0.621 0.000 1.192 279 H CB 0.484 29.310 29.762 -1.560 0.000 1.474 279 H HN 0.155 nan 8.280 nan 0.000 0.484 280 L N 0.249 121.393 121.223 -0.133 0.000 2.416 280 L HA 0.233 4.573 4.340 0.001 0.000 0.216 280 L C 1.194 178.117 176.870 0.088 0.000 1.098 280 L CA 0.079 54.957 54.840 0.064 0.000 0.840 280 L CB -0.032 42.124 42.059 0.161 0.000 0.981 280 L HN 0.193 nan 8.230 nan 0.000 0.462 281 G N 0.452 109.254 108.800 0.004 0.000 2.313 281 G HA2 0.192 4.153 3.960 0.001 0.000 0.250 281 G HA3 0.192 4.153 3.960 0.001 0.000 0.250 281 G C -0.329 174.520 174.900 -0.085 0.000 1.281 281 G CA 0.263 45.361 45.100 -0.003 0.000 0.917 281 G HN 0.096 nan 8.290 nan 0.000 0.501 282 S N 1.760 117.405 115.700 -0.092 0.000 2.541 282 S HA 0.526 4.996 4.470 0.001 0.000 0.280 282 S C -0.941 173.524 174.600 -0.224 0.000 1.112 282 S CA -0.938 57.255 58.200 -0.011 0.000 0.925 282 S CB 0.951 64.437 63.200 0.477 0.000 1.067 282 S HN 0.627 nan 8.310 nan 0.000 0.479 283 H N 2.756 121.862 119.070 0.059 0.000 2.459 283 H HA 0.412 4.968 4.556 0.001 0.000 0.332 283 H C -2.640 172.714 175.328 0.044 0.000 1.094 283 H CA -1.807 54.191 56.048 -0.083 0.000 1.224 283 H CB 1.243 30.966 29.762 -0.064 0.000 1.449 283 H HN 0.373 nan 8.280 nan 0.000 0.484 284 P HA -0.070 nan 4.420 nan 0.000 0.268 284 P C 0.967 178.432 177.300 0.275 0.000 1.205 284 P CA 0.155 63.433 63.100 0.296 0.000 0.771 284 P CB 0.766 32.582 31.700 0.194 0.000 0.858 285 S N 0.740 116.682 115.700 0.403 0.000 2.442 285 S HA -0.149 4.322 4.470 0.001 0.000 0.236 285 S C 1.362 176.017 174.600 0.091 0.000 1.007 285 S CA 1.837 60.191 58.200 0.258 0.000 0.965 285 S CB -1.367 62.035 63.200 0.337 0.000 0.773 285 S HN 0.585 nan 8.310 nan 0.000 0.504 286 T N -1.876 112.652 114.554 -0.044 0.000 3.040 286 T HA 0.374 4.724 4.350 0.001 0.000 0.250 286 T C 0.615 175.208 174.700 -0.178 0.000 1.058 286 T CA -0.494 61.487 62.100 -0.198 0.000 0.988 286 T CB 0.106 68.673 68.868 -0.502 0.000 0.993 286 T HN 0.129 nan 8.240 nan 0.000 0.519 287 R N 1.183 121.605 120.500 -0.130 0.000 2.818 287 R HA 0.326 4.666 4.340 0.001 0.000 0.258 287 R C -0.016 176.197 176.300 -0.146 0.000 1.797 287 R CA -0.217 55.797 56.100 -0.144 0.000 1.532 287 R CB 0.609 30.816 30.300 -0.155 0.000 1.413 287 R HN 0.295 nan 8.270 nan 0.000 0.622 288 K N 0.459 120.771 120.400 -0.146 0.000 2.515 288 K HA -0.105 4.215 4.320 0.001 0.000 0.196 288 K C 0.965 177.359 176.600 -0.343 0.000 1.038 288 K CA 1.218 57.369 56.287 -0.227 0.000 0.967 288 K CB 0.321 32.693 32.500 -0.213 0.000 0.780 288 K HN 0.410 nan 8.250 nan 0.000 0.483 289 D N 0.191 120.444 120.400 -0.245 0.000 2.347 289 D HA -0.076 4.564 4.640 0.001 0.000 0.213 289 D C 0.242 176.396 176.300 -0.243 0.000 0.985 289 D CA 0.245 54.108 54.000 -0.229 0.000 0.879 289 D CB 0.129 40.828 40.800 -0.169 0.000 0.919 289 D HN -0.018 nan 8.370 nan 0.000 0.526 290 L N 0.820 121.868 121.223 -0.291 0.000 2.325 290 L HA 0.375 4.715 4.340 0.001 0.000 0.279 290 L C 0.037 176.618 176.870 -0.482 0.000 1.054 290 L CA -0.116 54.436 54.840 -0.479 0.000 0.804 290 L CB 2.011 43.670 42.059 -0.666 0.000 1.200 290 L HN -0.220 nan 8.230 nan 0.000 0.436 291 T N 3.397 117.550 114.554 -0.669 0.000 2.906 291 T HA 0.611 4.961 4.350 0.001 0.000 0.302 291 T C -0.749 173.521 174.700 -0.716 0.000 1.002 291 T CA -0.247 61.510 62.100 -0.570 0.000 0.988 291 T CB 0.387 69.034 68.868 -0.369 0.000 0.972 291 T HN 0.027 nan 8.240 nan 0.000 0.447 292 F N 1.488 121.163 119.950 -0.458 0.000 2.557 292 F HA 0.643 5.171 4.527 0.001 0.000 0.336 292 F C 0.024 175.785 175.800 -0.065 0.000 1.058 292 F CA -1.884 55.857 58.000 -0.432 0.000 0.988 292 F CB 1.005 39.384 39.000 -1.034 0.000 1.275 292 F HN 0.244 nan 8.300 nan 0.000 0.488 293 L N 1.591 123.070 121.223 0.427 0.000 2.280 293 L HA 0.402 4.742 4.340 0.001 0.000 0.287 293 L C -0.192 176.990 176.870 0.520 0.000 1.023 293 L CA -0.412 54.655 54.840 0.380 0.000 0.819 293 L CB 1.205 43.422 42.059 0.263 0.000 1.212 293 L HN 0.544 nan 8.230 nan 0.000 0.420 294 S N 1.128 117.119 115.700 0.486 0.000 2.603 294 S HA 0.336 4.807 4.470 0.001 0.000 0.268 294 S C 0.326 175.126 174.600 0.334 0.000 1.317 294 S CA -0.746 57.680 58.200 0.377 0.000 1.012 294 S CB 1.503 64.884 63.200 0.302 0.000 0.926 294 S HN 0.743 nan 8.310 nan 0.000 0.539 295 S N 0.757 116.582 115.700 0.208 0.000 2.707 295 S HA 0.705 5.175 4.470 0.001 0.000 0.276 295 S C -0.863 173.895 174.600 0.262 0.000 1.179 295 S CA -0.724 57.585 58.200 0.181 0.000 0.992 295 S CB 0.307 63.522 63.200 0.025 0.000 1.030 295 S HN 0.760 nan 8.310 nan 0.000 0.554 296 Y N -1.669 118.742 120.300 0.184 0.000 2.534 296 Y HA 0.731 5.282 4.550 0.001 0.000 0.345 296 Y C -1.610 174.353 175.900 0.103 0.000 1.031 296 Y CA -1.317 56.900 58.100 0.194 0.000 1.022 296 Y CB 0.913 39.579 38.460 0.343 0.000 1.292 296 Y HN 0.657 nan 8.280 nan 0.000 0.459 297 N N 2.434 121.253 118.700 0.199 0.000 2.664 297 N HA 0.537 5.277 4.740 0.001 0.000 0.257 297 N C 0.163 175.711 175.510 0.064 0.000 1.108 297 N CA 0.105 53.206 53.050 0.085 0.000 0.822 297 N CB 1.695 40.204 38.487 0.036 0.000 1.199 297 N HN 1.285 nan 8.380 nan 0.000 0.529 298 G N 1.160 109.993 108.800 0.056 0.000 2.539 298 G HA2 -0.318 3.642 3.960 0.001 0.000 0.256 298 G HA3 -0.318 3.642 3.960 0.001 0.000 0.256 298 G C -0.178 174.506 174.900 -0.360 0.000 1.233 298 G CA -0.424 44.599 45.100 -0.130 0.000 0.936 298 G HN 0.515 nan 8.290 nan 0.000 0.571 299 Q N 1.107 120.612 119.800 -0.492 0.000 2.412 299 Q HA 0.401 4.742 4.340 0.001 0.000 0.298 299 Q C 0.402 176.304 176.000 -0.164 0.000 0.938 299 Q CA 0.690 56.023 55.803 -0.785 0.000 0.968 299 Q CB 0.123 28.447 28.738 -0.690 0.000 1.187 299 Q HN 0.895 nan 8.270 nan 0.000 0.421 300 S N -0.726 114.983 115.700 0.015 0.000 2.571 300 S HA 0.549 5.019 4.470 0.001 0.000 0.284 300 S C -0.133 174.618 174.600 0.251 0.000 1.128 300 S CA -0.749 57.544 58.200 0.157 0.000 0.970 300 S CB 2.008 65.254 63.200 0.077 0.000 1.039 300 S HN 0.195 nan 8.310 nan 0.000 0.485 301 T N -0.565 114.155 114.554 0.276 0.000 2.945 301 T HA 0.749 5.100 4.350 0.001 0.000 0.286 301 T C -0.207 174.571 174.700 0.130 0.000 1.025 301 T CA -0.756 61.503 62.100 0.265 0.000 1.039 301 T CB 1.567 70.612 68.868 0.295 0.000 1.068 301 T HN 0.810 nan 8.240 nan 0.000 0.497 302 S N 2.428 118.174 115.700 0.077 0.000 2.552 302 S HA 0.480 4.951 4.470 0.001 0.000 0.314 302 S C -2.573 171.896 174.600 -0.218 0.000 1.099 302 S CA -1.817 56.350 58.200 -0.056 0.000 1.070 302 S CB 1.155 64.324 63.200 -0.051 0.000 0.998 302 S HN 0.645 nan 8.310 nan 0.000 0.474 303 P HA 0.111 nan 4.420 nan 0.000 0.237 303 P C -1.046 175.243 177.300 -1.686 0.000 1.701 303 P CA -0.018 62.341 63.100 -1.235 0.000 0.955 303 P CB -1.005 29.906 31.700 -1.315 0.000 1.937 304 N N -0.696 117.444 118.700 -0.933 0.000 2.225 304 N HA 0.455 5.196 4.740 0.001 0.000 0.298 304 N C -1.286 174.034 175.510 -0.316 0.000 1.076 304 N CA -0.629 52.037 53.050 -0.641 0.000 0.792 304 N CB 2.295 40.565 38.487 -0.361 0.000 1.498 304 N HN -0.054 nan 8.380 nan 0.000 0.474 305 S N -0.030 115.417 115.700 -0.422 0.000 3.070 305 S HA 0.933 5.403 4.470 0.001 0.000 0.320 305 S C -1.046 173.151 174.600 -0.672 0.000 1.215 305 S CA 0.055 58.026 58.200 -0.382 0.000 0.956 305 S CB 0.999 64.087 63.200 -0.188 0.000 1.337 305 S HN 1.176 nan 8.310 nan 0.000 0.639 306 G N -0.503 108.043 108.800 -0.424 0.000 2.322 306 G HA2 0.286 4.246 3.960 0.001 0.000 0.295 306 G HA3 0.286 4.246 3.960 0.001 0.000 0.295 306 G C -0.226 174.841 174.900 0.280 0.000 1.369 306 G CA -0.235 44.793 45.100 -0.120 0.000 0.821 306 G HN 0.673 nan 8.290 nan 0.000 0.536 307 H N -0.361 118.861 119.070 0.253 0.000 2.390 307 H HA -0.057 4.499 4.556 0.001 0.000 0.298 307 H C 2.562 178.026 175.328 0.226 0.000 1.106 307 H CA 2.120 58.346 56.048 0.298 0.000 1.297 307 H CB 0.071 29.994 29.762 0.270 0.000 1.375 307 H HN 0.295 nan 8.280 nan 0.000 0.509 308 L N -0.195 121.219 121.223 0.318 0.000 2.083 308 L HA -0.165 4.175 4.340 0.001 0.000 0.209 308 L C 2.889 179.938 176.870 0.299 0.000 1.083 308 L CA 1.055 56.040 54.840 0.242 0.000 0.752 308 L CB -0.472 41.678 42.059 0.152 0.000 0.899 308 L HN 0.236 nan 8.230 nan 0.000 0.433 309 A N -0.251 122.730 122.820 0.268 0.000 2.119 309 A HA -0.123 4.198 4.320 0.001 0.000 0.217 309 A C 2.401 179.903 177.584 -0.137 0.000 1.153 309 A CA 1.178 53.380 52.037 0.275 0.000 0.692 309 A CB -0.480 18.679 19.000 0.265 0.000 0.799 309 A HN 0.508 nan 8.150 nan 0.000 0.458 310 S N 0.065 115.575 115.700 -0.317 0.000 2.493 310 S HA -0.178 4.292 4.470 0.001 0.000 0.243 310 S C 1.522 175.934 174.600 -0.313 0.000 0.991 310 S CA 1.197 58.967 58.200 -0.717 0.000 0.957 310 S CB -0.949 62.091 63.200 -0.268 0.000 0.756 310 S HN 0.923 nan 8.310 nan 0.000 0.521 311 F N 2.108 121.957 119.950 -0.168 0.000 2.502 311 F HA 0.398 4.925 4.527 0.001 0.000 0.298 311 F C 1.962 177.735 175.800 -0.046 0.000 1.111 311 F CA -0.180 57.778 58.000 -0.069 0.000 1.445 311 F CB -1.104 37.918 39.000 0.036 0.000 1.081 311 F HN 0.145 nan 8.300 nan 0.000 0.558 312 G N 1.163 109.381 108.800 -0.971 0.000 2.469 312 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 312 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 312 G C 1.928 176.581 174.900 -0.411 0.000 1.150 312 G CA 0.862 45.459 45.100 -0.838 0.000 0.763 312 G HN 0.632 nan 8.290 nan 0.000 0.561 313 G N 0.845 109.417 108.800 -0.380 0.000 2.476 313 G HA2 -0.029 3.932 3.960 0.001 0.000 0.218 313 G HA3 -0.029 3.932 3.960 0.001 0.000 0.218 313 G C 1.791 176.562 174.900 -0.216 0.000 1.164 313 G CA 1.467 46.411 45.100 -0.261 0.000 0.768 313 G HN 0.646 nan 8.290 nan 0.000 0.560 314 G N 0.546 109.154 108.800 -0.320 0.000 2.408 314 G HA2 -0.230 3.731 3.960 0.001 0.000 0.217 314 G HA3 -0.230 3.731 3.960 0.001 0.000 0.217 314 G C 1.695 176.167 174.900 -0.713 0.000 1.150 314 G CA 1.133 45.876 45.100 -0.595 0.000 0.776 314 G HN 0.514 nan 8.290 nan 0.000 0.542 315 N N -0.205 118.249 118.700 -0.409 0.000 2.188 315 N HA -0.040 4.701 4.740 0.001 0.000 0.184 315 N C 1.790 177.282 175.510 -0.029 0.000 1.018 315 N CA 0.880 53.821 53.050 -0.183 0.000 0.858 315 N CB -0.286 38.208 38.487 0.013 0.000 0.989 315 N HN 0.287 nan 8.380 nan 0.000 0.426 316 F N 0.398 120.343 119.950 -0.008 0.000 2.186 316 F HA 0.078 4.606 4.527 0.001 0.000 0.299 316 F C 1.979 177.857 175.800 0.130 0.000 1.090 316 F CA 0.711 58.825 58.000 0.191 0.000 1.307 316 F CB -0.140 38.944 39.000 0.140 0.000 1.019 316 F HN 0.074 nan 8.300 nan 0.000 0.489 317 I N -0.817 119.844 120.570 0.152 0.000 2.252 317 I HA -0.271 3.899 4.170 0.001 0.000 0.245 317 I C 2.328 178.486 176.117 0.068 0.000 1.102 317 I CA 0.733 62.087 61.300 0.089 0.000 1.385 317 I CB -0.366 37.639 38.000 0.007 0.000 1.064 317 I HN 0.119 nan 8.210 nan 0.000 0.414 318 L N 1.148 122.352 121.223 -0.031 0.000 2.017 318 L HA -0.080 4.260 4.340 0.001 0.000 0.208 318 L C 2.343 179.163 176.870 -0.084 0.000 1.073 318 L CA 2.246 57.087 54.840 0.001 0.000 0.745 318 L CB -1.280 40.749 42.059 -0.050 0.000 0.894 318 L HN 0.181 nan 8.230 nan 0.000 0.432 319 G N -1.154 107.489 108.800 -0.262 0.000 2.422 319 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 319 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 319 G C 1.525 176.427 174.900 0.004 0.000 1.146 319 G CA 0.579 45.403 45.100 -0.460 0.000 0.769 319 G HN 0.607 nan 8.290 nan 0.000 0.547 320 G N 0.961 109.883 108.800 0.203 0.000 2.422 320 G HA2 -0.166 3.794 3.960 0.001 0.000 0.218 320 G HA3 -0.166 3.794 3.960 0.001 0.000 0.218 320 G C 1.751 176.751 174.900 0.166 0.000 1.146 320 G CA 0.817 46.097 45.100 0.301 0.000 0.769 320 G HN 0.454 nan 8.290 nan 0.000 0.547 321 I N 0.280 120.915 120.570 0.108 0.000 2.233 321 I HA -0.077 4.093 4.170 0.001 0.000 0.243 321 I C 2.651 178.819 176.117 0.085 0.000 1.093 321 I CA 0.681 62.030 61.300 0.082 0.000 1.380 321 I CB -0.216 37.828 38.000 0.074 0.000 1.067 321 I HN 0.115 nan 8.210 nan 0.000 0.413 322 L N 0.147 121.418 121.223 0.080 0.000 2.141 322 L HA -0.154 4.186 4.340 0.001 0.000 0.209 322 L C 2.076 179.056 176.870 0.183 0.000 1.094 322 L CA 1.165 56.079 54.840 0.123 0.000 0.763 322 L CB -0.350 41.788 42.059 0.132 0.000 0.908 322 L HN 0.287 nan 8.230 nan 0.000 0.437 323 L N -1.050 120.263 121.223 0.150 0.000 2.640 323 L HA 0.108 4.448 4.340 0.001 0.000 0.230 323 L C 0.585 177.546 176.870 0.152 0.000 1.123 323 L CA -0.044 54.896 54.840 0.166 0.000 0.900 323 L CB -0.291 41.887 42.059 0.199 0.000 1.146 323 L HN 0.391 nan 8.230 nan 0.000 0.484 324 N N 2.039 120.817 118.700 0.130 0.000 2.727 324 N HA -0.166 4.574 4.740 0.001 0.000 0.251 324 N C -0.731 174.830 175.510 0.085 0.000 1.040 324 N CA 0.133 53.239 53.050 0.093 0.000 0.712 324 N CB -0.108 38.422 38.487 0.072 0.000 0.912 324 N HN 0.338 nan 8.380 nan 0.000 0.545 325 E N 1.128 121.396 120.200 0.113 0.000 2.279 325 E HA 0.093 4.443 4.350 0.001 0.000 0.252 325 E C 0.369 176.974 176.600 0.008 0.000 0.894 325 E CA -0.591 55.830 56.400 0.036 0.000 0.785 325 E CB 1.573 31.282 29.700 0.014 0.000 1.237 325 E HN 0.299 nan 8.360 nan 0.000 0.418 326 Q N 1.737 121.524 119.800 -0.021 0.000 2.234 326 Q HA -0.167 4.173 4.340 0.001 0.000 0.206 326 Q C 1.734 177.711 176.000 -0.038 0.000 0.980 326 Q CA 1.178 56.975 55.803 -0.011 0.000 0.869 326 Q CB 0.102 28.830 28.738 -0.017 0.000 0.912 326 Q HN 0.468 nan 8.270 nan 0.000 0.436 327 K N -0.241 120.066 120.400 -0.154 0.000 2.009 327 K HA -0.201 4.120 4.320 0.001 0.000 0.210 327 K C 1.788 178.331 176.600 -0.095 0.000 1.049 327 K CA 1.562 57.718 56.287 -0.219 0.000 0.929 327 K CB -0.145 32.086 32.500 -0.449 0.000 0.714 327 K HN 0.135 nan 8.250 nan 0.000 0.440 328 Y N 0.958 121.356 120.300 0.164 0.000 2.293 328 Y HA -0.091 4.459 4.550 0.001 0.000 0.291 328 Y C 2.102 178.159 175.900 0.262 0.000 1.137 328 Y CA 0.712 58.998 58.100 0.310 0.000 1.202 328 Y CB -0.354 38.342 38.460 0.393 0.000 0.990 328 Y HN 0.057 nan 8.280 nan 0.000 0.537 329 I N -0.157 120.575 120.570 0.269 0.000 2.202 329 I HA -0.277 3.894 4.170 0.001 0.000 0.242 329 I C 1.887 178.059 176.117 0.090 0.000 1.091 329 I CA 1.497 62.886 61.300 0.149 0.000 1.368 329 I CB -0.367 37.683 38.000 0.083 0.000 1.058 329 I HN 0.144 nan 8.210 nan 0.000 0.410 330 D N 0.721 121.168 120.400 0.080 0.000 2.123 330 D HA -0.225 4.415 4.640 0.001 0.000 0.196 330 D C 1.994 178.319 176.300 0.041 0.000 0.992 330 D CA 1.449 55.477 54.000 0.048 0.000 0.833 330 D CB -0.398 40.424 40.800 0.036 0.000 0.954 330 D HN 0.279 nan 8.370 nan 0.000 0.455 331 F N 1.517 121.416 119.950 -0.085 0.000 2.146 331 F HA -0.057 4.470 4.527 0.001 0.000 0.298 331 F C 2.327 177.977 175.800 -0.250 0.000 1.096 331 F CA 1.734 59.612 58.000 -0.204 0.000 1.275 331 F CB -0.203 38.619 39.000 -0.297 0.000 1.008 331 F HN -0.045 nan 8.300 nan 0.000 0.480 332 G N 0.810 109.577 108.800 -0.055 0.000 2.422 332 G HA2 -0.228 3.732 3.960 0.001 0.000 0.218 332 G HA3 -0.228 3.732 3.960 0.001 0.000 0.218 332 G C 1.624 176.395 174.900 -0.216 0.000 1.146 332 G CA 0.957 45.976 45.100 -0.136 0.000 0.769 332 G HN 0.324 nan 8.290 nan 0.000 0.547 333 I N 0.894 121.369 120.570 -0.160 0.000 2.226 333 I HA -0.108 4.063 4.170 0.001 0.000 0.245 333 I C 2.614 178.684 176.117 -0.079 0.000 1.100 333 I CA 1.268 62.484 61.300 -0.139 0.000 1.374 333 I CB -0.831 37.161 38.000 -0.012 0.000 1.057 333 I HN 0.213 nan 8.210 nan 0.000 0.413 334 K N 0.432 120.729 120.400 -0.171 0.000 2.057 334 K HA -0.131 4.189 4.320 0.001 0.000 0.207 334 K C 2.173 178.619 176.600 -0.257 0.000 1.049 334 K CA 1.152 57.307 56.287 -0.219 0.000 0.931 334 K CB -0.126 32.168 32.500 -0.344 0.000 0.714 334 K HN 0.273 nan 8.250 nan 0.000 0.440 335 L N 0.116 121.116 121.223 -0.371 0.000 2.072 335 L HA -0.125 4.215 4.340 0.001 0.000 0.205 335 L C 2.589 179.476 176.870 0.028 0.000 1.079 335 L CA 0.990 55.706 54.840 -0.207 0.000 0.752 335 L CB -0.596 41.233 42.059 -0.383 0.000 0.906 335 L HN 0.183 nan 8.230 nan 0.000 0.436 336 A N -0.425 122.355 122.820 -0.067 0.000 1.883 336 A HA -0.266 4.054 4.320 0.001 0.000 0.217 336 A C 2.571 180.268 177.584 0.188 0.000 1.186 336 A CA 2.255 54.294 52.037 0.002 0.000 0.624 336 A CB -0.794 18.096 19.000 -0.182 0.000 0.822 336 A HN 0.397 nan 8.150 nan 0.000 0.444 337 S N -0.560 115.270 115.700 0.216 0.000 2.368 337 S HA -0.125 4.345 4.470 0.001 0.000 0.225 337 S C 2.209 176.910 174.600 0.168 0.000 1.030 337 S CA 1.962 60.326 58.200 0.273 0.000 0.999 337 S CB -0.449 62.881 63.200 0.217 0.000 0.844 337 S HN 0.554 nan 8.310 nan 0.000 0.459 338 S N 0.057 115.773 115.700 0.027 0.000 2.368 338 S HA -0.001 4.469 4.470 0.001 0.000 0.224 338 S C 1.589 176.197 174.600 0.014 0.000 1.029 338 S CA 1.274 59.388 58.200 -0.144 0.000 0.988 338 S CB -0.619 62.303 63.200 -0.462 0.000 0.838 338 S HN 0.682 nan 8.310 nan 0.000 0.462 339 Y N 0.432 120.803 120.300 0.118 0.000 2.293 339 Y HA -0.025 4.526 4.550 0.001 0.000 0.291 339 Y C 2.022 177.958 175.900 0.061 0.000 1.137 339 Y CA 0.689 58.862 58.100 0.121 0.000 1.202 339 Y CB -0.477 38.032 38.460 0.080 0.000 0.990 339 Y HN 0.312 nan 8.280 nan 0.000 0.537 340 F N 0.191 120.201 119.950 0.099 0.000 2.293 340 F HA -0.024 4.503 4.527 0.001 0.000 0.300 340 F C 2.214 178.062 175.800 0.080 0.000 1.086 340 F CA 1.266 59.285 58.000 0.031 0.000 1.375 340 F CB -0.624 38.394 39.000 0.030 0.000 1.045 340 F HN -0.041 nan 8.300 nan 0.000 0.516 341 G N -0.761 108.013 108.800 -0.044 0.000 2.470 341 G HA2 -0.275 3.685 3.960 0.001 0.000 0.220 341 G HA3 -0.275 3.685 3.960 0.001 0.000 0.220 341 G C 1.588 176.407 174.900 -0.135 0.000 1.121 341 G CA 1.275 46.310 45.100 -0.108 0.000 0.766 341 G HN 0.479 nan 8.290 nan 0.000 0.553 342 T N -3.459 110.929 114.554 -0.277 0.000 3.088 342 T HA 0.091 4.442 4.350 0.001 0.000 0.259 342 T C 1.891 176.526 174.700 -0.109 0.000 1.122 342 T CA 0.433 62.252 62.100 -0.468 0.000 1.095 342 T CB -0.213 67.991 68.868 -1.106 0.000 0.930 342 T HN 0.247 nan 8.240 nan 0.000 0.508 343 Y N 1.459 121.564 120.300 -0.326 0.000 2.205 343 Y HA 0.184 4.734 4.550 0.001 0.000 0.292 343 Y C 3.126 178.839 175.900 -0.312 0.000 1.119 343 Y CA 1.178 59.091 58.100 -0.313 0.000 1.117 343 Y CB -0.712 37.484 38.460 -0.440 0.000 1.037 343 Y HN 0.174 nan 8.280 nan 0.000 0.510 344 T N -0.153 114.170 114.554 -0.384 0.000 2.977 344 T HA -0.162 4.189 4.350 0.001 0.000 0.271 344 T C 1.270 175.943 174.700 -0.044 0.000 1.105 344 T CA 1.400 63.353 62.100 -0.244 0.000 1.116 344 T CB -0.158 68.503 68.868 -0.345 0.000 0.878 344 T HN 0.428 nan 8.240 nan 0.000 0.509 345 Q N 0.796 120.617 119.800 0.036 0.000 2.282 345 Q HA 0.136 4.476 4.340 0.001 0.000 0.206 345 Q C 0.879 177.040 176.000 0.268 0.000 0.878 345 Q CA 0.054 55.937 55.803 0.133 0.000 0.944 345 Q CB 0.703 29.518 28.738 0.128 0.000 1.100 345 Q HN 0.568 nan 8.270 nan 0.000 0.509 346 T N -3.528 111.141 114.554 0.192 0.000 2.881 346 T HA 0.535 4.885 4.350 0.001 0.000 0.278 346 T C 1.239 175.977 174.700 0.063 0.000 0.982 346 T CA -0.143 62.038 62.100 0.134 0.000 0.989 346 T CB 1.623 70.518 68.868 0.044 0.000 1.058 346 T HN 0.033 nan 8.240 nan 0.000 0.529 347 A N 1.162 123.996 122.820 0.023 0.000 1.933 347 A HA -0.028 4.292 4.320 0.001 0.000 0.218 347 A C 2.523 180.111 177.584 0.007 0.000 1.175 347 A CA 1.993 54.040 52.037 0.017 0.000 0.628 347 A CB -1.354 17.645 19.000 -0.003 0.000 0.814 347 A HN 1.159 nan 8.150 nan 0.000 0.444 348 S N -2.121 113.571 115.700 -0.014 0.000 2.527 348 S HA 0.354 4.824 4.470 0.001 0.000 0.222 348 S C 1.474 176.056 174.600 -0.029 0.000 0.985 348 S CA 1.105 59.291 58.200 -0.022 0.000 0.921 348 S CB -0.286 62.890 63.200 -0.040 0.000 0.772 348 S HN 1.952 nan 8.310 nan 0.000 0.529 349 G N 0.879 109.660 108.800 -0.031 0.000 2.148 349 G HA2 -0.222 3.739 3.960 0.001 0.000 0.254 349 G HA3 -0.222 3.739 3.960 0.001 0.000 0.254 349 G C -0.080 174.770 174.900 -0.083 0.000 0.981 349 G CA 0.383 45.472 45.100 -0.018 0.000 0.670 349 G HN 0.600 nan 8.290 nan 0.000 0.528 350 I N 0.578 120.992 120.570 -0.260 0.000 2.530 350 I HA 0.602 4.772 4.170 0.001 0.000 0.297 350 I C 1.058 176.690 176.117 -0.809 0.000 1.011 350 I CA -0.787 60.086 61.300 -0.712 0.000 1.107 350 I CB 1.995 39.620 38.000 -0.624 0.000 1.285 350 I HN 0.111 nan 8.210 nan 0.000 0.436 351 G N 5.012 112.897 108.800 -1.525 0.000 2.467 351 G HA2 0.463 4.423 3.960 0.001 0.000 0.257 351 G HA3 0.463 4.423 3.960 0.001 0.000 0.257 351 G C -2.599 172.201 174.900 -0.166 0.000 1.227 351 G CA -0.883 43.863 45.100 -0.591 0.000 0.835 351 G HN 0.320 nan 8.290 nan 0.000 0.556 352 P HA 0.199 nan 4.420 nan 0.000 0.276 352 P C 0.438 177.838 177.300 0.166 0.000 1.252 352 P CA -0.424 62.728 63.100 0.086 0.000 0.802 352 P CB 1.988 33.767 31.700 0.131 0.000 1.035 353 E N 0.246 120.432 120.200 -0.024 0.000 2.106 353 E HA -0.003 4.347 4.350 0.001 0.000 0.192 353 E C 0.941 177.539 176.600 -0.002 0.000 0.984 353 E CA 1.073 57.420 56.400 -0.089 0.000 0.806 353 E CB -0.252 29.066 29.700 -0.637 0.000 0.750 353 E HN 0.684 nan 8.360 nan 0.000 0.458 354 G N 0.236 109.031 108.800 -0.008 0.000 2.719 354 G HA2 0.495 4.455 3.960 0.001 0.000 0.298 354 G HA3 0.495 4.455 3.960 0.001 0.000 0.298 354 G C -1.152 173.797 174.900 0.081 0.000 1.411 354 G CA -0.652 44.428 45.100 -0.032 0.000 0.991 354 G HN 0.058 nan 8.290 nan 0.000 0.509 355 F N -0.177 119.739 119.950 -0.057 0.000 2.685 355 F HA 0.944 5.472 4.527 0.001 0.000 0.315 355 F C -0.291 175.386 175.800 -0.204 0.000 1.126 355 F CA -1.381 56.569 58.000 -0.083 0.000 0.950 355 F CB 1.401 40.362 39.000 -0.064 0.000 1.360 355 F HN 0.935 nan 8.300 nan 0.000 0.469 356 A N 0.252 122.909 122.820 -0.272 0.000 2.583 356 A HA 0.935 5.255 4.320 0.001 0.000 0.289 356 A C -2.067 175.042 177.584 -0.793 0.000 1.151 356 A CA -0.347 51.251 52.037 -0.731 0.000 0.695 356 A CB 1.250 19.606 19.000 -1.074 0.000 1.290 356 A HN 1.573 nan 8.150 nan 0.000 0.419 357 W N -2.100 118.678 121.300 -0.869 0.000 2.826 357 W HA 0.656 5.317 4.660 0.001 0.000 0.410 357 W C -2.171 174.302 176.519 -0.077 0.000 1.128 357 W CA -0.934 56.148 57.345 -0.438 0.000 1.176 357 W CB 0.561 30.147 29.460 0.209 0.000 1.475 357 W HN 0.510 nan 8.180 nan 0.000 0.588 358 V N 1.977 122.132 119.914 0.402 0.000 2.384 358 V HA 0.175 4.295 4.120 0.001 0.000 0.287 358 V C -0.470 175.900 176.094 0.460 0.000 1.020 358 V CA -0.345 62.153 62.300 0.330 0.000 0.850 358 V CB 0.927 32.980 31.823 0.383 0.000 0.987 358 V HN 0.553 nan 8.190 nan 0.000 0.436 359 D N 3.236 123.813 120.400 0.296 0.000 2.493 359 D HA 0.001 4.641 4.640 0.001 0.000 0.240 359 D C 1.487 177.965 176.300 0.296 0.000 1.142 359 D CA 0.856 55.065 54.000 0.348 0.000 0.872 359 D CB 1.235 42.169 40.800 0.223 0.000 1.173 359 D HN 0.683 nan 8.370 nan 0.000 0.467 360 S N 2.010 117.889 115.700 0.298 0.000 2.399 360 S HA -0.190 4.280 4.470 0.001 0.000 0.231 360 S C 1.826 176.525 174.600 0.165 0.000 1.022 360 S CA 1.250 59.583 58.200 0.221 0.000 0.983 360 S CB -0.465 62.857 63.200 0.204 0.000 0.803 360 S HN 0.514 nan 8.310 nan 0.000 0.480 361 V N -1.880 118.129 119.914 0.159 0.000 2.922 361 V HA 0.179 4.300 4.120 0.001 0.000 0.242 361 V C 2.116 178.277 176.094 0.112 0.000 1.094 361 V CA 1.283 63.655 62.300 0.120 0.000 1.106 361 V CB -1.023 30.865 31.823 0.108 0.000 0.799 361 V HN 0.413 nan 8.190 nan 0.000 0.474 362 T N 0.311 114.940 114.554 0.125 0.000 2.976 362 T HA 0.332 4.682 4.350 0.001 0.000 0.257 362 T C 1.522 176.287 174.700 0.108 0.000 1.051 362 T CA 1.538 63.704 62.100 0.111 0.000 1.141 362 T CB -0.072 68.865 68.868 0.115 0.000 0.881 362 T HN 1.244 nan 8.240 nan 0.000 0.461 363 G N 1.482 110.360 108.800 0.129 0.000 2.157 363 G HA2 -0.120 3.840 3.960 0.001 0.000 0.248 363 G HA3 -0.120 3.840 3.960 0.001 0.000 0.248 363 G C 0.278 175.243 174.900 0.110 0.000 0.979 363 G CA 0.018 45.194 45.100 0.127 0.000 0.650 363 G HN 0.882 nan 8.290 nan 0.000 0.529 364 A N -0.442 122.435 122.820 0.096 0.000 2.498 364 A HA 0.649 4.970 4.320 0.001 0.000 0.239 364 A C 1.976 179.581 177.584 0.036 0.000 1.068 364 A CA 2.128 54.200 52.037 0.058 0.000 0.766 364 A CB 0.134 19.161 19.000 0.045 0.000 1.003 364 A HN 2.379 nan 8.150 nan 0.000 0.497 365 G N 0.522 109.342 108.800 0.035 0.000 2.259 365 G HA2 0.155 4.115 3.960 0.001 0.000 0.217 365 G HA3 0.155 4.115 3.960 0.001 0.000 0.217 365 G C 1.673 176.654 174.900 0.135 0.000 1.001 365 G CA 0.905 46.047 45.100 0.070 0.000 0.627 365 G HN 2.769 nan 8.290 nan 0.000 0.501 366 G N -0.642 108.217 108.800 0.100 0.000 5.206 366 G HA2 -0.010 3.951 3.960 0.001 0.000 0.328 366 G HA3 -0.010 3.951 3.960 0.001 0.000 0.328 366 G C 0.422 175.363 174.900 0.068 0.000 1.382 366 G CA 1.516 46.660 45.100 0.072 0.000 0.994 366 G HN 2.195 nan 8.290 nan 0.000 0.800 367 S N 1.447 117.147 115.700 0.000 0.000 2.567 367 S HA 0.648 5.118 4.470 0.001 0.000 0.270 367 S C -3.006 171.302 174.600 -0.487 0.000 1.152 367 S CA -0.150 57.987 58.200 -0.104 0.000 0.835 367 S CB 2.910 66.065 63.200 -0.075 0.000 1.115 367 S HN 0.772 nan 8.310 nan 0.000 0.459 368 P HA 0.377 nan 4.420 nan 0.000 0.274 368 P C -2.808 174.007 177.300 -0.810 0.000 1.246 368 P CA -1.338 60.907 63.100 -1.426 0.000 0.795 368 P CB -0.726 30.513 31.700 -0.767 0.000 1.006 369 P HA -0.017 nan 4.420 nan 0.000 0.271 369 P C 1.198 178.345 177.300 -0.256 0.000 1.218 369 P CA 0.035 62.884 63.100 -0.419 0.000 0.780 369 P CB 0.417 31.907 31.700 -0.350 0.000 0.901 370 S N 1.806 117.412 115.700 -0.157 0.000 2.387 370 S HA -0.211 4.260 4.470 0.001 0.000 0.230 370 S C 1.809 176.375 174.600 -0.058 0.000 1.035 370 S CA 1.769 59.917 58.200 -0.087 0.000 1.014 370 S CB -1.619 61.545 63.200 -0.060 0.000 0.836 370 S HN 0.609 nan 8.310 nan 0.000 0.466 371 S N 0.889 116.550 115.700 -0.065 0.000 2.507 371 S HA -0.015 4.456 4.470 0.001 0.000 0.235 371 S C 1.529 176.118 174.600 -0.018 0.000 0.988 371 S CA 0.721 58.899 58.200 -0.037 0.000 0.944 371 S CB -0.425 62.751 63.200 -0.040 0.000 0.762 371 S HN 0.743 nan 8.310 nan 0.000 0.526 372 Q N -0.186 119.599 119.800 -0.025 0.000 2.139 372 Q HA 0.336 4.677 4.340 0.001 0.000 0.219 372 Q C 1.370 177.453 176.000 0.138 0.000 0.805 372 Q CA -0.054 55.785 55.803 0.060 0.000 1.024 372 Q CB 0.481 29.258 28.738 0.066 0.000 1.163 372 Q HN 0.501 nan 8.270 nan 0.000 0.485 373 S N 0.486 116.226 115.700 0.066 0.000 2.370 373 S HA -0.142 4.328 4.470 0.001 0.000 0.226 373 S C 1.830 176.525 174.600 0.158 0.000 1.033 373 S CA 1.754 60.021 58.200 0.111 0.000 1.011 373 S CB -0.181 63.045 63.200 0.044 0.000 0.852 373 S HN 0.648 nan 8.310 nan 0.000 0.457 374 G N 0.066 108.937 108.800 0.119 0.000 2.421 374 G HA2 -0.205 3.755 3.960 0.001 0.000 0.216 374 G HA3 -0.205 3.755 3.960 0.001 0.000 0.216 374 G C 1.281 176.250 174.900 0.116 0.000 1.171 374 G CA 0.837 45.995 45.100 0.097 0.000 0.775 374 G HN 0.568 nan 8.290 nan 0.000 0.543 375 F N 0.004 119.964 119.950 0.017 0.000 2.171 375 F HA -0.089 4.438 4.527 0.001 0.000 0.300 375 F C 2.318 178.114 175.800 -0.007 0.000 1.090 375 F CA 1.538 59.525 58.000 -0.022 0.000 1.293 375 F CB -0.126 38.847 39.000 -0.045 0.000 1.013 375 F HN 0.199 nan 8.300 nan 0.000 0.486 376 Y N 1.160 121.501 120.300 0.068 0.000 2.200 376 Y HA -0.189 4.361 4.550 0.001 0.000 0.290 376 Y C 2.845 178.725 175.900 -0.033 0.000 1.137 376 Y CA 1.469 59.597 58.100 0.046 0.000 1.163 376 Y CB -1.126 37.495 38.460 0.270 0.000 0.988 376 Y HN 0.183 nan 8.280 nan 0.000 0.518 377 S N -1.057 114.553 115.700 -0.150 0.000 2.440 377 S HA -0.195 4.275 4.470 0.001 0.000 0.240 377 S C 1.920 176.356 174.600 -0.274 0.000 1.014 377 S CA 1.680 59.742 58.200 -0.231 0.000 0.980 377 S CB -0.921 62.235 63.200 -0.073 0.000 0.775 377 S HN 0.598 nan 8.310 nan 0.000 0.499 378 S N 0.148 115.668 115.700 -0.300 0.000 2.564 378 S HA 0.572 5.043 4.470 0.001 0.000 0.231 378 S C 1.861 176.229 174.600 -0.386 0.000 1.067 378 S CA 0.201 58.224 58.200 -0.294 0.000 0.908 378 S CB -0.312 62.748 63.200 -0.234 0.000 0.809 378 S HN 0.661 nan 8.310 nan 0.000 0.491 379 A N 1.353 123.807 122.820 -0.611 0.000 1.984 379 A HA 0.587 4.907 4.320 0.001 0.000 0.214 379 A C 1.867 179.300 177.584 -0.252 0.000 1.173 379 A CA 0.914 52.551 52.037 -0.666 0.000 0.673 379 A CB -0.994 17.001 19.000 -1.676 0.000 0.830 379 A HN 1.609 nan 8.150 nan 0.000 0.453 380 G N -2.105 106.563 108.800 -0.220 0.000 2.144 380 G HA2 -0.074 3.887 3.960 0.001 0.000 0.218 380 G HA3 -0.074 3.887 3.960 0.001 0.000 0.218 380 G C 0.066 175.380 174.900 0.689 0.000 0.988 380 G CA 0.320 45.469 45.100 0.082 0.000 0.659 380 G HN 1.813 nan 8.290 nan 0.000 0.522 381 F N -3.262 117.053 119.950 0.609 0.000 2.829 381 F HA 0.643 5.170 4.527 0.001 0.000 0.319 381 F C -1.065 175.157 175.800 0.702 0.000 1.153 381 F CA -1.911 56.448 58.000 0.598 0.000 0.912 381 F CB 0.110 39.213 39.000 0.171 0.000 1.292 381 F HN 0.585 nan 8.300 nan 0.000 0.447 382 W N 1.271 122.890 121.300 0.532 0.000 2.864 382 W HA 0.842 5.503 4.660 0.001 0.000 0.343 382 W C -2.167 174.608 176.519 0.427 0.000 1.109 382 W CA -1.879 55.659 57.345 0.323 0.000 1.192 382 W CB 0.863 30.418 29.460 0.159 0.000 1.426 382 W HN 0.447 nan 8.180 nan 0.000 0.529 383 V N 2.966 123.176 119.914 0.493 0.000 2.461 383 V HA 0.233 4.353 4.120 0.001 0.000 0.275 383 V C 0.928 177.223 176.094 0.335 0.000 1.047 383 V CA 0.422 62.939 62.300 0.362 0.000 0.955 383 V CB 0.910 32.843 31.823 0.182 0.000 0.988 383 V HN 0.867 nan 8.190 nan 0.000 0.471 384 T N 0.766 115.468 114.554 0.247 0.000 3.000 384 T HA 0.432 4.782 4.350 0.001 0.000 0.248 384 T C 0.538 175.309 174.700 0.118 0.000 1.034 384 T CA 0.527 62.745 62.100 0.197 0.000 1.060 384 T CB 0.533 69.489 68.868 0.147 0.000 0.983 384 T HN 0.874 nan 8.240 nan 0.000 0.482 385 A N 2.712 125.570 122.820 0.063 0.000 2.569 385 A HA 0.653 4.973 4.320 0.001 0.000 0.282 385 A C -2.233 175.293 177.584 -0.097 0.000 1.165 385 A CA -1.447 50.577 52.037 -0.023 0.000 0.747 385 A CB 1.415 20.328 19.000 -0.145 0.000 1.215 385 A HN 0.070 nan 8.150 nan 0.000 0.431 386 P HA -0.063 nan 4.420 nan 0.000 0.229 386 P C 0.313 177.643 177.300 0.051 0.000 1.160 386 P CA 0.814 63.934 63.100 0.034 0.000 0.777 386 P CB -0.339 31.404 31.700 0.072 0.000 0.814 387 Y N -0.191 120.159 120.300 0.084 0.000 2.299 387 Y HA 0.445 4.995 4.550 0.001 0.000 0.335 387 Y C -0.340 175.646 175.900 0.142 0.000 1.287 387 Y CA -1.463 56.687 58.100 0.085 0.000 1.424 387 Y CB -0.094 38.394 38.460 0.046 0.000 1.326 387 Y HN -0.141 nan 8.280 nan 0.000 0.567 388 Y N 3.968 124.374 120.300 0.176 0.000 2.396 388 Y HA 0.428 4.979 4.550 0.001 0.000 0.332 388 Y C -0.428 175.546 175.900 0.123 0.000 1.034 388 Y CA -1.507 56.632 58.100 0.065 0.000 1.057 388 Y CB 1.428 39.873 38.460 -0.024 0.000 1.220 388 Y HN 0.756 nan 8.280 nan 0.000 0.440 389 I N 4.958 125.218 120.570 -0.518 0.000 3.637 389 I HA 0.318 4.489 4.170 0.001 0.000 0.342 389 I C -0.413 175.476 176.117 -0.379 0.000 1.545 389 I CA -0.437 60.670 61.300 -0.321 0.000 1.126 389 I CB 0.024 38.042 38.000 0.030 0.000 1.375 389 I HN 0.819 nan 8.210 nan 0.000 0.467 390 L N 0.067 120.659 121.223 -1.052 0.000 3.898 390 L HA -0.192 4.148 4.340 0.001 0.000 0.407 390 L C 0.335 177.335 176.870 0.217 0.000 1.207 390 L CA 0.531 55.185 54.840 -0.309 0.000 0.931 390 L CB -1.794 40.215 42.059 -0.082 0.000 2.014 390 L HN 0.595 nan 8.230 nan 0.000 0.858 391 R N 1.474 121.888 120.500 -0.145 0.000 2.641 391 R HA 0.199 4.540 4.340 0.001 0.000 0.269 391 R C -1.155 175.374 176.300 0.382 0.000 1.074 391 R CA -0.833 55.255 56.100 -0.019 0.000 1.133 391 R CB 0.561 30.691 30.300 -0.284 0.000 1.029 391 R HN 0.022 nan 8.270 nan 0.000 0.488 392 P HA 0.013 nan 4.420 nan 0.000 0.260 392 P C 0.146 177.656 177.300 0.351 0.000 1.222 392 P CA 0.391 63.724 63.100 0.388 0.000 0.843 392 P CB 0.459 32.357 31.700 0.329 0.000 1.159 393 E N 0.700 121.113 120.200 0.355 0.000 2.164 393 E HA -0.194 4.156 4.350 0.001 0.000 0.206 393 E C 1.512 178.184 176.600 0.120 0.000 1.032 393 E CA 1.834 58.384 56.400 0.250 0.000 0.832 393 E CB -1.998 27.885 29.700 0.305 0.000 0.742 393 E HN 0.247 nan 8.360 nan 0.000 0.460 394 T N 1.676 116.294 114.554 0.107 0.000 2.896 394 T HA 0.041 4.392 4.350 0.001 0.000 0.263 394 T C 2.143 176.831 174.700 -0.021 0.000 1.050 394 T CA 0.559 62.633 62.100 -0.043 0.000 1.140 394 T CB -0.171 68.542 68.868 -0.259 0.000 0.877 394 T HN 0.064 nan 8.240 nan 0.000 0.457 395 L N 0.882 122.144 121.223 0.064 0.000 2.201 395 L HA -0.042 4.298 4.340 0.001 0.000 0.212 395 L C 2.703 179.562 176.870 -0.018 0.000 1.105 395 L CA 1.145 56.025 54.840 0.066 0.000 0.775 395 L CB -0.382 41.780 42.059 0.172 0.000 0.913 395 L HN 0.348 nan 8.230 nan 0.000 0.440 396 E N -0.160 119.966 120.200 -0.123 0.000 2.047 396 E HA -0.183 4.168 4.350 0.001 0.000 0.191 396 E C 2.190 178.720 176.600 -0.117 0.000 0.987 396 E CA 1.469 57.575 56.400 -0.491 0.000 0.799 396 E CB 0.148 29.581 29.700 -0.444 0.000 0.752 396 E HN 0.354 nan 8.360 nan 0.000 0.449 397 S N 0.663 116.333 115.700 -0.050 0.000 2.387 397 S HA -0.047 4.424 4.470 0.001 0.000 0.226 397 S C 1.971 176.525 174.600 -0.077 0.000 1.026 397 S CA 0.549 58.723 58.200 -0.045 0.000 0.972 397 S CB -0.129 63.001 63.200 -0.117 0.000 0.814 397 S HN 0.247 nan 8.310 nan 0.000 0.477 398 L N 0.049 121.238 121.223 -0.056 0.000 2.046 398 L HA -0.160 4.180 4.340 0.001 0.000 0.208 398 L C 2.339 179.170 176.870 -0.065 0.000 1.077 398 L CA 1.722 56.530 54.840 -0.054 0.000 0.747 398 L CB -0.669 41.404 42.059 0.023 0.000 0.896 398 L HN 0.365 nan 8.230 nan 0.000 0.432 399 Y N -0.256 119.957 120.300 -0.145 0.000 2.128 399 Y HA -0.359 4.192 4.550 0.001 0.000 0.284 399 Y C 2.517 178.308 175.900 -0.182 0.000 1.154 399 Y CA 1.740 59.741 58.100 -0.165 0.000 1.149 399 Y CB -0.510 37.805 38.460 -0.242 0.000 0.976 399 Y HN 0.007 nan 8.280 nan 0.000 0.505 400 Y N -0.013 120.120 120.300 -0.280 0.000 2.207 400 Y HA -0.251 4.299 4.550 0.001 0.000 0.287 400 Y C 2.692 178.323 175.900 -0.449 0.000 1.156 400 Y CA 1.496 59.384 58.100 -0.353 0.000 1.182 400 Y CB -0.910 37.436 38.460 -0.191 0.000 0.979 400 Y HN 0.301 nan 8.280 nan 0.000 0.521 401 A N -0.693 121.872 122.820 -0.425 0.000 1.908 401 A HA -0.278 4.042 4.320 0.001 0.000 0.218 401 A C 2.043 179.137 177.584 -0.817 0.000 1.181 401 A CA 1.831 53.333 52.037 -0.891 0.000 0.627 401 A CB -1.346 16.557 19.000 -1.828 0.000 0.818 401 A HN 0.600 nan 8.150 nan 0.000 0.445 402 Y N 0.520 120.452 120.300 -0.613 0.000 2.181 402 Y HA -0.159 4.392 4.550 0.001 0.000 0.288 402 Y C 2.445 178.190 175.900 -0.259 0.000 1.146 402 Y CA 1.829 59.777 58.100 -0.253 0.000 1.164 402 Y CB -0.203 38.180 38.460 -0.129 0.000 0.982 402 Y HN 0.177 nan 8.280 nan 0.000 0.515 403 R N -0.606 119.565 120.500 -0.548 0.000 2.120 403 R HA -0.109 4.231 4.340 0.001 0.000 0.234 403 R C 2.282 178.355 176.300 -0.378 0.000 1.123 403 R CA 1.335 57.105 56.100 -0.550 0.000 0.975 403 R CB -0.994 28.945 30.300 -0.602 0.000 0.866 403 R HN 0.397 nan 8.270 nan 0.000 0.446 404 V N 1.001 120.732 119.914 -0.305 0.000 3.052 404 V HA -0.093 4.027 4.120 0.001 0.000 0.254 404 V C 1.989 177.988 176.094 -0.159 0.000 1.100 404 V CA 2.014 64.203 62.300 -0.186 0.000 1.112 404 V CB 0.116 31.865 31.823 -0.124 0.000 0.738 404 V HN 0.508 nan 8.190 nan 0.000 0.469 405 T N -4.415 110.029 114.554 -0.184 0.000 3.018 405 T HA 0.289 4.639 4.350 0.001 0.000 0.246 405 T C 1.664 176.314 174.700 -0.085 0.000 1.026 405 T CA 0.995 63.059 62.100 -0.060 0.000 1.081 405 T CB 0.549 69.489 68.868 0.121 0.000 0.970 405 T HN 1.186 nan 8.240 nan 0.000 0.475 406 G N 1.790 110.433 108.800 -0.263 0.000 2.155 406 G HA2 -0.225 3.735 3.960 0.001 0.000 0.257 406 G HA3 -0.225 3.735 3.960 0.001 0.000 0.257 406 G C -0.236 174.677 174.900 0.021 0.000 0.983 406 G CA 0.218 45.115 45.100 -0.338 0.000 0.676 406 G HN 0.738 nan 8.290 nan 0.000 0.528 407 D N 0.789 121.328 120.400 0.232 0.000 2.325 407 D HA 0.459 5.099 4.640 0.001 0.000 0.251 407 D C 1.909 178.431 176.300 0.369 0.000 1.196 407 D CA 0.439 54.601 54.000 0.271 0.000 0.866 407 D CB 0.847 41.780 40.800 0.223 0.000 1.101 407 D HN 0.292 nan 8.370 nan 0.000 0.476 408 S N 4.082 119.921 115.700 0.232 0.000 2.420 408 S HA -0.257 4.213 4.470 0.001 0.000 0.237 408 S C 1.751 176.360 174.600 0.016 0.000 1.023 408 S CA 0.933 59.217 58.200 0.141 0.000 0.991 408 S CB -0.198 63.039 63.200 0.061 0.000 0.792 408 S HN 0.622 nan 8.310 nan 0.000 0.488 409 K N 0.475 120.813 120.400 -0.103 0.000 2.127 409 K HA -0.194 4.126 4.320 0.001 0.000 0.208 409 K C 1.658 178.070 176.600 -0.314 0.000 1.047 409 K CA 1.849 57.964 56.287 -0.286 0.000 0.927 409 K CB -0.393 31.802 32.500 -0.508 0.000 0.716 409 K HN 0.665 nan 8.250 nan 0.000 0.450 410 W N 1.226 122.519 121.300 -0.012 0.000 2.388 410 W HA -0.115 4.546 4.660 0.001 0.000 0.294 410 W C 2.439 178.890 176.519 -0.115 0.000 1.212 410 W CA 0.634 57.943 57.345 -0.059 0.000 1.271 410 W CB -0.118 29.374 29.460 0.053 0.000 1.126 410 W HN 0.230 nan 8.180 nan 0.000 0.535 411 Q N 0.148 119.966 119.800 0.031 0.000 2.079 411 Q HA -0.189 4.152 4.340 0.001 0.000 0.200 411 Q C 1.633 177.781 176.000 0.246 0.000 0.974 411 Q CA 1.495 57.302 55.803 0.008 0.000 0.840 411 Q CB -0.350 28.329 28.738 -0.098 0.000 0.898 411 Q HN 0.249 nan 8.270 nan 0.000 0.430 412 D N 0.712 121.179 120.400 0.112 0.000 2.117 412 D HA -0.123 4.517 4.640 0.001 0.000 0.197 412 D C 2.000 178.381 176.300 0.135 0.000 0.987 412 D CA 0.944 55.028 54.000 0.139 0.000 0.829 412 D CB -0.161 40.657 40.800 0.029 0.000 0.961 412 D HN 0.205 nan 8.370 nan 0.000 0.460 413 L N 0.704 121.883 121.223 -0.073 0.000 2.017 413 L HA -0.142 4.199 4.340 0.001 0.000 0.208 413 L C 2.598 179.388 176.870 -0.133 0.000 1.073 413 L CA 1.218 55.848 54.840 -0.350 0.000 0.745 413 L CB -0.559 40.988 42.059 -0.853 0.000 0.894 413 L HN -0.026 nan 8.230 nan 0.000 0.432 414 A N -0.300 122.532 122.820 0.020 0.000 1.902 414 A HA -0.277 4.044 4.320 0.001 0.000 0.217 414 A C 2.192 179.992 177.584 0.360 0.000 1.181 414 A CA 1.502 53.624 52.037 0.143 0.000 0.623 414 A CB -1.130 17.911 19.000 0.069 0.000 0.818 414 A HN 0.720 nan 8.150 nan 0.000 0.443 415 W N 0.827 122.330 121.300 0.338 0.000 2.374 415 W HA -0.173 4.488 4.660 0.001 0.000 0.288 415 W C 1.801 178.450 176.519 0.216 0.000 1.218 415 W CA 1.817 59.360 57.345 0.329 0.000 1.245 415 W CB -0.027 29.529 29.460 0.160 0.000 1.126 415 W HN 0.627 nan 8.180 nan 0.000 0.545 416 E N 0.477 120.786 120.200 0.182 0.000 2.107 416 E HA -0.156 4.194 4.350 0.001 0.000 0.191 416 E C 2.337 179.024 176.600 0.144 0.000 0.982 416 E CA 1.291 57.763 56.400 0.120 0.000 0.809 416 E CB -0.266 29.612 29.700 0.296 0.000 0.756 416 E HN 0.165 nan 8.360 nan 0.000 0.459 417 A N 1.376 124.353 122.820 0.262 0.000 1.877 417 A HA -0.169 4.152 4.320 0.001 0.000 0.216 417 A C 2.188 179.895 177.584 0.204 0.000 1.186 417 A CA 1.376 53.594 52.037 0.301 0.000 0.620 417 A CB -0.762 18.368 19.000 0.217 0.000 0.822 417 A HN 0.394 nan 8.150 nan 0.000 0.443 418 L N -0.229 121.068 121.223 0.123 0.000 2.046 418 L HA -0.123 4.218 4.340 0.001 0.000 0.208 418 L C 2.479 179.302 176.870 -0.077 0.000 1.077 418 L CA 2.466 57.353 54.840 0.077 0.000 0.747 418 L CB -0.349 41.766 42.059 0.094 0.000 0.896 418 L HN 0.287 nan 8.230 nan 0.000 0.432 419 S N 0.052 115.560 115.700 -0.320 0.000 2.356 419 S HA -0.147 4.323 4.470 0.001 0.000 0.223 419 S C 2.114 176.661 174.600 -0.088 0.000 1.032 419 S CA 1.174 59.169 58.200 -0.342 0.000 1.005 419 S CB -0.684 62.196 63.200 -0.534 0.000 0.867 419 S HN 0.689 nan 8.310 nan 0.000 0.449 420 A N 1.500 124.309 122.820 -0.020 0.000 1.877 420 A HA -0.067 4.254 4.320 0.001 0.000 0.216 420 A C 2.091 179.706 177.584 0.050 0.000 1.186 420 A CA 1.282 53.337 52.037 0.031 0.000 0.620 420 A CB -0.791 18.247 19.000 0.064 0.000 0.822 420 A HN 0.470 nan 8.150 nan 0.000 0.443 421 I N -0.664 119.960 120.570 0.091 0.000 2.127 421 I HA -0.296 3.875 4.170 0.001 0.000 0.241 421 I C 2.626 178.839 176.117 0.160 0.000 1.075 421 I CA 2.018 63.398 61.300 0.134 0.000 1.334 421 I CB -0.420 37.738 38.000 0.264 0.000 1.040 421 I HN 0.568 nan 8.210 nan 0.000 0.405 422 E N 1.007 121.307 120.200 0.167 0.000 2.110 422 E HA -0.269 4.081 4.350 0.001 0.000 0.193 422 E C 1.626 178.369 176.600 0.238 0.000 0.988 422 E CA 1.665 58.221 56.400 0.259 0.000 0.804 422 E CB 0.072 29.903 29.700 0.217 0.000 0.745 422 E HN 0.406 nan 8.360 nan 0.000 0.458 423 D N 0.073 120.548 120.400 0.125 0.000 2.097 423 D HA -0.114 4.526 4.640 0.001 0.000 0.197 423 D C 1.749 178.096 176.300 0.078 0.000 0.984 423 D CA 1.639 55.692 54.000 0.089 0.000 0.826 423 D CB -0.283 40.547 40.800 0.051 0.000 0.973 423 D HN 0.322 nan 8.370 nan 0.000 0.460 424 A N -0.351 122.512 122.820 0.072 0.000 2.021 424 A HA -0.043 4.277 4.320 0.001 0.000 0.216 424 A C 2.234 179.857 177.584 0.065 0.000 1.163 424 A CA 0.585 52.654 52.037 0.055 0.000 0.676 424 A CB -0.386 18.637 19.000 0.039 0.000 0.818 424 A HN 0.332 nan 8.150 nan 0.000 0.453 425 C N -0.375 118.990 119.300 0.110 0.000 2.563 425 C HA 0.196 4.656 4.460 0.001 0.000 0.268 425 C C 1.265 176.300 174.990 0.076 0.000 1.365 425 C CA -0.693 58.386 59.018 0.101 0.000 1.754 425 C CB -1.097 26.705 27.740 0.103 0.000 1.932 425 C HN 0.365 nan 8.230 nan 0.000 0.536 426 R N 1.955 122.501 120.500 0.078 0.000 2.502 426 R HA 0.352 4.692 4.340 0.001 0.000 0.292 426 R C -0.240 175.962 176.300 -0.163 0.000 0.998 426 R CA 0.634 56.611 56.100 -0.206 0.000 1.056 426 R CB 0.086 30.308 30.300 -0.129 0.000 0.939 426 R HN 0.500 nan 8.270 nan 0.000 0.411 427 A N 2.283 124.967 122.820 -0.228 0.000 2.540 427 A HA 0.550 4.871 4.320 0.001 0.000 0.297 427 A C 0.268 177.766 177.584 -0.144 0.000 1.056 427 A CA -0.008 51.944 52.037 -0.142 0.000 0.700 427 A CB 1.423 20.360 19.000 -0.105 0.000 1.280 427 A HN 0.849 nan 8.150 nan 0.000 0.398 428 G N 1.576 110.309 108.800 -0.112 0.000 2.614 428 G HA2 -0.189 3.771 3.960 0.001 0.000 0.303 428 G HA3 -0.189 3.771 3.960 0.001 0.000 0.303 428 G C 1.430 176.272 174.900 -0.097 0.000 1.270 428 G CA 1.432 46.467 45.100 -0.107 0.000 0.988 428 G HN 2.320 nan 8.290 nan 0.000 0.551 429 S N 0.121 115.774 115.700 -0.078 0.000 2.515 429 S HA 0.528 4.999 4.470 0.001 0.000 0.231 429 S C 1.238 175.850 174.600 0.020 0.000 0.987 429 S CA 1.652 59.862 58.200 0.016 0.000 0.936 429 S CB -0.011 63.256 63.200 0.112 0.000 0.766 429 S HN 2.217 nan 8.310 nan 0.000 0.528 430 A N -0.074 122.698 122.820 -0.081 0.000 2.588 430 A HA 0.726 5.047 4.320 0.001 0.000 0.172 430 A C -1.577 175.694 177.584 -0.521 0.000 1.149 430 A CA -0.659 51.277 52.037 -0.168 0.000 1.987 430 A CB 0.168 19.238 19.000 0.116 0.000 2.500 430 A HN 0.315 nan 8.150 nan 0.000 0.982 431 Y N -0.281 119.946 120.300 -0.122 0.000 2.477 431 Y HA 0.733 5.284 4.550 0.001 0.000 0.347 431 Y C 0.279 175.966 175.900 -0.356 0.000 0.981 431 Y CA -0.173 57.747 58.100 -0.300 0.000 1.033 431 Y CB 2.307 40.404 38.460 -0.606 0.000 1.245 431 Y HN 0.633 nan 8.280 nan 0.000 0.455 432 S N 0.579 116.183 115.700 -0.160 0.000 2.627 432 S HA 0.678 5.149 4.470 0.001 0.000 0.283 432 S C -0.912 173.595 174.600 -0.154 0.000 1.127 432 S CA -0.681 57.418 58.200 -0.168 0.000 0.863 432 S CB 1.090 64.218 63.200 -0.121 0.000 1.121 432 S HN 0.583 nan 8.310 nan 0.000 0.479 433 S N 1.568 117.176 115.700 -0.154 0.000 2.584 433 S HA 0.463 4.933 4.470 0.001 0.000 0.270 433 S C 0.158 174.734 174.600 -0.040 0.000 1.346 433 S CA -0.308 57.822 58.200 -0.116 0.000 1.018 433 S CB -0.137 62.992 63.200 -0.118 0.000 0.899 433 S HN 0.667 nan 8.310 nan 0.000 0.542 434 I N -0.807 119.788 120.570 0.041 0.000 2.740 434 I HA 0.556 4.727 4.170 0.001 0.000 0.303 434 I C 0.203 176.384 176.117 0.106 0.000 1.044 434 I CA -1.084 60.256 61.300 0.068 0.000 1.064 434 I CB 1.650 39.710 38.000 0.101 0.000 1.249 434 I HN 0.282 nan 8.210 nan 0.000 0.433 435 N N 1.290 120.035 118.700 0.075 0.000 2.290 435 N HA -0.018 4.722 4.740 0.001 0.000 0.179 435 N C -0.346 175.241 175.510 0.128 0.000 1.016 435 N CA 1.058 54.167 53.050 0.098 0.000 0.871 435 N CB 0.016 38.529 38.487 0.043 0.000 0.987 435 N HN 0.695 nan 8.380 nan 0.000 0.431 436 D N 0.072 120.523 120.400 0.085 0.000 2.476 436 D HA 0.128 4.768 4.640 0.001 0.000 0.251 436 D C 0.354 176.676 176.300 0.036 0.000 1.291 436 D CA -0.361 53.677 54.000 0.063 0.000 0.939 436 D CB 1.666 42.487 40.800 0.036 0.000 1.221 436 D HN -0.305 nan 8.370 nan 0.000 0.567 437 V N 3.343 123.276 119.914 0.032 0.000 2.913 437 V HA -0.128 3.992 4.120 0.001 0.000 0.260 437 V C 2.070 178.142 176.094 -0.037 0.000 1.098 437 V CA 2.528 64.821 62.300 -0.011 0.000 1.121 437 V CB -0.291 31.511 31.823 -0.035 0.000 0.714 437 V HN 0.777 nan 8.190 nan 0.000 0.487 438 T N -2.455 112.072 114.554 -0.044 0.000 3.169 438 T HA 0.097 4.447 4.350 0.001 0.000 0.250 438 T C 0.686 175.351 174.700 -0.059 0.000 1.111 438 T CA 0.015 62.062 62.100 -0.089 0.000 1.010 438 T CB -0.048 68.730 68.868 -0.150 0.000 0.984 438 T HN 0.366 nan 8.240 nan 0.000 0.537 439 Q N 0.381 120.164 119.800 -0.029 0.000 2.307 439 Q HA 0.627 4.967 4.340 0.001 0.000 0.262 439 Q C 1.239 177.234 176.000 -0.009 0.000 0.961 439 Q CA -0.040 55.753 55.803 -0.016 0.000 0.882 439 Q CB 1.781 30.516 28.738 -0.005 0.000 1.264 439 Q HN 0.321 nan 8.270 nan 0.000 0.446 440 A N 3.879 126.697 122.820 -0.004 0.000 1.954 440 A HA -0.277 4.044 4.320 0.001 0.000 0.222 440 A C 0.975 178.563 177.584 0.006 0.000 1.199 440 A CA 2.374 54.413 52.037 0.003 0.000 0.657 440 A CB -0.181 18.823 19.000 0.007 0.000 0.823 440 A HN 0.777 nan 8.150 nan 0.000 0.463 441 N N -2.052 116.651 118.700 0.006 0.000 2.273 441 N HA 0.407 5.148 4.740 0.001 0.000 0.231 441 N C 0.801 176.318 175.510 0.012 0.000 1.134 441 N CA 0.846 53.902 53.050 0.010 0.000 0.856 441 N CB 0.958 39.450 38.487 0.008 0.000 1.068 441 N HN 0.628 nan 8.380 nan 0.000 0.510 442 G N -0.105 108.702 108.800 0.011 0.000 2.234 442 G HA2 -0.239 3.721 3.960 0.001 0.000 0.235 442 G HA3 -0.239 3.721 3.960 0.001 0.000 0.235 442 G C 0.862 175.776 174.900 0.024 0.000 0.997 442 G CA -0.062 45.051 45.100 0.022 0.000 0.623 442 G HN 0.770 nan 8.290 nan 0.000 0.514 443 G N -0.444 108.363 108.800 0.013 0.000 2.176 443 G HA2 0.446 4.406 3.960 0.001 0.000 0.252 443 G HA3 0.446 4.406 3.960 0.001 0.000 0.252 443 G C 1.648 176.552 174.900 0.007 0.000 1.024 443 G CA 0.894 46.001 45.100 0.011 0.000 0.755 443 G HN 2.940 nan 8.290 nan 0.000 0.507 444 G N -1.787 107.014 108.800 0.001 0.000 2.788 444 G HA2 0.504 4.465 3.960 0.001 0.000 0.686 444 G HA3 0.504 4.465 3.960 0.001 0.000 0.686 444 G C 0.055 174.947 174.900 -0.014 0.000 1.147 444 G CA 0.654 45.747 45.100 -0.010 0.000 0.755 444 G HN 2.228 nan 8.290 nan 0.000 0.634 445 A N 1.254 124.055 122.820 -0.031 0.000 2.328 445 A HA 0.763 5.083 4.320 0.001 0.000 0.284 445 A C 1.400 178.944 177.584 -0.067 0.000 1.160 445 A CA 0.707 52.715 52.037 -0.047 0.000 0.818 445 A CB 0.602 19.566 19.000 -0.061 0.000 1.087 445 A HN 2.251 nan 8.150 nan 0.000 0.504 446 S N 1.493 117.144 115.700 -0.081 0.000 2.710 446 S HA 0.176 4.646 4.470 0.001 0.000 0.224 446 S C 0.154 174.657 174.600 -0.163 0.000 0.948 446 S CA 0.451 58.584 58.200 -0.112 0.000 0.949 446 S CB -0.512 62.618 63.200 -0.117 0.000 0.778 446 S HN 0.919 nan 8.310 nan 0.000 0.498 447 D N 0.939 121.248 120.400 -0.153 0.000 3.082 447 D HA -0.167 4.474 4.640 0.001 0.000 0.234 447 D C -0.920 175.189 176.300 -0.319 0.000 1.159 447 D CA 1.220 55.108 54.000 -0.186 0.000 0.875 447 D CB -1.362 39.337 40.800 -0.167 0.000 0.946 447 D HN 0.669 nan 8.370 nan 0.000 0.411 448 D N 1.305 121.568 120.400 -0.229 0.000 2.747 448 D HA 0.343 4.983 4.640 0.001 0.000 0.218 448 D C -1.408 174.820 176.300 -0.121 0.000 1.230 448 D CA -0.504 53.363 54.000 -0.221 0.000 0.774 448 D CB 0.731 41.354 40.800 -0.295 0.000 1.667 448 D HN 0.181 nan 8.370 nan 0.000 0.499 449 M N 3.195 122.781 119.600 -0.024 0.000 1.987 449 M HA 0.315 4.795 4.480 0.001 0.000 0.298 449 M C -0.781 175.490 176.300 -0.047 0.000 0.892 449 M CA -0.568 54.684 55.300 -0.079 0.000 0.885 449 M CB 0.933 33.527 32.600 -0.010 0.000 1.469 449 M HN 0.203 nan 8.290 nan 0.000 0.389 450 E N 1.300 121.366 120.200 -0.224 0.000 2.418 450 E HA 0.001 4.351 4.350 0.001 0.000 0.261 450 E C 1.011 177.433 176.600 -0.297 0.000 1.070 450 E CA 0.465 56.612 56.400 -0.421 0.000 0.931 450 E CB 1.119 30.151 29.700 -1.113 0.000 0.954 450 E HN 0.820 nan 8.360 nan 0.000 0.439 451 S N 2.060 117.647 115.700 -0.188 0.000 2.419 451 S HA -0.203 4.268 4.470 0.001 0.000 0.233 451 S C 1.674 176.362 174.600 0.148 0.000 1.016 451 S CA 1.236 59.477 58.200 0.069 0.000 0.974 451 S CB -0.536 62.696 63.200 0.053 0.000 0.786 451 S HN 0.538 nan 8.310 nan 0.000 0.492 452 F N 0.187 120.258 119.950 0.202 0.000 2.641 452 F HA 0.246 4.773 4.527 0.001 0.000 0.298 452 F C 2.082 178.005 175.800 0.204 0.000 1.146 452 F CA -0.837 57.259 58.000 0.161 0.000 1.464 452 F CB -1.288 37.781 39.000 0.115 0.000 1.101 452 F HN 0.347 nan 8.300 nan 0.000 0.585 453 W N 0.870 122.254 121.300 0.140 0.000 2.379 453 W HA -0.200 4.461 4.660 0.001 0.000 0.307 453 W C 1.282 177.826 176.519 0.043 0.000 1.200 453 W CA 1.479 58.860 57.345 0.060 0.000 1.297 453 W CB -0.770 28.584 29.460 -0.177 0.000 1.140 453 W HN 0.112 nan 8.180 nan 0.000 0.507 454 F N 1.224 121.201 119.950 0.046 0.000 2.128 454 F HA -0.100 4.427 4.527 0.001 0.000 0.295 454 F C 2.833 178.679 175.800 0.077 0.000 1.100 454 F CA 2.096 60.104 58.000 0.014 0.000 1.260 454 F CB -1.008 38.038 39.000 0.076 0.000 1.009 454 F HN -0.104 nan 8.300 nan 0.000 0.476 455 A N -0.602 122.386 122.820 0.280 0.000 1.930 455 A HA -0.067 4.254 4.320 0.001 0.000 0.215 455 A C 1.900 179.436 177.584 -0.079 0.000 1.176 455 A CA 1.538 53.651 52.037 0.126 0.000 0.632 455 A CB -0.304 18.767 19.000 0.119 0.000 0.819 455 A HN 0.407 nan 8.150 nan 0.000 0.445 456 E N -1.123 119.066 120.200 -0.019 0.000 2.290 456 E HA 0.251 4.601 4.350 0.001 0.000 0.195 456 E C 2.341 178.918 176.600 -0.038 0.000 0.938 456 E CA 0.424 56.762 56.400 -0.104 0.000 1.018 456 E CB -0.270 29.480 29.700 0.082 0.000 1.042 456 E HN 0.386 nan 8.360 nan 0.000 0.483 457 A N 1.928 124.811 122.820 0.105 0.000 1.892 457 A HA -0.194 4.127 4.320 0.001 0.000 0.218 457 A C 2.230 179.749 177.584 -0.107 0.000 1.188 457 A CA 1.505 53.609 52.037 0.111 0.000 0.631 457 A CB -0.878 18.285 19.000 0.271 0.000 0.822 457 A HN 0.135 nan 8.150 nan 0.000 0.447 458 L N -1.176 119.842 121.223 -0.342 0.000 2.240 458 L HA -0.083 4.257 4.340 0.001 0.000 0.211 458 L C 2.543 179.316 176.870 -0.162 0.000 1.106 458 L CA 1.439 56.098 54.840 -0.302 0.000 0.793 458 L CB -0.317 41.512 42.059 -0.383 0.000 0.927 458 L HN 0.493 nan 8.230 nan 0.000 0.446 459 K N -0.101 120.161 120.400 -0.230 0.000 2.001 459 K HA -0.188 4.132 4.320 0.001 0.000 0.208 459 K C 2.259 178.667 176.600 -0.320 0.000 1.048 459 K CA 1.526 57.633 56.287 -0.299 0.000 0.932 459 K CB -0.176 32.057 32.500 -0.446 0.000 0.715 459 K HN 0.034 nan 8.250 nan 0.000 0.437 460 Y N 0.642 120.775 120.300 -0.278 0.000 2.181 460 Y HA -0.127 4.424 4.550 0.001 0.000 0.288 460 Y C 2.417 178.154 175.900 -0.270 0.000 1.146 460 Y CA 1.169 59.005 58.100 -0.439 0.000 1.164 460 Y CB -0.847 37.400 38.460 -0.355 0.000 0.982 460 Y HN 0.218 nan 8.280 nan 0.000 0.515 461 A N -0.767 122.075 122.820 0.037 0.000 1.940 461 A HA -0.264 4.056 4.320 0.001 0.000 0.219 461 A C 2.123 179.737 177.584 0.050 0.000 1.176 461 A CA 1.814 53.881 52.037 0.050 0.000 0.631 461 A CB -1.315 17.785 19.000 0.166 0.000 0.814 461 A HN 0.581 nan 8.150 nan 0.000 0.446 462 Y N 0.441 120.725 120.300 -0.027 0.000 2.133 462 Y HA -0.096 4.454 4.550 0.001 0.000 0.287 462 Y C 1.922 177.815 175.900 -0.010 0.000 1.134 462 Y CA 1.711 59.829 58.100 0.031 0.000 1.133 462 Y CB -0.417 38.005 38.460 -0.063 0.000 0.987 462 Y HN 0.186 nan 8.280 nan 0.000 0.502 463 L N 0.039 121.148 121.223 -0.191 0.000 2.127 463 L HA -0.235 4.106 4.340 0.001 0.000 0.211 463 L C 2.533 179.367 176.870 -0.059 0.000 1.089 463 L CA 1.480 56.202 54.840 -0.195 0.000 0.757 463 L CB -0.555 41.403 42.059 -0.167 0.000 0.899 463 L HN 0.365 nan 8.230 nan 0.000 0.434 464 I N -0.972 119.512 120.570 -0.143 0.000 2.614 464 I HA -0.279 3.891 4.170 0.001 0.000 0.258 464 I C 1.524 177.338 176.117 -0.506 0.000 1.189 464 I CA 1.193 62.338 61.300 -0.259 0.000 1.462 464 I CB 0.162 37.856 38.000 -0.510 0.000 1.092 464 I HN 0.118 nan 8.210 nan 0.000 0.442 465 F N 0.406 120.276 119.950 -0.135 0.000 2.717 465 F HA 0.409 4.936 4.527 0.001 0.000 0.297 465 F C 1.391 177.054 175.800 -0.229 0.000 1.113 465 F CA -0.175 57.713 58.000 -0.187 0.000 1.319 465 F CB -0.975 37.935 39.000 -0.150 0.000 1.097 465 F HN -0.121 nan 8.300 nan 0.000 0.595 466 A N 0.633 123.304 122.820 -0.248 0.000 2.327 466 A HA 0.257 4.578 4.320 0.001 0.000 0.255 466 A C 0.542 178.066 177.584 -0.099 0.000 1.099 466 A CA -0.389 51.438 52.037 -0.351 0.000 0.801 466 A CB 0.033 18.562 19.000 -0.785 0.000 1.062 466 A HN 0.332 nan 8.150 nan 0.000 0.496 467 E N 0.247 120.419 120.200 -0.048 0.000 2.391 467 E HA 0.152 4.502 4.350 0.001 0.000 0.255 467 E C -0.186 176.433 176.600 0.032 0.000 1.187 467 E CA -0.551 55.856 56.400 0.012 0.000 0.941 467 E CB 0.393 30.108 29.700 0.025 0.000 1.010 467 E HN 0.552 nan 8.360 nan 0.000 0.458 468 E N 0.745 120.966 120.200 0.035 0.000 2.404 468 E HA 0.108 4.459 4.350 0.001 0.000 0.261 468 E C -0.688 175.932 176.600 0.033 0.000 1.074 468 E CA 0.154 56.576 56.400 0.037 0.000 0.917 468 E CB 1.043 30.756 29.700 0.022 0.000 0.965 468 E HN 0.543 nan 8.360 nan 0.000 0.433 469 S N 1.473 117.198 115.700 0.041 0.000 2.597 469 S HA 0.166 4.637 4.470 0.001 0.000 0.274 469 S C -0.005 174.620 174.600 0.041 0.000 1.132 469 S CA -0.762 57.452 58.200 0.023 0.000 0.835 469 S CB 0.625 63.858 63.200 0.055 0.000 1.092 469 S HN 0.241 nan 8.310 nan 0.000 0.457 470 D N 1.320 121.742 120.400 0.036 0.000 2.149 470 D HA -0.085 4.555 4.640 0.001 0.000 0.198 470 D C 2.030 178.391 176.300 0.102 0.000 0.990 470 D CA 1.495 55.567 54.000 0.119 0.000 0.839 470 D CB -0.457 40.485 40.800 0.236 0.000 0.948 470 D HN 0.414 nan 8.370 nan 0.000 0.460 471 V N 0.984 120.815 119.914 -0.138 0.000 2.594 471 V HA -0.185 3.936 4.120 0.001 0.000 0.253 471 V C 1.236 177.336 176.094 0.011 0.000 1.069 471 V CA 1.050 63.145 62.300 -0.341 0.000 1.082 471 V CB -0.437 31.147 31.823 -0.398 0.000 0.680 471 V HN 0.264 nan 8.190 nan 0.000 0.469 472 Q N 0.119 119.994 119.800 0.126 0.000 2.392 472 Q HA 0.204 4.545 4.340 0.001 0.000 0.262 472 Q C -0.172 175.957 176.000 0.215 0.000 1.003 472 Q CA -0.091 55.859 55.803 0.245 0.000 0.888 472 Q CB 1.486 30.327 28.738 0.171 0.000 1.260 472 Q HN 0.268 nan 8.270 nan 0.000 0.435 473 V N 3.855 123.912 119.914 0.239 0.000 2.479 473 V HA -0.062 4.059 4.120 0.001 0.000 0.281 473 V C 0.371 176.478 176.094 0.021 0.000 1.031 473 V CA 0.049 62.424 62.300 0.124 0.000 1.038 473 V CB 0.602 32.426 31.823 0.002 0.000 0.981 473 V HN 0.562 nan 8.190 nan 0.000 0.478 474 Q N 3.664 123.492 119.800 0.047 0.000 2.279 474 Q HA 0.423 4.763 4.340 0.001 0.000 0.256 474 Q C 0.975 176.974 176.000 -0.002 0.000 0.937 474 Q CA 0.074 55.884 55.803 0.012 0.000 0.933 474 Q CB 1.608 30.363 28.738 0.029 0.000 1.189 474 Q HN 0.806 nan 8.270 nan 0.000 0.417 475 A N 2.603 125.400 122.820 -0.038 0.000 1.929 475 A HA -0.069 4.251 4.320 0.001 0.000 0.216 475 A C 1.307 178.884 177.584 -0.011 0.000 1.176 475 A CA 1.222 53.237 52.037 -0.037 0.000 0.628 475 A CB 0.078 19.032 19.000 -0.077 0.000 0.816 475 A HN 0.640 nan 8.150 nan 0.000 0.444 476 T N 0.531 115.078 114.554 -0.012 0.000 3.312 476 T HA 0.464 4.815 4.350 0.001 0.000 0.251 476 T C 0.875 175.579 174.700 0.007 0.000 1.012 476 T CA 0.659 62.758 62.100 -0.002 0.000 0.925 476 T CB -0.762 68.101 68.868 -0.008 0.000 1.049 476 T HN 1.353 nan 8.240 nan 0.000 0.583 477 G N 0.824 109.633 108.800 0.015 0.000 2.750 477 G HA2 0.218 4.179 3.960 0.001 0.000 0.228 477 G HA3 0.218 4.179 3.960 0.001 0.000 0.228 477 G C 0.627 175.533 174.900 0.010 0.000 1.367 477 G CA -0.357 44.754 45.100 0.017 0.000 0.871 477 G HN 1.294 nan 8.290 nan 0.000 0.560 478 G N -1.420 107.380 108.800 0.000 0.000 2.137 478 G HA2 -0.243 3.717 3.960 0.001 0.000 0.237 478 G HA3 -0.243 3.717 3.960 0.001 0.000 0.237 478 G C 0.216 175.118 174.900 0.004 0.000 1.002 478 G CA 0.842 45.938 45.100 -0.007 0.000 0.702 478 G HN 1.346 nan 8.290 nan 0.000 0.515 479 N N 0.339 119.047 118.700 0.013 0.000 2.452 479 N HA 0.172 4.912 4.740 0.001 0.000 0.266 479 N C 1.178 176.687 175.510 -0.001 0.000 1.209 479 N CA 0.347 53.422 53.050 0.043 0.000 0.929 479 N CB 0.761 39.287 38.487 0.066 0.000 1.063 479 N HN 0.434 nan 8.380 nan 0.000 0.472 480 K N 1.638 122.049 120.400 0.019 0.000 2.374 480 K HA 0.174 4.494 4.320 0.001 0.000 0.196 480 K C -0.435 175.915 176.600 -0.418 0.000 1.023 480 K CA 0.382 56.571 56.287 -0.164 0.000 1.103 480 K CB 0.451 32.864 32.500 -0.146 0.000 0.848 480 K HN 0.349 nan 8.250 nan 0.000 0.528 481 F N -0.435 119.494 119.950 -0.035 0.000 2.588 481 F HA 0.407 4.934 4.527 0.001 0.000 0.314 481 F C -0.614 175.136 175.800 -0.083 0.000 1.069 481 F CA -1.182 56.773 58.000 -0.075 0.000 0.931 481 F CB 1.983 40.886 39.000 -0.162 0.000 1.260 481 F HN -0.428 nan 8.300 nan 0.000 0.465 482 V N 3.305 123.265 119.914 0.076 0.000 2.686 482 V HA 0.531 4.651 4.120 0.001 0.000 0.306 482 V C -1.440 174.604 176.094 -0.085 0.000 1.065 482 V CA -0.791 61.544 62.300 0.057 0.000 0.894 482 V CB 1.441 33.329 31.823 0.108 0.000 1.004 482 V HN 0.570 nan 8.190 nan 0.000 0.424 483 F N 6.783 126.788 119.950 0.092 0.000 2.412 483 F HA 0.432 4.959 4.527 0.001 0.000 0.348 483 F C 1.022 176.791 175.800 -0.052 0.000 1.102 483 F CA 0.013 58.019 58.000 0.010 0.000 1.196 483 F CB 1.005 40.111 39.000 0.176 0.000 1.144 483 F HN 0.782 nan 8.300 nan 0.000 0.541 484 N N 0.752 119.420 118.700 -0.052 0.000 2.364 484 N HA -0.008 4.732 4.740 0.001 0.000 0.264 484 N C 0.770 176.439 175.510 0.266 0.000 1.263 484 N CA -0.154 52.906 53.050 0.018 0.000 0.959 484 N CB 0.614 39.001 38.487 -0.168 0.000 1.204 484 N HN 0.573 nan 8.380 nan 0.000 0.550 485 T N -1.242 113.562 114.554 0.417 0.000 3.155 485 T HA -0.093 4.258 4.350 0.001 0.000 0.264 485 T C 0.490 175.241 174.700 0.084 0.000 1.160 485 T CA 0.924 63.159 62.100 0.226 0.000 1.075 485 T CB -0.275 68.631 68.868 0.064 0.000 0.921 485 T HN 0.606 nan 8.240 nan 0.000 0.533 486 E N 0.086 120.291 120.200 0.009 0.000 2.609 486 E HA 0.580 4.930 4.350 0.001 0.000 0.208 486 E C 0.685 177.024 176.600 -0.434 0.000 1.013 486 E CA 0.378 56.679 56.400 -0.165 0.000 1.093 486 E CB -0.399 29.211 29.700 -0.151 0.000 1.129 486 E HN 0.278 nan 8.360 nan 0.000 0.450 487 A N 0.975 123.695 122.820 -0.168 0.000 2.832 487 A HA -0.214 4.106 4.320 0.001 0.000 0.280 487 A C -0.563 176.968 177.584 -0.088 0.000 1.464 487 A CA 1.080 52.997 52.037 -0.200 0.000 0.804 487 A CB -2.291 16.365 19.000 -0.574 0.000 1.020 487 A HN 0.448 nan 8.150 nan 0.000 0.563 488 H N -0.091 119.014 119.070 0.058 0.000 2.597 488 H HA 0.436 4.992 4.556 0.001 0.000 0.303 488 H C -2.602 172.502 175.328 -0.374 0.000 1.057 488 H CA -1.806 54.186 56.048 -0.094 0.000 1.261 488 H CB 0.970 30.684 29.762 -0.080 0.000 1.397 488 H HN 0.397 nan 8.280 nan 0.000 0.461 489 P HA 0.137 nan 4.420 nan 0.000 0.281 489 P C -0.747 176.577 177.300 0.040 0.000 1.252 489 P CA -0.165 62.700 63.100 -0.391 0.000 0.778 489 P CB 0.609 31.931 31.700 -0.631 0.000 0.895 490 F N -0.040 119.996 119.950 0.142 0.000 2.507 490 F HA 0.354 4.881 4.527 0.001 0.000 0.327 490 F C 1.049 176.911 175.800 0.103 0.000 1.068 490 F CA -1.355 56.740 58.000 0.160 0.000 0.965 490 F CB 1.057 40.106 39.000 0.081 0.000 1.192 490 F HN 0.155 nan 8.300 nan 0.000 0.476 491 S N 2.706 118.494 115.700 0.148 0.000 2.545 491 S HA 0.489 4.959 4.470 0.001 0.000 0.275 491 S C 0.185 174.721 174.600 -0.107 0.000 1.299 491 S CA -0.717 57.254 58.200 -0.381 0.000 1.048 491 S CB 0.314 63.316 63.200 -0.330 0.000 0.938 491 S HN 0.506 nan 8.310 nan 0.000 0.496 492 I N 0.658 121.074 120.570 -0.258 0.000 3.138 492 I HA 0.360 4.531 4.170 0.001 0.000 0.288 492 I C 0.717 176.537 176.117 -0.496 0.000 1.148 492 I CA -0.909 60.191 61.300 -0.332 0.000 1.315 492 I CB 0.425 38.237 38.000 -0.315 0.000 1.426 492 I HN 0.505 nan 8.210 nan 0.000 0.615 493 R N 2.198 122.143 120.500 -0.925 0.000 2.734 493 R HA 0.381 4.722 4.340 0.001 0.000 0.266 493 R C -0.700 175.413 176.300 -0.311 0.000 1.044 493 R CA 0.216 55.970 56.100 -0.576 0.000 1.128 493 R CB 0.533 30.455 30.300 -0.630 0.000 1.010 493 R HN 0.941 nan 8.270 nan 0.000 0.461 494 S N 0.000 115.585 115.700 -0.191 0.000 2.498 494 S HA 0.000 4.470 4.470 0.001 0.000 0.327 494 S CA 0.000 58.119 58.200 -0.136 0.000 1.107 494 S CB 0.000 63.123 63.200 -0.128 0.000 0.593 494 S HN 0.000 nan 8.310 nan 0.000 0.517