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 1u22_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASHIVGYPRX GPKRELKFAL ESFWDGKSTA EDLQKVSADL RSSIWKQXSA DATA SEQUENCE AGTKFIPSNT FAHYDQVLDT TAXLGAVPPR YGYTGGEIGL DVYFSXARGN DATA SEQUENCE ASVPAXEXTK WFDTNYHYIV PELGPEVNFS YASHKAVNEY KEAKALGVDT DATA SEQUENCE VPVLVGPVSY LLLSKAAKGV DKSFELLSLL PKILPIYKEV ITELKAAGAT DATA SEQUENCE WIQLDEPVLV XDLEGQKLQA FTGAYAELES TLSGLNVLVE TYFADIPAEA DATA SEQUENCE YKTLTSLKGV TAFGFDLVRG TKTLDLVKAG FPEGKYLFAG VVDGRNIWAN DATA SEQUENCE DFAASLSTLQ ALEGIVGKDK LVVSTSCSLL HTAVDLINET KLDDEIKSWX DATA SEQUENCE AFAAQKVVEV NALAKALAGQ KDEALFSANA AALASRRSSP RVTNEGVQKA DATA SEQUENCE AAALKGSDHR RATNVSARLD AQQKKLNLPI LPTTTIGSFP QTVELRXXXX DATA SEQUENCE XXXXXXXXXE DYVKAIKEEI KKVVDLQEEL DIDVLVHGEP ERNDXVEYFG DATA SEQUENCE EQLSGFAFTA NGWVQSYGSR CVKPPVIYGD VSRPKAXTVF WSAXAQSXTS DATA SEQUENCE RPXKGXLTGP VTILNWSFVR NDQPRHETCY QIALAIKDEV EDLEKGGIGV DATA SEQUENCE IQIDEAALRE GLPLRKSEHA FYLDWAVHSF RITNCGVQDS TQIHTHXCYS DATA SEQUENCE HFNDIIHSII DXDADVITIE NSRSDEKLLS VFREGVKYGA GIGPGVYDIH DATA SEQUENCE SPRIPSSEEI ADRVNKXLAV LEQNILWVNP DCGLKTRKYT EVKPALKNXV DATA SEQUENCE DAAKLIRSQ 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.571 177.584 -0.021 0.000 1.274 2 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 3 S N 1.105 116.800 115.700 -0.008 0.000 2.664 3 S HA 0.935 5.406 4.470 0.001 0.000 0.304 3 S C -0.597 174.133 174.600 0.217 0.000 1.099 3 S CA -0.565 57.671 58.200 0.059 0.000 1.003 3 S CB 1.635 64.846 63.200 0.019 0.000 1.092 3 S HN 1.503 nan 8.310 nan 0.000 0.525 4 H N -0.031 119.108 119.070 0.115 0.000 3.129 4 H HA 0.420 4.977 4.556 0.001 0.000 0.342 4 H C -2.391 173.044 175.328 0.178 0.000 1.092 4 H CA -0.614 55.564 56.048 0.216 0.000 1.310 4 H CB 0.893 30.851 29.762 0.327 0.000 1.932 4 H HN 0.506 nan 8.280 nan 0.000 0.507 5 I N 5.829 126.135 120.570 -0.440 0.000 2.339 5 I HA 0.036 4.206 4.170 0.001 0.000 0.290 5 I C 1.580 177.378 176.117 -0.532 0.000 0.994 5 I CA -0.347 60.761 61.300 -0.320 0.000 1.191 5 I CB 1.610 39.592 38.000 -0.029 0.000 1.343 5 I HN 0.561 nan 8.210 nan 0.000 0.458 6 V N 5.245 124.964 119.914 -0.325 0.000 2.970 6 V HA 0.446 4.566 4.120 0.001 0.000 0.260 6 V C 0.681 176.787 176.094 0.021 0.000 1.100 6 V CA 1.498 63.757 62.300 -0.069 0.000 1.122 6 V CB -0.571 31.336 31.823 0.139 0.000 0.721 6 V HN 0.820 nan 8.190 nan 0.000 0.483 7 G N -1.873 106.934 108.800 0.011 0.000 2.489 7 G HA2 0.489 4.449 3.960 0.001 0.000 0.291 7 G HA3 0.489 4.449 3.960 0.001 0.000 0.291 7 G C -2.400 172.549 174.900 0.082 0.000 1.487 7 G CA -0.473 44.652 45.100 0.041 0.000 0.795 7 G HN 0.203 nan 8.290 nan 0.000 0.513 8 Y N 0.288 120.551 120.300 -0.063 0.000 2.553 8 Y HA 0.645 5.195 4.550 0.001 0.000 0.347 8 Y C -2.275 173.567 175.900 -0.097 0.000 1.019 8 Y CA -1.805 56.255 58.100 -0.066 0.000 1.032 8 Y CB 2.832 41.267 38.460 -0.041 0.000 1.284 8 Y HN 0.464 nan 8.280 nan 0.000 0.466 9 P HA 0.178 nan 4.420 nan 0.000 0.268 9 P C -1.305 175.982 177.300 -0.021 0.000 1.208 9 P CA 0.141 63.105 63.100 -0.227 0.000 0.777 9 P CB 0.538 32.065 31.700 -0.287 0.000 0.875 13 P HA 0.120 nan 4.420 nan 0.000 0.220 13 P C 0.887 178.234 177.300 0.079 0.000 1.152 13 P CA 0.949 64.099 63.100 0.084 0.000 0.812 13 P CB 0.336 32.079 31.700 0.071 0.000 0.792 14 K N -0.596 119.836 120.400 0.054 0.000 2.726 14 K HA 0.260 4.581 4.320 0.001 0.000 0.209 14 K C -0.240 176.381 176.600 0.036 0.000 1.082 14 K CA -0.319 55.995 56.287 0.045 0.000 1.081 14 K CB 0.355 32.876 32.500 0.035 0.000 0.830 14 K HN 0.033 nan 8.250 nan 0.000 0.470 15 R N 0.729 121.228 120.500 -0.002 0.000 3.264 15 R HA -0.199 4.141 4.340 0.001 0.000 0.251 15 R C 0.209 176.522 176.300 0.022 0.000 0.971 15 R CA 0.436 56.497 56.100 -0.065 0.000 0.658 15 R CB -1.590 28.568 30.300 -0.236 0.000 1.095 15 R HN 0.249 nan 8.270 nan 0.000 0.443 16 E N 0.512 120.742 120.200 0.051 0.000 2.077 16 E HA -0.175 4.176 4.350 0.001 0.000 0.193 16 E C 1.746 178.371 176.600 0.041 0.000 0.989 16 E CA 1.409 57.858 56.400 0.081 0.000 0.800 16 E CB -0.008 29.721 29.700 0.049 0.000 0.746 16 E HN 0.399 nan 8.360 nan 0.000 0.452 17 L N 1.112 122.332 121.223 -0.005 0.000 2.275 17 L HA -0.098 4.242 4.340 0.001 0.000 0.215 17 L C 1.987 178.746 176.870 -0.184 0.000 1.119 17 L CA 1.588 56.407 54.840 -0.035 0.000 0.790 17 L CB -0.262 41.816 42.059 0.033 0.000 0.919 17 L HN -0.011 nan 8.230 nan 0.000 0.443 18 K N -0.810 119.414 120.400 -0.293 0.000 2.020 18 K HA -0.239 4.082 4.320 0.001 0.000 0.212 18 K C 1.872 178.052 176.600 -0.700 0.000 1.050 18 K CA 2.317 58.255 56.287 -0.581 0.000 0.929 18 K CB -0.358 31.611 32.500 -0.885 0.000 0.714 18 K HN 0.314 nan 8.250 nan 0.000 0.443 19 F N 0.392 120.210 119.950 -0.219 0.000 2.335 19 F HA 0.161 4.688 4.527 0.001 0.000 0.296 19 F C 2.403 178.063 175.800 -0.234 0.000 1.091 19 F CA 0.650 58.523 58.000 -0.213 0.000 1.399 19 F CB -0.504 38.402 39.000 -0.157 0.000 1.067 19 F HN 0.129 nan 8.300 nan 0.000 0.520 20 A N 0.412 123.193 122.820 -0.064 0.000 1.902 20 A HA -0.096 4.224 4.320 0.001 0.000 0.217 20 A C 2.241 179.653 177.584 -0.287 0.000 1.181 20 A CA 1.290 53.265 52.037 -0.104 0.000 0.623 20 A CB -0.988 17.982 19.000 -0.051 0.000 0.818 20 A HN 0.361 nan 8.150 nan 0.000 0.443 21 L N -0.720 120.221 121.223 -0.471 0.000 1.976 21 L HA -0.216 4.124 4.340 0.001 0.000 0.209 21 L C 2.723 178.584 176.870 -1.683 0.000 1.071 21 L CA 1.882 56.139 54.840 -0.972 0.000 0.746 21 L CB -0.683 40.846 42.059 -0.883 0.000 0.890 21 L HN 0.480 nan 8.230 nan 0.000 0.432 22 E N -0.548 118.915 120.200 -1.228 0.000 2.070 22 E HA -0.280 4.071 4.350 0.001 0.000 0.197 22 E C 2.230 178.578 176.600 -0.420 0.000 1.004 22 E CA 1.595 57.543 56.400 -0.752 0.000 0.805 22 E CB -0.244 29.272 29.700 -0.307 0.000 0.744 22 E HN 0.348 nan 8.360 nan 0.000 0.451 23 S N 0.504 116.033 115.700 -0.285 0.000 2.380 23 S HA -0.276 4.194 4.470 0.001 0.000 0.229 23 S C 1.809 176.356 174.600 -0.089 0.000 1.050 23 S CA 1.748 59.875 58.200 -0.121 0.000 1.100 23 S CB -0.485 62.678 63.200 -0.063 0.000 0.984 23 S HN 0.382 nan 8.310 nan 0.000 0.434 24 F N 1.574 121.351 119.950 -0.289 0.000 2.091 24 F HA -0.124 4.403 4.527 0.001 0.000 0.299 24 F C 1.853 177.648 175.800 -0.009 0.000 1.103 24 F CA 2.060 59.971 58.000 -0.149 0.000 1.228 24 F CB -0.655 38.249 39.000 -0.160 0.000 0.984 24 F HN 0.380 nan 8.300 nan 0.000 0.477 25 W N 1.057 122.268 121.300 -0.147 0.000 2.465 25 W HA -0.115 4.546 4.660 0.001 0.000 0.268 25 W C 2.070 178.464 176.519 -0.208 0.000 1.242 25 W CA 0.752 57.943 57.345 -0.255 0.000 1.248 25 W CB -1.494 27.855 29.460 -0.185 0.000 1.118 25 W HN 0.162 nan 8.180 nan 0.000 0.587 26 D N -0.766 119.651 120.400 0.028 0.000 2.123 26 D HA 0.001 4.642 4.640 0.001 0.000 0.200 26 D C 2.075 178.346 176.300 -0.050 0.000 0.976 26 D CA 2.242 56.242 54.000 0.000 0.000 0.831 26 D CB -0.285 40.510 40.800 -0.008 0.000 0.974 26 D HN 0.245 nan 8.370 nan 0.000 0.469 27 G N 0.761 109.498 108.800 -0.104 0.000 2.143 27 G HA2 -0.226 3.735 3.960 0.001 0.000 0.175 27 G HA3 -0.226 3.735 3.960 0.001 0.000 0.175 27 G C 0.393 175.256 174.900 -0.062 0.000 1.004 27 G CA -0.117 44.912 45.100 -0.118 0.000 0.671 27 G HN 0.310 nan 8.290 nan 0.000 0.512 28 K N 0.862 121.237 120.400 -0.041 0.000 2.832 28 K HA 0.506 4.826 4.320 0.001 0.000 0.211 28 K C 0.160 176.764 176.600 0.008 0.000 1.112 28 K CA 0.464 56.742 56.287 -0.014 0.000 1.108 28 K CB 0.639 33.131 32.500 -0.014 0.000 0.899 28 K HN 0.873 nan 8.250 nan 0.000 0.464 29 S N -1.380 114.338 115.700 0.030 0.000 2.714 29 S HA 0.172 4.643 4.470 0.001 0.000 0.284 29 S C -0.419 174.296 174.600 0.192 0.000 1.019 29 S CA -1.150 57.103 58.200 0.089 0.000 0.856 29 S CB 1.002 64.255 63.200 0.088 0.000 1.075 29 S HN 0.173 nan 8.310 nan 0.000 0.455 30 T N -1.072 113.619 114.554 0.229 0.000 2.841 30 T HA 0.884 5.234 4.350 0.001 0.000 0.276 30 T C 1.621 176.509 174.700 0.314 0.000 1.003 30 T CA -0.368 61.946 62.100 0.355 0.000 0.995 30 T CB 0.784 69.778 68.868 0.210 0.000 1.260 30 T HN 1.656 nan 8.240 nan 0.000 0.581 31 A N 0.752 123.725 122.820 0.256 0.000 1.848 31 A HA -0.150 4.170 4.320 0.001 0.000 0.217 31 A C 2.224 179.820 177.584 0.020 0.000 1.220 31 A CA 2.025 54.070 52.037 0.012 0.000 0.645 31 A CB -1.488 17.541 19.000 0.048 0.000 0.842 31 A HN 0.929 nan 8.150 nan 0.000 0.451 32 E N 0.318 120.548 120.200 0.050 0.000 2.172 32 E HA -0.279 4.071 4.350 0.001 0.000 0.213 32 E C 1.669 178.286 176.600 0.027 0.000 1.051 32 E CA 1.934 58.355 56.400 0.035 0.000 0.860 32 E CB -0.628 29.097 29.700 0.041 0.000 0.755 32 E HN 0.741 nan 8.360 nan 0.000 0.462 33 D N 0.380 120.805 120.400 0.042 0.000 2.097 33 D HA -0.130 4.510 4.640 0.001 0.000 0.197 33 D C 2.278 178.589 176.300 0.019 0.000 0.984 33 D CA 0.385 54.405 54.000 0.033 0.000 0.826 33 D CB -0.646 40.183 40.800 0.049 0.000 0.973 33 D HN 0.183 nan 8.370 nan 0.000 0.460 34 L N 0.625 121.854 121.223 0.009 0.000 2.017 34 L HA -0.197 4.144 4.340 0.001 0.000 0.208 34 L C 2.405 179.281 176.870 0.010 0.000 1.073 34 L CA 1.277 56.102 54.840 -0.025 0.000 0.745 34 L CB -0.095 41.880 42.059 -0.139 0.000 0.894 34 L HN -0.052 nan 8.230 nan 0.000 0.432 35 Q N -0.059 119.747 119.800 0.011 0.000 2.124 35 Q HA -0.276 4.064 4.340 0.001 0.000 0.202 35 Q C 2.076 178.077 176.000 0.002 0.000 0.977 35 Q CA 1.540 57.362 55.803 0.033 0.000 0.850 35 Q CB -0.276 28.472 28.738 0.016 0.000 0.901 35 Q HN 0.324 nan 8.270 nan 0.000 0.429 36 K N 0.775 121.174 120.400 -0.001 0.000 2.032 36 K HA -0.107 4.213 4.320 0.001 0.000 0.209 36 K C 1.995 178.583 176.600 -0.020 0.000 1.048 36 K CA 1.166 57.446 56.287 -0.012 0.000 0.927 36 K CB -0.402 32.096 32.500 -0.003 0.000 0.712 36 K HN 0.020 nan 8.250 nan 0.000 0.441 37 V N 0.379 120.290 119.914 -0.005 0.000 2.237 37 V HA -0.247 3.873 4.120 0.001 0.000 0.245 37 V C 2.172 178.257 176.094 -0.015 0.000 1.046 37 V CA 2.141 64.440 62.300 -0.001 0.000 1.007 37 V CB -0.831 31.003 31.823 0.018 0.000 0.638 37 V HN 0.346 nan 8.190 nan 0.000 0.445 38 S N 0.725 116.437 115.700 0.020 0.000 2.368 38 S HA -0.307 4.163 4.470 0.001 0.000 0.226 38 S C 2.210 176.596 174.600 -0.356 0.000 1.044 38 S CA 1.857 60.017 58.200 -0.065 0.000 1.062 38 S CB -0.779 62.494 63.200 0.123 0.000 0.931 38 S HN 0.680 nan 8.310 nan 0.000 0.440 39 A N 1.754 124.423 122.820 -0.252 0.000 1.933 39 A HA -0.178 4.142 4.320 0.001 0.000 0.218 39 A C 1.897 179.363 177.584 -0.196 0.000 1.175 39 A CA 1.718 53.610 52.037 -0.241 0.000 0.628 39 A CB -0.655 18.272 19.000 -0.122 0.000 0.814 39 A HN 0.391 nan 8.150 nan 0.000 0.444 40 D N -0.523 119.797 120.400 -0.134 0.000 2.097 40 D HA -0.110 4.530 4.640 0.001 0.000 0.197 40 D C 1.866 178.088 176.300 -0.131 0.000 0.984 40 D CA 1.129 55.070 54.000 -0.099 0.000 0.826 40 D CB -0.302 40.463 40.800 -0.058 0.000 0.973 40 D HN 0.300 nan 8.370 nan 0.000 0.460 41 L N 1.077 122.216 121.223 -0.141 0.000 2.046 41 L HA -0.105 4.235 4.340 0.001 0.000 0.208 41 L C 2.416 179.124 176.870 -0.270 0.000 1.077 41 L CA 1.466 56.227 54.840 -0.132 0.000 0.747 41 L CB -0.401 41.637 42.059 -0.036 0.000 0.896 41 L HN -0.142 nan 8.230 nan 0.000 0.432 42 R N -1.235 118.990 120.500 -0.459 0.000 2.094 42 R HA -0.208 4.132 4.340 0.001 0.000 0.239 42 R C 2.623 178.439 176.300 -0.807 0.000 1.137 42 R CA 1.812 57.413 56.100 -0.833 0.000 0.943 42 R CB -0.597 29.113 30.300 -0.984 0.000 0.850 42 R HN 0.493 nan 8.270 nan 0.000 0.433 43 S N -0.559 114.924 115.700 -0.361 0.000 2.359 43 S HA -0.223 4.247 4.470 0.001 0.000 0.222 43 S C 2.051 176.605 174.600 -0.078 0.000 1.038 43 S CA 2.053 60.218 58.200 -0.058 0.000 1.051 43 S CB -0.577 62.619 63.200 -0.006 0.000 0.944 43 S HN 0.453 nan 8.310 nan 0.000 0.433 44 S N 0.346 115.973 115.700 -0.121 0.000 2.402 44 S HA -0.099 4.372 4.470 0.001 0.000 0.233 44 S C 1.820 176.338 174.600 -0.137 0.000 1.030 44 S CA 1.425 59.566 58.200 -0.097 0.000 1.003 44 S CB -0.547 62.604 63.200 -0.083 0.000 0.813 44 S HN 0.534 nan 8.310 nan 0.000 0.477 45 I N 0.289 120.706 120.570 -0.255 0.000 2.235 45 I HA -0.036 4.135 4.170 0.001 0.000 0.241 45 I C 2.227 178.184 176.117 -0.267 0.000 1.085 45 I CA 0.749 61.828 61.300 -0.369 0.000 1.378 45 I CB -1.683 36.004 38.000 -0.522 0.000 1.076 45 I HN 0.454 nan 8.210 nan 0.000 0.415 46 W N 1.974 123.173 121.300 -0.169 0.000 2.335 46 W HA -0.175 4.485 4.660 0.001 0.000 0.311 46 W C 2.526 178.965 176.519 -0.134 0.000 1.213 46 W CA 0.761 58.017 57.345 -0.148 0.000 1.274 46 W CB -1.105 28.281 29.460 -0.123 0.000 1.148 46 W HN 0.169 nan 8.180 nan 0.000 0.498 47 K N 0.383 120.857 120.400 0.124 0.000 2.020 47 K HA -0.188 4.133 4.320 0.001 0.000 0.212 47 K C 1.341 177.937 176.600 -0.007 0.000 1.050 47 K CA 1.097 57.408 56.287 0.039 0.000 0.929 47 K CB -1.020 31.491 32.500 0.018 0.000 0.714 47 K HN 0.321 nan 8.250 nan 0.000 0.443 51 A N 1.916 124.722 122.820 -0.024 0.000 2.139 51 A HA 0.433 4.754 4.320 0.001 0.000 0.221 51 A C 2.076 179.651 177.584 -0.015 0.000 1.159 51 A CA 1.956 53.981 52.037 -0.020 0.000 0.662 51 A CB -1.059 17.932 19.000 -0.016 0.000 0.796 51 A HN 1.435 nan 8.150 nan 0.000 0.463 52 A N -2.528 120.282 122.820 -0.015 0.000 2.238 52 A HA 0.446 4.766 4.320 0.001 0.000 0.210 52 A C 1.746 179.325 177.584 -0.010 0.000 1.179 52 A CA 1.130 53.164 52.037 -0.006 0.000 0.827 52 A CB -0.434 18.566 19.000 0.000 0.000 0.856 52 A HN 1.786 nan 8.150 nan 0.000 0.488 53 G N -1.560 107.225 108.800 -0.024 0.000 2.184 53 G HA2 -0.202 3.759 3.960 0.001 0.000 0.206 53 G HA3 -0.202 3.759 3.960 0.001 0.000 0.206 53 G C 0.356 175.223 174.900 -0.054 0.000 0.995 53 G CA 0.079 45.157 45.100 -0.036 0.000 0.651 53 G HN 0.588 nan 8.290 nan 0.000 0.511 54 T N 1.794 116.322 114.554 -0.043 0.000 2.704 54 T HA 0.202 4.553 4.350 0.001 0.000 0.271 54 T C 1.515 176.153 174.700 -0.104 0.000 1.000 54 T CA 1.160 63.234 62.100 -0.044 0.000 1.216 54 T CB 1.332 70.189 68.868 -0.018 0.000 0.961 54 T HN 0.441 nan 8.240 nan 0.000 0.515 55 K N 3.063 123.366 120.400 -0.162 0.000 2.007 55 K HA 0.057 4.377 4.320 0.001 0.000 0.206 55 K C 0.008 176.260 176.600 -0.582 0.000 1.047 55 K CA 1.174 57.217 56.287 -0.406 0.000 0.937 55 K CB 0.029 32.220 32.500 -0.514 0.000 0.718 55 K HN 0.547 nan 8.250 nan 0.000 0.438 56 F N 1.405 121.316 119.950 -0.066 0.000 2.293 56 F HA 0.401 4.928 4.527 0.001 0.000 0.370 56 F C -0.318 175.513 175.800 0.052 0.000 1.090 56 F CA -0.758 57.230 58.000 -0.021 0.000 1.133 56 F CB 0.606 39.652 39.000 0.077 0.000 1.360 56 F HN -0.169 nan 8.300 nan 0.000 0.489 57 I N 6.371 127.020 120.570 0.131 0.000 2.315 57 I HA 0.293 4.463 4.170 0.001 0.000 0.291 57 I C -2.160 174.062 176.117 0.176 0.000 1.006 57 I CA -2.091 59.279 61.300 0.118 0.000 1.265 57 I CB 1.564 39.597 38.000 0.055 0.000 1.387 57 I HN 0.252 nan 8.210 nan 0.000 0.475 58 P HA 0.161 nan 4.420 nan 0.000 0.282 58 P C -0.901 176.618 177.300 0.365 0.000 1.249 58 P CA -0.312 62.938 63.100 0.250 0.000 0.806 58 P CB 1.624 33.446 31.700 0.204 0.000 0.984 59 S N 1.263 117.168 115.700 0.341 0.000 2.568 59 S HA 0.499 4.970 4.470 0.001 0.000 0.293 59 S C 0.239 175.043 174.600 0.341 0.000 1.089 59 S CA -0.383 58.102 58.200 0.475 0.000 0.945 59 S CB 1.071 64.432 63.200 0.268 0.000 1.077 59 S HN 0.546 nan 8.310 nan 0.000 0.485 60 N N -0.264 118.648 118.700 0.352 0.000 3.003 60 N HA -0.169 4.571 4.740 0.001 0.000 0.237 60 N C 0.711 176.339 175.510 0.196 0.000 0.969 60 N CA 1.703 54.899 53.050 0.244 0.000 0.941 60 N CB -1.857 36.741 38.487 0.184 0.000 1.098 60 N HN 0.888 nan 8.380 nan 0.000 0.563 61 T N -3.197 111.482 114.554 0.207 0.000 3.054 61 T HA 0.111 4.461 4.350 0.001 0.000 0.259 61 T C 0.782 175.541 174.700 0.098 0.000 1.092 61 T CA 0.253 62.431 62.100 0.129 0.000 1.121 61 T CB -0.226 68.719 68.868 0.128 0.000 0.912 61 T HN 0.328 nan 8.240 nan 0.000 0.489 62 F N 3.139 123.088 119.950 -0.000 0.000 2.518 62 F HA 0.485 5.013 4.527 0.001 0.000 0.359 62 F C 0.052 175.838 175.800 -0.023 0.000 1.118 62 F CA -0.963 57.012 58.000 -0.042 0.000 1.287 62 F CB 0.136 39.067 39.000 -0.115 0.000 1.132 62 F HN 0.307 nan 8.300 nan 0.000 0.587 63 A N 4.626 126.905 122.820 -0.902 0.000 2.549 63 A HA 0.317 4.637 4.320 0.001 0.000 0.297 63 A C -0.354 176.877 177.584 -0.589 0.000 1.061 63 A CA -0.620 51.117 52.037 -0.501 0.000 0.690 63 A CB 0.629 19.562 19.000 -0.111 0.000 1.287 63 A HN 0.987 nan 8.150 nan 0.000 0.402 64 H N -0.497 118.492 119.070 -0.136 0.000 2.555 64 H HA 0.100 4.656 4.556 0.001 0.000 0.269 64 H C 0.493 176.154 175.328 0.555 0.000 0.988 64 H CA 1.937 58.103 56.048 0.198 0.000 1.178 64 H CB 0.375 30.324 29.762 0.311 0.000 1.373 64 H HN 0.754 nan 8.280 nan 0.000 0.588 65 Y N -1.490 119.059 120.300 0.414 0.000 3.004 65 Y HA 0.066 4.616 4.550 0.001 0.000 0.236 65 Y C -1.094 174.960 175.900 0.256 0.000 1.097 65 Y CA -0.222 58.083 58.100 0.342 0.000 1.351 65 Y CB 1.175 39.838 38.460 0.339 0.000 1.406 65 Y HN 0.045 nan 8.280 nan 0.000 0.460 66 D N -0.895 119.797 120.400 0.488 0.000 2.583 66 D HA 0.202 4.842 4.640 0.001 0.000 0.248 66 D C 0.263 176.731 176.300 0.280 0.000 1.209 66 D CA -0.135 54.095 54.000 0.384 0.000 0.848 66 D CB 1.330 42.391 40.800 0.435 0.000 1.431 66 D HN 0.153 nan 8.370 nan 0.000 0.436 67 Q N 0.918 120.824 119.800 0.177 0.000 2.165 67 Q HA 0.025 4.366 4.340 0.001 0.000 0.197 67 Q C 1.519 177.631 176.000 0.187 0.000 0.952 67 Q CA 0.996 56.869 55.803 0.117 0.000 0.848 67 Q CB -0.401 28.340 28.738 0.004 0.000 0.931 67 Q HN 0.319 nan 8.270 nan 0.000 0.470 68 V N 1.811 121.865 119.914 0.234 0.000 2.759 68 V HA -0.167 3.953 4.120 0.001 0.000 0.256 68 V C 2.288 178.609 176.094 0.378 0.000 1.080 68 V CA 1.119 63.631 62.300 0.353 0.000 1.101 68 V CB -0.554 31.517 31.823 0.414 0.000 0.698 68 V HN 0.269 nan 8.190 nan 0.000 0.477 69 L N -0.575 120.843 121.223 0.324 0.000 2.127 69 L HA -0.053 4.287 4.340 0.001 0.000 0.203 69 L C 2.257 179.320 176.870 0.321 0.000 1.080 69 L CA 1.299 56.310 54.840 0.285 0.000 0.768 69 L CB -0.262 41.917 42.059 0.200 0.000 0.924 69 L HN 0.287 nan 8.230 nan 0.000 0.444 70 D N -0.750 119.836 120.400 0.311 0.000 2.158 70 D HA -0.236 4.404 4.640 0.001 0.000 0.197 70 D C 2.003 178.351 176.300 0.080 0.000 0.995 70 D CA 1.908 56.012 54.000 0.173 0.000 0.846 70 D CB -0.061 40.803 40.800 0.106 0.000 0.941 70 D HN 0.260 nan 8.370 nan 0.000 0.456 71 T N -1.439 113.167 114.554 0.087 0.000 3.014 71 T HA -0.043 4.307 4.350 0.001 0.000 0.263 71 T C 1.812 176.461 174.700 -0.085 0.000 1.078 71 T CA 1.345 63.409 62.100 -0.060 0.000 1.135 71 T CB -0.209 68.612 68.868 -0.077 0.000 0.895 71 T HN -0.011 nan 8.240 nan 0.000 0.480 72 T N 2.071 116.699 114.554 0.123 0.000 2.867 72 T HA 0.302 4.652 4.350 0.001 0.000 0.268 72 T C 1.104 175.851 174.700 0.078 0.000 1.057 72 T CA 0.827 63.038 62.100 0.186 0.000 1.136 72 T CB -0.410 68.610 68.868 0.253 0.000 0.874 72 T HN 0.597 nan 8.240 nan 0.000 0.466 76 G N 1.483 110.333 108.800 0.084 0.000 2.233 76 G HA2 -0.313 3.648 3.960 0.001 0.000 0.270 76 G HA3 -0.313 3.648 3.960 0.001 0.000 0.270 76 G C 0.576 175.517 174.900 0.068 0.000 1.011 76 G CA 0.581 45.724 45.100 0.072 0.000 0.762 76 G HN 0.632 nan 8.290 nan 0.000 0.511 77 A N -0.192 122.694 122.820 0.110 0.000 3.074 77 A HA 0.582 4.902 4.320 0.001 0.000 0.251 77 A C 0.770 178.387 177.584 0.054 0.000 1.695 77 A CA 0.538 52.631 52.037 0.094 0.000 1.343 77 A CB 0.108 19.301 19.000 0.322 0.000 1.078 77 A HN 1.444 nan 8.150 nan 0.000 0.644 78 V N 1.700 121.614 119.914 -0.000 0.000 2.509 78 V HA 0.429 4.550 4.120 0.001 0.000 0.284 78 V C -2.342 173.822 176.094 0.116 0.000 1.047 78 V CA -2.086 60.214 62.300 -0.000 0.000 0.952 78 V CB 1.361 33.094 31.823 -0.149 0.000 0.988 78 V HN 0.537 nan 8.190 nan 0.000 0.469 79 P HA 0.277 nan 4.420 nan 0.000 0.269 79 P C -2.199 175.230 177.300 0.214 0.000 1.209 79 P CA -1.060 62.179 63.100 0.232 0.000 0.776 79 P CB 0.179 32.075 31.700 0.326 0.000 0.876 80 P HA -0.217 nan 4.420 nan 0.000 0.214 80 P C 1.223 178.522 177.300 -0.001 0.000 1.169 80 P CA 1.654 64.776 63.100 0.037 0.000 0.908 80 P CB -0.226 31.468 31.700 -0.009 0.000 0.791 81 R N -1.792 118.633 120.500 -0.125 0.000 2.417 81 R HA -0.161 4.179 4.340 0.001 0.000 0.220 81 R C 1.122 177.257 176.300 -0.274 0.000 1.128 81 R CA 1.424 57.383 56.100 -0.235 0.000 1.048 81 R CB -1.276 28.808 30.300 -0.360 0.000 0.835 81 R HN 0.265 nan 8.270 nan 0.000 0.483 82 Y N 0.451 120.766 120.300 0.024 0.000 2.497 82 Y HA 0.290 4.840 4.550 0.001 0.000 0.265 82 Y C 1.581 177.521 175.900 0.067 0.000 1.111 82 Y CA 0.246 58.368 58.100 0.037 0.000 1.288 82 Y CB 0.436 38.915 38.460 0.032 0.000 1.082 82 Y HN 0.321 nan 8.280 nan 0.000 0.536 83 G N 0.500 109.417 108.800 0.195 0.000 2.298 83 G HA2 -0.353 3.608 3.960 0.001 0.000 0.287 83 G HA3 -0.353 3.608 3.960 0.001 0.000 0.287 83 G C -0.395 174.622 174.900 0.196 0.000 1.075 83 G CA 0.008 45.196 45.100 0.148 0.000 0.960 83 G HN 0.371 nan 8.290 nan 0.000 0.502 84 Y N 1.055 121.408 120.300 0.087 0.000 2.304 84 Y HA 0.500 5.050 4.550 0.001 0.000 0.328 84 Y C 1.599 177.527 175.900 0.046 0.000 1.123 84 Y CA 0.237 58.377 58.100 0.067 0.000 1.218 84 Y CB 1.350 39.850 38.460 0.067 0.000 1.207 84 Y HN 0.347 nan 8.280 nan 0.000 0.495 85 T N 1.175 115.453 114.554 -0.460 0.000 2.990 85 T HA 0.597 4.948 4.350 0.001 0.000 0.250 85 T C 0.636 174.937 174.700 -0.664 0.000 1.041 85 T CA 0.248 62.100 62.100 -0.413 0.000 1.010 85 T CB -0.177 68.576 68.868 -0.192 0.000 1.003 85 T HN 1.300 nan 8.240 nan 0.000 0.499 86 G N -0.821 107.179 108.800 -1.334 0.000 2.340 86 G HA2 0.493 4.453 3.960 0.001 0.000 0.527 86 G HA3 0.493 4.453 3.960 0.001 0.000 0.527 86 G C -0.076 174.648 174.900 -0.293 0.000 1.381 86 G CA -0.276 44.316 45.100 -0.847 0.000 1.001 86 G HN 1.643 nan 8.290 nan 0.000 0.626 87 G N -0.679 108.147 108.800 0.044 0.000 2.610 87 G HA2 0.412 4.373 3.960 0.001 0.000 0.304 87 G HA3 0.412 4.373 3.960 0.001 0.000 0.304 87 G C -0.200 174.849 174.900 0.247 0.000 1.309 87 G CA 0.860 46.034 45.100 0.124 0.000 0.906 87 G HN 2.014 nan 8.290 nan 0.000 0.521 88 E N 0.037 120.327 120.200 0.149 0.000 2.220 88 E HA 0.412 4.763 4.350 0.001 0.000 0.272 88 E C 0.956 177.640 176.600 0.141 0.000 1.099 88 E CA -0.305 56.174 56.400 0.132 0.000 0.907 88 E CB 0.014 29.732 29.700 0.031 0.000 1.022 88 E HN 0.492 nan 8.360 nan 0.000 0.428 89 I N 4.968 125.607 120.570 0.116 0.000 2.578 89 I HA 0.135 4.305 4.170 0.001 0.000 0.286 89 I C 1.009 177.131 176.117 0.008 0.000 1.126 89 I CA 0.315 61.632 61.300 0.028 0.000 1.380 89 I CB 0.250 38.183 38.000 -0.112 0.000 1.408 89 I HN 0.550 nan 8.210 nan 0.000 0.532 90 G N 5.306 114.128 108.800 0.035 0.000 2.601 90 G HA2 0.456 4.416 3.960 0.001 0.000 0.317 90 G HA3 0.456 4.416 3.960 0.001 0.000 0.317 90 G C 0.822 175.737 174.900 0.025 0.000 1.246 90 G CA -0.757 44.353 45.100 0.017 0.000 1.012 90 G HN 0.615 nan 8.290 nan 0.000 0.494 91 L N -0.203 121.022 121.223 0.004 0.000 2.230 91 L HA -0.220 4.120 4.340 0.001 0.000 0.217 91 L C 2.243 179.228 176.870 0.192 0.000 1.090 91 L CA 1.339 56.182 54.840 0.004 0.000 0.771 91 L CB -0.311 41.742 42.059 -0.009 0.000 0.892 91 L HN 0.516 nan 8.230 nan 0.000 0.438 92 D N -0.165 120.353 120.400 0.198 0.000 2.088 92 D HA -0.142 4.498 4.640 0.001 0.000 0.196 92 D C 2.209 178.591 176.300 0.137 0.000 0.983 92 D CA 1.706 55.834 54.000 0.214 0.000 0.846 92 D CB -0.240 40.664 40.800 0.173 0.000 0.992 92 D HN 0.166 nan 8.370 nan 0.000 0.448 93 V N 0.792 120.753 119.914 0.079 0.000 2.392 93 V HA -0.259 3.861 4.120 0.001 0.000 0.249 93 V C 2.253 178.283 176.094 -0.107 0.000 1.059 93 V CA 1.370 63.656 62.300 -0.023 0.000 1.051 93 V CB -0.767 31.029 31.823 -0.046 0.000 0.658 93 V HN 0.173 nan 8.190 nan 0.000 0.455 94 Y N 0.496 120.685 120.300 -0.186 0.000 2.089 94 Y HA -0.206 4.345 4.550 0.001 0.000 0.282 94 Y C 2.211 177.972 175.900 -0.231 0.000 1.139 94 Y CA 1.635 59.579 58.100 -0.259 0.000 1.123 94 Y CB -0.523 37.732 38.460 -0.341 0.000 0.980 94 Y HN 0.224 nan 8.280 nan 0.000 0.493 95 F N 0.066 119.983 119.950 -0.055 0.000 2.546 95 F HA -0.014 4.513 4.527 0.001 0.000 0.298 95 F C 1.959 177.561 175.800 -0.331 0.000 1.120 95 F CA 0.744 58.604 58.000 -0.234 0.000 1.456 95 F CB -1.205 37.820 39.000 0.042 0.000 1.088 95 F HN -0.049 nan 8.300 nan 0.000 0.572 99 R N 0.532 120.719 120.500 -0.521 0.000 2.629 99 R HA 0.491 4.831 4.340 0.001 0.000 0.408 99 R C 0.773 176.949 176.300 -0.207 0.000 1.057 99 R CA 0.504 56.387 56.100 -0.361 0.000 1.119 99 R CB 0.124 30.096 30.300 -0.547 0.000 1.403 99 R HN 1.817 nan 8.270 nan 0.000 0.576 100 G N 2.166 110.898 108.800 -0.114 0.000 2.992 100 G HA2 -0.380 3.581 3.960 0.001 0.000 0.340 100 G HA3 -0.380 3.581 3.960 0.001 0.000 0.340 100 G C -0.729 174.153 174.900 -0.030 0.000 1.539 100 G CA 0.080 45.179 45.100 -0.002 0.000 0.997 100 G HN 0.722 nan 8.290 nan 0.000 0.561 101 N N -1.172 117.537 118.700 0.015 0.000 3.100 101 N HA 0.743 5.484 4.740 0.001 0.000 0.344 101 N C 0.660 176.165 175.510 -0.007 0.000 1.413 101 N CA -0.062 52.988 53.050 0.001 0.000 0.752 101 N CB 0.877 39.385 38.487 0.034 0.000 1.519 101 N HN 1.372 nan 8.380 nan 0.000 0.620 102 A N -1.102 121.714 122.820 -0.006 0.000 2.648 102 A HA 0.378 4.698 4.320 0.001 0.000 0.269 102 A C 0.441 178.020 177.584 -0.007 0.000 1.392 102 A CA 0.369 52.401 52.037 -0.009 0.000 1.019 102 A CB -1.455 17.541 19.000 -0.008 0.000 1.009 102 A HN 0.761 nan 8.150 nan 0.000 0.565 103 S N -3.247 112.448 115.700 -0.008 0.000 2.290 103 S HA 0.242 4.713 4.470 0.001 0.000 0.266 103 S C -0.158 174.422 174.600 -0.032 0.000 0.995 103 S CA 0.356 58.547 58.200 -0.015 0.000 1.482 103 S CB 0.000 63.197 63.200 -0.006 0.000 1.176 103 S HN 0.319 nan 8.310 nan 0.000 0.599 104 V N 3.688 123.581 119.914 -0.035 0.000 2.925 104 V HA 0.690 4.810 4.120 0.001 0.000 0.311 104 V C -2.624 173.434 176.094 -0.059 0.000 1.104 104 V CA -1.919 60.332 62.300 -0.082 0.000 0.954 104 V CB 2.448 34.192 31.823 -0.133 0.000 1.022 104 V HN 0.217 nan 8.190 nan 0.000 0.427 105 P HA 0.514 nan 4.420 nan 0.000 0.278 105 P C -0.714 176.590 177.300 0.005 0.000 1.258 105 P CA -0.240 62.831 63.100 -0.049 0.000 0.811 105 P CB 1.615 33.276 31.700 -0.064 0.000 1.063 111 K N 1.413 121.804 120.400 -0.015 0.000 2.295 111 K HA 0.272 4.593 4.320 0.001 0.000 0.270 111 K C -0.467 176.275 176.600 0.237 0.000 1.011 111 K CA -0.420 55.807 56.287 -0.100 0.000 0.953 111 K CB 0.340 32.755 32.500 -0.141 0.000 0.956 111 K HN 0.532 nan 8.250 nan 0.000 0.477 112 W N 6.159 127.527 121.300 0.114 0.000 2.433 112 W HA 0.083 4.743 4.660 0.001 0.000 0.331 112 W C -0.549 176.131 176.519 0.268 0.000 1.110 112 W CA -0.602 56.976 57.345 0.389 0.000 1.450 112 W CB -0.210 29.626 29.460 0.627 0.000 1.348 112 W HN 0.582 nan 8.180 nan 0.000 0.415 113 F N 1.391 121.184 119.950 -0.260 0.000 3.078 113 F HA -0.444 4.083 4.527 0.001 0.000 0.250 113 F C 1.733 177.388 175.800 -0.243 0.000 1.463 113 F CA 2.538 60.349 58.000 -0.314 0.000 1.788 113 F CB -0.936 37.810 39.000 -0.422 0.000 0.886 113 F HN 0.435 nan 8.300 nan 0.000 0.305 114 D N 0.282 120.609 120.400 -0.121 0.000 2.615 114 D HA 0.198 4.838 4.640 0.001 0.000 0.236 114 D C 0.271 176.433 176.300 -0.230 0.000 1.233 114 D CA 0.735 54.637 54.000 -0.163 0.000 0.829 114 D CB -0.747 39.974 40.800 -0.131 0.000 1.024 114 D HN 0.644 nan 8.370 nan 0.000 0.490 115 T N -3.007 111.405 114.554 -0.236 0.000 2.897 115 T HA 0.297 4.647 4.350 0.001 0.000 0.278 115 T C 0.633 175.330 174.700 -0.005 0.000 0.981 115 T CA -0.768 61.227 62.100 -0.176 0.000 0.973 115 T CB 1.170 69.919 68.868 -0.198 0.000 1.092 115 T HN -0.021 nan 8.240 nan 0.000 0.543 116 N N -0.478 118.276 118.700 0.090 0.000 2.313 116 N HA 0.138 4.878 4.740 0.001 0.000 0.207 116 N C -1.105 174.540 175.510 0.226 0.000 1.141 116 N CA -0.225 52.912 53.050 0.145 0.000 0.830 116 N CB 0.092 38.669 38.487 0.150 0.000 1.008 116 N HN 0.519 nan 8.380 nan 0.000 0.481 117 Y N 0.411 120.771 120.300 0.100 0.000 2.420 117 Y HA 0.302 4.853 4.550 0.001 0.000 0.334 117 Y C -0.857 175.069 175.900 0.044 0.000 1.094 117 Y CA -0.745 57.488 58.100 0.222 0.000 1.126 117 Y CB 0.650 39.334 38.460 0.374 0.000 1.217 117 Y HN 0.069 nan 8.280 nan 0.000 0.462 118 H N 4.543 123.279 119.070 -0.557 0.000 2.538 118 H HA 0.353 4.910 4.556 0.001 0.000 0.353 118 H C -1.266 173.799 175.328 -0.438 0.000 1.109 118 H CA -0.698 55.173 56.048 -0.296 0.000 1.192 118 H CB 0.997 30.614 29.762 -0.242 0.000 1.555 118 H HN 0.634 nan 8.280 nan 0.000 0.518 119 Y N 0.144 120.442 120.300 -0.003 0.000 2.602 119 Y HA 0.583 5.133 4.550 0.001 0.000 0.330 119 Y C -0.830 175.155 175.900 0.142 0.000 1.114 119 Y CA -1.520 56.640 58.100 0.100 0.000 1.182 119 Y CB 1.018 39.656 38.460 0.296 0.000 1.305 119 Y HN 0.348 nan 8.280 nan 0.000 0.502 120 I N 4.634 125.364 120.570 0.267 0.000 2.282 120 I HA 0.129 4.299 4.170 0.001 0.000 0.290 120 I C 0.236 176.453 176.117 0.166 0.000 1.090 120 I CA -0.670 60.697 61.300 0.112 0.000 1.231 120 I CB 0.277 38.359 38.000 0.136 0.000 1.434 120 I HN 0.676 nan 8.210 nan 0.000 0.487 121 V N 8.533 128.381 119.914 -0.110 0.000 2.584 121 V HA 0.125 4.245 4.120 0.001 0.000 0.303 121 V C -2.234 173.933 176.094 0.121 0.000 1.035 121 V CA -0.596 61.729 62.300 0.043 0.000 1.172 121 V CB -0.093 31.652 31.823 -0.130 0.000 0.896 121 V HN 0.467 nan 8.190 nan 0.000 0.486 122 P HA 0.382 nan 4.420 nan 0.000 0.276 122 P C -0.949 176.409 177.300 0.095 0.000 1.244 122 P CA -0.259 62.923 63.100 0.137 0.000 0.801 122 P CB 0.489 32.259 31.700 0.117 0.000 1.006 123 E N 1.408 121.674 120.200 0.110 0.000 2.101 123 E HA 0.345 4.695 4.350 0.001 0.000 0.260 123 E C -0.571 176.089 176.600 0.099 0.000 0.897 123 E CA -0.308 56.143 56.400 0.085 0.000 0.744 123 E CB 0.424 30.166 29.700 0.071 0.000 1.140 123 E HN 0.302 nan 8.360 nan 0.000 0.419 124 L N 1.460 122.755 121.223 0.119 0.000 2.313 124 L HA 0.879 5.219 4.340 0.001 0.000 0.268 124 L C 0.557 177.478 176.870 0.086 0.000 1.010 124 L CA -0.946 53.990 54.840 0.159 0.000 0.814 124 L CB 1.862 44.091 42.059 0.284 0.000 1.304 124 L HN 0.596 nan 8.230 nan 0.000 0.441 125 G N -0.259 108.547 108.800 0.011 0.000 2.451 125 G HA2 0.346 4.306 3.960 0.001 0.000 0.292 125 G HA3 0.346 4.306 3.960 0.001 0.000 0.292 125 G C -2.858 171.839 174.900 -0.338 0.000 1.427 125 G CA -0.469 44.432 45.100 -0.332 0.000 0.792 125 G HN 0.297 nan 8.290 nan 0.000 0.498 126 P HA 0.107 nan 4.420 nan 0.000 0.234 126 P C 0.758 177.993 177.300 -0.108 0.000 1.167 126 P CA 1.014 63.962 63.100 -0.254 0.000 0.763 126 P CB 0.299 31.817 31.700 -0.303 0.000 0.835 127 E N -1.461 118.654 120.200 -0.142 0.000 2.538 127 E HA 0.093 4.444 4.350 0.001 0.000 0.207 127 E C 0.119 176.646 176.600 -0.122 0.000 1.002 127 E CA -0.230 56.111 56.400 -0.100 0.000 0.952 127 E CB 0.472 30.117 29.700 -0.092 0.000 1.031 127 E HN -0.002 nan 8.360 nan 0.000 0.476 128 V N 1.803 121.597 119.914 -0.200 0.000 2.530 128 V HA 0.188 4.308 4.120 0.001 0.000 0.282 128 V C -0.481 175.356 176.094 -0.429 0.000 1.048 128 V CA -0.542 61.554 62.300 -0.340 0.000 0.997 128 V CB 1.086 32.600 31.823 -0.515 0.000 0.987 128 V HN 0.100 nan 8.190 nan 0.000 0.477 129 N N 6.368 124.906 118.700 -0.270 0.000 2.558 129 N HA 0.333 5.073 4.740 0.001 0.000 0.233 129 N C -0.870 174.577 175.510 -0.104 0.000 1.038 129 N CA -0.315 52.659 53.050 -0.126 0.000 0.934 129 N CB -0.101 38.372 38.487 -0.022 0.000 1.175 129 N HN 0.533 nan 8.380 nan 0.000 0.512 130 F N 1.537 121.542 119.950 0.091 0.000 2.518 130 F HA 0.252 4.780 4.527 0.001 0.000 0.359 130 F C 1.361 177.212 175.800 0.086 0.000 1.118 130 F CA 0.097 58.149 58.000 0.087 0.000 1.287 130 F CB 0.659 39.702 39.000 0.072 0.000 1.132 130 F HN 0.413 nan 8.300 nan 0.000 0.587 131 S N 1.816 117.681 115.700 0.275 0.000 2.565 131 S HA 0.319 4.790 4.470 0.001 0.000 0.269 131 S C -1.548 173.177 174.600 0.208 0.000 1.153 131 S CA -1.011 57.320 58.200 0.218 0.000 0.835 131 S CB 0.683 64.013 63.200 0.215 0.000 1.122 131 S HN 0.437 nan 8.310 nan 0.000 0.462 132 Y N 2.324 122.651 120.300 0.045 0.000 2.644 132 Y HA 0.516 5.067 4.550 0.001 0.000 0.354 132 Y C 0.948 176.873 175.900 0.041 0.000 1.166 132 Y CA -0.525 57.557 58.100 -0.030 0.000 1.591 132 Y CB -0.127 38.284 38.460 -0.082 0.000 1.346 132 Y HN 0.936 nan 8.280 nan 0.000 0.497 133 A N 3.071 126.082 122.820 0.319 0.000 2.390 133 A HA 0.339 4.660 4.320 0.001 0.000 0.232 133 A C 0.460 178.173 177.584 0.215 0.000 1.233 133 A CA 0.425 52.613 52.037 0.251 0.000 0.907 133 A CB 0.198 19.288 19.000 0.150 0.000 0.967 133 A HN 0.437 nan 8.150 nan 0.000 0.512 134 S N -0.584 115.281 115.700 0.275 0.000 2.653 134 S HA 0.375 4.845 4.470 0.001 0.000 0.268 134 S C -1.047 173.721 174.600 0.279 0.000 1.153 134 S CA -0.539 57.790 58.200 0.215 0.000 1.036 134 S CB 0.098 63.329 63.200 0.051 0.000 1.103 134 S HN 0.373 nan 8.310 nan 0.000 0.466 135 H N 2.918 122.056 119.070 0.113 0.000 2.770 135 H HA 0.296 4.852 4.556 0.001 0.000 0.315 135 H C 1.533 176.903 175.328 0.069 0.000 1.127 135 H CA 0.049 56.173 56.048 0.127 0.000 1.155 135 H CB 0.287 30.039 29.762 -0.016 0.000 1.397 135 H HN 0.611 nan 8.280 nan 0.000 0.538 136 K N 0.803 121.279 120.400 0.126 0.000 2.063 136 K HA -0.174 4.147 4.320 0.001 0.000 0.208 136 K C 2.117 178.774 176.600 0.096 0.000 1.048 136 K CA 1.158 57.482 56.287 0.062 0.000 0.928 136 K CB 0.042 32.537 32.500 -0.008 0.000 0.713 136 K HN 0.344 nan 8.250 nan 0.000 0.442 137 A N 0.884 123.757 122.820 0.089 0.000 1.829 137 A HA -0.173 4.147 4.320 0.001 0.000 0.216 137 A C 2.247 179.915 177.584 0.139 0.000 1.207 137 A CA 1.907 54.003 52.037 0.099 0.000 0.622 137 A CB -1.300 17.722 19.000 0.037 0.000 0.846 137 A HN 0.263 nan 8.150 nan 0.000 0.447 138 V N 0.640 120.635 119.914 0.134 0.000 2.324 138 V HA -0.320 3.800 4.120 0.001 0.000 0.250 138 V C 2.149 178.346 176.094 0.172 0.000 1.060 138 V CA 3.115 65.507 62.300 0.153 0.000 1.042 138 V CB -1.131 30.782 31.823 0.150 0.000 0.650 138 V HN 0.664 nan 8.190 nan 0.000 0.450 139 N N 0.383 119.173 118.700 0.150 0.000 2.018 139 N HA -0.205 4.535 4.740 0.001 0.000 0.196 139 N C 1.883 177.449 175.510 0.093 0.000 1.043 139 N CA 2.284 55.396 53.050 0.104 0.000 0.856 139 N CB -0.402 38.134 38.487 0.081 0.000 1.042 139 N HN 0.654 nan 8.380 nan 0.000 0.423 140 E N -1.143 119.132 120.200 0.125 0.000 2.153 140 E HA -0.212 4.139 4.350 0.001 0.000 0.194 140 E C 1.574 178.192 176.600 0.031 0.000 0.988 140 E CA 0.602 57.100 56.400 0.165 0.000 0.811 140 E CB -0.114 29.751 29.700 0.275 0.000 0.746 140 E HN 0.458 nan 8.360 nan 0.000 0.466 141 Y N 1.741 122.020 120.300 -0.035 0.000 2.145 141 Y HA -0.237 4.313 4.550 0.001 0.000 0.286 141 Y C 1.950 177.747 175.900 -0.171 0.000 1.145 141 Y CA 1.746 59.773 58.100 -0.122 0.000 1.148 141 Y CB 0.054 38.484 38.460 -0.050 0.000 0.981 141 Y HN -0.170 nan 8.280 nan 0.000 0.507 142 K N 0.114 120.488 120.400 -0.043 0.000 2.026 142 K HA -0.256 4.064 4.320 0.001 0.000 0.208 142 K C 2.169 178.641 176.600 -0.213 0.000 1.048 142 K CA 1.787 58.011 56.287 -0.106 0.000 0.929 142 K CB -0.329 32.188 32.500 0.027 0.000 0.713 142 K HN 0.441 nan 8.250 nan 0.000 0.439 143 E N 0.600 120.710 120.200 -0.149 0.000 2.086 143 E HA -0.270 4.080 4.350 0.001 0.000 0.200 143 E C 1.919 178.362 176.600 -0.261 0.000 1.012 143 E CA 1.485 57.820 56.400 -0.108 0.000 0.812 143 E CB -0.088 29.640 29.700 0.046 0.000 0.743 143 E HN 0.362 nan 8.360 nan 0.000 0.453 144 A N 0.692 123.122 122.820 -0.650 0.000 1.930 144 A HA -0.179 4.142 4.320 0.001 0.000 0.217 144 A C 2.051 179.254 177.584 -0.635 0.000 1.175 144 A CA 1.777 53.216 52.037 -0.996 0.000 0.627 144 A CB -0.358 17.504 19.000 -1.896 0.000 0.815 144 A HN 0.114 nan 8.150 nan 0.000 0.443 145 K N 0.472 120.502 120.400 -0.618 0.000 2.062 145 K HA 0.114 4.435 4.320 0.001 0.000 0.205 145 K C 1.865 178.313 176.600 -0.254 0.000 1.051 145 K CA 1.561 57.577 56.287 -0.451 0.000 0.941 145 K CB -0.661 31.558 32.500 -0.468 0.000 0.719 145 K HN 0.275 nan 8.250 nan 0.000 0.440 146 A N 0.026 122.722 122.820 -0.207 0.000 2.070 146 A HA -0.029 4.291 4.320 0.001 0.000 0.220 146 A C 1.596 179.118 177.584 -0.102 0.000 1.159 146 A CA 1.107 53.071 52.037 -0.121 0.000 0.656 146 A CB -0.363 18.584 19.000 -0.089 0.000 0.800 146 A HN 0.275 nan 8.150 nan 0.000 0.453 147 L N -1.567 119.580 121.223 -0.127 0.000 2.591 147 L HA 0.275 4.615 4.340 0.001 0.000 0.228 147 L C 1.709 178.527 176.870 -0.087 0.000 1.133 147 L CA 1.116 55.909 54.840 -0.078 0.000 0.880 147 L CB -0.229 41.809 42.059 -0.035 0.000 1.033 147 L HN 0.589 nan 8.230 nan 0.000 0.450 148 G N -1.093 107.633 108.800 -0.124 0.000 2.176 148 G HA2 -0.197 3.764 3.960 0.001 0.000 0.232 148 G HA3 -0.197 3.764 3.960 0.001 0.000 0.232 148 G C 0.075 174.895 174.900 -0.133 0.000 0.986 148 G CA 0.084 45.119 45.100 -0.108 0.000 0.643 148 G HN 0.177 nan 8.290 nan 0.000 0.522 149 V N 0.710 120.504 119.914 -0.200 0.000 2.540 149 V HA 0.687 4.808 4.120 0.001 0.000 0.302 149 V C -1.126 174.759 176.094 -0.348 0.000 1.035 149 V CA -0.688 61.474 62.300 -0.230 0.000 0.873 149 V CB 1.944 33.650 31.823 -0.194 0.000 0.992 149 V HN 0.243 nan 8.190 nan 0.000 0.428 150 D N 4.147 124.391 120.400 -0.260 0.000 2.249 150 D HA 0.566 5.207 4.640 0.001 0.000 0.246 150 D C 0.035 176.220 176.300 -0.193 0.000 1.114 150 D CA 0.215 54.074 54.000 -0.235 0.000 0.854 150 D CB 1.731 42.481 40.800 -0.083 0.000 1.132 150 D HN 0.839 nan 8.370 nan 0.000 0.461 151 T N -0.519 113.924 114.554 -0.184 0.000 2.940 151 T HA 0.604 4.954 4.350 0.001 0.000 0.288 151 T C -0.410 174.441 174.700 0.253 0.000 1.045 151 T CA -0.867 61.216 62.100 -0.028 0.000 1.018 151 T CB 1.228 69.965 68.868 -0.219 0.000 1.151 151 T HN 0.036 nan 8.240 nan 0.000 0.529 152 V N 2.707 122.765 119.914 0.240 0.000 2.311 152 V HA 0.378 4.498 4.120 0.001 0.000 0.275 152 V C -2.482 173.753 176.094 0.236 0.000 1.022 152 V CA -2.044 60.420 62.300 0.272 0.000 0.830 152 V CB 0.747 32.743 31.823 0.289 0.000 1.012 152 V HN 0.775 nan 8.190 nan 0.000 0.452 153 P HA 0.084 nan 4.420 nan 0.000 0.267 153 P C -0.443 176.946 177.300 0.149 0.000 1.209 153 P CA 0.222 63.424 63.100 0.171 0.000 0.763 153 P CB 0.594 32.355 31.700 0.101 0.000 0.816 154 V N 6.083 126.093 119.914 0.161 0.000 2.370 154 V HA 0.302 4.423 4.120 0.001 0.000 0.279 154 V C 0.328 176.503 176.094 0.135 0.000 1.029 154 V CA -0.216 62.175 62.300 0.153 0.000 0.870 154 V CB 0.577 32.503 31.823 0.170 0.000 0.984 154 V HN 0.366 nan 8.190 nan 0.000 0.451 155 L N 4.894 126.199 121.223 0.135 0.000 2.354 155 L HA 0.605 4.946 4.340 0.001 0.000 0.269 155 L C -0.365 176.627 176.870 0.204 0.000 1.005 155 L CA -1.089 53.835 54.840 0.141 0.000 0.819 155 L CB 2.270 44.410 42.059 0.134 0.000 1.311 155 L HN 0.263 nan 8.230 nan 0.000 0.423 156 V N 1.691 121.744 119.914 0.231 0.000 2.470 156 V HA 0.164 4.284 4.120 0.001 0.000 0.276 156 V C 1.051 177.334 176.094 0.316 0.000 1.040 156 V CA -0.249 62.228 62.300 0.296 0.000 1.008 156 V CB 1.017 33.045 31.823 0.342 0.000 0.990 156 V HN 0.918 nan 8.190 nan 0.000 0.477 157 G N 7.536 116.488 108.800 0.254 0.000 2.257 157 G HA2 0.058 4.019 3.960 0.001 0.000 0.235 157 G HA3 0.058 4.019 3.960 0.001 0.000 0.235 157 G C -0.829 174.085 174.900 0.022 0.000 1.225 157 G CA -0.357 44.837 45.100 0.157 0.000 0.878 157 G HN 0.633 nan 8.290 nan 0.000 0.505 158 P HA -0.190 nan 4.420 nan 0.000 0.215 158 P C 2.002 179.199 177.300 -0.171 0.000 1.157 158 P CA 1.591 64.329 63.100 -0.604 0.000 0.874 158 P CB 0.059 31.117 31.700 -1.069 0.000 0.790 159 V N -0.533 119.239 119.914 -0.235 0.000 2.453 159 V HA -0.116 4.005 4.120 0.001 0.000 0.247 159 V C 2.368 178.374 176.094 -0.146 0.000 1.048 159 V CA 2.344 64.452 62.300 -0.320 0.000 1.049 159 V CB -1.279 30.051 31.823 -0.822 0.000 0.672 159 V HN 0.014 nan 8.190 nan 0.000 0.457 160 S N -0.534 115.201 115.700 0.058 0.000 2.368 160 S HA -0.193 4.278 4.470 0.001 0.000 0.225 160 S C 1.700 176.410 174.600 0.184 0.000 1.030 160 S CA 1.952 60.276 58.200 0.207 0.000 0.999 160 S CB -0.617 62.771 63.200 0.314 0.000 0.844 160 S HN 0.861 nan 8.310 nan 0.000 0.459 161 Y N 2.298 122.664 120.300 0.109 0.000 2.081 161 Y HA -0.185 4.366 4.550 0.001 0.000 0.280 161 Y C 1.888 177.856 175.900 0.114 0.000 1.163 161 Y CA 1.482 59.668 58.100 0.143 0.000 1.135 161 Y CB -0.548 38.014 38.460 0.170 0.000 0.970 161 Y HN 0.151 nan 8.280 nan 0.000 0.498 162 L N -0.623 120.615 121.223 0.025 0.000 2.046 162 L HA -0.245 4.095 4.340 0.001 0.000 0.208 162 L C 2.496 179.317 176.870 -0.083 0.000 1.077 162 L CA 1.260 56.061 54.840 -0.065 0.000 0.747 162 L CB -0.618 41.436 42.059 -0.008 0.000 0.896 162 L HN 0.296 nan 8.230 nan 0.000 0.432 163 L N -0.644 120.547 121.223 -0.052 0.000 2.083 163 L HA -0.226 4.114 4.340 0.001 0.000 0.209 163 L C 2.364 179.221 176.870 -0.022 0.000 1.083 163 L CA 1.132 55.954 54.840 -0.030 0.000 0.752 163 L CB -0.404 41.660 42.059 0.009 0.000 0.899 163 L HN 0.282 nan 8.230 nan 0.000 0.433 164 L N -1.116 120.094 121.223 -0.022 0.000 2.465 164 L HA -0.035 4.305 4.340 0.001 0.000 0.224 164 L C 1.462 178.378 176.870 0.076 0.000 1.145 164 L CA -0.065 54.786 54.840 0.019 0.000 0.834 164 L CB -0.216 41.839 42.059 -0.008 0.000 0.944 164 L HN 0.173 nan 8.230 nan 0.000 0.451 165 S N -0.579 115.084 115.700 -0.061 0.000 2.625 165 S HA 0.357 4.828 4.470 0.001 0.000 0.262 165 S C 0.032 174.644 174.600 0.019 0.000 1.223 165 S CA -0.352 57.815 58.200 -0.055 0.000 0.993 165 S CB 0.781 63.868 63.200 -0.187 0.000 1.051 165 S HN 0.028 nan 8.310 nan 0.000 0.562 166 K N 0.109 120.534 120.400 0.042 0.000 2.542 166 K HA 0.499 4.819 4.320 0.001 0.000 0.259 166 K C -1.246 175.409 176.600 0.092 0.000 0.932 166 K CA -0.565 55.756 56.287 0.058 0.000 0.820 166 K CB 1.799 34.319 32.500 0.034 0.000 1.345 166 K HN 0.627 nan 8.250 nan 0.000 0.432 167 A N 1.648 124.541 122.820 0.121 0.000 2.396 167 A HA 0.553 4.873 4.320 0.001 0.000 0.279 167 A C 0.375 177.995 177.584 0.059 0.000 1.165 167 A CA -0.065 52.054 52.037 0.136 0.000 0.824 167 A CB -0.077 19.061 19.000 0.230 0.000 1.100 167 A HN 0.716 nan 8.150 nan 0.000 0.516 168 A N 3.588 126.424 122.820 0.027 0.000 2.406 168 A HA 0.381 4.701 4.320 0.001 0.000 0.243 168 A C 0.659 178.235 177.584 -0.013 0.000 1.082 168 A CA -0.304 51.735 52.037 0.004 0.000 0.786 168 A CB 0.024 19.022 19.000 -0.004 0.000 1.029 168 A HN 0.839 nan 8.150 nan 0.000 0.495 169 K N 0.040 120.431 120.400 -0.014 0.000 2.600 169 K HA 0.113 4.433 4.320 0.001 0.000 0.280 169 K C 1.362 177.945 176.600 -0.029 0.000 0.971 169 K CA 1.289 57.565 56.287 -0.018 0.000 1.053 169 K CB -0.159 32.328 32.500 -0.022 0.000 0.856 169 K HN 1.465 nan 8.250 nan 0.000 0.495 170 G N 1.009 109.796 108.800 -0.022 0.000 3.206 170 G HA2 -0.312 3.648 3.960 0.001 0.000 0.217 170 G HA3 -0.312 3.648 3.960 0.001 0.000 0.217 170 G C 0.090 174.969 174.900 -0.035 0.000 1.350 170 G CA -0.111 44.971 45.100 -0.030 0.000 0.836 170 G HN 0.498 nan 8.290 nan 0.000 0.548 171 V N 4.941 124.817 119.914 -0.063 0.000 2.707 171 V HA 0.127 4.247 4.120 0.001 0.000 0.291 171 V C 1.090 177.184 176.094 -0.000 0.000 1.002 171 V CA 0.730 62.974 62.300 -0.093 0.000 1.200 171 V CB -0.588 31.150 31.823 -0.140 0.000 0.854 171 V HN 0.745 nan 8.190 nan 0.000 0.462 172 D N 5.741 126.151 120.400 0.017 0.000 2.515 172 D HA -0.121 4.519 4.640 0.001 0.000 0.232 172 D C 1.292 177.652 176.300 0.100 0.000 1.157 172 D CA 0.142 54.174 54.000 0.054 0.000 0.871 172 D CB 0.825 41.659 40.800 0.056 0.000 1.200 172 D HN 0.718 nan 8.370 nan 0.000 0.466 173 K N 0.991 121.434 120.400 0.073 0.000 2.107 173 K HA -0.272 4.049 4.320 0.001 0.000 0.211 173 K C 1.658 178.308 176.600 0.083 0.000 1.049 173 K CA 2.054 58.383 56.287 0.070 0.000 0.927 173 K CB -0.597 31.928 32.500 0.043 0.000 0.714 173 K HN 0.431 nan 8.250 nan 0.000 0.452 174 S N 0.357 116.108 115.700 0.085 0.000 2.561 174 S HA -0.024 4.447 4.470 0.001 0.000 0.225 174 S C 0.494 175.148 174.600 0.090 0.000 0.977 174 S CA -0.456 57.785 58.200 0.068 0.000 0.926 174 S CB -0.624 62.608 63.200 0.052 0.000 0.769 174 S HN 0.378 nan 8.310 nan 0.000 0.533 175 F N 3.654 123.611 119.950 0.010 0.000 2.538 175 F HA 0.338 4.865 4.527 0.001 0.000 0.371 175 F C 0.434 176.242 175.800 0.013 0.000 1.087 175 F CA -0.568 57.441 58.000 0.015 0.000 1.250 175 F CB 0.438 39.451 39.000 0.021 0.000 1.110 175 F HN -0.037 nan 8.300 nan 0.000 0.570 176 E N 6.653 126.306 120.200 -0.912 0.000 2.174 176 E HA 0.156 4.506 4.350 0.001 0.000 0.282 176 E C 0.866 176.786 176.600 -1.133 0.000 0.992 176 E CA -0.198 55.765 56.400 -0.729 0.000 0.803 176 E CB 1.399 30.864 29.700 -0.393 0.000 1.090 176 E HN 0.916 nan 8.360 nan 0.000 0.396 177 L N 3.548 124.414 121.223 -0.595 0.000 2.079 177 L HA -0.214 4.126 4.340 0.001 0.000 0.210 177 L C 1.858 178.615 176.870 -0.188 0.000 1.081 177 L CA 0.615 55.297 54.840 -0.264 0.000 0.752 177 L CB -0.261 41.776 42.059 -0.037 0.000 0.896 177 L HN 0.459 nan 8.230 nan 0.000 0.433 178 L N 0.071 121.170 121.223 -0.207 0.000 2.642 178 L HA -0.124 4.216 4.340 0.001 0.000 0.236 178 L C 2.488 179.273 176.870 -0.141 0.000 1.169 178 L CA 1.399 56.146 54.840 -0.155 0.000 0.851 178 L CB -0.960 41.007 42.059 -0.154 0.000 0.968 178 L HN 0.321 nan 8.230 nan 0.000 0.453 179 S N -2.399 113.187 115.700 -0.190 0.000 2.603 179 S HA 0.049 4.520 4.470 0.001 0.000 0.220 179 S C 1.441 176.064 174.600 0.039 0.000 0.967 179 S CA 0.188 58.329 58.200 -0.097 0.000 0.920 179 S CB -0.263 62.843 63.200 -0.157 0.000 0.773 179 S HN 0.458 nan 8.310 nan 0.000 0.529 180 L N 0.232 121.488 121.223 0.054 0.000 2.640 180 L HA 0.348 4.688 4.340 0.001 0.000 0.230 180 L C 1.874 178.705 176.870 -0.065 0.000 1.123 180 L CA -0.009 54.882 54.840 0.085 0.000 0.900 180 L CB -0.377 41.803 42.059 0.202 0.000 1.146 180 L HN 0.272 nan 8.230 nan 0.000 0.484 181 L N 0.935 122.109 121.223 -0.081 0.000 2.137 181 L HA -0.193 4.147 4.340 0.001 0.000 0.213 181 L C -0.280 176.515 176.870 -0.125 0.000 1.085 181 L CA 1.723 56.484 54.840 -0.131 0.000 0.760 181 L CB -1.206 40.770 42.059 -0.139 0.000 0.893 181 L HN 0.272 nan 8.230 nan 0.000 0.434 182 P HA -0.123 nan 4.420 nan 0.000 0.220 182 P C 1.236 178.500 177.300 -0.060 0.000 1.152 182 P CA 1.214 64.281 63.100 -0.055 0.000 0.812 182 P CB 0.096 31.788 31.700 -0.013 0.000 0.792 183 K N -0.570 119.780 120.400 -0.083 0.000 2.305 183 K HA 0.066 4.386 4.320 0.001 0.000 0.199 183 K C 1.989 178.412 176.600 -0.296 0.000 1.047 183 K CA 0.904 57.137 56.287 -0.090 0.000 0.976 183 K CB -0.241 32.313 32.500 0.090 0.000 0.765 183 K HN 0.285 nan 8.250 nan 0.000 0.474 184 I N -2.529 117.787 120.570 -0.423 0.000 2.867 184 I HA -0.040 4.131 4.170 0.001 0.000 0.265 184 I C 1.790 177.875 176.117 -0.053 0.000 1.162 184 I CA 0.361 61.446 61.300 -0.357 0.000 1.471 184 I CB -0.070 37.705 38.000 -0.374 0.000 1.123 184 I HN -0.135 nan 8.210 nan 0.000 0.440 185 L N 2.023 123.192 121.223 -0.090 0.000 2.079 185 L HA -0.014 4.326 4.340 0.001 0.000 0.210 185 L C -0.418 176.440 176.870 -0.021 0.000 1.081 185 L CA 2.350 57.148 54.840 -0.071 0.000 0.752 185 L CB -1.671 40.299 42.059 -0.148 0.000 0.896 185 L HN 0.191 nan 8.230 nan 0.000 0.433 186 P HA -0.144 nan 4.420 nan 0.000 0.216 186 P C 1.977 179.256 177.300 -0.035 0.000 1.150 186 P CA 1.495 64.580 63.100 -0.025 0.000 0.837 186 P CB 0.042 31.737 31.700 -0.009 0.000 0.786 187 I N -2.922 117.612 120.570 -0.061 0.000 2.353 187 I HA -0.238 3.932 4.170 0.001 0.000 0.248 187 I C 2.139 178.081 176.117 -0.292 0.000 1.119 187 I CA 1.305 62.500 61.300 -0.175 0.000 1.417 187 I CB -0.685 37.193 38.000 -0.202 0.000 1.078 187 I HN -0.091 nan 8.210 nan 0.000 0.421 188 Y N 1.539 121.685 120.300 -0.256 0.000 2.207 188 Y HA -0.257 4.293 4.550 0.001 0.000 0.287 188 Y C 2.555 178.328 175.900 -0.212 0.000 1.156 188 Y CA 1.613 59.560 58.100 -0.254 0.000 1.182 188 Y CB -0.319 38.001 38.460 -0.233 0.000 0.979 188 Y HN 0.031 nan 8.280 nan 0.000 0.521 189 K N 0.091 120.479 120.400 -0.020 0.000 2.009 189 K HA -0.216 4.105 4.320 0.001 0.000 0.210 189 K C 1.948 178.516 176.600 -0.054 0.000 1.049 189 K CA 1.946 58.209 56.287 -0.041 0.000 0.929 189 K CB -0.240 32.240 32.500 -0.033 0.000 0.714 189 K HN 0.401 nan 8.250 nan 0.000 0.440 190 E N 0.418 120.582 120.200 -0.060 0.000 2.058 190 E HA -0.201 4.149 4.350 0.001 0.000 0.194 190 E C 2.095 178.697 176.600 0.004 0.000 0.997 190 E CA 1.524 57.930 56.400 0.011 0.000 0.801 190 E CB -0.166 29.597 29.700 0.104 0.000 0.746 190 E HN 0.061 nan 8.360 nan 0.000 0.450 191 V N 1.780 121.552 119.914 -0.236 0.000 2.261 191 V HA -0.267 3.854 4.120 0.001 0.000 0.246 191 V C 2.325 178.359 176.094 -0.100 0.000 1.047 191 V CA 1.715 63.864 62.300 -0.252 0.000 1.015 191 V CB -0.480 31.036 31.823 -0.510 0.000 0.642 191 V HN 0.274 nan 8.190 nan 0.000 0.446 192 I N -0.094 120.416 120.570 -0.101 0.000 2.423 192 I HA -0.235 3.936 4.170 0.001 0.000 0.254 192 I C 2.443 178.528 176.117 -0.055 0.000 1.151 192 I CA 1.590 62.850 61.300 -0.066 0.000 1.421 192 I CB -0.626 37.344 38.000 -0.051 0.000 1.079 192 I HN 0.345 nan 8.210 nan 0.000 0.431 193 T N 0.090 114.623 114.554 -0.034 0.000 2.809 193 T HA -0.111 4.240 4.350 0.001 0.000 0.260 193 T C 1.767 176.460 174.700 -0.012 0.000 1.039 193 T CA 1.109 63.198 62.100 -0.019 0.000 1.141 193 T CB -0.080 68.788 68.868 0.001 0.000 0.869 193 T HN 0.380 nan 8.240 nan 0.000 0.437 194 E N 0.505 120.715 120.200 0.017 0.000 2.153 194 E HA -0.088 4.262 4.350 0.001 0.000 0.194 194 E C 1.972 178.559 176.600 -0.022 0.000 0.988 194 E CA 0.701 57.118 56.400 0.028 0.000 0.811 194 E CB -0.086 29.669 29.700 0.091 0.000 0.746 194 E HN 0.239 nan 8.360 nan 0.000 0.466 195 L N 1.299 122.481 121.223 -0.069 0.000 2.044 195 L HA -0.145 4.196 4.340 0.001 0.000 0.205 195 L C 2.078 178.821 176.870 -0.211 0.000 1.075 195 L CA 1.643 56.371 54.840 -0.186 0.000 0.747 195 L CB -0.571 41.372 42.059 -0.195 0.000 0.903 195 L HN -0.039 nan 8.230 nan 0.000 0.435 196 K N -0.532 119.791 120.400 -0.129 0.000 2.063 196 K HA -0.164 4.156 4.320 0.001 0.000 0.208 196 K C 2.078 178.634 176.600 -0.075 0.000 1.048 196 K CA 1.482 57.709 56.287 -0.101 0.000 0.928 196 K CB -0.368 32.092 32.500 -0.067 0.000 0.713 196 K HN 0.307 nan 8.250 nan 0.000 0.442 197 A N 1.353 124.142 122.820 -0.051 0.000 1.978 197 A HA -0.112 4.209 4.320 0.001 0.000 0.220 197 A C 2.213 179.792 177.584 -0.009 0.000 1.170 197 A CA 1.878 53.903 52.037 -0.021 0.000 0.636 197 A CB -0.446 18.551 19.000 -0.004 0.000 0.810 197 A HN 0.355 nan 8.150 nan 0.000 0.448 198 A N -2.554 120.251 122.820 -0.025 0.000 2.218 198 A HA 0.442 4.762 4.320 0.001 0.000 0.209 198 A C 1.689 179.327 177.584 0.089 0.000 1.168 198 A CA 1.274 53.338 52.037 0.045 0.000 0.804 198 A CB -0.444 18.617 19.000 0.102 0.000 0.834 198 A HN 1.721 nan 8.150 nan 0.000 0.482 199 G N -1.879 106.913 108.800 -0.013 0.000 2.380 199 G HA2 0.186 4.146 3.960 0.001 0.000 0.197 199 G HA3 0.186 4.146 3.960 0.001 0.000 0.197 199 G C 0.545 175.428 174.900 -0.028 0.000 1.001 199 G CA -0.047 45.080 45.100 0.045 0.000 0.668 199 G HN 1.526 nan 8.290 nan 0.000 0.483 200 A N 1.085 123.687 122.820 -0.363 0.000 2.598 200 A HA 0.467 4.788 4.320 0.001 0.000 0.239 200 A C 1.512 179.061 177.584 -0.058 0.000 1.032 200 A CA 2.130 53.958 52.037 -0.349 0.000 0.760 200 A CB 0.052 18.708 19.000 -0.575 0.000 0.946 200 A HN 1.638 nan 8.150 nan 0.000 0.512 201 T N -1.357 113.263 114.554 0.109 0.000 3.040 201 T HA 0.383 4.733 4.350 0.001 0.000 0.266 201 T C -0.333 174.467 174.700 0.168 0.000 1.005 201 T CA -0.113 62.074 62.100 0.145 0.000 0.906 201 T CB -0.126 68.888 68.868 0.243 0.000 1.082 201 T HN 0.589 nan 8.240 nan 0.000 0.531 202 W N 0.085 121.391 121.300 0.011 0.000 3.296 202 W HA 0.754 5.415 4.660 0.001 0.000 0.314 202 W C -1.156 175.348 176.519 -0.025 0.000 1.238 202 W CA -1.215 56.133 57.345 0.004 0.000 1.193 202 W CB 1.571 31.085 29.460 0.091 0.000 1.383 202 W HN 0.070 nan 8.180 nan 0.000 0.545 203 I N 1.372 122.040 120.570 0.163 0.000 3.174 203 I HA 0.511 4.681 4.170 0.001 0.000 0.313 203 I C -1.505 174.657 176.117 0.074 0.000 1.155 203 I CA -1.068 60.286 61.300 0.090 0.000 0.977 203 I CB 2.564 40.570 38.000 0.010 0.000 1.248 203 I HN 0.489 nan 8.210 nan 0.000 0.453 204 Q N 5.107 124.949 119.800 0.069 0.000 2.295 204 Q HA 0.370 4.710 4.340 0.001 0.000 0.259 204 Q C -2.230 173.814 176.000 0.073 0.000 0.966 204 Q CA -0.735 55.092 55.803 0.039 0.000 0.763 204 Q CB 1.573 30.353 28.738 0.070 0.000 1.283 204 Q HN 0.482 nan 8.270 nan 0.000 0.445 205 L N 3.440 124.700 121.223 0.063 0.000 2.264 205 L HA 0.411 4.751 4.340 0.001 0.000 0.289 205 L C -0.473 176.460 176.870 0.104 0.000 1.044 205 L CA -0.234 54.680 54.840 0.124 0.000 0.807 205 L CB 1.164 43.333 42.059 0.183 0.000 1.192 205 L HN 0.700 nan 8.230 nan 0.000 0.425 206 D N 3.174 123.662 120.400 0.148 0.000 2.365 206 D HA 0.190 4.831 4.640 0.001 0.000 0.237 206 D C 0.314 176.679 176.300 0.109 0.000 1.190 206 D CA 0.111 54.184 54.000 0.122 0.000 0.867 206 D CB 0.975 41.933 40.800 0.263 0.000 1.050 206 D HN 0.284 nan 8.370 nan 0.000 0.491 207 E N 3.695 123.890 120.200 -0.008 0.000 3.312 207 E HA 0.123 4.473 4.350 0.001 0.000 0.215 207 E C -1.739 174.773 176.600 -0.146 0.000 1.160 207 E CA -1.479 54.960 56.400 0.065 0.000 1.267 207 E CB 1.190 30.973 29.700 0.137 0.000 1.361 207 E HN 0.360 nan 8.360 nan 0.000 0.433 208 P HA -0.108 nan 4.420 nan 0.000 0.220 208 P C 1.374 178.522 177.300 -0.254 0.000 1.148 208 P CA 0.664 63.386 63.100 -0.630 0.000 0.803 208 P CB 0.282 31.363 31.700 -1.032 0.000 0.782 209 V N 0.125 120.124 119.914 0.141 0.000 3.026 209 V HA -0.171 3.949 4.120 0.001 0.000 0.265 209 V C 2.543 178.700 176.094 0.105 0.000 1.121 209 V CA 1.147 63.619 62.300 0.287 0.000 1.142 209 V CB -1.379 30.653 31.823 0.348 0.000 0.730 209 V HN 0.077 nan 8.190 nan 0.000 0.503 210 L N 0.189 121.349 121.223 -0.104 0.000 2.551 210 L HA 0.021 4.362 4.340 0.001 0.000 0.228 210 L C 1.161 177.950 176.870 -0.134 0.000 1.153 210 L CA 0.268 54.946 54.840 -0.271 0.000 0.851 210 L CB -0.265 41.511 42.059 -0.471 0.000 0.959 210 L HN 0.473 nan 8.230 nan 0.000 0.451 214 L N 2.288 123.523 121.223 0.019 0.000 2.334 214 L HA 0.358 4.698 4.340 0.001 0.000 0.276 214 L C 0.575 177.460 176.870 0.025 0.000 1.014 214 L CA -0.654 54.210 54.840 0.039 0.000 0.815 214 L CB 1.683 43.787 42.059 0.075 0.000 1.268 214 L HN 0.302 nan 8.230 nan 0.000 0.428 215 E N 1.141 121.356 120.200 0.025 0.000 2.373 215 E HA 0.304 4.654 4.350 0.001 0.000 0.263 215 E C 0.878 177.491 176.600 0.022 0.000 1.073 215 E CA -0.038 56.370 56.400 0.013 0.000 0.894 215 E CB 0.661 30.364 29.700 0.005 0.000 1.008 215 E HN 0.712 nan 8.360 nan 0.000 0.420 216 G N 1.688 110.495 108.800 0.011 0.000 2.485 216 G HA2 -0.319 3.641 3.960 0.001 0.000 0.221 216 G HA3 -0.319 3.641 3.960 0.001 0.000 0.221 216 G C 1.248 176.160 174.900 0.020 0.000 1.115 216 G CA 0.723 45.831 45.100 0.014 0.000 0.751 216 G HN 0.473 nan 8.290 nan 0.000 0.567 217 Q N 0.032 119.840 119.800 0.013 0.000 2.172 217 Q HA 0.121 4.461 4.340 0.001 0.000 0.200 217 Q C 2.500 178.509 176.000 0.015 0.000 0.964 217 Q CA 1.043 56.849 55.803 0.006 0.000 0.855 217 Q CB -0.042 28.691 28.738 -0.008 0.000 0.918 217 Q HN 0.432 nan 8.270 nan 0.000 0.444 218 K N -0.164 120.257 120.400 0.034 0.000 2.044 218 K HA 0.051 4.371 4.320 0.001 0.000 0.204 218 K C 1.942 178.640 176.600 0.164 0.000 1.049 218 K CA 0.597 56.919 56.287 0.058 0.000 0.945 218 K CB -0.074 32.470 32.500 0.074 0.000 0.724 218 K HN 0.121 nan 8.250 nan 0.000 0.440 219 L N 1.166 122.496 121.223 0.178 0.000 2.081 219 L HA -0.256 4.084 4.340 0.001 0.000 0.212 219 L C 2.635 179.634 176.870 0.215 0.000 1.080 219 L CA 1.210 56.189 54.840 0.232 0.000 0.754 219 L CB -0.326 41.779 42.059 0.076 0.000 0.893 219 L HN 0.227 nan 8.230 nan 0.000 0.433 220 Q N 0.112 119.977 119.800 0.108 0.000 2.291 220 Q HA -0.132 4.208 4.340 0.001 0.000 0.205 220 Q C 2.068 178.106 176.000 0.063 0.000 0.970 220 Q CA 1.558 57.402 55.803 0.068 0.000 0.876 220 Q CB -0.108 28.646 28.738 0.028 0.000 0.935 220 Q HN 0.442 nan 8.270 nan 0.000 0.455 221 A N -0.739 122.106 122.820 0.041 0.000 1.969 221 A HA -0.088 4.233 4.320 0.001 0.000 0.218 221 A C 1.723 179.252 177.584 -0.092 0.000 1.169 221 A CA 1.051 53.048 52.037 -0.066 0.000 0.635 221 A CB -0.756 18.151 19.000 -0.156 0.000 0.810 221 A HN 0.466 nan 8.150 nan 0.000 0.445 222 F N 0.815 120.782 119.950 0.028 0.000 2.102 222 F HA -0.157 4.371 4.527 0.001 0.000 0.298 222 F C 2.791 178.670 175.800 0.131 0.000 1.105 222 F CA 2.023 60.075 58.000 0.086 0.000 1.239 222 F CB -0.888 38.120 39.000 0.014 0.000 0.991 222 F HN 0.161 nan 8.300 nan 0.000 0.474 223 T N -0.762 113.932 114.554 0.233 0.000 2.699 223 T HA -0.205 4.145 4.350 0.001 0.000 0.268 223 T C 2.269 177.033 174.700 0.107 0.000 1.036 223 T CA 1.465 63.648 62.100 0.138 0.000 1.147 223 T CB -1.119 67.791 68.868 0.069 0.000 0.862 223 T HN 0.460 nan 8.240 nan 0.000 0.446 224 G N 0.638 109.472 108.800 0.057 0.000 2.448 224 G HA2 0.124 4.084 3.960 0.001 0.000 0.218 224 G HA3 0.124 4.084 3.960 0.001 0.000 0.218 224 G C 1.724 176.614 174.900 -0.017 0.000 1.135 224 G CA 0.761 45.867 45.100 0.009 0.000 0.784 224 G HN 0.597 nan 8.290 nan 0.000 0.543 225 A N 0.548 123.358 122.820 -0.018 0.000 1.840 225 A HA 0.085 4.406 4.320 0.001 0.000 0.214 225 A C 2.146 179.612 177.584 -0.196 0.000 1.198 225 A CA 1.247 53.194 52.037 -0.151 0.000 0.608 225 A CB -0.704 18.156 19.000 -0.234 0.000 0.839 225 A HN 0.331 nan 8.150 nan 0.000 0.443 226 Y N 0.296 120.562 120.300 -0.057 0.000 2.403 226 Y HA -0.020 4.530 4.550 0.001 0.000 0.291 226 Y C 2.743 178.616 175.900 -0.045 0.000 1.143 226 Y CA 0.506 58.577 58.100 -0.048 0.000 1.257 226 Y CB -0.523 37.925 38.460 -0.019 0.000 0.984 226 Y HN 0.349 nan 8.280 nan 0.000 0.550 227 A N 0.292 123.155 122.820 0.073 0.000 1.841 227 A HA -0.225 4.096 4.320 0.001 0.000 0.214 227 A C 2.065 179.639 177.584 -0.017 0.000 1.195 227 A CA 1.741 53.794 52.037 0.026 0.000 0.611 227 A CB -0.700 18.310 19.000 0.017 0.000 0.835 227 A HN 0.385 nan 8.150 nan 0.000 0.443 228 E N -0.883 119.289 120.200 -0.047 0.000 2.333 228 E HA -0.121 4.229 4.350 0.001 0.000 0.198 228 E C 1.381 177.926 176.600 -0.091 0.000 1.007 228 E CA 0.808 57.167 56.400 -0.068 0.000 0.845 228 E CB -0.137 29.512 29.700 -0.085 0.000 0.766 228 E HN 0.372 nan 8.360 nan 0.000 0.507 229 L N 0.446 121.597 121.223 -0.120 0.000 2.354 229 L HA 0.146 4.486 4.340 0.001 0.000 0.212 229 L C 1.969 178.791 176.870 -0.080 0.000 1.091 229 L CA 1.006 55.762 54.840 -0.140 0.000 0.828 229 L CB -0.548 41.347 42.059 -0.272 0.000 0.973 229 L HN 0.171 nan 8.230 nan 0.000 0.461 230 E N -0.089 120.084 120.200 -0.045 0.000 2.132 230 E HA -0.360 3.990 4.350 0.001 0.000 0.218 230 E C 2.174 178.751 176.600 -0.038 0.000 1.058 230 E CA 2.455 58.838 56.400 -0.028 0.000 0.882 230 E CB 0.030 29.721 29.700 -0.014 0.000 0.774 230 E HN 0.610 nan 8.360 nan 0.000 0.467 231 S N -0.440 115.238 115.700 -0.037 0.000 2.370 231 S HA -0.177 4.293 4.470 0.001 0.000 0.226 231 S C 2.091 176.668 174.600 -0.040 0.000 1.033 231 S CA 1.881 60.060 58.200 -0.035 0.000 1.011 231 S CB -0.754 62.428 63.200 -0.030 0.000 0.852 231 S HN 0.179 nan 8.310 nan 0.000 0.457 232 T N 1.898 116.424 114.554 -0.046 0.000 2.995 232 T HA 0.194 4.544 4.350 0.001 0.000 0.269 232 T C 1.236 175.903 174.700 -0.055 0.000 1.091 232 T CA 0.643 62.715 62.100 -0.048 0.000 1.128 232 T CB -0.297 68.541 68.868 -0.051 0.000 0.891 232 T HN 0.154 nan 8.240 nan 0.000 0.492 233 L N 1.140 122.327 121.223 -0.060 0.000 2.558 233 L HA 0.281 4.621 4.340 0.001 0.000 0.225 233 L C 1.041 177.865 176.870 -0.076 0.000 1.128 233 L CA 0.349 55.147 54.840 -0.071 0.000 0.868 233 L CB -0.672 41.347 42.059 -0.065 0.000 1.006 233 L HN 0.009 nan 8.230 nan 0.000 0.454 234 S N 0.461 116.125 115.700 -0.060 0.000 2.558 234 S HA 0.317 4.787 4.470 0.001 0.000 0.293 234 S C 1.018 175.579 174.600 -0.065 0.000 1.292 234 S CA 0.299 58.465 58.200 -0.057 0.000 1.063 234 S CB -0.130 63.045 63.200 -0.042 0.000 0.831 234 S HN 0.594 nan 8.310 nan 0.000 0.499 235 G N 1.241 110.000 108.800 -0.068 0.000 2.274 235 G HA2 -0.026 3.934 3.960 0.001 0.000 0.251 235 G HA3 -0.026 3.934 3.960 0.001 0.000 0.251 235 G C -0.745 174.096 174.900 -0.099 0.000 0.836 235 G CA 0.009 45.066 45.100 -0.071 0.000 1.246 235 G HN 1.079 nan 8.290 nan 0.000 0.355 236 L N 0.932 122.062 121.223 -0.154 0.000 4.631 236 L HA 0.257 4.598 4.340 0.001 0.000 0.251 236 L C -1.003 175.652 176.870 -0.358 0.000 1.055 236 L CA -0.841 53.869 54.840 -0.217 0.000 1.047 236 L CB 0.699 42.666 42.059 -0.154 0.000 1.795 236 L HN 0.437 nan 8.230 nan 0.000 0.467 237 N N 3.017 121.321 118.700 -0.661 0.000 2.458 237 N HA 0.530 5.271 4.740 0.001 0.000 0.270 237 N C -1.014 174.064 175.510 -0.720 0.000 1.102 237 N CA -0.132 52.296 53.050 -1.036 0.000 0.967 237 N CB 1.994 38.930 38.487 -2.585 0.000 1.078 237 N HN 0.372 nan 8.380 nan 0.000 0.471 238 V N 4.094 123.707 119.914 -0.501 0.000 2.334 238 V HA 0.240 4.360 4.120 0.001 0.000 0.281 238 V C 0.150 176.033 176.094 -0.352 0.000 1.016 238 V CA -0.810 61.309 62.300 -0.302 0.000 0.832 238 V CB 1.835 33.548 31.823 -0.182 0.000 0.999 238 V HN 0.433 nan 8.190 nan 0.000 0.439 239 L N 7.199 128.250 121.223 -0.286 0.000 2.257 239 L HA 0.582 4.922 4.340 0.001 0.000 0.290 239 L C -0.592 176.071 176.870 -0.345 0.000 1.044 239 L CA 0.003 54.575 54.840 -0.446 0.000 0.810 239 L CB 1.603 43.291 42.059 -0.619 0.000 1.193 239 L HN 0.430 nan 8.230 nan 0.000 0.425 240 V N 5.611 125.297 119.914 -0.379 0.000 2.364 240 V HA 0.345 4.465 4.120 0.001 0.000 0.272 240 V C 0.333 176.275 176.094 -0.252 0.000 1.036 240 V CA -0.747 61.413 62.300 -0.233 0.000 0.880 240 V CB 1.305 33.000 31.823 -0.214 0.000 0.991 240 V HN 0.683 nan 8.190 nan 0.000 0.460 241 E N 3.073 123.158 120.200 -0.191 0.000 2.277 241 E HA 0.613 4.964 4.350 0.001 0.000 0.274 241 E C 0.053 176.448 176.600 -0.340 0.000 1.022 241 E CA -0.096 56.185 56.400 -0.198 0.000 0.853 241 E CB 2.081 31.770 29.700 -0.018 0.000 1.086 241 E HN 0.863 nan 8.360 nan 0.000 0.397 242 T N -0.103 114.222 114.554 -0.381 0.000 2.933 242 T HA 0.721 5.072 4.350 0.001 0.000 0.305 242 T C -1.003 173.412 174.700 -0.476 0.000 1.092 242 T CA -0.833 60.947 62.100 -0.533 0.000 1.008 242 T CB 0.823 69.562 68.868 -0.215 0.000 1.102 242 T HN 0.407 nan 8.240 nan 0.000 0.469 243 Y N 0.130 120.206 120.300 -0.374 0.000 2.677 243 Y HA 0.721 5.272 4.550 0.001 0.000 0.334 243 Y C -0.231 175.307 175.900 -0.603 0.000 1.196 243 Y CA -2.617 55.192 58.100 -0.485 0.000 1.059 243 Y CB 0.092 38.167 38.460 -0.641 0.000 1.315 243 Y HN 0.654 nan 8.280 nan 0.000 0.455 244 F N -2.333 117.700 119.950 0.138 0.000 2.308 244 F HA 0.030 4.557 4.527 0.001 0.000 0.527 244 F C 0.277 176.089 175.800 0.019 0.000 0.519 244 F CA 0.281 58.301 58.000 0.034 0.000 1.556 244 F CB -1.737 37.231 39.000 -0.052 0.000 2.280 244 F HN 1.262 nan 8.300 nan 0.000 0.256 245 A N -0.451 122.468 122.820 0.164 0.000 2.536 245 A HA 0.568 4.889 4.320 0.001 0.000 0.293 245 A C -1.035 176.581 177.584 0.053 0.000 1.119 245 A CA -0.209 51.886 52.037 0.097 0.000 0.654 245 A CB 0.887 19.937 19.000 0.084 0.000 1.291 245 A HN 0.229 nan 8.150 nan 0.000 0.439 246 D N 0.061 120.473 120.400 0.020 0.000 2.329 246 D HA 0.426 5.066 4.640 0.001 0.000 0.246 246 D C -0.750 175.533 176.300 -0.029 0.000 1.111 246 D CA -0.080 53.909 54.000 -0.019 0.000 0.941 246 D CB 0.962 41.730 40.800 -0.053 0.000 1.169 246 D HN 0.192 nan 8.370 nan 0.000 0.441 247 I N 1.832 122.372 120.570 -0.051 0.000 2.342 247 I HA 0.218 4.389 4.170 0.001 0.000 0.291 247 I C -2.067 174.016 176.117 -0.057 0.000 1.010 247 I CA -2.332 58.949 61.300 -0.031 0.000 1.308 247 I CB 1.044 39.068 38.000 0.040 0.000 1.400 247 I HN 0.233 nan 8.210 nan 0.000 0.488 248 P HA 0.064 nan 4.420 nan 0.000 0.269 248 P C 0.203 177.486 177.300 -0.029 0.000 1.209 248 P CA -0.069 63.005 63.100 -0.045 0.000 0.776 248 P CB 0.710 32.389 31.700 -0.035 0.000 0.876 249 A N 2.504 125.298 122.820 -0.043 0.000 1.940 249 A HA -0.236 4.084 4.320 0.001 0.000 0.219 249 A C 2.042 179.643 177.584 0.028 0.000 1.176 249 A CA 1.597 53.624 52.037 -0.017 0.000 0.631 249 A CB -0.910 18.065 19.000 -0.041 0.000 0.814 249 A HN 0.490 nan 8.150 nan 0.000 0.446 250 E N -0.143 120.055 120.200 -0.003 0.000 2.028 250 E HA -0.070 4.281 4.350 0.001 0.000 0.191 250 E C 2.386 178.970 176.600 -0.026 0.000 0.988 250 E CA 1.264 57.657 56.400 -0.012 0.000 0.799 250 E CB -0.634 29.055 29.700 -0.018 0.000 0.755 250 E HN 0.506 nan 8.360 nan 0.000 0.447 251 A N 0.135 122.934 122.820 -0.035 0.000 2.024 251 A HA -0.218 4.102 4.320 0.001 0.000 0.220 251 A C 2.141 179.678 177.584 -0.078 0.000 1.164 251 A CA 1.485 53.470 52.037 -0.087 0.000 0.643 251 A CB -0.789 18.153 19.000 -0.098 0.000 0.806 251 A HN 0.379 nan 8.150 nan 0.000 0.451 252 Y N 0.356 120.566 120.300 -0.149 0.000 2.242 252 Y HA -0.127 4.423 4.550 0.001 0.000 0.291 252 Y C 2.235 178.020 175.900 -0.191 0.000 1.137 252 Y CA 1.981 59.980 58.100 -0.169 0.000 1.181 252 Y CB -0.218 38.144 38.460 -0.164 0.000 0.989 252 Y HN 0.276 nan 8.280 nan 0.000 0.527 253 K N -0.775 119.542 120.400 -0.138 0.000 1.985 253 K HA -0.153 4.168 4.320 0.001 0.000 0.210 253 K C 2.013 178.465 176.600 -0.246 0.000 1.047 253 K CA 2.162 58.328 56.287 -0.201 0.000 0.932 253 K CB -0.444 32.003 32.500 -0.088 0.000 0.716 253 K HN 0.231 nan 8.250 nan 0.000 0.439 254 T N 2.500 116.947 114.554 -0.179 0.000 2.665 254 T HA -0.210 4.140 4.350 0.001 0.000 0.268 254 T C 1.698 176.258 174.700 -0.234 0.000 1.035 254 T CA 1.241 63.244 62.100 -0.161 0.000 1.151 254 T CB -0.279 68.516 68.868 -0.122 0.000 0.862 254 T HN 0.158 nan 8.240 nan 0.000 0.438 255 L N 1.166 122.199 121.223 -0.317 0.000 1.932 255 L HA -0.151 4.190 4.340 0.001 0.000 0.217 255 L C 2.731 179.330 176.870 -0.451 0.000 1.077 255 L CA 2.326 56.953 54.840 -0.355 0.000 0.765 255 L CB -1.118 40.733 42.059 -0.346 0.000 0.888 255 L HN 0.446 nan 8.230 nan 0.000 0.433 256 T N -3.287 110.770 114.554 -0.829 0.000 3.202 256 T HA -0.069 4.282 4.350 0.001 0.000 0.267 256 T C 0.983 175.382 174.700 -0.501 0.000 1.183 256 T CA 0.834 62.287 62.100 -1.079 0.000 1.055 256 T CB -0.598 67.515 68.868 -1.258 0.000 0.898 256 T HN 0.563 nan 8.240 nan 0.000 0.555 257 S N -0.661 114.861 115.700 -0.297 0.000 3.031 257 S HA 0.427 4.898 4.470 0.001 0.000 0.253 257 S C 0.085 174.633 174.600 -0.088 0.000 0.996 257 S CA -0.855 57.248 58.200 -0.161 0.000 1.098 257 S CB -0.264 62.840 63.200 -0.160 0.000 1.042 257 S HN 0.422 nan 8.310 nan 0.000 0.593 258 L N 1.978 123.156 121.223 -0.076 0.000 2.436 258 L HA 0.435 4.775 4.340 0.001 0.000 0.265 258 L C 0.375 177.242 176.870 -0.005 0.000 1.168 258 L CA -0.592 54.206 54.840 -0.071 0.000 0.815 258 L CB 0.474 42.374 42.059 -0.266 0.000 1.109 258 L HN 0.030 nan 8.230 nan 0.000 0.462 259 K N 1.245 121.681 120.400 0.059 0.000 2.185 259 K HA 0.257 4.577 4.320 0.001 0.000 0.271 259 K C 0.968 177.607 176.600 0.064 0.000 1.013 259 K CA 0.523 56.843 56.287 0.055 0.000 0.943 259 K CB 0.879 33.414 32.500 0.058 0.000 0.998 259 K HN 0.835 nan 8.250 nan 0.000 0.468 260 G N 0.711 109.513 108.800 0.003 0.000 2.353 260 G HA2 -0.295 3.665 3.960 0.001 0.000 0.258 260 G HA3 -0.295 3.665 3.960 0.001 0.000 0.258 260 G C 0.231 175.081 174.900 -0.083 0.000 1.013 260 G CA 0.501 45.582 45.100 -0.031 0.000 0.622 260 G HN 0.410 nan 8.290 nan 0.000 0.535 261 V N 2.068 121.931 119.914 -0.086 0.000 2.529 261 V HA 0.432 4.552 4.120 0.001 0.000 0.292 261 V C 1.644 177.529 176.094 -0.347 0.000 1.028 261 V CA 1.406 63.557 62.300 -0.249 0.000 1.074 261 V CB 1.203 32.849 31.823 -0.295 0.000 0.958 261 V HN 0.802 nan 8.190 nan 0.000 0.481 262 T N 0.849 115.147 114.554 -0.426 0.000 2.975 262 T HA 0.569 4.919 4.350 0.001 0.000 0.257 262 T C 0.329 174.854 174.700 -0.292 0.000 1.003 262 T CA 0.476 62.394 62.100 -0.304 0.000 0.932 262 T CB 0.521 69.264 68.868 -0.207 0.000 1.087 262 T HN 0.902 nan 8.240 nan 0.000 0.512 263 A N 0.627 123.084 122.820 -0.606 0.000 2.515 263 A HA 0.806 5.127 4.320 0.001 0.000 0.296 263 A C -1.872 175.085 177.584 -1.045 0.000 1.094 263 A CA -0.918 50.855 52.037 -0.439 0.000 0.718 263 A CB 1.258 20.163 19.000 -0.159 0.000 1.307 263 A HN 0.289 nan 8.150 nan 0.000 0.408 264 F N 0.108 119.978 119.950 -0.135 0.000 2.562 264 F HA 0.562 5.089 4.527 0.001 0.000 0.319 264 F C 0.696 176.091 175.800 -0.675 0.000 1.154 264 F CA -0.602 57.142 58.000 -0.427 0.000 0.931 264 F CB 2.417 41.200 39.000 -0.362 0.000 1.198 264 F HN 0.736 nan 8.300 nan 0.000 0.444 265 G N 2.961 111.435 108.800 -0.544 0.000 2.329 265 G HA2 0.558 4.518 3.960 0.001 0.000 0.309 265 G HA3 0.558 4.518 3.960 0.001 0.000 0.309 265 G C -1.428 173.220 174.900 -0.421 0.000 1.110 265 G CA -0.184 44.674 45.100 -0.402 0.000 0.923 265 G HN 0.294 nan 8.290 nan 0.000 0.430 266 F N 1.171 121.225 119.950 0.173 0.000 2.469 266 F HA 0.311 4.839 4.527 0.001 0.000 0.332 266 F C 0.184 176.054 175.800 0.118 0.000 1.103 266 F CA -1.919 56.157 58.000 0.126 0.000 0.979 266 F CB 2.212 41.295 39.000 0.138 0.000 1.137 266 F HN 0.319 nan 8.300 nan 0.000 0.463 267 D N 4.008 124.583 120.400 0.292 0.000 2.374 267 D HA 0.155 4.796 4.640 0.001 0.000 0.240 267 D C 0.154 176.563 176.300 0.182 0.000 1.229 267 D CA 0.158 54.281 54.000 0.206 0.000 0.895 267 D CB 0.535 41.435 40.800 0.166 0.000 1.046 267 D HN 0.589 nan 8.370 nan 0.000 0.498 268 L N 3.575 124.900 121.223 0.170 0.000 2.728 268 L HA 0.120 4.461 4.340 0.001 0.000 0.235 268 L C 1.479 178.407 176.870 0.095 0.000 1.197 268 L CA -0.290 54.622 54.840 0.120 0.000 0.992 268 L CB 0.646 42.779 42.059 0.122 0.000 1.263 268 L HN 0.273 nan 8.230 nan 0.000 0.484 269 V N -0.710 119.269 119.914 0.109 0.000 2.743 269 V HA 0.052 4.173 4.120 0.001 0.000 0.237 269 V C 2.144 178.295 176.094 0.095 0.000 1.113 269 V CA 0.876 63.238 62.300 0.103 0.000 1.141 269 V CB 0.219 32.117 31.823 0.125 0.000 0.873 269 V HN 0.391 nan 8.190 nan 0.000 0.486 270 R N -0.022 120.546 120.500 0.112 0.000 2.290 270 R HA 0.203 4.544 4.340 0.001 0.000 0.197 270 R C 1.143 177.488 176.300 0.075 0.000 0.913 270 R CA 0.714 56.876 56.100 0.103 0.000 1.040 270 R CB 0.438 30.825 30.300 0.144 0.000 0.992 270 R HN 0.459 nan 8.270 nan 0.000 0.500 271 G N 0.805 109.648 108.800 0.071 0.000 4.959 271 G HA2 0.007 3.967 3.960 0.001 0.000 0.297 271 G HA3 0.007 3.967 3.960 0.001 0.000 0.297 271 G C 0.746 175.646 174.900 0.000 0.000 1.351 271 G CA -0.308 44.812 45.100 0.034 0.000 1.016 271 G HN 0.134 nan 8.290 nan 0.000 0.592 272 T N -2.059 112.494 114.554 -0.002 0.000 3.007 272 T HA -0.039 4.312 4.350 0.001 0.000 0.270 272 T C 1.854 176.511 174.700 -0.071 0.000 1.107 272 T CA 0.800 62.886 62.100 -0.024 0.000 1.118 272 T CB 0.052 68.915 68.868 -0.009 0.000 0.889 272 T HN 0.334 nan 8.240 nan 0.000 0.506 273 K N 0.990 121.345 120.400 -0.076 0.000 2.515 273 K HA -0.046 4.274 4.320 0.001 0.000 0.196 273 K C 1.552 178.049 176.600 -0.172 0.000 1.038 273 K CA 0.996 57.219 56.287 -0.107 0.000 0.967 273 K CB -0.257 32.190 32.500 -0.089 0.000 0.780 273 K HN 0.371 nan 8.250 nan 0.000 0.483 274 T N 1.150 115.581 114.554 -0.205 0.000 3.014 274 T HA 0.017 4.368 4.350 0.001 0.000 0.263 274 T C 1.622 176.088 174.700 -0.391 0.000 1.078 274 T CA 0.305 62.191 62.100 -0.356 0.000 1.135 274 T CB 0.052 68.676 68.868 -0.406 0.000 0.895 274 T HN 0.168 nan 8.240 nan 0.000 0.480 275 L N 1.309 122.383 121.223 -0.248 0.000 2.089 275 L HA -0.216 4.124 4.340 0.001 0.000 0.213 275 L C 2.389 179.136 176.870 -0.204 0.000 1.079 275 L CA 1.300 56.024 54.840 -0.195 0.000 0.758 275 L CB -0.649 41.343 42.059 -0.112 0.000 0.891 275 L HN 0.261 nan 8.230 nan 0.000 0.433 276 D N 0.148 120.423 120.400 -0.207 0.000 2.077 276 D HA -0.184 4.456 4.640 0.001 0.000 0.193 276 D C 2.352 178.502 176.300 -0.251 0.000 0.989 276 D CA 1.217 55.105 54.000 -0.186 0.000 0.831 276 D CB -0.475 40.226 40.800 -0.164 0.000 0.979 276 D HN 0.275 nan 8.370 nan 0.000 0.449 277 L N 0.781 121.761 121.223 -0.404 0.000 2.064 277 L HA -0.216 4.124 4.340 0.001 0.000 0.216 277 L C 2.650 179.185 176.870 -0.558 0.000 1.077 277 L CA 0.943 55.395 54.840 -0.646 0.000 0.766 277 L CB -0.607 40.734 42.059 -1.197 0.000 0.890 277 L HN -0.042 nan 8.230 nan 0.000 0.435 278 V N -0.565 119.091 119.914 -0.429 0.000 2.407 278 V HA -0.219 3.901 4.120 0.001 0.000 0.245 278 V C 2.440 178.533 176.094 -0.001 0.000 1.041 278 V CA 1.544 63.828 62.300 -0.026 0.000 1.040 278 V CB -0.427 31.356 31.823 -0.066 0.000 0.671 278 V HN 0.376 nan 8.190 nan 0.000 0.455 279 K N 0.572 120.921 120.400 -0.085 0.000 2.113 279 K HA -0.149 4.171 4.320 0.001 0.000 0.208 279 K C 1.838 178.425 176.600 -0.022 0.000 1.047 279 K CA 1.635 57.889 56.287 -0.054 0.000 0.928 279 K CB -0.313 32.143 32.500 -0.072 0.000 0.716 279 K HN 0.484 nan 8.250 nan 0.000 0.446 280 A N 0.594 123.393 122.820 -0.035 0.000 2.307 280 A HA 0.301 4.622 4.320 0.001 0.000 0.218 280 A C 0.360 177.971 177.584 0.045 0.000 1.228 280 A CA 0.525 52.556 52.037 -0.010 0.000 0.857 280 A CB 0.337 19.311 19.000 -0.043 0.000 0.897 280 A HN 0.292 nan 8.150 nan 0.000 0.495 281 G N -1.208 107.659 108.800 0.111 0.000 2.088 281 G HA2 0.386 4.346 3.960 0.001 0.000 0.222 281 G HA3 0.386 4.346 3.960 0.001 0.000 0.222 281 G C -1.393 173.700 174.900 0.321 0.000 1.690 281 G CA -0.592 44.610 45.100 0.170 0.000 0.923 281 G HN 0.517 nan 8.290 nan 0.000 0.730 282 F N 2.525 122.519 119.950 0.073 0.000 2.619 282 F HA 0.769 5.296 4.527 0.001 0.000 0.308 282 F C -2.118 173.691 175.800 0.015 0.000 1.097 282 F CA -1.551 56.487 58.000 0.063 0.000 0.953 282 F CB 2.040 41.105 39.000 0.109 0.000 1.287 282 F HN 0.500 nan 8.300 nan 0.000 0.446 283 P HA 0.127 nan 4.420 nan 0.000 0.272 283 P C 0.066 177.393 177.300 0.045 0.000 1.248 283 P CA -0.065 62.900 63.100 -0.225 0.000 0.799 283 P CB 0.534 32.043 31.700 -0.318 0.000 0.997 284 E N -0.027 120.199 120.200 0.042 0.000 2.004 284 E HA -0.039 4.311 4.350 0.001 0.000 0.194 284 E C 1.277 177.934 176.600 0.096 0.000 0.981 284 E CA 0.880 57.328 56.400 0.081 0.000 0.842 284 E CB -1.105 28.615 29.700 0.033 0.000 0.796 284 E HN 0.448 nan 8.360 nan 0.000 0.477 285 G N 1.578 110.397 108.800 0.032 0.000 3.639 285 G HA2 0.091 4.051 3.960 0.001 0.000 0.279 285 G HA3 0.091 4.051 3.960 0.001 0.000 0.279 285 G C -0.250 174.606 174.900 -0.073 0.000 1.312 285 G CA -0.439 44.644 45.100 -0.027 0.000 1.355 285 G HN -0.093 nan 8.290 nan 0.000 0.595 286 K N 0.590 121.035 120.400 0.075 0.000 2.164 286 K HA 0.378 4.698 4.320 0.001 0.000 0.258 286 K C -0.585 176.203 176.600 0.312 0.000 0.951 286 K CA -0.958 55.422 56.287 0.155 0.000 0.844 286 K CB 1.426 34.097 32.500 0.284 0.000 1.099 286 K HN 0.222 nan 8.250 nan 0.000 0.435 287 Y N 0.868 121.378 120.300 0.351 0.000 2.314 287 Y HA 0.298 4.848 4.550 0.001 0.000 0.334 287 Y C 0.679 176.905 175.900 0.544 0.000 1.266 287 Y CA -0.399 57.944 58.100 0.406 0.000 1.391 287 Y CB 0.680 39.433 38.460 0.488 0.000 1.306 287 Y HN 0.314 nan 8.280 nan 0.000 0.558 288 L N 3.267 124.829 121.223 0.566 0.000 2.415 288 L HA 0.443 4.784 4.340 0.001 0.000 0.268 288 L C -1.811 175.283 176.870 0.373 0.000 0.984 288 L CA -0.687 54.435 54.840 0.470 0.000 0.853 288 L CB 0.317 42.473 42.059 0.161 0.000 1.215 288 L HN 0.463 nan 8.230 nan 0.000 0.419 289 F N 3.910 123.886 119.950 0.044 0.000 2.404 289 F HA 0.358 4.885 4.527 0.001 0.000 0.359 289 F C 1.019 176.868 175.800 0.082 0.000 1.134 289 F CA -0.577 57.419 58.000 -0.006 0.000 1.160 289 F CB 1.168 40.060 39.000 -0.180 0.000 1.186 289 F HN 0.502 nan 8.300 nan 0.000 0.526 290 A N 3.201 126.141 122.820 0.200 0.000 2.376 290 A HA 0.509 4.829 4.320 0.001 0.000 0.298 290 A C 0.916 178.612 177.584 0.187 0.000 1.271 290 A CA -0.172 51.979 52.037 0.190 0.000 0.926 290 A CB -0.492 18.576 19.000 0.114 0.000 1.141 290 A HN 0.888 nan 8.150 nan 0.000 0.539 291 G N 2.014 110.944 108.800 0.217 0.000 2.915 291 G HA2 0.389 4.349 3.960 0.001 0.000 0.298 291 G HA3 0.389 4.349 3.960 0.001 0.000 0.298 291 G C 0.624 175.612 174.900 0.146 0.000 0.837 291 G CA 0.362 45.577 45.100 0.191 0.000 1.752 291 G HN 1.280 nan 8.290 nan 0.000 0.526 292 V N 0.325 120.307 119.914 0.112 0.000 3.644 292 V HA 0.199 4.320 4.120 0.001 0.000 0.267 292 V C 0.729 176.865 176.094 0.071 0.000 1.277 292 V CA 0.010 62.360 62.300 0.085 0.000 1.096 292 V CB 0.164 32.023 31.823 0.061 0.000 0.828 292 V HN 0.161 nan 8.190 nan 0.000 0.446 293 V N 3.005 122.959 119.914 0.067 0.000 2.304 293 V HA 0.299 4.420 4.120 0.001 0.000 0.262 293 V C 0.120 176.265 176.094 0.085 0.000 1.061 293 V CA -0.369 61.965 62.300 0.057 0.000 0.872 293 V CB 0.497 32.335 31.823 0.024 0.000 1.077 293 V HN 0.423 nan 8.190 nan 0.000 0.480 294 D N 4.587 125.050 120.400 0.105 0.000 2.518 294 D HA -0.037 4.603 4.640 0.001 0.000 0.270 294 D C 1.274 177.636 176.300 0.103 0.000 1.338 294 D CA 0.788 54.862 54.000 0.123 0.000 0.983 294 D CB 1.002 41.893 40.800 0.152 0.000 1.126 294 D HN 0.642 nan 8.370 nan 0.000 0.543 295 G N 3.770 112.632 108.800 0.103 0.000 3.233 295 G HA2 -0.075 3.886 3.960 0.001 0.000 0.227 295 G HA3 -0.075 3.886 3.960 0.001 0.000 0.227 295 G C 1.284 176.254 174.900 0.117 0.000 1.175 295 G CA -0.311 44.834 45.100 0.076 0.000 0.781 295 G HN 0.447 nan 8.290 nan 0.000 0.542 296 R N -0.884 119.708 120.500 0.153 0.000 2.307 296 R HA 0.177 4.517 4.340 0.001 0.000 0.200 296 R C 0.635 177.065 176.300 0.218 0.000 0.893 296 R CA -0.137 56.083 56.100 0.199 0.000 1.042 296 R CB 0.216 30.636 30.300 0.199 0.000 1.059 296 R HN 0.239 nan 8.270 nan 0.000 0.530 297 N N -0.267 118.534 118.700 0.168 0.000 3.117 297 N HA 0.201 4.942 4.740 0.001 0.000 0.332 297 N C -0.059 175.335 175.510 -0.192 0.000 1.385 297 N CA -0.149 53.003 53.050 0.169 0.000 0.683 297 N CB 0.790 39.406 38.487 0.214 0.000 1.272 297 N HN -0.014 nan 8.380 nan 0.000 0.522 298 I N -0.476 119.762 120.570 -0.553 0.000 4.481 298 I HA 0.321 4.491 4.170 0.001 0.000 0.353 298 I C -1.229 174.479 176.117 -0.682 0.000 1.296 298 I CA -0.229 60.564 61.300 -0.844 0.000 1.228 298 I CB 0.153 37.293 38.000 -1.432 0.000 1.725 298 I HN 0.324 nan 8.210 nan 0.000 0.608 299 W N 1.354 122.683 121.300 0.048 0.000 2.359 299 W HA 0.727 5.388 4.660 0.001 0.000 0.344 299 W C 0.864 177.452 176.519 0.115 0.000 1.170 299 W CA -0.835 56.567 57.345 0.096 0.000 1.296 299 W CB 0.443 29.949 29.460 0.078 0.000 1.197 299 W HN 0.027 nan 8.180 nan 0.000 0.618 300 A N 2.297 125.355 122.820 0.397 0.000 2.429 300 A HA 0.087 4.407 4.320 0.001 0.000 0.242 300 A C 0.195 177.961 177.584 0.304 0.000 1.088 300 A CA -0.266 51.953 52.037 0.304 0.000 0.784 300 A CB 0.050 19.202 19.000 0.253 0.000 1.038 300 A HN 0.721 nan 8.150 nan 0.000 0.501 301 N N 0.161 119.075 118.700 0.356 0.000 2.492 301 N HA 0.042 4.782 4.740 0.001 0.000 0.289 301 N C -1.113 174.633 175.510 0.392 0.000 1.133 301 N CA -0.393 52.839 53.050 0.303 0.000 0.961 301 N CB 1.369 39.950 38.487 0.156 0.000 1.186 301 N HN 0.602 nan 8.380 nan 0.000 0.493 302 D N 3.634 124.185 120.400 0.253 0.000 2.688 302 D HA 0.023 4.664 4.640 0.001 0.000 0.228 302 D C 0.989 177.476 176.300 0.313 0.000 1.116 302 D CA -0.419 53.716 54.000 0.225 0.000 1.023 302 D CB -0.618 40.256 40.800 0.123 0.000 1.100 302 D HN 0.374 nan 8.370 nan 0.000 0.487 303 F N 1.805 121.770 119.950 0.024 0.000 2.064 303 F HA -0.384 4.144 4.527 0.001 0.000 0.293 303 F C 2.531 178.447 175.800 0.194 0.000 1.086 303 F CA 1.530 59.559 58.000 0.048 0.000 1.242 303 F CB -1.341 37.562 39.000 -0.162 0.000 0.970 303 F HN 0.388 nan 8.300 nan 0.000 0.494 304 A N -0.130 122.932 122.820 0.403 0.000 1.849 304 A HA -0.123 4.198 4.320 0.001 0.000 0.217 304 A C 2.506 180.199 177.584 0.182 0.000 1.202 304 A CA 2.738 54.940 52.037 0.275 0.000 0.629 304 A CB -1.533 17.578 19.000 0.186 0.000 0.834 304 A HN 0.398 nan 8.150 nan 0.000 0.447 305 A N -0.686 122.221 122.820 0.144 0.000 1.884 305 A HA -0.203 4.117 4.320 0.001 0.000 0.219 305 A C 2.463 180.103 177.584 0.092 0.000 1.197 305 A CA 2.617 54.712 52.037 0.097 0.000 0.637 305 A CB -1.272 17.778 19.000 0.082 0.000 0.827 305 A HN 0.523 nan 8.150 nan 0.000 0.450 306 S N -0.285 115.479 115.700 0.106 0.000 2.368 306 S HA -0.211 4.260 4.470 0.001 0.000 0.226 306 S C 1.853 176.501 174.600 0.079 0.000 1.044 306 S CA 1.739 59.984 58.200 0.076 0.000 1.062 306 S CB -0.600 62.625 63.200 0.041 0.000 0.931 306 S HN 0.488 nan 8.310 nan 0.000 0.440 307 L N 1.043 122.336 121.223 0.117 0.000 2.042 307 L HA -0.173 4.167 4.340 0.001 0.000 0.210 307 L C 2.621 179.527 176.870 0.059 0.000 1.076 307 L CA 1.161 56.059 54.840 0.096 0.000 0.749 307 L CB -0.617 41.516 42.059 0.124 0.000 0.893 307 L HN 0.268 nan 8.230 nan 0.000 0.432 308 S N -0.840 114.896 115.700 0.060 0.000 2.351 308 S HA -0.221 4.249 4.470 0.001 0.000 0.220 308 S C 1.954 176.570 174.600 0.028 0.000 1.035 308 S CA 2.002 60.224 58.200 0.037 0.000 1.031 308 S CB -0.487 62.736 63.200 0.037 0.000 0.928 308 S HN 0.465 nan 8.310 nan 0.000 0.433 309 T N 3.292 117.866 114.554 0.033 0.000 2.607 309 T HA -0.081 4.269 4.350 0.001 0.000 0.267 309 T C 1.818 176.531 174.700 0.021 0.000 1.049 309 T CA 1.429 63.543 62.100 0.024 0.000 1.162 309 T CB -0.702 68.186 68.868 0.034 0.000 0.863 309 T HN 0.243 nan 8.240 nan 0.000 0.424 310 L N 0.455 121.696 121.223 0.030 0.000 2.079 310 L HA -0.183 4.157 4.340 0.001 0.000 0.210 310 L C 2.887 179.765 176.870 0.014 0.000 1.081 310 L CA 1.369 56.224 54.840 0.025 0.000 0.752 310 L CB -0.578 41.500 42.059 0.032 0.000 0.896 310 L HN 0.274 nan 8.230 nan 0.000 0.433 311 Q N -0.179 119.631 119.800 0.015 0.000 2.016 311 Q HA -0.160 4.181 4.340 0.001 0.000 0.200 311 Q C 2.426 178.426 176.000 -0.001 0.000 0.978 311 Q CA 2.009 57.817 55.803 0.007 0.000 0.833 311 Q CB -0.280 28.464 28.738 0.009 0.000 0.895 311 Q HN 0.500 nan 8.270 nan 0.000 0.427 312 A N 0.201 123.019 122.820 -0.003 0.000 1.940 312 A HA -0.196 4.125 4.320 0.001 0.000 0.219 312 A C 2.037 179.608 177.584 -0.023 0.000 1.176 312 A CA 1.276 53.306 52.037 -0.012 0.000 0.631 312 A CB -0.818 18.174 19.000 -0.013 0.000 0.814 312 A HN 0.399 nan 8.150 nan 0.000 0.446 313 L N -0.801 120.408 121.223 -0.023 0.000 2.012 313 L HA -0.211 4.129 4.340 0.001 0.000 0.210 313 L C 2.647 179.492 176.870 -0.041 0.000 1.073 313 L CA 1.645 56.460 54.840 -0.042 0.000 0.748 313 L CB -0.600 41.447 42.059 -0.021 0.000 0.891 313 L HN 0.436 nan 8.230 nan 0.000 0.431 314 E N 0.015 120.203 120.200 -0.019 0.000 2.219 314 E HA -0.209 4.141 4.350 0.001 0.000 0.198 314 E C 2.026 178.617 176.600 -0.015 0.000 0.998 314 E CA 1.115 57.508 56.400 -0.012 0.000 0.818 314 E CB -0.159 29.540 29.700 -0.002 0.000 0.741 314 E HN 0.610 nan 8.360 nan 0.000 0.477 315 G N 1.856 110.646 108.800 -0.018 0.000 2.484 315 G HA2 -0.237 3.723 3.960 0.001 0.000 0.215 315 G HA3 -0.237 3.723 3.960 0.001 0.000 0.215 315 G C 1.547 176.436 174.900 -0.018 0.000 1.219 315 G CA 0.706 45.797 45.100 -0.015 0.000 0.791 315 G HN 0.122 nan 8.290 nan 0.000 0.550 316 I N 0.563 121.112 120.570 -0.035 0.000 2.145 316 I HA -0.159 4.012 4.170 0.001 0.000 0.244 316 I C 2.150 178.253 176.117 -0.024 0.000 1.075 316 I CA 1.344 62.621 61.300 -0.039 0.000 1.332 316 I CB -1.273 36.668 38.000 -0.099 0.000 1.033 316 I HN 0.148 nan 8.210 nan 0.000 0.410 317 V N -1.548 118.344 119.914 -0.037 0.000 5.243 317 V HA 0.617 4.738 4.120 0.001 0.000 0.129 317 V C 1.585 177.676 176.094 -0.005 0.000 0.924 317 V CA 0.322 62.615 62.300 -0.011 0.000 1.377 317 V CB -0.465 31.351 31.823 -0.013 0.000 2.235 317 V HN 0.276 nan 8.190 nan 0.000 0.454 318 G N 0.628 109.426 108.800 -0.003 0.000 2.212 318 G HA2 -0.313 3.647 3.960 0.001 0.000 0.266 318 G HA3 -0.313 3.647 3.960 0.001 0.000 0.266 318 G C 0.507 175.418 174.900 0.017 0.000 0.978 318 G CA 0.682 45.787 45.100 0.008 0.000 0.632 318 G HN 0.538 nan 8.290 nan 0.000 0.537 319 K N 1.067 121.476 120.400 0.015 0.000 3.277 319 K HA 0.265 4.585 4.320 0.001 0.000 0.291 319 K C 0.505 177.123 176.600 0.030 0.000 0.994 319 K CA 0.358 56.656 56.287 0.018 0.000 1.147 319 K CB -0.056 32.451 32.500 0.012 0.000 1.185 319 K HN 0.375 nan 8.250 nan 0.000 0.422 320 D N 0.045 120.474 120.400 0.048 0.000 3.099 320 D HA -0.131 4.510 4.640 0.001 0.000 0.213 320 D C 0.337 176.724 176.300 0.145 0.000 1.121 320 D CA 0.819 54.874 54.000 0.092 0.000 0.951 320 D CB -0.692 40.167 40.800 0.099 0.000 1.102 320 D HN 0.258 nan 8.370 nan 0.000 0.423 321 K N -0.118 120.328 120.400 0.077 0.000 2.358 321 K HA 0.210 4.530 4.320 0.001 0.000 0.200 321 K C 0.671 177.387 176.600 0.193 0.000 1.030 321 K CA -0.250 56.069 56.287 0.054 0.000 1.097 321 K CB 1.162 33.593 32.500 -0.116 0.000 0.862 321 K HN 0.263 nan 8.250 nan 0.000 0.534 322 L N 2.221 123.509 121.223 0.109 0.000 2.265 322 L HA 0.357 4.697 4.340 0.001 0.000 0.289 322 L C -1.039 175.812 176.870 -0.031 0.000 1.033 322 L CA -0.441 54.425 54.840 0.044 0.000 0.814 322 L CB 1.194 43.262 42.059 0.016 0.000 1.203 322 L HN -0.273 nan 8.230 nan 0.000 0.423 323 V N 5.645 125.449 119.914 -0.182 0.000 2.555 323 V HA 0.403 4.523 4.120 0.001 0.000 0.302 323 V C 0.177 176.157 176.094 -0.191 0.000 1.038 323 V CA -0.768 61.318 62.300 -0.356 0.000 0.887 323 V CB 2.221 33.365 31.823 -1.131 0.000 0.991 323 V HN 0.520 nan 8.190 nan 0.000 0.434 324 V N 3.594 123.464 119.914 -0.074 0.000 2.583 324 V HA 0.656 4.777 4.120 0.001 0.000 0.287 324 V C 0.369 176.515 176.094 0.087 0.000 1.051 324 V CA 0.267 62.576 62.300 0.015 0.000 1.010 324 V CB 1.331 33.161 31.823 0.010 0.000 0.988 324 V HN 0.968 nan 8.190 nan 0.000 0.478 325 S N 2.202 117.993 115.700 0.151 0.000 2.625 325 S HA 0.601 5.071 4.470 0.001 0.000 0.271 325 S C -0.302 174.401 174.600 0.172 0.000 1.161 325 S CA -0.222 58.131 58.200 0.255 0.000 0.820 325 S CB 2.072 65.605 63.200 0.555 0.000 1.137 325 S HN 1.014 nan 8.310 nan 0.000 0.470 326 T N 1.292 115.929 114.554 0.137 0.000 2.898 326 T HA 0.286 4.637 4.350 0.001 0.000 0.301 326 T C 1.671 176.453 174.700 0.136 0.000 1.049 326 T CA 0.107 62.268 62.100 0.100 0.000 1.095 326 T CB 0.854 69.755 68.868 0.056 0.000 0.976 326 T HN 0.947 nan 8.240 nan 0.000 0.539 327 S N 0.342 116.117 115.700 0.125 0.000 2.419 327 S HA -0.029 4.442 4.470 0.001 0.000 0.233 327 S C 1.236 175.912 174.600 0.126 0.000 1.016 327 S CA 0.240 58.527 58.200 0.144 0.000 0.974 327 S CB -1.265 62.022 63.200 0.145 0.000 0.786 327 S HN 1.261 nan 8.310 nan 0.000 0.492 328 C N -1.120 118.221 119.300 0.069 0.000 3.266 328 C HA 0.763 5.223 4.460 0.001 0.000 0.369 328 C C 0.039 174.989 174.990 -0.067 0.000 1.580 328 C CA -0.572 58.388 59.018 -0.098 0.000 1.165 328 C CB 0.822 28.470 27.740 -0.153 0.000 1.835 328 C HN 0.255 nan 8.230 nan 0.000 0.433 329 S N -0.086 115.518 115.700 -0.160 0.000 2.549 329 S HA 0.289 4.760 4.470 0.001 0.000 0.286 329 S C 0.870 175.442 174.600 -0.046 0.000 1.314 329 S CA -0.455 57.692 58.200 -0.088 0.000 1.062 329 S CB -0.199 62.910 63.200 -0.152 0.000 0.865 329 S HN 0.649 nan 8.310 nan 0.000 0.498 330 L N 5.673 126.833 121.223 -0.106 0.000 2.633 330 L HA -0.031 4.310 4.340 0.001 0.000 0.235 330 L C 2.195 178.900 176.870 -0.276 0.000 1.163 330 L CA 0.143 54.880 54.840 -0.172 0.000 0.859 330 L CB -0.490 41.404 42.059 -0.274 0.000 0.973 330 L HN 0.685 nan 8.230 nan 0.000 0.451 331 L N 0.084 121.097 121.223 -0.351 0.000 2.261 331 L HA -0.214 4.127 4.340 0.001 0.000 0.216 331 L C 1.878 178.430 176.870 -0.530 0.000 1.114 331 L CA 1.834 56.370 54.840 -0.507 0.000 0.777 331 L CB -0.662 40.977 42.059 -0.701 0.000 0.910 331 L HN 0.470 nan 8.230 nan 0.000 0.440 332 H N -0.839 118.192 119.070 -0.065 0.000 2.524 332 H HA 0.203 4.760 4.556 0.001 0.000 0.280 332 H C 0.446 175.809 175.328 0.058 0.000 1.018 332 H CA 0.243 56.305 56.048 0.022 0.000 1.165 332 H CB 0.380 30.197 29.762 0.092 0.000 1.411 332 H HN 0.239 nan 8.280 nan 0.000 0.569 333 T N -0.416 114.154 114.554 0.026 0.000 2.858 333 T HA 0.692 5.042 4.350 0.001 0.000 0.285 333 T C -0.596 174.005 174.700 -0.165 0.000 1.052 333 T CA -0.362 61.707 62.100 -0.052 0.000 1.009 333 T CB 1.724 70.517 68.868 -0.126 0.000 1.241 333 T HN 0.243 nan 8.240 nan 0.000 0.542 334 A N 0.876 123.467 122.820 -0.381 0.000 2.252 334 A HA 0.672 4.992 4.320 0.001 0.000 0.305 334 A C 1.300 178.836 177.584 -0.080 0.000 1.097 334 A CA -0.462 51.409 52.037 -0.276 0.000 0.849 334 A CB 0.245 18.901 19.000 -0.573 0.000 1.142 334 A HN 0.684 nan 8.150 nan 0.000 0.499 335 V N 0.177 120.143 119.914 0.087 0.000 2.251 335 V HA -0.034 4.087 4.120 0.001 0.000 0.230 335 V C 0.533 176.759 176.094 0.220 0.000 1.032 335 V CA 1.524 63.888 62.300 0.107 0.000 0.997 335 V CB -0.522 31.371 31.823 0.117 0.000 0.643 335 V HN 0.796 nan 8.190 nan 0.000 0.462 336 D N 0.023 120.548 120.400 0.207 0.000 2.381 336 D HA 0.289 4.929 4.640 0.001 0.000 0.235 336 D C 0.240 176.416 176.300 -0.207 0.000 1.068 336 D CA -0.399 53.636 54.000 0.058 0.000 0.832 336 D CB 1.817 42.639 40.800 0.037 0.000 1.101 336 D HN 0.121 nan 8.370 nan 0.000 0.515 337 L N 4.534 125.474 121.223 -0.472 0.000 2.610 337 L HA 0.132 4.472 4.340 0.001 0.000 0.232 337 L C 1.059 177.665 176.870 -0.440 0.000 1.149 337 L CA 0.760 55.028 54.840 -0.954 0.000 0.872 337 L CB -0.154 41.387 42.059 -0.864 0.000 0.992 337 L HN 0.360 nan 8.230 nan 0.000 0.447 338 I N -0.090 120.339 120.570 -0.235 0.000 3.832 338 I HA 0.164 4.334 4.170 0.001 0.000 0.324 338 I C 0.346 176.402 176.117 -0.101 0.000 1.447 338 I CA 0.413 61.631 61.300 -0.138 0.000 1.242 338 I CB -1.054 36.901 38.000 -0.076 0.000 1.212 338 I HN 0.219 nan 8.210 nan 0.000 0.415 339 N N 0.324 118.947 118.700 -0.128 0.000 2.142 339 N HA 0.145 4.885 4.740 0.001 0.000 0.233 339 N C -0.643 174.826 175.510 -0.068 0.000 1.335 339 N CA -0.041 52.974 53.050 -0.058 0.000 0.837 339 N CB 0.585 39.070 38.487 -0.004 0.000 1.238 339 N HN 0.032 nan 8.380 nan 0.000 0.501 340 E N 0.458 120.569 120.200 -0.149 0.000 2.042 340 E HA 0.209 4.559 4.350 0.001 0.000 0.260 340 E C 0.715 177.255 176.600 -0.100 0.000 0.975 340 E CA -0.044 56.273 56.400 -0.138 0.000 0.799 340 E CB 0.729 30.266 29.700 -0.271 0.000 1.131 340 E HN 0.348 nan 8.360 nan 0.000 0.423 341 T N -0.225 114.298 114.554 -0.052 0.000 2.990 341 T HA -0.026 4.325 4.350 0.001 0.000 0.237 341 T C 1.482 176.163 174.700 -0.033 0.000 1.009 341 T CA -0.001 62.074 62.100 -0.041 0.000 1.195 341 T CB 0.086 68.940 68.868 -0.023 0.000 0.885 341 T HN 0.104 nan 8.240 nan 0.000 0.424 342 K N 1.917 122.310 120.400 -0.011 0.000 2.127 342 K HA 0.020 4.340 4.320 0.001 0.000 0.208 342 K C 1.129 177.720 176.600 -0.015 0.000 1.047 342 K CA 0.456 56.742 56.287 -0.002 0.000 0.927 342 K CB -1.346 31.168 32.500 0.024 0.000 0.716 342 K HN 0.434 nan 8.250 nan 0.000 0.450 343 L N 4.073 125.280 121.223 -0.026 0.000 2.499 343 L HA -0.042 4.298 4.340 0.001 0.000 0.273 343 L C 1.076 177.894 176.870 -0.086 0.000 1.195 343 L CA -0.326 54.481 54.840 -0.054 0.000 0.882 343 L CB 0.196 42.214 42.059 -0.069 0.000 1.133 343 L HN 0.314 nan 8.230 nan 0.000 0.483 344 D N 1.989 122.327 120.400 -0.104 0.000 2.335 344 D HA -0.091 4.549 4.640 0.001 0.000 0.236 344 D C 0.190 176.397 176.300 -0.155 0.000 1.297 344 D CA -0.377 53.551 54.000 -0.120 0.000 0.906 344 D CB 0.924 41.642 40.800 -0.136 0.000 1.164 344 D HN 0.443 nan 8.370 nan 0.000 0.469 345 D N -0.174 120.135 120.400 -0.153 0.000 2.087 345 D HA -0.177 4.463 4.640 0.001 0.000 0.218 345 D C 1.792 177.935 176.300 -0.262 0.000 0.982 345 D CA 1.591 55.491 54.000 -0.167 0.000 0.900 345 D CB -0.420 40.302 40.800 -0.131 0.000 1.072 345 D HN 0.758 nan 8.370 nan 0.000 0.459 346 E N -0.064 119.944 120.200 -0.319 0.000 2.276 346 E HA -0.301 4.049 4.350 0.001 0.000 0.226 346 E C 2.073 178.093 176.600 -0.967 0.000 1.090 346 E CA 1.498 57.561 56.400 -0.562 0.000 0.930 346 E CB -0.150 29.223 29.700 -0.545 0.000 0.791 346 E HN 0.178 nan 8.360 nan 0.000 0.467 347 I N 0.981 121.097 120.570 -0.756 0.000 2.113 347 I HA -0.272 3.898 4.170 0.001 0.000 0.238 347 I C 2.321 178.279 176.117 -0.266 0.000 1.070 347 I CA 1.744 62.670 61.300 -0.623 0.000 1.332 347 I CB -1.016 36.743 38.000 -0.402 0.000 1.044 347 I HN 0.222 nan 8.210 nan 0.000 0.402 348 K N 0.878 121.156 120.400 -0.203 0.000 2.152 348 K HA -0.168 4.152 4.320 0.001 0.000 0.206 348 K C 2.013 178.587 176.600 -0.043 0.000 1.048 348 K CA 1.778 58.004 56.287 -0.103 0.000 0.933 348 K CB -0.374 32.042 32.500 -0.141 0.000 0.721 348 K HN 0.434 nan 8.250 nan 0.000 0.447 349 S N 0.032 115.657 115.700 -0.126 0.000 2.440 349 S HA -0.147 4.323 4.470 0.001 0.000 0.240 349 S C 0.646 175.389 174.600 0.238 0.000 1.014 349 S CA 0.474 58.658 58.200 -0.026 0.000 0.980 349 S CB -0.355 62.771 63.200 -0.123 0.000 0.775 349 S HN 0.215 nan 8.310 nan 0.000 0.499 353 F N 1.380 121.272 119.950 -0.097 0.000 2.213 353 F HA 0.701 5.228 4.527 0.001 0.000 0.297 353 F C 2.045 177.798 175.800 -0.079 0.000 1.094 353 F CA -0.102 57.820 58.000 -0.129 0.000 1.121 353 F CB 0.003 38.929 39.000 -0.123 0.000 1.622 353 F HN 0.729 nan 8.300 nan 0.000 0.521 354 A N 0.765 123.638 122.820 0.088 0.000 1.837 354 A HA -0.117 4.203 4.320 0.001 0.000 0.216 354 A C 2.222 179.880 177.584 0.124 0.000 1.210 354 A CA 2.686 54.712 52.037 -0.017 0.000 0.632 354 A CB -1.603 17.212 19.000 -0.308 0.000 0.843 354 A HN 0.781 nan 8.150 nan 0.000 0.448 355 A N -1.449 121.489 122.820 0.198 0.000 1.954 355 A HA -0.336 3.984 4.320 0.001 0.000 0.222 355 A C 2.054 179.722 177.584 0.141 0.000 1.199 355 A CA 2.547 54.721 52.037 0.227 0.000 0.657 355 A CB -0.713 18.395 19.000 0.180 0.000 0.823 355 A HN 0.615 nan 8.150 nan 0.000 0.463 356 Q N -0.451 119.420 119.800 0.117 0.000 2.119 356 Q HA -0.061 4.279 4.340 0.001 0.000 0.201 356 Q C 2.020 178.080 176.000 0.101 0.000 0.972 356 Q CA 1.822 57.682 55.803 0.095 0.000 0.847 356 Q CB -0.218 28.572 28.738 0.087 0.000 0.903 356 Q HN 0.754 nan 8.270 nan 0.000 0.433 357 K N -0.402 120.060 120.400 0.103 0.000 2.148 357 K HA -0.044 4.276 4.320 0.001 0.000 0.204 357 K C 1.972 178.614 176.600 0.069 0.000 1.050 357 K CA 1.001 57.334 56.287 0.078 0.000 0.942 357 K CB -0.091 32.448 32.500 0.065 0.000 0.724 357 K HN 0.008 nan 8.250 nan 0.000 0.446 358 V N 1.202 121.181 119.914 0.108 0.000 2.287 358 V HA -0.256 3.865 4.120 0.001 0.000 0.248 358 V C 2.245 178.370 176.094 0.051 0.000 1.053 358 V CA 1.654 64.015 62.300 0.101 0.000 1.027 358 V CB -0.365 31.541 31.823 0.138 0.000 0.646 358 V HN 0.092 nan 8.190 nan 0.000 0.447 359 V N -0.305 119.640 119.914 0.052 0.000 2.358 359 V HA -0.244 3.876 4.120 0.001 0.000 0.246 359 V C 2.376 178.471 176.094 0.002 0.000 1.047 359 V CA 1.980 64.301 62.300 0.035 0.000 1.035 359 V CB -0.714 31.140 31.823 0.052 0.000 0.658 359 V HN 0.624 nan 8.190 nan 0.000 0.452 360 E N 0.249 120.439 120.200 -0.017 0.000 2.049 360 E HA -0.233 4.118 4.350 0.001 0.000 0.198 360 E C 2.254 178.733 176.600 -0.201 0.000 1.007 360 E CA 1.826 58.122 56.400 -0.174 0.000 0.809 360 E CB -0.461 29.119 29.700 -0.200 0.000 0.749 360 E HN 0.436 nan 8.360 nan 0.000 0.450 361 V N 2.480 122.334 119.914 -0.099 0.000 2.418 361 V HA -0.344 3.777 4.120 0.001 0.000 0.258 361 V C 1.872 177.937 176.094 -0.048 0.000 1.088 361 V CA 1.990 64.255 62.300 -0.059 0.000 1.091 361 V CB -0.605 31.218 31.823 0.001 0.000 0.669 361 V HN 0.316 nan 8.190 nan 0.000 0.461 362 N N -0.000 118.678 118.700 -0.036 0.000 2.220 362 N HA 0.003 4.743 4.740 0.001 0.000 0.182 362 N C 2.004 177.522 175.510 0.013 0.000 1.023 362 N CA 1.359 54.404 53.050 -0.007 0.000 0.856 362 N CB -0.317 38.172 38.487 0.004 0.000 0.997 362 N HN 0.483 nan 8.380 nan 0.000 0.429 363 A N 1.728 124.545 122.820 -0.004 0.000 1.986 363 A HA -0.102 4.219 4.320 0.001 0.000 0.220 363 A C 2.273 179.950 177.584 0.154 0.000 1.171 363 A CA 1.146 53.230 52.037 0.077 0.000 0.640 363 A CB -0.726 18.272 19.000 -0.003 0.000 0.811 363 A HN 0.201 nan 8.150 nan 0.000 0.451 364 L N -1.543 119.671 121.223 -0.016 0.000 2.270 364 L HA -0.016 4.325 4.340 0.001 0.000 0.210 364 L C 2.910 179.816 176.870 0.061 0.000 1.104 364 L CA 0.674 55.540 54.840 0.042 0.000 0.804 364 L CB -0.328 41.668 42.059 -0.105 0.000 0.937 364 L HN 0.417 nan 8.230 nan 0.000 0.450 365 A N -0.275 122.565 122.820 0.033 0.000 1.930 365 A HA -0.081 4.239 4.320 0.001 0.000 0.215 365 A C 2.272 179.879 177.584 0.037 0.000 1.176 365 A CA 0.944 52.995 52.037 0.024 0.000 0.632 365 A CB -0.076 18.928 19.000 0.006 0.000 0.819 365 A HN 0.108 nan 8.150 nan 0.000 0.445 366 K N 0.057 120.491 120.400 0.058 0.000 2.116 366 K HA 0.098 4.418 4.320 0.001 0.000 0.203 366 K C 2.086 178.723 176.600 0.061 0.000 1.052 366 K CA 1.149 57.470 56.287 0.057 0.000 0.952 366 K CB -0.661 31.882 32.500 0.072 0.000 0.729 366 K HN 0.402 nan 8.250 nan 0.000 0.446 367 A N 1.015 123.899 122.820 0.107 0.000 2.125 367 A HA -0.051 4.269 4.320 0.001 0.000 0.219 367 A C 1.988 179.577 177.584 0.008 0.000 1.156 367 A CA 0.896 52.960 52.037 0.044 0.000 0.671 367 A CB -0.364 18.708 19.000 0.120 0.000 0.794 367 A HN 0.187 nan 8.150 nan 0.000 0.459 368 L N -1.954 119.288 121.223 0.032 0.000 2.585 368 L HA 0.189 4.530 4.340 0.001 0.000 0.226 368 L C 1.997 178.873 176.870 0.010 0.000 1.113 368 L CA 0.707 55.557 54.840 0.017 0.000 0.876 368 L CB 0.145 42.219 42.059 0.024 0.000 1.072 368 L HN 0.385 nan 8.230 nan 0.000 0.468 369 A N -1.188 121.639 122.820 0.012 0.000 2.470 369 A HA 0.445 4.765 4.320 0.001 0.000 0.251 369 A C 1.341 178.927 177.584 0.003 0.000 1.245 369 A CA 0.446 52.489 52.037 0.009 0.000 0.932 369 A CB 0.152 19.158 19.000 0.011 0.000 1.037 369 A HN 0.379 nan 8.150 nan 0.000 0.522 370 G N -0.433 108.364 108.800 -0.005 0.000 2.149 370 G HA2 -0.213 3.748 3.960 0.001 0.000 0.235 370 G HA3 -0.213 3.748 3.960 0.001 0.000 0.235 370 G C 0.306 175.202 174.900 -0.007 0.000 1.018 370 G CA 0.408 45.499 45.100 -0.014 0.000 0.728 370 G HN 0.448 nan 8.290 nan 0.000 0.508 371 Q N -0.627 119.177 119.800 0.006 0.000 2.155 371 Q HA 0.159 4.500 4.340 0.001 0.000 0.220 371 Q C 0.914 176.938 176.000 0.041 0.000 0.819 371 Q CA -0.224 55.592 55.803 0.022 0.000 1.032 371 Q CB 0.613 29.369 28.738 0.031 0.000 1.151 371 Q HN 0.674 nan 8.270 nan 0.000 0.487 372 K N 2.719 123.122 120.400 0.005 0.000 2.110 372 K HA -0.170 4.150 4.320 0.001 0.000 0.246 372 K C -0.439 176.207 176.600 0.078 0.000 1.338 372 K CA 0.217 56.489 56.287 -0.023 0.000 1.363 372 K CB -0.380 31.965 32.500 -0.260 0.000 0.786 372 K HN 0.043 nan 8.250 nan 0.000 0.466 373 D N 3.527 124.069 120.400 0.236 0.000 2.479 373 D HA -0.060 4.580 4.640 0.001 0.000 0.253 373 D C 0.855 177.332 176.300 0.296 0.000 1.278 373 D CA 0.084 54.217 54.000 0.221 0.000 1.145 373 D CB 0.377 41.302 40.800 0.208 0.000 1.118 373 D HN 0.493 nan 8.370 nan 0.000 0.513 374 E N 2.485 122.789 120.200 0.173 0.000 2.236 374 E HA -0.279 4.071 4.350 0.001 0.000 0.205 374 E C 1.825 178.537 176.600 0.187 0.000 1.028 374 E CA 1.478 57.973 56.400 0.159 0.000 0.827 374 E CB -0.186 29.550 29.700 0.061 0.000 0.735 374 E HN 0.625 nan 8.360 nan 0.000 0.470 375 A N -0.607 122.300 122.820 0.144 0.000 2.121 375 A HA -0.065 4.255 4.320 0.001 0.000 0.218 375 A C 2.082 179.719 177.584 0.088 0.000 1.154 375 A CA 0.820 52.915 52.037 0.096 0.000 0.679 375 A CB -0.278 18.762 19.000 0.067 0.000 0.795 375 A HN 0.290 nan 8.150 nan 0.000 0.458 376 L N -2.338 118.974 121.223 0.147 0.000 2.102 376 L HA 0.004 4.345 4.340 0.001 0.000 0.202 376 L C 2.190 178.957 176.870 -0.171 0.000 1.076 376 L CA 0.851 55.699 54.840 0.014 0.000 0.761 376 L CB -0.381 41.719 42.059 0.068 0.000 0.921 376 L HN 0.389 nan 8.230 nan 0.000 0.444 377 F N -0.366 119.572 119.950 -0.021 0.000 2.259 377 F HA -0.113 4.414 4.527 0.001 0.000 0.298 377 F C 2.702 178.446 175.800 -0.094 0.000 1.088 377 F CA 0.861 58.816 58.000 -0.075 0.000 1.358 377 F CB -0.788 38.251 39.000 0.064 0.000 1.040 377 F HN -0.049 nan 8.300 nan 0.000 0.505 378 S N 0.191 115.973 115.700 0.138 0.000 2.368 378 S HA -0.182 4.288 4.470 0.001 0.000 0.225 378 S C 2.382 176.982 174.600 -0.001 0.000 1.030 378 S CA 1.173 59.411 58.200 0.064 0.000 0.999 378 S CB -0.686 62.551 63.200 0.062 0.000 0.844 378 S HN 0.373 nan 8.310 nan 0.000 0.459 379 A N 2.488 125.283 122.820 -0.042 0.000 1.854 379 A HA -0.105 4.216 4.320 0.001 0.000 0.214 379 A C 1.993 179.498 177.584 -0.131 0.000 1.192 379 A CA 1.369 53.364 52.037 -0.070 0.000 0.611 379 A CB -0.953 18.003 19.000 -0.073 0.000 0.832 379 A HN 0.550 nan 8.150 nan 0.000 0.442 380 N N 0.783 119.300 118.700 -0.305 0.000 2.005 380 N HA -0.253 4.488 4.740 0.001 0.000 0.199 380 N C 1.981 177.362 175.510 -0.216 0.000 1.054 380 N CA 2.383 55.163 53.050 -0.449 0.000 0.864 380 N CB -0.432 37.355 38.487 -1.167 0.000 1.063 380 N HN 0.328 nan 8.380 nan 0.000 0.428 381 A N 0.871 123.596 122.820 -0.159 0.000 1.971 381 A HA -0.180 4.141 4.320 0.001 0.000 0.222 381 A C 2.474 180.047 177.584 -0.018 0.000 1.182 381 A CA 2.699 54.710 52.037 -0.044 0.000 0.649 381 A CB -1.172 17.839 19.000 0.018 0.000 0.818 381 A HN 0.649 nan 8.150 nan 0.000 0.458 382 A N -0.634 122.179 122.820 -0.012 0.000 1.898 382 A HA 0.218 4.539 4.320 0.001 0.000 0.216 382 A C 2.489 180.115 177.584 0.071 0.000 1.181 382 A CA 1.981 54.033 52.037 0.025 0.000 0.620 382 A CB -0.929 18.084 19.000 0.021 0.000 0.819 382 A HN 1.169 nan 8.150 nan 0.000 0.442 383 A N -0.393 122.475 122.820 0.079 0.000 1.969 383 A HA 0.071 4.392 4.320 0.001 0.000 0.218 383 A C 2.129 179.793 177.584 0.133 0.000 1.169 383 A CA 1.242 53.415 52.037 0.228 0.000 0.635 383 A CB -0.495 18.639 19.000 0.222 0.000 0.810 383 A HN 0.465 nan 8.150 nan 0.000 0.445 384 L N -0.786 120.435 121.223 -0.004 0.000 2.027 384 L HA -0.181 4.160 4.340 0.001 0.000 0.206 384 L C 3.137 179.942 176.870 -0.109 0.000 1.074 384 L CA 1.077 55.856 54.840 -0.101 0.000 0.745 384 L CB -0.668 41.353 42.059 -0.063 0.000 0.898 384 L HN 0.418 nan 8.230 nan 0.000 0.433 385 A N -0.093 122.712 122.820 -0.025 0.000 1.917 385 A HA -0.250 4.071 4.320 0.001 0.000 0.219 385 A C 2.494 180.092 177.584 0.022 0.000 1.182 385 A CA 2.370 54.404 52.037 -0.005 0.000 0.633 385 A CB -0.759 18.256 19.000 0.025 0.000 0.819 385 A HN 0.447 nan 8.150 nan 0.000 0.448 386 S N -0.626 115.153 115.700 0.132 0.000 2.354 386 S HA -0.234 4.237 4.470 0.001 0.000 0.219 386 S C 2.050 176.761 174.600 0.185 0.000 1.035 386 S CA 1.437 59.833 58.200 0.327 0.000 1.037 386 S CB -0.502 63.133 63.200 0.725 0.000 0.956 386 S HN 0.666 nan 8.310 nan 0.000 0.428 387 R N 1.323 121.549 120.500 -0.457 0.000 2.115 387 R HA -0.148 4.193 4.340 0.001 0.000 0.239 387 R C 2.363 178.309 176.300 -0.589 0.000 1.133 387 R CA 1.823 57.063 56.100 -1.434 0.000 0.935 387 R CB -0.237 29.015 30.300 -1.748 0.000 0.853 387 R HN 0.296 nan 8.270 nan 0.000 0.433 388 R N -0.163 120.111 120.500 -0.376 0.000 2.293 388 R HA -0.086 4.254 4.340 0.001 0.000 0.219 388 R C 2.155 178.384 176.300 -0.118 0.000 1.091 388 R CA 1.408 57.376 56.100 -0.220 0.000 1.004 388 R CB 0.030 30.232 30.300 -0.163 0.000 0.865 388 R HN 0.435 nan 8.270 nan 0.000 0.469 389 S N -0.916 114.744 115.700 -0.067 0.000 2.738 389 S HA 0.008 4.478 4.470 0.001 0.000 0.216 389 S C 0.883 175.512 174.600 0.049 0.000 0.968 389 S CA -0.123 58.078 58.200 0.002 0.000 0.879 389 S CB -0.240 62.978 63.200 0.030 0.000 0.837 389 S HN 0.112 nan 8.310 nan 0.000 0.622 390 S N 4.075 119.854 115.700 0.132 0.000 4.045 390 S HA -0.021 4.450 4.470 0.001 0.000 0.485 390 S C -1.965 172.731 174.600 0.160 0.000 1.097 390 S CA -0.337 57.991 58.200 0.214 0.000 0.930 390 S CB 0.004 63.496 63.200 0.487 0.000 0.685 390 S HN 0.295 nan 8.310 nan 0.000 0.484 391 P HA 0.039 nan 4.420 nan 0.000 0.244 391 P C 0.639 178.014 177.300 0.124 0.000 1.211 391 P CA 0.513 63.671 63.100 0.096 0.000 0.760 391 P CB 0.046 31.791 31.700 0.075 0.000 0.961 392 R N -1.403 119.215 120.500 0.197 0.000 2.299 392 R HA 0.073 4.413 4.340 0.001 0.000 0.197 392 R C 1.133 177.578 176.300 0.242 0.000 0.971 392 R CA 0.395 56.648 56.100 0.256 0.000 1.030 392 R CB -0.143 30.371 30.300 0.357 0.000 0.932 392 R HN 0.178 nan 8.270 nan 0.000 0.477 393 V N -0.329 119.682 119.914 0.162 0.000 3.608 393 V HA 0.031 4.151 4.120 0.001 0.000 0.203 393 V C 0.888 176.982 176.094 -0.000 0.000 1.154 393 V CA 0.205 62.538 62.300 0.056 0.000 1.386 393 V CB -0.091 31.723 31.823 -0.015 0.000 1.486 393 V HN 0.062 nan 8.190 nan 0.000 0.491 394 T N 2.826 117.370 114.554 -0.017 0.000 2.939 394 T HA 0.101 4.452 4.350 0.001 0.000 0.312 394 T C -0.063 174.636 174.700 -0.002 0.000 1.064 394 T CA 0.881 62.968 62.100 -0.023 0.000 1.136 394 T CB -0.219 68.633 68.868 -0.026 0.000 1.035 394 T HN 0.519 nan 8.240 nan 0.000 0.538 395 N N 0.002 118.697 118.700 -0.008 0.000 3.039 395 N HA 0.143 4.884 4.740 0.001 0.000 0.257 395 N C 0.067 175.577 175.510 -0.000 0.000 1.497 395 N CA -0.542 52.510 53.050 0.003 0.000 0.861 395 N CB 1.647 40.138 38.487 0.006 0.000 1.479 395 N HN 0.358 nan 8.380 nan 0.000 0.547 396 E N -0.126 120.077 120.200 0.005 0.000 2.385 396 E HA 0.125 4.475 4.350 0.001 0.000 0.194 396 E C 1.390 177.991 176.600 0.002 0.000 1.013 396 E CA 0.409 56.811 56.400 0.004 0.000 0.866 396 E CB -0.303 29.402 29.700 0.008 0.000 0.832 396 E HN 0.750 nan 8.360 nan 0.000 0.500 397 G N 1.090 109.892 108.800 0.004 0.000 2.421 397 G HA2 -0.152 3.809 3.960 0.001 0.000 0.217 397 G HA3 -0.152 3.809 3.960 0.001 0.000 0.217 397 G C 1.364 176.262 174.900 -0.004 0.000 1.143 397 G CA 0.175 45.278 45.100 0.004 0.000 0.784 397 G HN 0.192 nan 8.290 nan 0.000 0.541 398 V N 1.539 121.448 119.914 -0.009 0.000 3.458 398 V HA 0.022 4.142 4.120 0.001 0.000 0.318 398 V C 1.752 177.837 176.094 -0.016 0.000 1.182 398 V CA 1.323 63.613 62.300 -0.017 0.000 1.303 398 V CB -0.066 31.741 31.823 -0.026 0.000 1.073 398 V HN 0.552 nan 8.190 nan 0.000 0.418 399 Q N -0.049 119.744 119.800 -0.012 0.000 2.360 399 Q HA 0.057 4.398 4.340 0.001 0.000 0.261 399 Q C 1.552 177.544 176.000 -0.014 0.000 0.802 399 Q CA 0.224 56.020 55.803 -0.011 0.000 0.983 399 Q CB 0.245 28.979 28.738 -0.007 0.000 1.211 399 Q HN 0.371 nan 8.270 nan 0.000 0.523 400 K N 1.218 121.610 120.400 -0.012 0.000 2.585 400 K HA 0.081 4.402 4.320 0.001 0.000 0.194 400 K C 1.565 178.148 176.600 -0.028 0.000 1.037 400 K CA 0.814 57.092 56.287 -0.015 0.000 0.964 400 K CB 0.020 32.514 32.500 -0.009 0.000 0.787 400 K HN 0.333 nan 8.250 nan 0.000 0.488 401 A N 0.940 123.742 122.820 -0.031 0.000 1.935 401 A HA 0.096 4.417 4.320 0.001 0.000 0.214 401 A C 2.060 179.613 177.584 -0.052 0.000 1.178 401 A CA 1.051 53.059 52.037 -0.050 0.000 0.640 401 A CB -0.135 18.844 19.000 -0.036 0.000 0.825 401 A HN 0.217 nan 8.150 nan 0.000 0.447 402 A N -0.793 122.007 122.820 -0.032 0.000 2.250 402 A HA 0.471 4.791 4.320 0.001 0.000 0.208 402 A C 1.528 179.098 177.584 -0.024 0.000 1.254 402 A CA 1.157 53.179 52.037 -0.025 0.000 0.858 402 A CB -0.669 18.322 19.000 -0.015 0.000 0.820 402 A HN 0.974 nan 8.150 nan 0.000 0.484 403 A N -1.835 120.966 122.820 -0.033 0.000 2.340 403 A HA 0.601 4.921 4.320 0.001 0.000 0.213 403 A C 1.774 179.335 177.584 -0.038 0.000 1.299 403 A CA 0.816 52.836 52.037 -0.027 0.000 0.994 403 A CB -0.182 18.805 19.000 -0.021 0.000 1.132 403 A HN 0.884 nan 8.150 nan 0.000 0.519 404 A N -0.314 122.465 122.820 -0.068 0.000 2.238 404 A HA 0.337 4.657 4.320 0.001 0.000 0.208 404 A C 1.263 178.795 177.584 -0.086 0.000 1.177 404 A CA 0.465 52.442 52.037 -0.101 0.000 0.804 404 A CB -0.266 18.610 19.000 -0.208 0.000 0.823 404 A HN 0.299 nan 8.150 nan 0.000 0.482 405 L N -0.546 120.644 121.223 -0.055 0.000 2.591 405 L HA 0.104 4.444 4.340 0.001 0.000 0.228 405 L C 1.239 178.105 176.870 -0.006 0.000 1.133 405 L CA 0.847 55.670 54.840 -0.028 0.000 0.880 405 L CB -1.008 41.039 42.059 -0.019 0.000 1.033 405 L HN 0.427 nan 8.230 nan 0.000 0.450 406 K N 1.531 121.926 120.400 -0.007 0.000 2.408 406 K HA 0.261 4.582 4.320 0.001 0.000 0.231 406 K C 0.807 177.414 176.600 0.013 0.000 1.261 406 K CA 0.423 56.711 56.287 0.002 0.000 1.193 406 K CB -0.435 32.064 32.500 -0.001 0.000 1.431 406 K HN 0.287 nan 8.250 nan 0.000 0.243 407 G N 1.406 110.217 108.800 0.017 0.000 2.740 407 G HA2 -0.354 3.606 3.960 0.001 0.000 0.250 407 G HA3 -0.354 3.606 3.960 0.001 0.000 0.250 407 G C 0.085 175.007 174.900 0.037 0.000 1.358 407 G CA -0.158 44.958 45.100 0.026 0.000 0.897 407 G HN 0.724 nan 8.290 nan 0.000 0.567 408 S N -0.932 114.780 115.700 0.020 0.000 2.592 408 S HA 0.441 4.911 4.470 0.001 0.000 0.247 408 S C 0.256 174.827 174.600 -0.048 0.000 1.322 408 S CA 1.178 59.317 58.200 -0.101 0.000 0.973 408 S CB 0.656 63.770 63.200 -0.144 0.000 0.971 408 S HN 0.930 nan 8.310 nan 0.000 0.545 409 D N -0.876 119.418 120.400 -0.176 0.000 2.968 409 D HA 0.328 4.969 4.640 0.001 0.000 0.301 409 D C -1.378 174.873 176.300 -0.081 0.000 1.226 409 D CA -0.236 53.744 54.000 -0.034 0.000 0.746 409 D CB -0.022 40.825 40.800 0.079 0.000 1.278 409 D HN 0.502 nan 8.370 nan 0.000 0.544 410 H N 0.650 119.668 119.070 -0.087 0.000 2.732 410 H HA 0.196 4.752 4.556 0.001 0.000 0.351 410 H C 0.605 175.910 175.328 -0.038 0.000 1.090 410 H CA -0.103 55.908 56.048 -0.062 0.000 1.431 410 H CB 0.802 30.530 29.762 -0.057 0.000 1.447 410 H HN 0.039 nan 8.280 nan 0.000 0.582 411 R N 3.310 123.856 120.500 0.077 0.000 2.457 411 R HA -0.038 4.303 4.340 0.001 0.000 0.335 411 R C -0.285 176.037 176.300 0.036 0.000 1.003 411 R CA -0.576 55.543 56.100 0.032 0.000 1.003 411 R CB 0.082 30.388 30.300 0.009 0.000 0.950 411 R HN 0.569 nan 8.270 nan 0.000 0.428 412 R N 3.998 124.511 120.500 0.022 0.000 4.209 412 R HA -0.293 4.048 4.340 0.001 0.000 0.120 412 R C 1.259 177.562 176.300 0.006 0.000 0.331 412 R CA 0.904 57.011 56.100 0.012 0.000 0.776 412 R CB -1.979 28.322 30.300 0.002 0.000 1.228 412 R HN 0.960 nan 8.270 nan 0.000 0.322 413 A N 2.769 125.589 122.820 0.001 0.000 1.833 413 A HA -0.407 3.914 4.320 0.001 0.000 0.360 413 A C 0.935 178.514 177.584 -0.008 0.000 5.277 413 A CA 2.778 54.808 52.037 -0.013 0.000 1.033 413 A CB -1.943 17.047 19.000 -0.018 0.000 0.922 413 A HN 0.893 nan 8.150 nan 0.000 0.549 414 T N 1.481 116.030 114.554 -0.008 0.000 2.452 414 T HA -0.145 4.205 4.350 0.001 0.000 0.437 414 T C 0.192 174.886 174.700 -0.010 0.000 1.090 414 T CA 0.903 62.998 62.100 -0.009 0.000 3.910 414 T CB -1.594 67.270 68.868 -0.007 0.000 0.584 414 T HN 0.887 nan 8.240 nan 0.000 0.203 415 N N 1.433 120.125 118.700 -0.014 0.000 2.292 415 N HA -0.034 4.706 4.740 0.001 0.000 0.258 415 N C 1.601 177.097 175.510 -0.024 0.000 1.261 415 N CA -0.251 52.789 53.050 -0.017 0.000 0.845 415 N CB 0.556 39.032 38.487 -0.019 0.000 1.064 415 N HN 0.358 nan 8.380 nan 0.000 0.471 416 V N 3.422 123.317 119.914 -0.031 0.000 2.363 416 V HA -0.327 3.793 4.120 0.001 0.000 0.254 416 V C 2.203 178.262 176.094 -0.058 0.000 1.074 416 V CA 2.738 65.007 62.300 -0.051 0.000 1.069 416 V CB -0.664 31.108 31.823 -0.084 0.000 0.659 416 V HN 0.919 nan 8.190 nan 0.000 0.455 417 S N 0.470 116.135 115.700 -0.058 0.000 2.383 417 S HA -0.004 4.466 4.470 0.001 0.000 0.227 417 S C 1.800 176.382 174.600 -0.030 0.000 1.026 417 S CA 1.089 59.259 58.200 -0.050 0.000 0.981 417 S CB -0.568 62.605 63.200 -0.046 0.000 0.818 417 S HN 0.928 nan 8.310 nan 0.000 0.472 418 A N 0.548 123.353 122.820 -0.024 0.000 2.370 418 A HA 0.451 4.772 4.320 0.001 0.000 0.238 418 A C 1.901 179.477 177.584 -0.013 0.000 1.289 418 A CA -0.090 51.937 52.037 -0.016 0.000 0.885 418 A CB -0.366 18.625 19.000 -0.014 0.000 0.961 418 A HN 0.525 nan 8.150 nan 0.000 0.499 419 R N -1.078 119.412 120.500 -0.017 0.000 2.310 419 R HA 0.311 4.652 4.340 0.001 0.000 0.199 419 R C 1.244 177.539 176.300 -0.009 0.000 0.891 419 R CA 0.123 56.215 56.100 -0.013 0.000 1.060 419 R CB -0.035 30.253 30.300 -0.019 0.000 1.188 419 R HN 0.447 nan 8.270 nan 0.000 0.607 420 L N 1.361 122.577 121.223 -0.013 0.000 2.131 420 L HA -0.176 4.164 4.340 0.001 0.000 0.210 420 L C 1.317 178.194 176.870 0.012 0.000 1.092 420 L CA 1.159 56.000 54.840 0.002 0.000 0.759 420 L CB -0.385 41.673 42.059 -0.002 0.000 0.903 420 L HN 0.204 nan 8.230 nan 0.000 0.435 421 D N 0.320 120.722 120.400 0.003 0.000 2.182 421 D HA -0.186 4.455 4.640 0.001 0.000 0.201 421 D C 2.097 178.403 176.300 0.009 0.000 0.986 421 D CA 1.584 55.587 54.000 0.005 0.000 0.847 421 D CB 0.118 40.918 40.800 -0.000 0.000 0.942 421 D HN 0.401 nan 8.370 nan 0.000 0.467 422 A N 0.516 123.342 122.820 0.009 0.000 1.911 422 A HA -0.081 4.239 4.320 0.001 0.000 0.212 422 A C 2.116 179.712 177.584 0.020 0.000 1.189 422 A CA 0.468 52.512 52.037 0.011 0.000 0.639 422 A CB -0.281 18.723 19.000 0.007 0.000 0.839 422 A HN 0.114 nan 8.150 nan 0.000 0.449 423 Q N -0.560 119.255 119.800 0.025 0.000 2.096 423 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 423 Q C 2.233 178.266 176.000 0.054 0.000 0.982 423 Q CA 1.411 57.239 55.803 0.042 0.000 0.850 423 Q CB -0.235 28.530 28.738 0.046 0.000 0.901 423 Q HN 0.577 nan 8.270 nan 0.000 0.422 424 Q N 1.310 121.139 119.800 0.048 0.000 2.020 424 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 424 Q C 2.032 178.050 176.000 0.031 0.000 0.982 424 Q CA 1.375 57.205 55.803 0.045 0.000 0.838 424 Q CB -0.171 28.587 28.738 0.033 0.000 0.899 424 Q HN 0.279 nan 8.270 nan 0.000 0.423 425 K N 0.695 121.108 120.400 0.022 0.000 2.015 425 K HA -0.272 4.048 4.320 0.001 0.000 0.220 425 K C 2.063 178.674 176.600 0.019 0.000 1.055 425 K CA 2.212 58.509 56.287 0.016 0.000 0.951 425 K CB -0.193 32.314 32.500 0.012 0.000 0.725 425 K HN -0.108 nan 8.250 nan 0.000 0.449 426 K N 0.737 121.151 120.400 0.023 0.000 2.173 426 K HA -0.137 4.183 4.320 0.001 0.000 0.207 426 K C 0.478 177.096 176.600 0.030 0.000 1.046 426 K CA 1.737 58.039 56.287 0.025 0.000 0.929 426 K CB -0.181 32.336 32.500 0.029 0.000 0.720 426 K HN 0.423 nan 8.250 nan 0.000 0.453 427 L N -1.080 120.165 121.223 0.037 0.000 2.534 427 L HA 0.424 4.765 4.340 0.001 0.000 0.259 427 L C -0.960 175.928 176.870 0.030 0.000 1.108 427 L CA -1.140 53.724 54.840 0.039 0.000 0.905 427 L CB 0.845 42.941 42.059 0.061 0.000 1.138 427 L HN -0.188 nan 8.230 nan 0.000 0.475 428 N N 3.419 122.128 118.700 0.015 0.000 2.411 428 N HA 0.201 4.941 4.740 0.001 0.000 0.282 428 N C -1.045 174.458 175.510 -0.011 0.000 1.322 428 N CA 0.432 53.483 53.050 0.002 0.000 0.943 428 N CB 0.313 38.799 38.487 -0.003 0.000 1.266 428 N HN 0.718 nan 8.380 nan 0.000 0.486 429 L N 4.318 125.527 121.223 -0.024 0.000 2.334 429 L HA 0.626 4.966 4.340 0.001 0.000 0.273 429 L C -1.749 175.066 176.870 -0.091 0.000 1.013 429 L CA -2.159 52.642 54.840 -0.064 0.000 0.816 429 L CB 1.836 43.838 42.059 -0.095 0.000 1.278 429 L HN 0.481 nan 8.230 nan 0.000 0.431 430 P HA 0.215 nan 4.420 nan 0.000 0.274 430 P C -0.611 176.597 177.300 -0.153 0.000 1.231 430 P CA -0.516 62.521 63.100 -0.105 0.000 0.790 430 P CB 0.849 32.495 31.700 -0.089 0.000 0.951 431 I N 2.106 122.605 120.570 -0.118 0.000 2.815 431 I HA -0.156 4.014 4.170 0.001 0.000 0.291 431 I C 1.017 177.036 176.117 -0.164 0.000 1.209 431 I CA 0.498 61.721 61.300 -0.128 0.000 1.431 431 I CB -0.926 37.030 38.000 -0.074 0.000 1.351 431 I HN 0.211 nan 8.210 nan 0.000 0.585 432 L N 5.062 126.157 121.223 -0.213 0.000 3.512 432 L HA -0.130 4.210 4.340 0.001 0.000 0.446 432 L C -2.076 174.616 176.870 -0.297 0.000 1.290 432 L CA 0.081 54.796 54.840 -0.207 0.000 0.871 432 L CB -2.198 39.803 42.059 -0.096 0.000 1.767 432 L HN 0.588 nan 8.230 nan 0.000 0.855 433 P HA 0.104 nan 4.420 nan 0.000 0.262 433 P C 0.372 177.450 177.300 -0.370 0.000 1.199 433 P CA 0.258 62.995 63.100 -0.605 0.000 0.763 433 P CB 0.379 31.407 31.700 -1.121 0.000 0.790 434 T N 2.139 116.599 114.554 -0.156 0.000 2.813 434 T HA 0.417 4.768 4.350 0.001 0.000 0.297 434 T C 0.567 175.310 174.700 0.072 0.000 1.036 434 T CA 0.026 62.118 62.100 -0.013 0.000 1.044 434 T CB 0.631 69.497 68.868 -0.004 0.000 0.993 434 T HN 0.618 nan 8.240 nan 0.000 0.535 435 T N -0.579 114.051 114.554 0.126 0.000 2.636 435 T HA 0.481 4.831 4.350 0.001 0.000 0.298 435 T C -1.002 173.775 174.700 0.128 0.000 1.849 435 T CA -0.279 61.913 62.100 0.153 0.000 0.963 435 T CB 0.611 69.620 68.868 0.235 0.000 1.907 435 T HN 0.975 nan 8.240 nan 0.000 0.496 436 T N 0.042 114.664 114.554 0.114 0.000 2.718 436 T HA 0.676 5.026 4.350 0.001 0.000 0.267 436 T C 0.796 175.492 174.700 -0.007 0.000 0.957 436 T CA -0.788 61.365 62.100 0.088 0.000 1.025 436 T CB 0.704 69.697 68.868 0.208 0.000 1.355 436 T HN 0.396 nan 8.240 nan 0.000 0.572 437 I N -0.782 119.752 120.570 -0.060 0.000 3.718 437 I HA 0.394 4.565 4.170 0.001 0.000 0.297 437 I C 1.845 177.891 176.117 -0.118 0.000 1.220 437 I CA 1.044 62.218 61.300 -0.211 0.000 1.381 437 I CB -0.481 37.327 38.000 -0.320 0.000 1.238 437 I HN 1.006 nan 8.210 nan 0.000 0.448 438 G N 0.531 109.326 108.800 -0.008 0.000 4.338 438 G HA2 -0.078 3.883 3.960 0.001 0.000 0.195 438 G HA3 -0.078 3.883 3.960 0.001 0.000 0.195 438 G C 0.182 175.111 174.900 0.050 0.000 1.164 438 G CA 0.387 45.508 45.100 0.035 0.000 0.872 438 G HN 0.347 nan 8.290 nan 0.000 0.301 439 S N 0.087 115.801 115.700 0.023 0.000 2.672 439 S HA 0.846 5.317 4.470 0.001 0.000 0.276 439 S C -0.905 173.727 174.600 0.053 0.000 1.207 439 S CA -0.407 57.808 58.200 0.025 0.000 1.002 439 S CB 2.057 65.237 63.200 -0.034 0.000 0.998 439 S HN 0.318 nan 8.310 nan 0.000 0.542 440 F N 0.098 119.982 119.950 -0.109 0.000 2.613 440 F HA 0.596 5.123 4.527 0.001 0.000 0.314 440 F C -2.542 173.152 175.800 -0.176 0.000 1.075 440 F CA -2.056 55.885 58.000 -0.099 0.000 0.945 440 F CB 1.853 40.842 39.000 -0.020 0.000 1.310 440 F HN 0.394 nan 8.300 nan 0.000 0.467 441 P HA 0.075 nan 4.420 nan 0.000 0.269 441 P C -1.172 175.944 177.300 -0.307 0.000 1.211 441 P CA 0.036 62.827 63.100 -0.516 0.000 0.781 441 P CB 0.494 31.469 31.700 -1.208 0.000 0.877 442 Q N -0.275 119.413 119.800 -0.186 0.000 2.207 442 Q HA 0.567 4.907 4.340 0.001 0.000 0.237 442 Q C 0.822 176.890 176.000 0.113 0.000 0.998 442 Q CA -0.395 55.410 55.803 0.004 0.000 0.951 442 Q CB 1.194 29.924 28.738 -0.013 0.000 1.213 442 Q HN 0.564 nan 8.270 nan 0.000 0.499 443 T N -3.957 110.676 114.554 0.132 0.000 2.405 443 T HA 0.253 4.603 4.350 0.001 0.000 0.197 443 T C 1.317 176.058 174.700 0.069 0.000 0.784 443 T CA 0.191 62.373 62.100 0.138 0.000 1.262 443 T CB -0.802 68.150 68.868 0.139 0.000 2.105 443 T HN 0.385 nan 8.240 nan 0.000 0.474 444 V N -0.378 119.569 119.914 0.054 0.000 2.220 444 V HA 0.006 4.127 4.120 0.001 0.000 0.250 444 V C 0.324 176.432 176.094 0.024 0.000 1.056 444 V CA 1.796 64.115 62.300 0.033 0.000 1.016 444 V CB -1.747 30.091 31.823 0.025 0.000 0.639 444 V HN 0.919 nan 8.190 nan 0.000 0.446 445 E N 0.767 120.980 120.200 0.021 0.000 4.220 445 E HA -0.109 4.241 4.350 0.001 0.000 0.160 445 E C -0.817 175.784 176.600 0.002 0.000 1.630 445 E CA 0.337 56.742 56.400 0.008 0.000 0.960 445 E CB -1.360 28.345 29.700 0.007 0.000 1.061 445 E HN 0.526 nan 8.360 nan 0.000 0.360 446 L N 2.743 123.965 121.223 -0.002 0.000 2.260 446 L HA 0.342 4.683 4.340 0.001 0.000 0.289 446 L C 1.723 178.587 176.870 -0.011 0.000 1.057 446 L CA 0.100 54.937 54.840 -0.004 0.000 0.811 446 L CB 0.295 42.352 42.059 -0.002 0.000 1.184 446 L HN 0.228 nan 8.230 nan 0.000 0.429 462 D N -0.728 119.685 120.400 0.022 0.000 2.355 462 D HA 0.024 4.665 4.640 0.001 0.000 0.206 462 D C 1.486 177.818 176.300 0.053 0.000 1.010 462 D CA 0.404 54.391 54.000 -0.022 0.000 0.875 462 D CB 0.330 41.059 40.800 -0.119 0.000 0.966 462 D HN 0.109 nan 8.370 nan 0.000 0.512 463 Y N 0.702 121.101 120.300 0.166 0.000 2.130 463 Y HA -0.096 4.454 4.550 0.001 0.000 0.287 463 Y C 2.453 178.463 175.900 0.185 0.000 1.124 463 Y CA 0.594 58.840 58.100 0.243 0.000 1.118 463 Y CB -0.990 37.589 38.460 0.198 0.000 0.994 463 Y HN -0.180 nan 8.280 nan 0.000 0.497 464 V N 0.499 120.592 119.914 0.300 0.000 2.453 464 V HA -0.285 3.836 4.120 0.001 0.000 0.252 464 V C 1.945 178.125 176.094 0.143 0.000 1.068 464 V CA 2.023 64.433 62.300 0.183 0.000 1.070 464 V CB -0.198 31.702 31.823 0.130 0.000 0.664 464 V HN 0.310 nan 8.190 nan 0.000 0.461 465 K N 0.037 120.515 120.400 0.130 0.000 2.099 465 K HA 0.264 4.584 4.320 0.001 0.000 0.203 465 K C 2.321 178.974 176.600 0.087 0.000 1.047 465 K CA 1.289 57.627 56.287 0.083 0.000 0.963 465 K CB -1.033 31.496 32.500 0.049 0.000 0.759 465 K HN 0.499 nan 8.250 nan 0.000 0.451 466 A N 2.247 125.133 122.820 0.110 0.000 1.873 466 A HA -0.193 4.127 4.320 0.001 0.000 0.218 466 A C 2.319 179.990 177.584 0.145 0.000 1.193 466 A CA 1.721 53.809 52.037 0.086 0.000 0.629 466 A CB -0.859 18.198 19.000 0.095 0.000 0.826 466 A HN 0.211 nan 8.150 nan 0.000 0.447 467 I N -0.281 120.431 120.570 0.236 0.000 2.127 467 I HA -0.338 3.832 4.170 0.001 0.000 0.241 467 I C 2.538 178.723 176.117 0.113 0.000 1.075 467 I CA 2.027 63.448 61.300 0.201 0.000 1.334 467 I CB -0.471 37.648 38.000 0.198 0.000 1.040 467 I HN 0.509 nan 8.210 nan 0.000 0.405 468 K N 1.046 121.502 120.400 0.093 0.000 2.127 468 K HA -0.332 3.988 4.320 0.001 0.000 0.212 468 K C 2.001 178.622 176.600 0.036 0.000 1.050 468 K CA 2.491 58.811 56.287 0.055 0.000 0.929 468 K CB -0.114 32.415 32.500 0.048 0.000 0.715 468 K HN 0.183 nan 8.250 nan 0.000 0.457 469 E N 0.531 120.754 120.200 0.038 0.000 2.060 469 E HA -0.077 4.273 4.350 0.001 0.000 0.189 469 E C 1.683 178.291 176.600 0.014 0.000 0.974 469 E CA 1.446 57.858 56.400 0.021 0.000 0.808 469 E CB 0.061 29.773 29.700 0.019 0.000 0.768 469 E HN 0.422 nan 8.360 nan 0.000 0.453 470 E N -0.088 120.136 120.200 0.040 0.000 2.085 470 E HA -0.183 4.168 4.350 0.001 0.000 0.194 470 E C 1.947 178.560 176.600 0.022 0.000 0.994 470 E CA 1.212 57.640 56.400 0.046 0.000 0.801 470 E CB -0.190 29.587 29.700 0.129 0.000 0.743 470 E HN 0.244 nan 8.360 nan 0.000 0.453 471 I N 1.238 121.827 120.570 0.033 0.000 2.493 471 I HA -0.199 3.971 4.170 0.001 0.000 0.254 471 I C 1.499 177.604 176.117 -0.019 0.000 1.160 471 I CA 1.433 62.740 61.300 0.013 0.000 1.445 471 I CB 0.051 38.065 38.000 0.023 0.000 1.086 471 I HN -0.074 nan 8.210 nan 0.000 0.433 472 K N 0.162 120.545 120.400 -0.028 0.000 2.167 472 K HA -0.078 4.242 4.320 0.001 0.000 0.203 472 K C 1.984 178.529 176.600 -0.091 0.000 1.052 472 K CA 0.928 57.181 56.287 -0.056 0.000 0.956 472 K CB -0.071 32.394 32.500 -0.058 0.000 0.735 472 K HN 0.315 nan 8.250 nan 0.000 0.451 473 K N 0.568 120.905 120.400 -0.105 0.000 2.148 473 K HA -0.072 4.248 4.320 0.001 0.000 0.204 473 K C 1.979 178.446 176.600 -0.222 0.000 1.050 473 K CA 0.904 57.064 56.287 -0.211 0.000 0.942 473 K CB 0.106 32.447 32.500 -0.266 0.000 0.724 473 K HN -0.055 nan 8.250 nan 0.000 0.446 474 V N 0.413 120.254 119.914 -0.122 0.000 2.426 474 V HA -0.132 3.989 4.120 0.001 0.000 0.242 474 V C 2.099 178.160 176.094 -0.055 0.000 1.036 474 V CA 0.861 63.113 62.300 -0.081 0.000 1.044 474 V CB 0.134 31.937 31.823 -0.033 0.000 0.688 474 V HN -0.005 nan 8.190 nan 0.000 0.462 475 V N 0.929 120.816 119.914 -0.045 0.000 2.527 475 V HA -0.309 3.811 4.120 0.001 0.000 0.255 475 V C 2.275 178.347 176.094 -0.038 0.000 1.081 475 V CA 2.440 64.719 62.300 -0.034 0.000 1.092 475 V CB -0.536 31.267 31.823 -0.032 0.000 0.673 475 V HN 0.683 nan 8.190 nan 0.000 0.470 476 D N -0.281 120.087 120.400 -0.054 0.000 2.146 476 D HA -0.074 4.566 4.640 0.001 0.000 0.209 476 D C 2.163 178.451 176.300 -0.020 0.000 0.973 476 D CA 0.925 54.900 54.000 -0.041 0.000 0.860 476 D CB 0.024 40.791 40.800 -0.054 0.000 1.015 476 D HN 0.354 nan 8.370 nan 0.000 0.465 477 L N 0.861 122.060 121.223 -0.040 0.000 2.064 477 L HA -0.273 4.067 4.340 0.001 0.000 0.216 477 L C 2.815 179.688 176.870 0.006 0.000 1.077 477 L CA 1.591 56.428 54.840 -0.007 0.000 0.766 477 L CB -0.322 41.714 42.059 -0.038 0.000 0.890 477 L HN 0.162 nan 8.230 nan 0.000 0.435 478 Q N -0.596 119.200 119.800 -0.007 0.000 1.941 478 Q HA -0.238 4.102 4.340 0.001 0.000 0.201 478 Q C 2.157 178.156 176.000 -0.002 0.000 0.982 478 Q CA 1.889 57.690 55.803 -0.003 0.000 0.839 478 Q CB -0.266 28.468 28.738 -0.007 0.000 0.904 478 Q HN 0.665 nan 8.270 nan 0.000 0.427 479 E N 1.114 121.310 120.200 -0.006 0.000 2.038 479 E HA -0.194 4.156 4.350 0.001 0.000 0.195 479 E C 0.474 177.074 176.600 -0.001 0.000 1.000 479 E CA 0.812 57.209 56.400 -0.006 0.000 0.803 479 E CB -0.205 29.488 29.700 -0.011 0.000 0.750 479 E HN 0.057 nan 8.360 nan 0.000 0.448 480 E N 1.398 121.601 120.200 0.005 0.000 2.351 480 E HA 0.015 4.366 4.350 0.001 0.000 0.266 480 E C 0.257 176.867 176.600 0.018 0.000 1.031 480 E CA 0.307 56.717 56.400 0.016 0.000 0.911 480 E CB 0.205 29.926 29.700 0.036 0.000 0.986 480 E HN 0.413 nan 8.360 nan 0.000 0.446 481 L N 1.958 123.187 121.223 0.010 0.000 4.204 481 L HA -0.428 3.912 4.340 0.001 0.000 0.486 481 L C -0.094 176.780 176.870 0.006 0.000 1.072 481 L CA 0.964 55.807 54.840 0.005 0.000 0.798 481 L CB -1.847 40.215 42.059 0.005 0.000 1.766 481 L HN 0.694 nan 8.230 nan 0.000 0.877 482 D N -0.364 120.039 120.400 0.004 0.000 4.597 482 D HA -0.340 4.300 4.640 0.001 0.000 0.241 482 D C 0.615 176.921 176.300 0.011 0.000 0.587 482 D CA 2.717 56.718 54.000 0.002 0.000 1.574 482 D CB -0.634 40.161 40.800 -0.008 0.000 0.966 482 D HN 0.756 nan 8.370 nan 0.000 0.383 483 I N 0.153 120.729 120.570 0.009 0.000 7.137 483 I HA -0.176 3.994 4.170 0.001 0.000 0.126 483 I C 0.100 176.226 176.117 0.015 0.000 1.835 483 I CA 0.182 61.496 61.300 0.023 0.000 2.037 483 I CB -0.576 37.456 38.000 0.053 0.000 3.601 483 I HN 0.302 nan 8.210 nan 0.000 0.169 484 D N 4.073 124.464 120.400 -0.016 0.000 2.357 484 D HA -0.049 4.592 4.640 0.001 0.000 0.216 484 D C 0.623 176.937 176.300 0.023 0.000 0.973 484 D CA 1.287 55.269 54.000 -0.031 0.000 0.912 484 D CB 0.170 40.897 40.800 -0.121 0.000 0.900 484 D HN 0.321 nan 8.370 nan 0.000 0.501 485 V N 1.288 121.241 119.914 0.066 0.000 2.671 485 V HA 0.172 4.292 4.120 0.001 0.000 0.292 485 V C 0.062 176.216 176.094 0.100 0.000 1.115 485 V CA -0.745 61.622 62.300 0.112 0.000 0.918 485 V CB 1.978 33.925 31.823 0.208 0.000 1.036 485 V HN -0.124 nan 8.190 nan 0.000 0.445 486 L N 3.963 125.235 121.223 0.081 0.000 2.657 486 L HA 0.883 5.223 4.340 0.001 0.000 0.240 486 L C -0.334 176.588 176.870 0.086 0.000 1.151 486 L CA -0.953 53.931 54.840 0.072 0.000 0.831 486 L CB 1.226 43.307 42.059 0.036 0.000 1.539 486 L HN 0.374 nan 8.230 nan 0.000 0.511 487 V N -2.255 117.700 119.914 0.068 0.000 3.216 487 V HA 0.154 4.274 4.120 0.001 0.000 0.302 487 V C 0.141 176.267 176.094 0.055 0.000 1.286 487 V CA -0.644 61.723 62.300 0.111 0.000 1.048 487 V CB 1.888 33.790 31.823 0.133 0.000 1.081 487 V HN 0.878 nan 8.190 nan 0.000 0.442 488 H N 0.731 119.803 119.070 0.003 0.000 2.547 488 H HA 0.170 4.727 4.556 0.001 0.000 0.266 488 H C 1.213 176.504 175.328 -0.061 0.000 0.988 488 H CA 0.704 56.739 56.048 -0.021 0.000 1.147 488 H CB -0.088 29.706 29.762 0.054 0.000 1.365 488 H HN 1.261 nan 8.280 nan 0.000 0.589 489 G N 1.811 110.384 108.800 -0.378 0.000 2.225 489 G HA2 -0.370 3.591 3.960 0.001 0.000 0.267 489 G HA3 -0.370 3.591 3.960 0.001 0.000 0.267 489 G C 0.047 174.778 174.900 -0.281 0.000 1.024 489 G CA 0.384 45.367 45.100 -0.195 0.000 0.784 489 G HN 0.608 nan 8.290 nan 0.000 0.507 490 E N -1.415 118.367 120.200 -0.696 0.000 2.170 490 E HA -0.270 4.080 4.350 0.001 0.000 0.214 490 E C -0.051 176.385 176.600 -0.273 0.000 1.344 490 E CA 0.542 56.666 56.400 -0.459 0.000 0.714 490 E CB -0.397 29.151 29.700 -0.254 0.000 1.112 490 E HN 0.609 nan 8.360 nan 0.000 0.350 491 P HA -0.228 nan 4.420 nan 0.000 0.213 491 P C 0.894 178.031 177.300 -0.271 0.000 1.170 491 P CA 1.792 64.783 63.100 -0.181 0.000 0.898 491 P CB 0.043 31.665 31.700 -0.130 0.000 0.787 492 E N 0.083 120.039 120.200 -0.407 0.000 2.492 492 E HA -0.136 4.215 4.350 0.001 0.000 0.204 492 E C 0.430 176.716 176.600 -0.522 0.000 1.073 492 E CA 0.784 56.856 56.400 -0.546 0.000 0.887 492 E CB -0.972 28.136 29.700 -0.987 0.000 0.813 492 E HN 0.413 nan 8.360 nan 0.000 0.562 493 R N 0.757 120.949 120.500 -0.514 0.000 2.409 493 R HA 0.355 4.695 4.340 0.001 0.000 0.313 493 R C -0.024 176.134 176.300 -0.237 0.000 0.953 493 R CA -0.580 55.198 56.100 -0.537 0.000 0.849 493 R CB 1.053 30.877 30.300 -0.794 0.000 1.171 493 R HN -0.037 nan 8.270 nan 0.000 0.458 494 N N 1.200 119.826 118.700 -0.124 0.000 2.143 494 N HA -0.091 4.650 4.740 0.001 0.000 0.190 494 N C 0.259 175.765 175.510 -0.008 0.000 1.058 494 N CA 1.113 54.133 53.050 -0.050 0.000 0.860 494 N CB -0.055 38.425 38.487 -0.013 0.000 1.044 494 N HN 0.531 nan 8.380 nan 0.000 0.445 498 E N 0.155 120.580 120.200 0.375 0.000 2.051 498 E HA -0.226 4.124 4.350 0.001 0.000 0.192 498 E C 1.894 178.628 176.600 0.223 0.000 0.991 498 E CA 1.961 58.612 56.400 0.418 0.000 0.799 498 E CB -0.138 29.766 29.700 0.339 0.000 0.748 498 E HN 0.650 nan 8.360 nan 0.000 0.449 499 Y N 1.301 121.569 120.300 -0.053 0.000 1.997 499 Y HA -0.343 4.207 4.550 0.001 0.000 0.265 499 Y C 2.024 177.748 175.900 -0.293 0.000 1.193 499 Y CA 2.034 59.963 58.100 -0.286 0.000 1.106 499 Y CB -0.844 37.280 38.460 -0.560 0.000 0.940 499 Y HN -0.032 nan 8.280 nan 0.000 0.494 500 F N -0.218 119.723 119.950 -0.015 0.000 2.234 500 F HA -0.005 4.523 4.527 0.001 0.000 0.299 500 F C 2.642 178.258 175.800 -0.308 0.000 1.087 500 F CA 1.162 59.048 58.000 -0.190 0.000 1.340 500 F CB -1.258 37.709 39.000 -0.056 0.000 1.031 500 F HN 0.152 nan 8.300 nan 0.000 0.500 501 G N 0.165 108.890 108.800 -0.125 0.000 2.433 501 G HA2 -0.213 3.748 3.960 0.001 0.000 0.216 501 G HA3 -0.213 3.748 3.960 0.001 0.000 0.216 501 G C 1.504 176.502 174.900 0.164 0.000 1.186 501 G CA 0.800 45.657 45.100 -0.404 0.000 0.779 501 G HN 0.393 nan 8.290 nan 0.000 0.543 502 E N 0.586 120.883 120.200 0.162 0.000 2.130 502 E HA -0.185 4.165 4.350 0.001 0.000 0.196 502 E C 1.909 178.502 176.600 -0.011 0.000 0.998 502 E CA 1.017 57.386 56.400 -0.052 0.000 0.806 502 E CB -0.193 29.315 29.700 -0.321 0.000 0.738 502 E HN 0.551 nan 8.360 nan 0.000 0.459 503 Q N 0.499 120.237 119.800 -0.103 0.000 2.247 503 Q HA 0.240 4.580 4.340 0.001 0.000 0.234 503 Q C -0.044 175.944 176.000 -0.020 0.000 0.899 503 Q CA 0.095 55.844 55.803 -0.090 0.000 0.951 503 Q CB 0.191 28.807 28.738 -0.204 0.000 1.057 503 Q HN 0.214 nan 8.270 nan 0.000 0.444 504 L N -1.908 119.334 121.223 0.031 0.000 2.322 504 L HA 0.310 4.651 4.340 0.001 0.000 0.252 504 L C 0.914 177.896 176.870 0.187 0.000 1.055 504 L CA -0.422 54.459 54.840 0.068 0.000 0.849 504 L CB 1.803 43.824 42.059 -0.063 0.000 1.446 504 L HN -0.032 nan 8.230 nan 0.000 0.416 505 S N 0.624 116.429 115.700 0.174 0.000 2.355 505 S HA -0.062 4.409 4.470 0.001 0.000 0.210 505 S C 1.311 175.956 174.600 0.076 0.000 1.035 505 S CA 1.383 59.664 58.200 0.136 0.000 1.011 505 S CB -0.421 62.826 63.200 0.077 0.000 1.000 505 S HN 0.874 nan 8.310 nan 0.000 0.423 506 G N 0.629 109.428 108.800 -0.002 0.000 3.318 506 G HA2 0.252 4.212 3.960 0.001 0.000 0.230 506 G HA3 0.252 4.212 3.960 0.001 0.000 0.230 506 G C -0.464 174.171 174.900 -0.443 0.000 1.317 506 G CA -0.175 44.639 45.100 -0.477 0.000 1.197 506 G HN 0.326 nan 8.290 nan 0.000 0.514 507 F N 0.638 120.578 119.950 -0.017 0.000 2.449 507 F HA 0.676 5.204 4.527 0.001 0.000 0.342 507 F C 0.400 176.580 175.800 0.633 0.000 1.127 507 F CA -1.220 56.947 58.000 0.277 0.000 0.975 507 F CB 2.006 41.153 39.000 0.247 0.000 1.146 507 F HN 0.135 nan 8.300 nan 0.000 0.444 508 A N 3.185 126.368 122.820 0.605 0.000 2.350 508 A HA 0.914 5.235 4.320 0.001 0.000 0.318 508 A C -1.743 175.900 177.584 0.099 0.000 1.132 508 A CA -0.490 51.765 52.037 0.364 0.000 0.811 508 A CB 0.983 19.953 19.000 -0.049 0.000 1.313 508 A HN 0.515 nan 8.150 nan 0.000 0.454 509 F N -0.022 120.018 119.950 0.150 0.000 2.561 509 F HA 0.482 5.009 4.527 0.001 0.000 0.313 509 F C 0.761 176.602 175.800 0.068 0.000 1.126 509 F CA -0.262 57.813 58.000 0.124 0.000 0.918 509 F CB 2.428 41.502 39.000 0.123 0.000 1.199 509 F HN 0.638 nan 8.300 nan 0.000 0.444 510 T N -0.778 113.883 114.554 0.179 0.000 2.909 510 T HA 0.630 4.981 4.350 0.001 0.000 0.289 510 T C 0.797 175.580 174.700 0.138 0.000 1.005 510 T CA -0.184 61.994 62.100 0.131 0.000 1.084 510 T CB 1.842 70.795 68.868 0.142 0.000 0.975 510 T HN 0.684 nan 8.240 nan 0.000 0.509 511 A N 2.063 124.955 122.820 0.121 0.000 1.855 511 A HA 0.107 4.427 4.320 0.001 0.000 0.213 511 A C 1.987 179.698 177.584 0.212 0.000 1.195 511 A CA 0.464 52.584 52.037 0.139 0.000 0.610 511 A CB -0.355 18.702 19.000 0.095 0.000 0.837 511 A HN 0.796 nan 8.150 nan 0.000 0.444 512 N N -0.366 118.469 118.700 0.225 0.000 2.200 512 N HA 0.097 4.837 4.740 0.001 0.000 0.224 512 N C 0.530 176.313 175.510 0.456 0.000 1.179 512 N CA 0.474 53.750 53.050 0.376 0.000 0.877 512 N CB 0.636 39.277 38.487 0.257 0.000 1.072 512 N HN 0.327 nan 8.380 nan 0.000 0.519 513 G N 0.600 109.589 108.800 0.315 0.000 2.778 513 G HA2 0.112 4.073 3.960 0.001 0.000 0.287 513 G HA3 0.112 4.073 3.960 0.001 0.000 0.287 513 G C -0.615 174.281 174.900 -0.007 0.000 0.747 513 G CA -0.211 45.059 45.100 0.283 0.000 1.961 513 G HN 0.114 nan 8.290 nan 0.000 0.539 514 W N 0.916 122.263 121.300 0.078 0.000 2.509 514 W HA 0.626 5.287 4.660 0.001 0.000 0.351 514 W C -0.144 176.388 176.519 0.021 0.000 1.107 514 W CA -0.639 56.741 57.345 0.057 0.000 1.264 514 W CB 1.853 31.342 29.460 0.049 0.000 1.312 514 W HN 0.156 nan 8.180 nan 0.000 0.608 515 V N 1.037 121.127 119.914 0.294 0.000 3.007 515 V HA 0.332 4.452 4.120 0.001 0.000 0.311 515 V C -0.486 175.732 176.094 0.206 0.000 1.120 515 V CA -1.366 61.048 62.300 0.190 0.000 0.980 515 V CB 1.681 33.621 31.823 0.194 0.000 1.033 515 V HN 0.511 nan 8.190 nan 0.000 0.429 516 Q N 0.570 120.452 119.800 0.138 0.000 2.230 516 Q HA 0.463 4.803 4.340 0.001 0.000 0.248 516 Q C 0.511 176.678 176.000 0.279 0.000 0.915 516 Q CA 0.070 55.966 55.803 0.155 0.000 0.900 516 Q CB 1.675 30.461 28.738 0.081 0.000 1.229 516 Q HN 0.841 nan 8.270 nan 0.000 0.439 517 S N 2.399 118.251 115.700 0.253 0.000 2.665 517 S HA 0.182 4.652 4.470 0.001 0.000 0.240 517 S C -1.253 173.537 174.600 0.316 0.000 1.081 517 S CA 0.121 58.518 58.200 0.329 0.000 0.887 517 S CB 0.320 63.672 63.200 0.253 0.000 0.805 517 S HN 0.636 nan 8.310 nan 0.000 0.486 518 Y N -2.299 117.981 120.300 -0.033 0.000 2.469 518 Y HA 0.431 4.981 4.550 0.001 0.000 0.335 518 Y C 0.062 175.763 175.900 -0.331 0.000 1.313 518 Y CA -0.722 57.248 58.100 -0.216 0.000 1.324 518 Y CB -0.114 38.210 38.460 -0.227 0.000 1.321 518 Y HN 0.435 nan 8.280 nan 0.000 0.477 519 G N 2.617 110.852 108.800 -0.942 0.000 2.611 519 G HA2 -0.319 3.642 3.960 0.001 0.000 0.301 519 G HA3 -0.319 3.642 3.960 0.001 0.000 0.301 519 G C 1.009 175.572 174.900 -0.562 0.000 1.233 519 G CA 1.557 45.811 45.100 -1.410 0.000 0.993 519 G HN 2.174 nan 8.290 nan 0.000 0.553 520 S N 0.234 115.761 115.700 -0.289 0.000 2.593 520 S HA 0.392 4.862 4.470 0.001 0.000 0.217 520 S C 1.052 175.449 174.600 -0.338 0.000 0.966 520 S CA 0.891 58.950 58.200 -0.235 0.000 0.914 520 S CB 0.298 63.404 63.200 -0.155 0.000 0.776 520 S HN 0.702 nan 8.310 nan 0.000 0.523 521 R N 0.346 120.579 120.500 -0.446 0.000 2.500 521 R HA 0.720 5.060 4.340 0.001 0.000 0.275 521 R C -0.431 175.786 176.300 -0.138 0.000 1.051 521 R CA -0.068 55.837 56.100 -0.326 0.000 1.088 521 R CB 0.786 30.831 30.300 -0.426 0.000 1.063 521 R HN 0.346 nan 8.270 nan 0.000 0.511 522 C N 0.087 119.403 119.300 0.026 0.000 3.335 522 C HA 0.812 5.272 4.460 0.001 0.000 0.356 522 C C -1.119 174.106 174.990 0.392 0.000 1.570 522 C CA -0.835 58.323 59.018 0.233 0.000 1.271 522 C CB 1.791 29.718 27.740 0.311 0.000 1.873 522 C HN 0.650 nan 8.230 nan 0.000 0.439 523 V N -0.646 119.501 119.914 0.389 0.000 2.817 523 V HA 0.624 4.744 4.120 0.001 0.000 0.303 523 V C -1.167 174.771 176.094 -0.260 0.000 1.151 523 V CA -0.515 61.822 62.300 0.063 0.000 0.929 523 V CB 1.627 33.425 31.823 -0.042 0.000 1.030 523 V HN 0.936 nan 8.190 nan 0.000 0.427 524 K N 5.123 125.060 120.400 -0.771 0.000 2.299 524 K HA 0.631 4.951 4.320 0.001 0.000 0.268 524 K C -2.682 173.753 176.600 -0.274 0.000 1.075 524 K CA -1.761 54.068 56.287 -0.762 0.000 0.936 524 K CB 1.253 32.959 32.500 -1.322 0.000 1.228 524 K HN 0.627 nan 8.250 nan 0.000 0.454 525 P HA 0.201 nan 4.420 nan 0.000 0.275 525 P C -2.576 174.766 177.300 0.069 0.000 1.227 525 P CA -1.229 61.882 63.100 0.018 0.000 0.781 525 P CB 0.639 32.281 31.700 -0.098 0.000 0.906 526 P HA 0.083 nan 4.420 nan 0.000 0.272 526 P C -0.845 176.384 177.300 -0.119 0.000 1.240 526 P CA 0.075 63.041 63.100 -0.223 0.000 0.791 526 P CB 0.472 32.137 31.700 -0.058 0.000 0.978 527 V N 2.910 122.680 119.914 -0.240 0.000 2.417 527 V HA 0.334 4.455 4.120 0.001 0.000 0.291 527 V C 0.236 176.268 176.094 -0.104 0.000 1.024 527 V CA -0.365 61.912 62.300 -0.038 0.000 0.861 527 V CB 1.252 33.088 31.823 0.021 0.000 0.985 527 V HN 0.357 nan 8.190 nan 0.000 0.436 528 I N 5.909 126.415 120.570 -0.108 0.000 2.310 528 I HA 0.222 4.392 4.170 0.001 0.000 0.287 528 I C 0.852 177.024 176.117 0.093 0.000 1.073 528 I CA -0.327 60.773 61.300 -0.333 0.000 1.216 528 I CB 0.332 38.033 38.000 -0.497 0.000 1.415 528 I HN 0.839 nan 8.210 nan 0.000 0.480 529 Y N 4.257 124.603 120.300 0.077 0.000 2.269 529 Y HA 0.497 5.047 4.550 0.001 0.000 0.294 529 Y C 1.148 177.025 175.900 -0.039 0.000 1.120 529 Y CA 0.005 58.170 58.100 0.108 0.000 1.159 529 Y CB -0.209 38.432 38.460 0.302 0.000 1.024 529 Y HN 0.340 nan 8.280 nan 0.000 0.532 530 G N -0.268 108.252 108.800 -0.466 0.000 2.818 530 G HA2 0.355 4.316 3.960 0.001 0.000 0.286 530 G HA3 0.355 4.316 3.960 0.001 0.000 0.286 530 G C -1.870 172.883 174.900 -0.246 0.000 1.364 530 G CA -1.058 43.868 45.100 -0.288 0.000 0.938 530 G HN 0.064 nan 8.290 nan 0.000 0.490 531 D N 0.465 120.782 120.400 -0.138 0.000 2.662 531 D HA 0.191 4.831 4.640 0.001 0.000 0.237 531 D C 0.881 177.156 176.300 -0.041 0.000 1.154 531 D CA 0.409 54.362 54.000 -0.078 0.000 0.861 531 D CB 0.660 41.432 40.800 -0.047 0.000 1.146 531 D HN 0.171 nan 8.370 nan 0.000 0.518 532 V N 2.136 122.056 119.914 0.010 0.000 2.740 532 V HA 0.356 4.477 4.120 0.001 0.000 0.303 532 V C 0.653 176.793 176.094 0.076 0.000 1.054 532 V CA 0.119 62.480 62.300 0.102 0.000 1.106 532 V CB 1.216 33.156 31.823 0.196 0.000 0.957 532 V HN 0.621 nan 8.190 nan 0.000 0.486 533 S N 3.916 119.668 115.700 0.088 0.000 2.582 533 S HA 0.341 4.812 4.470 0.001 0.000 0.287 533 S C -0.805 173.833 174.600 0.063 0.000 1.146 533 S CA -0.876 57.361 58.200 0.062 0.000 0.941 533 S CB 1.175 64.403 63.200 0.047 0.000 1.115 533 S HN 0.818 nan 8.310 nan 0.000 0.458 534 R N 4.877 125.408 120.500 0.052 0.000 2.755 534 R HA 0.357 4.697 4.340 0.001 0.000 0.268 534 R C -2.091 174.235 176.300 0.044 0.000 1.295 534 R CA -1.727 54.402 56.100 0.049 0.000 1.379 534 R CB 0.242 30.571 30.300 0.048 0.000 1.170 534 R HN 0.483 nan 8.270 nan 0.000 0.584 535 P HA -0.065 nan 4.420 nan 0.000 0.220 535 P C -0.520 176.802 177.300 0.037 0.000 1.148 535 P CA 1.210 64.333 63.100 0.039 0.000 0.803 535 P CB 0.336 32.060 31.700 0.041 0.000 0.782 536 K N -0.993 119.431 120.400 0.039 0.000 2.340 536 K HA 0.639 4.960 4.320 0.001 0.000 0.244 536 K C -0.178 176.451 176.600 0.049 0.000 0.973 536 K CA -1.023 55.287 56.287 0.040 0.000 0.828 536 K CB 2.362 34.882 32.500 0.034 0.000 1.226 536 K HN -0.152 nan 8.250 nan 0.000 0.437 540 V N 1.673 121.692 119.914 0.175 0.000 0.670 540 V HA -0.414 3.707 4.120 0.001 0.000 0.092 540 V C 1.618 177.737 176.094 0.042 0.000 1.222 540 V CA 2.967 65.321 62.300 0.090 0.000 3.193 540 V CB -1.849 30.018 31.823 0.073 0.000 0.429 540 V HN 0.586 nan 8.190 nan 0.000 0.411 541 F N 0.192 120.066 119.950 -0.127 0.000 2.054 541 F HA -0.331 4.196 4.527 0.001 0.000 0.294 541 F C 2.049 177.679 175.800 -0.285 0.000 1.126 541 F CA 3.171 60.978 58.000 -0.321 0.000 1.226 541 F CB -0.523 38.100 39.000 -0.628 0.000 0.947 541 F HN 0.412 nan 8.300 nan 0.000 0.509 542 W N -0.432 121.097 121.300 0.382 0.000 2.388 542 W HA -0.080 4.581 4.660 0.001 0.000 0.294 542 W C 2.659 179.154 176.519 -0.040 0.000 1.212 542 W CA 0.936 58.405 57.345 0.207 0.000 1.271 542 W CB -1.072 28.504 29.460 0.194 0.000 1.126 542 W HN -0.118 nan 8.180 nan 0.000 0.535 543 S N 0.318 116.070 115.700 0.087 0.000 2.368 543 S HA 0.063 4.533 4.470 0.001 0.000 0.224 543 S C 1.513 176.102 174.600 -0.018 0.000 1.029 543 S CA 0.760 58.929 58.200 -0.051 0.000 0.988 543 S CB -0.930 62.252 63.200 -0.030 0.000 0.838 543 S HN 0.186 nan 8.310 nan 0.000 0.462 547 Q N 2.170 121.979 119.800 0.015 0.000 2.837 547 Q HA 0.558 4.898 4.340 0.001 0.000 0.235 547 Q C -0.133 175.863 176.000 -0.007 0.000 1.348 547 Q CA 0.810 56.620 55.803 0.011 0.000 0.990 547 Q CB -0.547 28.200 28.738 0.015 0.000 1.570 547 Q HN 1.028 nan 8.270 nan 0.000 0.575 551 S N 1.380 117.084 115.700 0.007 0.000 2.592 551 S HA 0.572 5.043 4.470 0.001 0.000 0.243 551 S C 0.062 174.670 174.600 0.013 0.000 1.160 551 S CA -0.741 57.464 58.200 0.008 0.000 1.145 551 S CB -0.195 63.007 63.200 0.003 0.000 0.909 551 S HN 0.627 nan 8.310 nan 0.000 0.487 552 R N 0.537 121.049 120.500 0.019 0.000 2.771 552 R HA 0.610 4.950 4.340 0.001 0.000 0.274 552 R C -3.084 173.242 176.300 0.043 0.000 0.987 552 R CA -2.179 53.938 56.100 0.028 0.000 0.908 552 R CB 0.848 31.163 30.300 0.025 0.000 1.213 552 R HN 0.140 nan 8.270 nan 0.000 0.468 559 T N 0.901 115.315 114.554 -0.233 0.000 2.772 559 T HA 0.462 4.813 4.350 0.001 0.000 0.288 559 T C 0.352 175.004 174.700 -0.081 0.000 0.994 559 T CA -0.253 61.816 62.100 -0.051 0.000 0.951 559 T CB 1.427 70.337 68.868 0.071 0.000 0.933 559 T HN 0.760 nan 8.240 nan 0.000 0.447 560 G N 4.256 113.087 108.800 0.052 0.000 2.568 560 G HA2 0.147 4.108 3.960 0.001 0.000 0.231 560 G HA3 0.147 4.108 3.960 0.001 0.000 0.231 560 G C -1.032 173.902 174.900 0.056 0.000 1.261 560 G CA -0.928 44.233 45.100 0.103 0.000 0.855 560 G HN 0.431 nan 8.290 nan 0.000 0.576 561 P HA -0.012 nan 4.420 nan 0.000 0.241 561 P C 1.570 178.935 177.300 0.108 0.000 1.191 561 P CA 0.130 63.283 63.100 0.088 0.000 0.771 561 P CB 0.410 32.166 31.700 0.094 0.000 0.929 562 V N 0.182 120.145 119.914 0.080 0.000 2.379 562 V HA -0.123 3.998 4.120 0.001 0.000 0.243 562 V C 2.556 178.647 176.094 -0.005 0.000 1.035 562 V CA 2.255 64.592 62.300 0.061 0.000 1.035 562 V CB -1.295 30.509 31.823 -0.033 0.000 0.673 562 V HN 0.132 nan 8.190 nan 0.000 0.457 563 T N 0.624 115.123 114.554 -0.091 0.000 2.595 563 T HA -0.215 4.135 4.350 0.001 0.000 0.264 563 T C 1.798 176.444 174.700 -0.090 0.000 1.058 563 T CA 2.239 64.170 62.100 -0.282 0.000 1.166 563 T CB -0.352 68.350 68.868 -0.277 0.000 0.863 563 T HN 0.302 nan 8.240 nan 0.000 0.415 564 I N 0.583 121.207 120.570 0.089 0.000 2.113 564 I HA -0.271 3.900 4.170 0.001 0.000 0.242 564 I C 2.382 178.654 176.117 0.258 0.000 1.057 564 I CA 1.358 62.805 61.300 0.245 0.000 1.314 564 I CB -0.500 37.651 38.000 0.250 0.000 1.022 564 I HN 0.183 nan 8.210 nan 0.000 0.408 565 L N 1.024 122.362 121.223 0.191 0.000 1.955 565 L HA -0.271 4.069 4.340 0.001 0.000 0.213 565 L C 2.267 179.228 176.870 0.152 0.000 1.072 565 L CA 2.070 57.014 54.840 0.173 0.000 0.755 565 L CB -0.809 41.360 42.059 0.182 0.000 0.888 565 L HN 0.221 nan 8.230 nan 0.000 0.432 566 N N -0.608 118.158 118.700 0.110 0.000 2.007 566 N HA -0.225 4.515 4.740 0.001 0.000 0.197 566 N C 0.357 175.983 175.510 0.193 0.000 1.050 566 N CA 1.436 54.538 53.050 0.086 0.000 0.856 566 N CB -0.691 37.753 38.487 -0.073 0.000 1.050 566 N HN 0.390 nan 8.380 nan 0.000 0.423 567 W N 1.974 123.315 121.300 0.069 0.000 1.371 567 W HA 0.455 5.115 4.660 0.001 0.000 0.482 567 W C 0.432 176.963 176.519 0.021 0.000 0.640 567 W CA -0.381 56.982 57.345 0.031 0.000 2.164 567 W CB -1.478 28.031 29.460 0.083 0.000 1.613 567 W HN -0.123 nan 8.180 nan 0.000 0.212 568 S N 0.552 116.323 115.700 0.119 0.000 2.678 568 S HA 0.323 4.793 4.470 0.001 0.000 0.290 568 S C -1.281 173.270 174.600 -0.083 0.000 1.047 568 S CA -0.788 57.438 58.200 0.044 0.000 0.851 568 S CB -0.093 63.203 63.200 0.160 0.000 1.058 568 S HN -0.056 nan 8.310 nan 0.000 0.451 569 F N 3.219 123.165 119.950 -0.007 0.000 2.541 569 F HA 0.315 4.842 4.527 0.001 0.000 0.347 569 F C 0.724 176.601 175.800 0.129 0.000 1.242 569 F CA -0.135 57.862 58.000 -0.004 0.000 1.123 569 F CB 0.398 39.289 39.000 -0.181 0.000 1.354 569 F HN 0.309 nan 8.300 nan 0.000 0.621 570 V N 4.436 124.502 119.914 0.254 0.000 2.811 570 V HA 0.133 4.253 4.120 0.001 0.000 0.302 570 V C 0.555 176.879 176.094 0.383 0.000 1.063 570 V CA -0.889 61.544 62.300 0.221 0.000 1.088 570 V CB 0.738 32.625 31.823 0.107 0.000 0.982 570 V HN 0.643 nan 8.190 nan 0.000 0.485 571 R N 3.860 124.474 120.500 0.189 0.000 2.570 571 R HA 0.106 4.446 4.340 0.001 0.000 0.277 571 R C 0.471 176.700 176.300 -0.119 0.000 1.039 571 R CA -0.111 55.920 56.100 -0.115 0.000 1.065 571 R CB -0.001 30.058 30.300 -0.402 0.000 0.964 571 R HN 0.790 nan 8.270 nan 0.000 0.428 572 N N 1.876 120.445 118.700 -0.220 0.000 2.375 572 N HA -0.080 4.660 4.740 0.001 0.000 0.220 572 N C -0.618 174.803 175.510 -0.147 0.000 1.170 572 N CA 0.046 53.058 53.050 -0.063 0.000 0.833 572 N CB 0.181 38.731 38.487 0.106 0.000 1.069 572 N HN 0.799 nan 8.380 nan 0.000 0.479 573 D N -0.894 119.367 120.400 -0.230 0.000 2.423 573 D HA -0.036 4.605 4.640 0.001 0.000 0.212 573 D C 0.360 176.565 176.300 -0.159 0.000 1.060 573 D CA 0.426 54.303 54.000 -0.205 0.000 0.872 573 D CB 0.018 40.650 40.800 -0.280 0.000 1.012 573 D HN 0.589 nan 8.370 nan 0.000 0.503 574 Q N -0.104 119.596 119.800 -0.166 0.000 2.359 574 Q HA 0.612 4.953 4.340 0.001 0.000 0.274 574 Q C -3.071 172.814 176.000 -0.192 0.000 1.074 574 Q CA -2.204 53.499 55.803 -0.165 0.000 0.810 574 Q CB 2.055 30.682 28.738 -0.185 0.000 1.342 574 Q HN -0.297 nan 8.270 nan 0.000 0.427 575 P HA -0.064 nan 4.420 nan 0.000 0.263 575 P C 0.178 177.195 177.300 -0.471 0.000 1.175 575 P CA 0.056 63.008 63.100 -0.247 0.000 0.761 575 P CB 0.602 32.221 31.700 -0.134 0.000 0.794 576 R N 2.608 122.919 120.500 -0.316 0.000 2.179 576 R HA -0.290 4.050 4.340 0.001 0.000 0.238 576 R C 2.271 178.086 176.300 -0.809 0.000 1.119 576 R CA 2.406 58.264 56.100 -0.403 0.000 0.915 576 R CB -1.483 28.691 30.300 -0.210 0.000 0.870 576 R HN 0.767 nan 8.270 nan 0.000 0.432 577 H N 0.291 118.511 119.070 -1.416 0.000 2.325 577 H HA -0.207 4.349 4.556 0.001 0.000 0.293 577 H C 1.786 176.642 175.328 -0.786 0.000 1.106 577 H CA 1.974 57.034 56.048 -1.647 0.000 1.247 577 H CB -0.773 27.857 29.762 -1.887 0.000 1.359 577 H HN 0.452 nan 8.280 nan 0.000 0.488 578 E N 0.637 120.143 120.200 -1.156 0.000 2.147 578 E HA -0.160 4.191 4.350 0.001 0.000 0.199 578 E C 1.928 178.381 176.600 -0.244 0.000 1.005 578 E CA 2.229 58.352 56.400 -0.462 0.000 0.810 578 E CB 0.093 29.493 29.700 -0.501 0.000 0.736 578 E HN 0.598 nan 8.360 nan 0.000 0.460 579 T N -0.450 113.914 114.554 -0.317 0.000 2.851 579 T HA -0.130 4.221 4.350 0.001 0.000 0.262 579 T C 1.896 176.528 174.700 -0.114 0.000 1.043 579 T CA 0.852 62.849 62.100 -0.172 0.000 1.140 579 T CB -0.456 68.313 68.868 -0.164 0.000 0.872 579 T HN 0.363 nan 8.240 nan 0.000 0.446 580 C N 0.954 120.123 119.300 -0.219 0.000 2.398 580 C HA -0.155 4.306 4.460 0.001 0.000 0.276 580 C C 2.346 177.320 174.990 -0.026 0.000 1.222 580 C CA 0.665 59.614 59.018 -0.114 0.000 1.746 580 C CB -1.438 26.197 27.740 -0.174 0.000 2.039 580 C HN 0.570 nan 8.230 nan 0.000 0.470 581 Y N 1.275 121.550 120.300 -0.042 0.000 2.128 581 Y HA -0.195 4.355 4.550 0.001 0.000 0.284 581 Y C 2.662 178.543 175.900 -0.032 0.000 1.154 581 Y CA 1.989 60.063 58.100 -0.044 0.000 1.149 581 Y CB -1.258 37.151 38.460 -0.085 0.000 0.976 581 Y HN 0.488 nan 8.280 nan 0.000 0.505 582 Q N -0.216 119.661 119.800 0.130 0.000 2.133 582 Q HA -0.230 4.111 4.340 0.001 0.000 0.208 582 Q C 2.274 178.321 176.000 0.079 0.000 0.991 582 Q CA 2.185 58.029 55.803 0.069 0.000 0.867 582 Q CB -0.516 28.238 28.738 0.028 0.000 0.911 582 Q HN 0.528 nan 8.270 nan 0.000 0.417 583 I N 0.419 121.044 120.570 0.093 0.000 2.315 583 I HA -0.248 3.923 4.170 0.001 0.000 0.248 583 I C 2.457 178.623 176.117 0.081 0.000 1.117 583 I CA 0.810 62.174 61.300 0.107 0.000 1.404 583 I CB -0.469 37.614 38.000 0.138 0.000 1.071 583 I HN 0.161 nan 8.210 nan 0.000 0.419 584 A N 0.964 123.844 122.820 0.100 0.000 1.908 584 A HA -0.183 4.137 4.320 0.001 0.000 0.218 584 A C 2.154 179.769 177.584 0.052 0.000 1.181 584 A CA 1.571 53.662 52.037 0.090 0.000 0.627 584 A CB -0.706 18.393 19.000 0.165 0.000 0.818 584 A HN 0.285 nan 8.150 nan 0.000 0.445 585 L N -0.358 120.899 121.223 0.056 0.000 2.046 585 L HA -0.112 4.229 4.340 0.001 0.000 0.208 585 L C 3.015 179.898 176.870 0.022 0.000 1.077 585 L CA 1.878 56.735 54.840 0.028 0.000 0.747 585 L CB -0.979 41.094 42.059 0.024 0.000 0.896 585 L HN 0.388 nan 8.230 nan 0.000 0.432 586 A N -0.232 122.607 122.820 0.032 0.000 1.948 586 A HA -0.204 4.117 4.320 0.001 0.000 0.220 586 A C 2.148 179.739 177.584 0.012 0.000 1.177 586 A CA 1.817 53.871 52.037 0.029 0.000 0.636 586 A CB -0.672 18.355 19.000 0.044 0.000 0.815 586 A HN 0.328 nan 8.150 nan 0.000 0.449 587 I N -0.113 120.454 120.570 -0.005 0.000 2.315 587 I HA -0.182 3.988 4.170 0.001 0.000 0.248 587 I C 2.206 178.307 176.117 -0.027 0.000 1.117 587 I CA 1.673 62.952 61.300 -0.036 0.000 1.404 587 I CB -1.438 36.524 38.000 -0.064 0.000 1.071 587 I HN 0.443 nan 8.210 nan 0.000 0.419 588 K N 1.106 121.493 120.400 -0.022 0.000 2.242 588 K HA -0.265 4.055 4.320 0.001 0.000 0.206 588 K C 1.339 177.932 176.600 -0.012 0.000 1.045 588 K CA 1.982 58.255 56.287 -0.025 0.000 0.930 588 K CB 0.064 32.555 32.500 -0.016 0.000 0.726 588 K HN 0.299 nan 8.250 nan 0.000 0.462 589 D N 0.619 121.020 120.400 0.001 0.000 2.096 589 D HA -0.117 4.524 4.640 0.001 0.000 0.207 589 D C 1.645 177.958 176.300 0.022 0.000 0.976 589 D CA 0.942 54.951 54.000 0.014 0.000 0.875 589 D CB -0.348 40.466 40.800 0.024 0.000 1.009 589 D HN 0.127 nan 8.370 nan 0.000 0.449 590 E N 0.369 120.590 120.200 0.035 0.000 2.352 590 E HA -0.136 4.215 4.350 0.001 0.000 0.203 590 E C 2.090 178.718 176.600 0.047 0.000 1.024 590 E CA 0.344 56.780 56.400 0.060 0.000 0.842 590 E CB -0.116 29.638 29.700 0.090 0.000 0.753 590 E HN 0.201 nan 8.360 nan 0.000 0.508 591 V N 0.407 120.331 119.914 0.017 0.000 2.426 591 V HA -0.132 3.989 4.120 0.001 0.000 0.242 591 V C 1.683 177.782 176.094 0.009 0.000 1.036 591 V CA 1.257 63.560 62.300 0.006 0.000 1.044 591 V CB -0.330 31.475 31.823 -0.030 0.000 0.688 591 V HN 0.162 nan 8.190 nan 0.000 0.462 592 E N 0.109 120.312 120.200 0.004 0.000 2.494 592 E HA -0.058 4.292 4.350 0.001 0.000 0.193 592 E C 0.774 177.381 176.600 0.012 0.000 1.074 592 E CA 0.470 56.873 56.400 0.005 0.000 0.867 592 E CB 0.078 29.778 29.700 -0.000 0.000 0.924 592 E HN 0.610 nan 8.360 nan 0.000 0.502 593 D N -0.477 119.936 120.400 0.022 0.000 2.470 593 D HA 0.094 4.734 4.640 0.001 0.000 0.238 593 D C 1.395 177.712 176.300 0.028 0.000 1.054 593 D CA 0.158 54.173 54.000 0.026 0.000 0.896 593 D CB 0.400 41.222 40.800 0.037 0.000 1.118 593 D HN 0.035 nan 8.370 nan 0.000 0.497 594 L N 0.718 121.963 121.223 0.037 0.000 2.478 594 L HA 0.078 4.419 4.340 0.001 0.000 0.223 594 L C 2.055 178.942 176.870 0.029 0.000 1.140 594 L CA 0.710 55.574 54.840 0.040 0.000 0.842 594 L CB 0.078 42.173 42.059 0.059 0.000 0.953 594 L HN 0.069 nan 8.230 nan 0.000 0.452 595 E N 0.685 120.899 120.200 0.022 0.000 2.024 595 E HA -0.152 4.198 4.350 0.001 0.000 0.190 595 E C 2.047 178.653 176.600 0.010 0.000 0.974 595 E CA 0.602 57.012 56.400 0.017 0.000 0.810 595 E CB 0.169 29.876 29.700 0.011 0.000 0.775 595 E HN 0.220 nan 8.360 nan 0.000 0.453 596 K N 0.085 120.490 120.400 0.007 0.000 2.074 596 K HA -0.142 4.178 4.320 0.001 0.000 0.209 596 K C 2.187 178.786 176.600 -0.003 0.000 1.048 596 K CA 1.235 57.523 56.287 0.002 0.000 0.926 596 K CB -0.478 32.023 32.500 0.002 0.000 0.713 596 K HN 0.306 nan 8.250 nan 0.000 0.444 597 G N 0.080 108.879 108.800 -0.002 0.000 2.485 597 G HA2 -0.178 3.782 3.960 0.001 0.000 0.221 597 G HA3 -0.178 3.782 3.960 0.001 0.000 0.221 597 G C 0.959 175.850 174.900 -0.016 0.000 1.115 597 G CA 1.204 46.295 45.100 -0.014 0.000 0.751 597 G HN 0.513 nan 8.290 nan 0.000 0.567 598 G N -1.428 107.371 108.800 -0.002 0.000 2.148 598 G HA2 -0.150 3.810 3.960 0.001 0.000 0.157 598 G HA3 -0.150 3.810 3.960 0.001 0.000 0.157 598 G C -0.019 174.888 174.900 0.012 0.000 1.012 598 G CA -0.163 44.937 45.100 0.001 0.000 0.677 598 G HN 0.371 nan 8.290 nan 0.000 0.506 599 I N 2.223 122.806 120.570 0.021 0.000 2.337 599 I HA 0.533 4.703 4.170 0.001 0.000 0.291 599 I C 1.735 177.881 176.117 0.047 0.000 1.046 599 I CA 0.613 61.935 61.300 0.037 0.000 1.324 599 I CB 1.070 39.098 38.000 0.046 0.000 1.409 599 I HN 0.084 nan 8.210 nan 0.000 0.494 600 G N 5.744 114.578 108.800 0.056 0.000 2.679 600 G HA2 -0.010 3.950 3.960 0.001 0.000 0.214 600 G HA3 -0.010 3.950 3.960 0.001 0.000 0.214 600 G C 0.513 175.465 174.900 0.087 0.000 1.315 600 G CA 0.064 45.203 45.100 0.065 0.000 0.836 600 G HN 0.375 nan 8.290 nan 0.000 0.580 601 V N 1.330 121.319 119.914 0.124 0.000 2.715 601 V HA 0.394 4.515 4.120 0.001 0.000 0.299 601 V C 0.017 176.208 176.094 0.163 0.000 1.054 601 V CA 0.464 62.870 62.300 0.178 0.000 1.077 601 V CB 1.089 33.064 31.823 0.255 0.000 0.972 601 V HN 0.277 nan 8.190 nan 0.000 0.484 602 I N 4.160 124.841 120.570 0.185 0.000 2.586 602 I HA 0.321 4.491 4.170 0.001 0.000 0.288 602 I C -0.478 175.753 176.117 0.190 0.000 1.147 602 I CA -0.429 60.963 61.300 0.153 0.000 1.047 602 I CB 2.030 40.087 38.000 0.096 0.000 1.244 602 I HN 0.703 nan 8.210 nan 0.000 0.429 603 Q N 7.749 127.656 119.800 0.178 0.000 2.340 603 Q HA 0.622 4.962 4.340 0.001 0.000 0.259 603 Q C -1.621 174.492 176.000 0.189 0.000 0.964 603 Q CA -0.486 55.435 55.803 0.196 0.000 0.900 603 Q CB 1.494 30.302 28.738 0.117 0.000 1.228 603 Q HN 0.624 nan 8.270 nan 0.000 0.449 604 I N 3.994 124.701 120.570 0.228 0.000 2.359 604 I HA 0.292 4.462 4.170 0.001 0.000 0.294 604 I C -0.744 175.557 176.117 0.306 0.000 0.987 604 I CA -0.979 60.468 61.300 0.245 0.000 1.225 604 I CB 1.444 39.599 38.000 0.259 0.000 1.366 604 I HN 0.704 nan 8.210 nan 0.000 0.466 605 D N 5.246 125.790 120.400 0.241 0.000 2.350 605 D HA 0.358 4.998 4.640 0.001 0.000 0.245 605 D C -0.612 175.760 176.300 0.120 0.000 1.036 605 D CA -0.709 53.418 54.000 0.211 0.000 0.848 605 D CB 1.807 42.768 40.800 0.269 0.000 1.307 605 D HN 0.265 nan 8.370 nan 0.000 0.469 606 E N 0.971 121.187 120.200 0.028 0.000 3.037 606 E HA 0.359 4.709 4.350 0.001 0.000 0.220 606 E C 0.347 176.901 176.600 -0.076 0.000 1.142 606 E CA -0.623 55.749 56.400 -0.046 0.000 0.888 606 E CB 1.248 30.887 29.700 -0.103 0.000 1.329 606 E HN 0.602 nan 8.360 nan 0.000 0.409 607 A N 1.558 124.298 122.820 -0.132 0.000 1.902 607 A HA -0.014 4.306 4.320 0.001 0.000 0.217 607 A C 1.454 178.865 177.584 -0.288 0.000 1.181 607 A CA 1.598 53.516 52.037 -0.197 0.000 0.623 607 A CB 0.178 19.144 19.000 -0.058 0.000 0.818 607 A HN 0.345 nan 8.150 nan 0.000 0.443 608 A N -0.797 121.730 122.820 -0.488 0.000 3.173 608 A HA 0.555 4.876 4.320 0.001 0.000 0.304 608 A C 0.794 178.302 177.584 -0.128 0.000 1.318 608 A CA -0.322 51.475 52.037 -0.400 0.000 1.069 608 A CB -0.226 18.104 19.000 -1.118 0.000 1.147 608 A HN 0.521 nan 8.150 nan 0.000 0.547 609 L N 0.710 121.992 121.223 0.099 0.000 2.253 609 L HA 0.244 4.585 4.340 0.001 0.000 0.205 609 L C 2.109 179.016 176.870 0.062 0.000 1.078 609 L CA 1.684 56.548 54.840 0.039 0.000 0.805 609 L CB -0.249 41.811 42.059 0.003 0.000 0.963 609 L HN 0.605 nan 8.230 nan 0.000 0.459 610 R N -0.825 119.637 120.500 -0.064 0.000 2.240 610 R HA -0.078 4.263 4.340 0.001 0.000 0.203 610 R C 1.829 178.044 176.300 -0.142 0.000 1.011 610 R CA 0.718 56.678 56.100 -0.234 0.000 1.007 610 R CB -0.019 29.852 30.300 -0.715 0.000 0.911 610 R HN 0.289 nan 8.270 nan 0.000 0.468 611 E N 0.400 120.601 120.200 0.001 0.000 2.085 611 E HA -0.100 4.250 4.350 0.001 0.000 0.194 611 E C 1.355 177.863 176.600 -0.155 0.000 0.994 611 E CA 1.696 58.088 56.400 -0.013 0.000 0.801 611 E CB -0.352 29.388 29.700 0.066 0.000 0.743 611 E HN 0.517 nan 8.360 nan 0.000 0.453 612 G N -0.285 108.364 108.800 -0.252 0.000 3.210 612 G HA2 0.065 4.025 3.960 0.001 0.000 0.220 612 G HA3 0.065 4.025 3.960 0.001 0.000 0.220 612 G C 0.035 174.173 174.900 -1.270 0.000 1.200 612 G CA -0.390 44.408 45.100 -0.503 0.000 0.834 612 G HN 0.113 nan 8.290 nan 0.000 0.524 613 L N 1.446 122.092 121.223 -0.960 0.000 2.418 613 L HA 0.187 4.527 4.340 0.001 0.000 0.274 613 L C -1.884 174.772 176.870 -0.356 0.000 1.135 613 L CA -1.466 52.909 54.840 -0.775 0.000 0.870 613 L CB 1.219 42.967 42.059 -0.519 0.000 1.154 613 L HN -0.003 nan 8.230 nan 0.000 0.462 614 P HA 0.012 nan 4.420 nan 0.000 0.268 614 P C 0.725 178.103 177.300 0.129 0.000 1.205 614 P CA -0.112 63.007 63.100 0.033 0.000 0.771 614 P CB 0.687 32.457 31.700 0.117 0.000 0.858 615 L N 0.481 121.757 121.223 0.088 0.000 2.291 615 L HA -0.038 4.302 4.340 0.001 0.000 0.214 615 L C 1.351 178.268 176.870 0.078 0.000 1.120 615 L CA 0.775 55.684 54.840 0.116 0.000 0.799 615 L CB -0.318 41.822 42.059 0.134 0.000 0.925 615 L HN 0.337 nan 8.230 nan 0.000 0.446 616 R N 1.104 121.616 120.500 0.020 0.000 2.267 616 R HA 0.065 4.405 4.340 0.001 0.000 0.319 616 R C 0.922 177.066 176.300 -0.260 0.000 1.067 616 R CA 0.268 56.326 56.100 -0.070 0.000 0.936 616 R CB 0.574 30.848 30.300 -0.044 0.000 1.006 616 R HN -0.017 nan 8.270 nan 0.000 0.452 617 K N 1.376 121.556 120.400 -0.366 0.000 2.032 617 K HA -0.151 4.169 4.320 0.001 0.000 0.209 617 K C 1.213 177.535 176.600 -0.464 0.000 1.048 617 K CA 2.123 57.996 56.287 -0.690 0.000 0.927 617 K CB 0.000 32.295 32.500 -0.342 0.000 0.712 617 K HN 0.770 nan 8.250 nan 0.000 0.441 618 S N 0.431 116.003 115.700 -0.214 0.000 2.641 618 S HA -0.088 4.383 4.470 0.001 0.000 0.239 618 S C 1.136 175.706 174.600 -0.050 0.000 0.972 618 S CA 0.886 59.024 58.200 -0.103 0.000 0.954 618 S CB -0.156 63.005 63.200 -0.065 0.000 0.767 618 S HN 0.293 nan 8.310 nan 0.000 0.539 619 E N -0.402 119.753 120.200 -0.075 0.000 2.490 619 E HA 0.133 4.483 4.350 0.001 0.000 0.209 619 E C 1.157 177.884 176.600 0.213 0.000 0.971 619 E CA -0.114 56.324 56.400 0.064 0.000 0.988 619 E CB 0.070 29.798 29.700 0.047 0.000 1.029 619 E HN 0.744 nan 8.360 nan 0.000 0.496 620 H N 0.709 119.831 119.070 0.087 0.000 2.352 620 H HA -0.140 4.417 4.556 0.001 0.000 0.299 620 H C 2.299 177.703 175.328 0.126 0.000 1.097 620 H CA 0.895 56.998 56.048 0.090 0.000 1.311 620 H CB 0.113 29.895 29.762 0.033 0.000 1.377 620 H HN 0.155 nan 8.280 nan 0.000 0.504 621 A N 1.330 124.293 122.820 0.240 0.000 1.869 621 A HA -0.277 4.043 4.320 0.001 0.000 0.218 621 A C 2.202 179.892 177.584 0.176 0.000 1.203 621 A CA 1.949 54.088 52.037 0.170 0.000 0.638 621 A CB -1.204 17.884 19.000 0.145 0.000 0.831 621 A HN 0.482 nan 8.150 nan 0.000 0.450 622 F N -1.281 118.728 119.950 0.098 0.000 2.161 622 F HA -0.190 4.337 4.527 0.001 0.000 0.300 622 F C 2.157 178.004 175.800 0.078 0.000 1.089 622 F CA 2.112 60.188 58.000 0.127 0.000 1.282 622 F CB -0.345 38.756 39.000 0.169 0.000 1.010 622 F HN 0.426 nan 8.300 nan 0.000 0.485 623 Y N 0.827 121.209 120.300 0.136 0.000 2.092 623 Y HA -0.206 4.345 4.550 0.001 0.000 0.282 623 Y C 2.022 177.465 175.900 -0.761 0.000 1.126 623 Y CA 2.003 59.886 58.100 -0.361 0.000 1.111 623 Y CB -0.874 37.492 38.460 -0.156 0.000 0.987 623 Y HN 0.026 nan 8.280 nan 0.000 0.489 624 L N 0.517 121.442 121.223 -0.497 0.000 2.263 624 L HA -0.219 4.121 4.340 0.001 0.000 0.216 624 L C 2.068 178.658 176.870 -0.466 0.000 1.111 624 L CA 1.501 56.032 54.840 -0.515 0.000 0.773 624 L CB -0.757 41.199 42.059 -0.173 0.000 0.906 624 L HN 0.358 nan 8.230 nan 0.000 0.439 625 D N 0.393 120.563 120.400 -0.382 0.000 2.087 625 D HA -0.238 4.403 4.640 0.001 0.000 0.203 625 D C 2.101 178.293 176.300 -0.180 0.000 0.976 625 D CA 1.665 55.529 54.000 -0.227 0.000 0.865 625 D CB -0.367 40.311 40.800 -0.202 0.000 1.005 625 D HN 0.376 nan 8.370 nan 0.000 0.449 626 W N 1.073 122.203 121.300 -0.283 0.000 2.364 626 W HA -0.082 4.578 4.660 0.001 0.000 0.281 626 W C 1.785 178.127 176.519 -0.295 0.000 1.219 626 W CA 0.871 58.057 57.345 -0.265 0.000 1.220 626 W CB -1.185 27.983 29.460 -0.487 0.000 1.127 626 W HN 0.074 nan 8.180 nan 0.000 0.556 627 A N 2.190 124.542 122.820 -0.780 0.000 1.834 627 A HA -0.169 4.151 4.320 0.001 0.000 0.216 627 A C 2.287 179.704 177.584 -0.279 0.000 1.203 627 A CA 3.051 54.612 52.037 -0.795 0.000 0.621 627 A CB -1.223 16.937 19.000 -1.399 0.000 0.841 627 A HN 0.112 nan 8.150 nan 0.000 0.446 628 V N -0.032 119.726 119.914 -0.260 0.000 2.594 628 V HA -0.294 3.827 4.120 0.001 0.000 0.253 628 V C 2.396 178.556 176.094 0.110 0.000 1.069 628 V CA 2.384 64.632 62.300 -0.087 0.000 1.082 628 V CB -1.290 30.445 31.823 -0.148 0.000 0.680 628 V HN 0.827 nan 8.190 nan 0.000 0.469 629 H N 0.318 119.392 119.070 0.006 0.000 2.326 629 H HA -0.143 4.414 4.556 0.001 0.000 0.301 629 H C 2.469 177.907 175.328 0.185 0.000 1.081 629 H CA 1.335 57.430 56.048 0.079 0.000 1.334 629 H CB 0.208 30.057 29.762 0.144 0.000 1.385 629 H HN 0.419 nan 8.280 nan 0.000 0.504 630 S N 0.330 116.247 115.700 0.362 0.000 2.420 630 S HA -0.186 4.285 4.470 0.001 0.000 0.237 630 S C 1.663 176.403 174.600 0.234 0.000 1.023 630 S CA 1.250 59.631 58.200 0.301 0.000 0.991 630 S CB -0.438 62.882 63.200 0.199 0.000 0.792 630 S HN 0.429 nan 8.310 nan 0.000 0.488 631 F N 2.542 122.537 119.950 0.075 0.000 2.128 631 F HA 0.018 4.545 4.527 0.001 0.000 0.295 631 F C 2.225 178.049 175.800 0.038 0.000 1.100 631 F CA 1.014 59.033 58.000 0.031 0.000 1.260 631 F CB -0.214 38.781 39.000 -0.008 0.000 1.009 631 F HN -0.016 nan 8.300 nan 0.000 0.476 632 R N 0.644 121.191 120.500 0.078 0.000 2.082 632 R HA -0.168 4.173 4.340 0.001 0.000 0.234 632 R C 2.274 178.537 176.300 -0.061 0.000 1.136 632 R CA 2.115 58.188 56.100 -0.045 0.000 0.935 632 R CB -1.068 29.225 30.300 -0.011 0.000 0.842 632 R HN 0.344 nan 8.270 nan 0.000 0.430 633 I N 0.853 121.466 120.570 0.072 0.000 2.576 633 I HA -0.318 3.852 4.170 0.001 0.000 0.263 633 I C 1.920 178.020 176.117 -0.028 0.000 1.183 633 I CA 1.266 62.596 61.300 0.050 0.000 1.432 633 I CB -0.460 37.593 38.000 0.089 0.000 1.100 633 I HN 0.271 nan 8.210 nan 0.000 0.452 634 T N 0.722 115.212 114.554 -0.107 0.000 2.894 634 T HA -0.061 4.290 4.350 0.001 0.000 0.258 634 T C 1.047 175.649 174.700 -0.164 0.000 1.043 634 T CA 1.484 63.495 62.100 -0.148 0.000 1.141 634 T CB -0.241 68.489 68.868 -0.229 0.000 0.873 634 T HN 0.599 nan 8.240 nan 0.000 0.449 635 N N 0.318 118.881 118.700 -0.229 0.000 2.401 635 N HA 0.165 4.905 4.740 0.001 0.000 0.264 635 N C 1.248 176.693 175.510 -0.109 0.000 1.238 635 N CA -0.189 52.759 53.050 -0.170 0.000 0.889 635 N CB -0.302 38.051 38.487 -0.222 0.000 1.196 635 N HN 0.402 nan 8.380 nan 0.000 0.511 636 C N -1.912 117.342 119.300 -0.077 0.000 2.618 636 C HA 0.459 4.919 4.460 0.001 0.000 0.264 636 C C 1.637 176.612 174.990 -0.025 0.000 1.334 636 C CA 0.100 59.093 59.018 -0.040 0.000 1.731 636 C CB -1.096 26.631 27.740 -0.021 0.000 1.852 636 C HN 0.511 nan 8.230 nan 0.000 0.566 637 G N 0.459 109.242 108.800 -0.029 0.000 3.690 637 G HA2 0.405 4.365 3.960 0.001 0.000 0.283 637 G HA3 0.405 4.365 3.960 0.001 0.000 0.283 637 G C 0.131 175.020 174.900 -0.018 0.000 1.057 637 G CA 0.325 45.414 45.100 -0.018 0.000 0.821 637 G HN 0.433 nan 8.290 nan 0.000 0.526 638 V N -0.056 119.843 119.914 -0.025 0.000 2.863 638 V HA 0.366 4.487 4.120 0.001 0.000 0.307 638 V C 0.407 176.493 176.094 -0.013 0.000 1.061 638 V CA -0.766 61.522 62.300 -0.020 0.000 1.024 638 V CB 1.756 33.560 31.823 -0.031 0.000 1.049 638 V HN 0.231 nan 8.190 nan 0.000 0.471 639 Q N 1.821 121.617 119.800 -0.007 0.000 2.870 639 Q HA 0.112 4.452 4.340 0.001 0.000 0.189 639 Q C 0.443 176.440 176.000 -0.004 0.000 1.161 639 Q CA 0.396 56.197 55.803 -0.003 0.000 1.248 639 Q CB 0.163 28.902 28.738 0.002 0.000 1.302 639 Q HN 0.793 nan 8.270 nan 0.000 0.693 640 D N -0.776 119.624 120.400 -0.001 0.000 2.423 640 D HA 0.011 4.652 4.640 0.001 0.000 0.208 640 D C 1.283 177.585 176.300 0.003 0.000 1.068 640 D CA 0.526 54.525 54.000 -0.002 0.000 0.860 640 D CB 0.538 41.337 40.800 -0.002 0.000 0.992 640 D HN 0.427 nan 8.370 nan 0.000 0.504 641 S N -0.300 115.405 115.700 0.008 0.000 2.517 641 S HA 0.029 4.499 4.470 0.001 0.000 0.214 641 S C 1.008 175.622 174.600 0.023 0.000 0.991 641 S CA -0.170 58.040 58.200 0.016 0.000 0.906 641 S CB 0.093 63.303 63.200 0.016 0.000 0.789 641 S HN -0.134 nan 8.310 nan 0.000 0.513 642 T N 3.405 117.969 114.554 0.016 0.000 2.727 642 T HA 0.280 4.631 4.350 0.001 0.000 0.295 642 T C -0.333 174.375 174.700 0.014 0.000 0.915 642 T CA -0.228 61.885 62.100 0.022 0.000 1.066 642 T CB 0.830 69.706 68.868 0.013 0.000 0.891 642 T HN 0.514 nan 8.240 nan 0.000 0.516 643 Q N 3.833 123.652 119.800 0.032 0.000 2.288 643 Q HA 0.374 4.714 4.340 0.001 0.000 0.254 643 Q C -0.899 175.081 176.000 -0.032 0.000 0.932 643 Q CA -0.566 55.232 55.803 -0.007 0.000 0.902 643 Q CB 0.465 29.224 28.738 0.036 0.000 1.203 643 Q HN 0.432 nan 8.270 nan 0.000 0.415 644 I N 4.034 124.525 120.570 -0.133 0.000 2.433 644 I HA 0.358 4.528 4.170 0.001 0.000 0.292 644 I C -0.410 175.558 176.117 -0.248 0.000 1.001 644 I CA -0.545 60.698 61.300 -0.094 0.000 1.119 644 I CB 1.431 39.404 38.000 -0.045 0.000 1.289 644 I HN 0.745 nan 8.210 nan 0.000 0.438 645 H N 2.982 122.051 119.070 -0.002 0.000 2.495 645 H HA 0.414 4.971 4.556 0.001 0.000 0.348 645 H C -0.433 174.960 175.328 0.108 0.000 1.113 645 H CA -0.326 55.702 56.048 -0.033 0.000 1.195 645 H CB 2.749 32.440 29.762 -0.118 0.000 1.521 645 H HN 0.463 nan 8.280 nan 0.000 0.509 646 T N 1.391 116.075 114.554 0.216 0.000 2.885 646 T HA 0.342 4.693 4.350 0.001 0.000 0.285 646 T C -0.939 173.858 174.700 0.161 0.000 1.019 646 T CA -0.452 61.775 62.100 0.210 0.000 1.010 646 T CB 1.281 70.138 68.868 -0.019 0.000 1.022 646 T HN 0.652 nan 8.240 nan 0.000 0.466 650 Y N -0.026 120.248 120.300 -0.042 0.000 2.534 650 Y HA 0.564 5.114 4.550 0.001 0.000 0.345 650 Y C 0.944 176.706 175.900 -0.231 0.000 1.031 650 Y CA -0.636 57.305 58.100 -0.265 0.000 1.022 650 Y CB 1.774 39.824 38.460 -0.683 0.000 1.292 650 Y HN 0.254 nan 8.280 nan 0.000 0.459 651 S N -0.799 114.838 115.700 -0.105 0.000 2.539 651 S HA 0.259 4.730 4.470 0.001 0.000 0.221 651 S C -0.223 174.181 174.600 -0.328 0.000 0.987 651 S CA 0.014 58.151 58.200 -0.104 0.000 0.929 651 S CB -0.040 63.090 63.200 -0.116 0.000 0.832 651 S HN 0.621 nan 8.310 nan 0.000 0.492 652 H N -0.178 118.639 119.070 -0.420 0.000 2.689 652 H HA 0.463 5.019 4.556 0.001 0.000 0.346 652 H C -1.232 173.620 175.328 -0.793 0.000 1.037 652 H CA -0.776 55.036 56.048 -0.394 0.000 1.234 652 H CB 1.299 30.907 29.762 -0.257 0.000 1.572 652 H HN 0.284 nan 8.280 nan 0.000 0.524 653 F N 0.831 120.786 119.950 0.008 0.000 2.960 653 F HA 0.091 4.618 4.527 0.001 0.000 0.345 653 F C 1.516 177.237 175.800 -0.131 0.000 1.147 653 F CA -0.342 57.590 58.000 -0.113 0.000 1.099 653 F CB 0.142 39.042 39.000 -0.166 0.000 1.219 653 F HN 0.308 nan 8.300 nan 0.000 0.525 654 N N 1.291 120.046 118.700 0.092 0.000 2.060 654 N HA -0.202 4.539 4.740 0.001 0.000 0.195 654 N C 1.161 176.658 175.510 -0.020 0.000 1.028 654 N CA 1.971 55.037 53.050 0.028 0.000 0.861 654 N CB -0.309 38.226 38.487 0.080 0.000 1.029 654 N HN 0.381 nan 8.380 nan 0.000 0.428 655 D N -0.371 120.004 120.400 -0.042 0.000 2.319 655 D HA 0.025 4.665 4.640 0.001 0.000 0.230 655 D C 0.576 176.840 176.300 -0.059 0.000 1.094 655 D CA 0.153 54.117 54.000 -0.059 0.000 0.856 655 D CB 0.105 40.849 40.800 -0.092 0.000 0.915 655 D HN 0.388 nan 8.370 nan 0.000 0.517 656 I N 0.167 120.710 120.570 -0.044 0.000 3.100 656 I HA -0.007 4.163 4.170 0.001 0.000 0.316 656 I C 0.166 176.272 176.117 -0.017 0.000 1.466 656 I CA -0.178 61.099 61.300 -0.038 0.000 0.836 656 I CB 0.327 38.270 38.000 -0.096 0.000 1.864 656 I HN -0.249 nan 8.210 nan 0.000 0.689 657 I N 1.228 121.769 120.570 -0.049 0.000 2.439 657 I HA -0.191 3.979 4.170 0.001 0.000 0.251 657 I C 2.041 178.090 176.117 -0.113 0.000 1.139 657 I CA 1.734 62.932 61.300 -0.170 0.000 1.438 657 I CB -0.650 37.184 38.000 -0.276 0.000 1.085 657 I HN 0.552 nan 8.210 nan 0.000 0.427 658 H N 0.758 119.761 119.070 -0.111 0.000 2.321 658 H HA -0.098 4.459 4.556 0.001 0.000 0.300 658 H C 2.307 177.602 175.328 -0.055 0.000 1.087 658 H CA 2.195 58.204 56.048 -0.064 0.000 1.319 658 H CB -0.064 29.675 29.762 -0.039 0.000 1.379 658 H HN 0.172 nan 8.280 nan 0.000 0.501 659 S N -0.350 115.250 115.700 -0.167 0.000 2.400 659 S HA -0.110 4.361 4.470 0.001 0.000 0.232 659 S C 2.057 176.529 174.600 -0.214 0.000 1.025 659 S CA 1.220 59.282 58.200 -0.230 0.000 0.993 659 S CB -0.223 62.886 63.200 -0.153 0.000 0.808 659 S HN 0.298 nan 8.310 nan 0.000 0.478 660 I N 1.535 121.993 120.570 -0.186 0.000 2.394 660 I HA -0.058 4.113 4.170 0.001 0.000 0.251 660 I C 1.778 177.814 176.117 -0.134 0.000 1.136 660 I CA 0.767 61.945 61.300 -0.203 0.000 1.425 660 I CB -0.393 37.438 38.000 -0.281 0.000 1.079 660 I HN 0.257 nan 8.210 nan 0.000 0.425 661 I N 0.122 120.631 120.570 -0.100 0.000 2.676 661 I HA -0.128 4.042 4.170 0.001 0.000 0.259 661 I C 0.466 176.595 176.117 0.020 0.000 1.194 661 I CA 0.770 62.113 61.300 0.071 0.000 1.473 661 I CB -1.205 36.856 38.000 0.103 0.000 1.096 661 I HN 0.190 nan 8.210 nan 0.000 0.443 665 A N 0.288 123.222 122.820 0.191 0.000 2.310 665 A HA 0.424 4.744 4.320 0.001 0.000 0.299 665 A C 1.082 178.680 177.584 0.023 0.000 1.147 665 A CA -0.352 51.774 52.037 0.148 0.000 0.818 665 A CB 0.739 19.835 19.000 0.160 0.000 1.096 665 A HN 0.231 nan 8.150 nan 0.000 0.495 666 D N 0.566 120.916 120.400 -0.082 0.000 2.149 666 D HA 0.010 4.650 4.640 0.001 0.000 0.201 666 D C -0.018 176.147 176.300 -0.225 0.000 0.972 666 D CA 1.612 55.521 54.000 -0.153 0.000 0.835 666 D CB 0.174 40.872 40.800 -0.169 0.000 0.966 666 D HN 0.213 nan 8.370 nan 0.000 0.476 667 V N 2.021 121.715 119.914 -0.367 0.000 2.559 667 V HA 0.217 4.337 4.120 0.001 0.000 0.289 667 V C -0.336 175.594 176.094 -0.274 0.000 1.036 667 V CA -0.761 61.266 62.300 -0.455 0.000 0.887 667 V CB 2.613 33.829 31.823 -1.012 0.000 1.022 667 V HN 0.018 nan 8.190 nan 0.000 0.442 668 I N 3.957 124.468 120.570 -0.099 0.000 2.365 668 I HA 0.587 4.758 4.170 0.001 0.000 0.291 668 I C 0.127 176.200 176.117 -0.073 0.000 1.004 668 I CA 0.300 61.560 61.300 -0.066 0.000 1.311 668 I CB 1.696 39.633 38.000 -0.106 0.000 1.401 668 I HN 0.703 nan 8.210 nan 0.000 0.491 669 T N 7.941 122.511 114.554 0.027 0.000 2.772 669 T HA 0.532 4.883 4.350 0.001 0.000 0.288 669 T C -0.023 174.772 174.700 0.160 0.000 0.994 669 T CA -0.639 61.535 62.100 0.122 0.000 0.951 669 T CB 0.364 69.359 68.868 0.211 0.000 0.933 669 T HN 0.588 nan 8.240 nan 0.000 0.447 670 I N 1.563 122.177 120.570 0.073 0.000 4.317 670 I HA 0.734 4.904 4.170 0.001 0.000 0.222 670 I C 0.248 176.451 176.117 0.143 0.000 1.154 670 I CA -1.251 60.087 61.300 0.063 0.000 1.457 670 I CB 0.886 38.919 38.000 0.055 0.000 1.384 670 I HN 0.492 nan 8.210 nan 0.000 0.453 671 E N -0.461 119.862 120.200 0.205 0.000 2.518 671 E HA 0.353 4.704 4.350 0.001 0.000 0.248 671 E C -0.594 176.091 176.600 0.142 0.000 1.028 671 E CA -0.503 55.983 56.400 0.144 0.000 0.922 671 E CB 1.486 31.234 29.700 0.080 0.000 1.299 671 E HN 0.738 nan 8.360 nan 0.000 0.457 672 N N -1.328 117.421 118.700 0.082 0.000 2.659 672 N HA -0.188 4.553 4.740 0.001 0.000 0.393 672 N C 0.461 175.988 175.510 0.028 0.000 0.614 672 N CA 0.876 53.960 53.050 0.058 0.000 2.017 672 N CB -0.598 37.936 38.487 0.079 0.000 0.907 672 N HN 0.456 nan 8.380 nan 0.000 2.033 673 S N -0.012 115.709 115.700 0.037 0.000 1.887 673 S HA -0.278 4.192 4.470 0.001 0.000 0.215 673 S C 0.534 175.142 174.600 0.012 0.000 0.989 673 S CA 2.446 60.660 58.200 0.023 0.000 1.659 673 S CB -1.009 62.189 63.200 -0.004 0.000 2.260 673 S HN 0.634 nan 8.310 nan 0.000 0.556 674 R N 0.692 121.191 120.500 -0.002 0.000 2.662 674 R HA 0.445 4.785 4.340 0.001 0.000 0.396 674 R C -0.198 176.095 176.300 -0.011 0.000 1.096 674 R CA 0.211 56.307 56.100 -0.007 0.000 1.081 674 R CB 1.071 31.360 30.300 -0.020 0.000 1.382 674 R HN 0.291 nan 8.270 nan 0.000 0.580 675 S N -0.092 115.602 115.700 -0.009 0.000 2.795 675 S HA 0.311 4.782 4.470 0.001 0.000 0.308 675 S C -0.490 174.109 174.600 -0.001 0.000 1.098 675 S CA -0.806 57.381 58.200 -0.022 0.000 0.934 675 S CB 1.295 64.460 63.200 -0.058 0.000 1.300 675 S HN 0.065 nan 8.310 nan 0.000 0.566 676 D N 1.283 121.682 120.400 -0.003 0.000 2.354 676 D HA 0.231 4.872 4.640 0.001 0.000 0.247 676 D C 0.804 177.122 176.300 0.030 0.000 1.138 676 D CA -0.330 53.680 54.000 0.016 0.000 0.958 676 D CB 0.459 41.271 40.800 0.020 0.000 1.144 676 D HN 0.423 nan 8.370 nan 0.000 0.458 677 E N 0.432 120.654 120.200 0.037 0.000 2.452 677 E HA 0.003 4.354 4.350 0.001 0.000 0.197 677 E C 0.774 177.407 176.600 0.055 0.000 1.022 677 E CA 0.364 56.792 56.400 0.047 0.000 0.890 677 E CB 0.121 29.846 29.700 0.041 0.000 0.918 677 E HN 0.401 nan 8.360 nan 0.000 0.496 678 K N 0.901 121.330 120.400 0.049 0.000 2.211 678 K HA 0.191 4.511 4.320 0.001 0.000 0.201 678 K C 2.237 178.875 176.600 0.063 0.000 1.052 678 K CA 0.146 56.465 56.287 0.053 0.000 0.973 678 K CB 0.075 32.600 32.500 0.042 0.000 0.766 678 K HN -0.021 nan 8.250 nan 0.000 0.466 679 L N 1.364 122.621 121.223 0.057 0.000 2.129 679 L HA -0.199 4.142 4.340 0.001 0.000 0.212 679 L C 2.069 178.997 176.870 0.097 0.000 1.087 679 L CA 1.157 56.033 54.840 0.059 0.000 0.757 679 L CB -0.705 41.369 42.059 0.026 0.000 0.896 679 L HN 0.225 nan 8.230 nan 0.000 0.434 680 L N -0.930 120.374 121.223 0.134 0.000 2.447 680 L HA -0.159 4.182 4.340 0.001 0.000 0.225 680 L C 2.180 179.206 176.870 0.260 0.000 1.148 680 L CA 0.485 55.466 54.840 0.235 0.000 0.808 680 L CB -0.469 41.696 42.059 0.176 0.000 0.928 680 L HN 0.154 nan 8.230 nan 0.000 0.448 681 S N -0.420 115.371 115.700 0.151 0.000 2.660 681 S HA -0.026 4.445 4.470 0.001 0.000 0.223 681 S C 1.726 176.380 174.600 0.091 0.000 0.963 681 S CA 0.465 58.743 58.200 0.129 0.000 0.932 681 S CB -0.079 63.171 63.200 0.084 0.000 0.775 681 S HN 0.419 nan 8.310 nan 0.000 0.531 682 V N -2.013 117.924 119.914 0.039 0.000 3.510 682 V HA 0.171 4.291 4.120 0.001 0.000 0.270 682 V C 1.178 177.129 176.094 -0.238 0.000 1.201 682 V CA 1.043 63.277 62.300 -0.110 0.000 1.166 682 V CB -1.091 30.620 31.823 -0.186 0.000 0.825 682 V HN 0.349 nan 8.190 nan 0.000 0.484 683 F N -0.257 119.706 119.950 0.021 0.000 2.480 683 F HA 0.422 4.949 4.527 0.001 0.000 0.280 683 F C 2.200 178.045 175.800 0.075 0.000 1.002 683 F CA 0.215 58.237 58.000 0.036 0.000 1.325 683 F CB -0.035 38.982 39.000 0.029 0.000 1.134 683 F HN -0.127 nan 8.300 nan 0.000 0.646 684 R N 1.381 122.042 120.500 0.269 0.000 2.391 684 R HA 0.088 4.429 4.340 0.001 0.000 0.225 684 R C -0.637 175.729 176.300 0.110 0.000 1.079 684 R CA 0.533 56.735 56.100 0.169 0.000 1.147 684 R CB -0.585 29.798 30.300 0.139 0.000 1.103 684 R HN 0.244 nan 8.270 nan 0.000 0.499 685 E N -0.647 119.609 120.200 0.093 0.000 2.274 685 E HA 0.172 4.523 4.350 0.001 0.000 0.269 685 E C 0.175 176.799 176.600 0.041 0.000 0.891 685 E CA -0.325 56.108 56.400 0.056 0.000 0.784 685 E CB 1.896 31.620 29.700 0.040 0.000 1.225 685 E HN 0.284 nan 8.360 nan 0.000 0.412 686 G N 2.043 110.865 108.800 0.037 0.000 2.243 686 G HA2 -0.339 3.622 3.960 0.001 0.000 0.276 686 G HA3 -0.339 3.622 3.960 0.001 0.000 0.276 686 G C 0.758 175.678 174.900 0.034 0.000 0.997 686 G CA 1.269 46.385 45.100 0.026 0.000 0.693 686 G HN 0.390 nan 8.290 nan 0.000 0.529 687 V N -0.767 119.183 119.914 0.059 0.000 3.054 687 V HA 0.378 4.498 4.120 0.001 0.000 0.227 687 V C 1.203 177.378 176.094 0.135 0.000 1.252 687 V CA 1.226 63.579 62.300 0.089 0.000 1.279 687 V CB 0.261 32.125 31.823 0.069 0.000 1.118 687 V HN 0.783 nan 8.190 nan 0.000 0.504 688 K N 0.005 120.500 120.400 0.157 0.000 4.326 688 K HA -0.279 4.042 4.320 0.001 0.000 0.299 688 K C 0.481 177.217 176.600 0.226 0.000 1.005 688 K CA 0.367 56.752 56.287 0.162 0.000 0.935 688 K CB -1.199 31.361 32.500 0.100 0.000 1.551 688 K HN 0.494 nan 8.250 nan 0.000 0.438 689 Y N 1.305 121.704 120.300 0.166 0.000 2.036 689 Y HA -0.074 4.476 4.550 0.001 0.000 0.273 689 Y C 1.666 177.613 175.900 0.078 0.000 1.135 689 Y CA 3.073 61.276 58.100 0.172 0.000 1.106 689 Y CB -0.506 38.123 38.460 0.283 0.000 0.976 689 Y HN 0.879 nan 8.280 nan 0.000 0.483 690 G N 0.338 109.064 108.800 -0.122 0.000 2.462 690 G HA2 0.273 4.233 3.960 0.001 0.000 0.283 690 G HA3 0.273 4.233 3.960 0.001 0.000 0.283 690 G C -0.409 174.177 174.900 -0.522 0.000 1.043 690 G CA 0.389 45.348 45.100 -0.236 0.000 1.300 690 G HN 1.333 nan 8.290 nan 0.000 0.518 691 A N -0.281 122.144 122.820 -0.658 0.000 2.594 691 A HA 0.833 5.154 4.320 0.001 0.000 0.301 691 A C 0.581 177.982 177.584 -0.304 0.000 1.022 691 A CA 0.302 51.967 52.037 -0.621 0.000 0.738 691 A CB 0.100 18.488 19.000 -1.019 0.000 1.263 691 A HN 2.273 nan 8.150 nan 0.000 0.409 692 G N 0.536 109.277 108.800 -0.098 0.000 2.113 692 G HA2 0.390 4.350 3.960 0.001 0.000 0.263 692 G HA3 0.390 4.350 3.960 0.001 0.000 0.263 692 G C -0.204 174.698 174.900 0.003 0.000 0.954 692 G CA 1.113 46.233 45.100 0.034 0.000 0.996 692 G HN 1.525 nan 8.290 nan 0.000 0.381 693 I N 2.092 122.703 120.570 0.069 0.000 2.569 693 I HA 0.764 4.934 4.170 0.001 0.000 0.296 693 I C 0.296 176.433 176.117 0.034 0.000 1.028 693 I CA -0.997 60.276 61.300 -0.044 0.000 1.082 693 I CB 2.273 40.120 38.000 -0.254 0.000 1.264 693 I HN 0.456 nan 8.210 nan 0.000 0.429 694 G N 7.195 115.994 108.800 -0.001 0.000 3.191 694 G HA2 0.540 4.501 3.960 0.001 0.000 0.309 694 G HA3 0.540 4.501 3.960 0.001 0.000 0.309 694 G C -3.186 171.769 174.900 0.092 0.000 1.596 694 G CA -0.935 44.238 45.100 0.122 0.000 0.955 694 G HN 0.383 nan 8.290 nan 0.000 0.508 695 P HA 0.287 nan 4.420 nan 0.000 0.285 695 P C 0.835 178.203 177.300 0.113 0.000 1.259 695 P CA -0.093 63.061 63.100 0.091 0.000 0.794 695 P CB 1.570 33.317 31.700 0.078 0.000 0.940 696 G N 1.977 110.851 108.800 0.123 0.000 2.321 696 G HA2 0.306 4.267 3.960 0.001 0.000 0.237 696 G HA3 0.306 4.267 3.960 0.001 0.000 0.237 696 G C 0.151 175.115 174.900 0.106 0.000 1.282 696 G CA -0.199 44.972 45.100 0.119 0.000 0.886 696 G HN 0.450 nan 8.290 nan 0.000 0.528 697 V N 0.631 120.622 119.914 0.128 0.000 2.454 697 V HA 0.629 4.749 4.120 0.001 0.000 0.255 697 V C -0.855 175.365 176.094 0.210 0.000 1.009 697 V CA -1.137 61.241 62.300 0.130 0.000 1.149 697 V CB -0.624 31.262 31.823 0.106 0.000 1.418 697 V HN 1.003 nan 8.190 nan 0.000 0.567 698 Y N 0.328 120.646 120.300 0.030 0.000 2.189 698 Y HA 0.273 4.823 4.550 0.001 0.000 0.318 698 Y C -1.641 174.270 175.900 0.018 0.000 1.382 698 Y CA -1.125 56.985 58.100 0.017 0.000 1.442 698 Y CB 0.679 39.143 38.460 0.006 0.000 1.276 698 Y HN 0.596 nan 8.280 nan 0.000 0.413 699 D N 6.381 126.558 120.400 -0.372 0.000 2.336 699 D HA 0.205 4.846 4.640 0.001 0.000 0.249 699 D C 1.077 176.940 176.300 -0.729 0.000 1.213 699 D CA 0.048 53.815 54.000 -0.389 0.000 0.870 699 D CB 0.717 41.427 40.800 -0.150 0.000 1.076 699 D HN 0.676 nan 8.370 nan 0.000 0.483 700 I N 1.223 121.429 120.570 -0.607 0.000 3.684 700 I HA 0.112 4.282 4.170 0.001 0.000 0.304 700 I C 0.813 176.713 176.117 -0.362 0.000 1.278 700 I CA 0.405 61.369 61.300 -0.561 0.000 1.272 700 I CB -0.159 37.581 38.000 -0.433 0.000 1.029 700 I HN 0.238 nan 8.210 nan 0.000 0.458 701 H N -0.266 118.676 119.070 -0.213 0.000 2.551 701 H HA 0.337 4.893 4.556 0.001 0.000 0.271 701 H C 0.615 175.877 175.328 -0.110 0.000 0.984 701 H CA 0.250 56.218 56.048 -0.134 0.000 1.164 701 H CB 0.550 30.242 29.762 -0.116 0.000 1.437 701 H HN 0.326 nan 8.280 nan 0.000 0.550 702 S N 2.037 117.712 115.700 -0.040 0.000 2.488 702 S HA 0.132 4.602 4.470 0.001 0.000 0.310 702 S C -1.571 173.017 174.600 -0.020 0.000 1.093 702 S CA -1.901 56.284 58.200 -0.024 0.000 1.129 702 S CB 0.555 63.740 63.200 -0.026 0.000 0.989 702 S HN 0.100 nan 8.310 nan 0.000 0.479 703 P HA -0.249 nan 4.420 nan 0.000 0.219 703 P C 0.131 177.470 177.300 0.064 0.000 1.158 703 P CA 1.159 64.268 63.100 0.014 0.000 0.895 703 P CB -0.408 31.297 31.700 0.007 0.000 0.792 704 R N 0.873 121.407 120.500 0.057 0.000 2.523 704 R HA 0.021 4.362 4.340 0.001 0.000 0.281 704 R C 0.476 176.857 176.300 0.135 0.000 0.969 704 R CA -0.192 55.952 56.100 0.073 0.000 1.093 704 R CB -0.380 29.950 30.300 0.049 0.000 0.917 704 R HN 0.034 nan 8.270 nan 0.000 0.408 705 I N 4.370 125.001 120.570 0.101 0.000 2.754 705 I HA 0.105 4.275 4.170 0.001 0.000 0.285 705 I C -1.219 174.945 176.117 0.078 0.000 1.166 705 I CA -2.073 59.275 61.300 0.079 0.000 1.417 705 I CB -0.283 37.722 38.000 0.008 0.000 1.382 705 I HN 0.717 nan 8.210 nan 0.000 0.588 706 P HA 0.401 nan 4.420 nan 0.000 0.310 706 P C -0.990 176.315 177.300 0.007 0.000 1.309 706 P CA -0.467 62.672 63.100 0.065 0.000 0.769 706 P CB 1.185 32.961 31.700 0.126 0.000 1.327 707 S N -1.125 114.583 115.700 0.013 0.000 2.536 707 S HA 0.268 4.738 4.470 0.001 0.000 0.298 707 S C 1.271 175.869 174.600 -0.005 0.000 1.083 707 S CA -0.456 57.744 58.200 -0.000 0.000 0.995 707 S CB 1.404 64.609 63.200 0.008 0.000 1.058 707 S HN 0.343 nan 8.310 nan 0.000 0.488 708 S N 1.844 117.536 115.700 -0.012 0.000 2.383 708 S HA -0.202 4.268 4.470 0.001 0.000 0.229 708 S C 1.958 176.557 174.600 -0.001 0.000 1.030 708 S CA 1.832 60.025 58.200 -0.011 0.000 1.002 708 S CB -0.308 62.884 63.200 -0.013 0.000 0.829 708 S HN 0.898 nan 8.310 nan 0.000 0.467 709 E N 1.559 121.760 120.200 0.002 0.000 2.072 709 E HA -0.139 4.211 4.350 0.001 0.000 0.190 709 E C 1.727 178.334 176.600 0.012 0.000 0.982 709 E CA 1.051 57.455 56.400 0.006 0.000 0.803 709 E CB -0.404 29.300 29.700 0.006 0.000 0.755 709 E HN 0.531 nan 8.360 nan 0.000 0.453 710 E N 0.998 121.208 120.200 0.016 0.000 2.077 710 E HA -0.142 4.208 4.350 0.001 0.000 0.193 710 E C 2.218 178.837 176.600 0.031 0.000 0.989 710 E CA 1.321 57.736 56.400 0.025 0.000 0.800 710 E CB -0.142 29.577 29.700 0.031 0.000 0.746 710 E HN 0.372 nan 8.360 nan 0.000 0.452 711 I N 1.159 121.747 120.570 0.030 0.000 2.110 711 I HA -0.209 3.962 4.170 0.001 0.000 0.236 711 I C 2.451 178.585 176.117 0.029 0.000 1.068 711 I CA 0.924 62.246 61.300 0.036 0.000 1.333 711 I CB -0.401 37.617 38.000 0.029 0.000 1.054 711 I HN 0.038 nan 8.210 nan 0.000 0.402 712 A N -0.226 122.605 122.820 0.019 0.000 2.272 712 A HA -0.255 4.066 4.320 0.001 0.000 0.213 712 A C 1.715 179.309 177.584 0.017 0.000 1.183 712 A CA 2.110 54.156 52.037 0.015 0.000 0.719 712 A CB -0.694 18.310 19.000 0.007 0.000 0.771 712 A HN 0.522 nan 8.150 nan 0.000 0.484 713 D N -1.341 119.071 120.400 0.020 0.000 2.431 713 D HA 0.057 4.698 4.640 0.001 0.000 0.235 713 D C 2.203 178.518 176.300 0.025 0.000 0.980 713 D CA 0.480 54.492 54.000 0.020 0.000 0.912 713 D CB 0.061 40.872 40.800 0.018 0.000 1.056 713 D HN 0.307 nan 8.370 nan 0.000 0.494 714 R N -0.168 120.350 120.500 0.030 0.000 2.119 714 R HA 0.060 4.401 4.340 0.001 0.000 0.222 714 R C 1.706 178.030 176.300 0.039 0.000 1.088 714 R CA 0.485 56.606 56.100 0.036 0.000 0.984 714 R CB 0.084 30.409 30.300 0.041 0.000 0.884 714 R HN 0.125 nan 8.270 nan 0.000 0.447 715 V N 1.718 121.655 119.914 0.037 0.000 3.444 715 V HA -0.094 4.026 4.120 0.001 0.000 0.271 715 V C 1.444 177.555 176.094 0.029 0.000 1.188 715 V CA 1.100 63.422 62.300 0.037 0.000 1.168 715 V CB -0.472 31.372 31.823 0.034 0.000 0.810 715 V HN 0.338 nan 8.190 nan 0.000 0.500 716 N N -0.458 118.258 118.700 0.027 0.000 2.397 716 N HA 0.088 4.829 4.740 0.001 0.000 0.190 716 N C 0.900 176.426 175.510 0.027 0.000 1.099 716 N CA 0.168 53.232 53.050 0.023 0.000 0.876 716 N CB 0.669 39.167 38.487 0.018 0.000 1.143 716 N HN 0.434 nan 8.380 nan 0.000 0.468 720 A N 0.454 123.293 122.820 0.032 0.000 2.430 720 A HA 0.540 4.861 4.320 0.001 0.000 0.243 720 A C 1.362 178.970 177.584 0.040 0.000 1.254 720 A CA 0.797 52.854 52.037 0.032 0.000 0.914 720 A CB 0.145 19.161 19.000 0.028 0.000 0.998 720 A HN 0.252 nan 8.150 nan 0.000 0.515 721 V N -4.511 115.431 119.914 0.048 0.000 3.497 721 V HA 0.457 4.577 4.120 0.001 0.000 0.272 721 V C 0.734 176.873 176.094 0.075 0.000 1.474 721 V CA 0.067 62.403 62.300 0.060 0.000 1.025 721 V CB -0.657 31.205 31.823 0.064 0.000 0.820 721 V HN 0.195 nan 8.190 nan 0.000 0.437 722 L N -0.021 121.241 121.223 0.065 0.000 2.777 722 L HA 0.742 5.083 4.340 0.001 0.000 0.241 722 L C 0.066 176.969 176.870 0.055 0.000 1.854 722 L CA -0.516 54.363 54.840 0.066 0.000 2.070 722 L CB 0.519 42.604 42.059 0.042 0.000 2.441 722 L HN 0.048 nan 8.230 nan 0.000 0.587 723 E N 0.880 121.107 120.200 0.046 0.000 3.651 723 E HA 0.052 4.402 4.350 0.001 0.000 0.220 723 E C -0.846 175.773 176.600 0.033 0.000 1.222 723 E CA -0.452 55.971 56.400 0.039 0.000 1.114 723 E CB 0.295 30.018 29.700 0.039 0.000 1.278 723 E HN 0.285 nan 8.360 nan 0.000 0.412 724 Q N 3.631 123.449 119.800 0.030 0.000 2.858 724 Q HA -0.153 4.187 4.340 0.001 0.000 0.326 724 Q C -0.291 175.719 176.000 0.016 0.000 1.176 724 Q CA 1.261 57.078 55.803 0.024 0.000 1.124 724 Q CB -0.275 28.473 28.738 0.016 0.000 1.044 724 Q HN 0.654 nan 8.270 nan 0.000 0.423 725 N N 3.666 122.378 118.700 0.021 0.000 2.779 725 N HA -0.072 4.669 4.740 0.001 0.000 0.201 725 N C -0.584 174.946 175.510 0.034 0.000 1.349 725 N CA 0.835 53.893 53.050 0.014 0.000 2.299 725 N CB -0.084 38.409 38.487 0.011 0.000 1.205 725 N HN 0.537 nan 8.380 nan 0.000 0.827 726 I N -1.654 118.955 120.570 0.065 0.000 3.208 726 I HA 0.422 4.593 4.170 0.001 0.000 0.320 726 I C -1.301 174.950 176.117 0.223 0.000 1.391 726 I CA -0.599 60.781 61.300 0.134 0.000 0.846 726 I CB -0.401 37.635 38.000 0.060 0.000 2.154 726 I HN -0.073 nan 8.210 nan 0.000 0.745 727 L N 1.824 123.141 121.223 0.157 0.000 2.289 727 L HA 0.738 5.078 4.340 0.001 0.000 0.285 727 L C -1.150 175.829 176.870 0.181 0.000 1.049 727 L CA 0.021 54.967 54.840 0.177 0.000 0.804 727 L CB 0.848 42.953 42.059 0.077 0.000 1.195 727 L HN 0.240 nan 8.230 nan 0.000 0.428 728 W N 3.788 125.105 121.300 0.028 0.000 2.647 728 W HA 0.648 5.308 4.660 0.001 0.000 0.353 728 W C -0.684 175.858 176.519 0.039 0.000 1.080 728 W CA -0.622 56.751 57.345 0.045 0.000 1.208 728 W CB 1.712 31.217 29.460 0.076 0.000 1.396 728 W HN 0.116 nan 8.180 nan 0.000 0.573 729 V N 4.472 124.511 119.914 0.209 0.000 2.266 729 V HA 0.323 4.444 4.120 0.001 0.000 0.271 729 V C -0.284 175.911 176.094 0.168 0.000 1.032 729 V CA -0.886 61.496 62.300 0.138 0.000 0.806 729 V CB -0.479 31.373 31.823 0.049 0.000 1.052 729 V HN 0.589 nan 8.190 nan 0.000 0.449 730 N N 3.844 122.652 118.700 0.180 0.000 2.405 730 N HA 0.621 5.361 4.740 0.001 0.000 0.285 730 N C -3.022 172.573 175.510 0.141 0.000 1.262 730 N CA -1.673 51.470 53.050 0.154 0.000 0.773 730 N CB 2.592 41.169 38.487 0.151 0.000 1.490 730 N HN 0.058 nan 8.380 nan 0.000 0.486 731 P HA 0.028 nan 4.420 nan 0.000 0.317 731 P C 0.135 177.502 177.300 0.112 0.000 1.427 731 P CA 0.591 63.789 63.100 0.162 0.000 0.820 731 P CB 0.348 32.117 31.700 0.115 0.000 1.894 732 D N -3.214 117.214 120.400 0.047 0.000 2.461 732 D HA 0.163 4.803 4.640 0.001 0.000 0.266 732 D C -0.235 176.137 176.300 0.120 0.000 1.085 732 D CA 0.269 54.301 54.000 0.054 0.000 0.887 732 D CB 0.513 41.287 40.800 -0.043 0.000 1.309 732 D HN 0.228 nan 8.370 nan 0.000 0.498 733 C N -1.421 117.914 119.300 0.058 0.000 3.167 733 C HA 0.590 5.051 4.460 0.001 0.000 0.348 733 C C -0.031 174.932 174.990 -0.045 0.000 1.394 733 C CA -0.339 58.737 59.018 0.098 0.000 1.204 733 C CB 0.414 28.240 27.740 0.144 0.000 1.467 733 C HN 0.316 nan 8.230 nan 0.000 0.446 734 G N 1.386 110.157 108.800 -0.047 0.000 2.460 734 G HA2 0.243 4.203 3.960 0.001 0.000 0.230 734 G HA3 0.243 4.203 3.960 0.001 0.000 0.230 734 G C 0.427 175.214 174.900 -0.188 0.000 1.248 734 G CA -0.025 45.009 45.100 -0.110 0.000 0.863 734 G HN 0.948 nan 8.290 nan 0.000 0.549 735 L N 1.377 122.420 121.223 -0.300 0.000 2.629 735 L HA 0.148 4.488 4.340 0.001 0.000 0.230 735 L C 2.534 179.218 176.870 -0.308 0.000 1.151 735 L CA 0.048 54.675 54.840 -0.356 0.000 0.924 735 L CB -0.175 41.521 42.059 -0.606 0.000 1.137 735 L HN 0.754 nan 8.230 nan 0.000 0.457 736 K N 1.096 121.362 120.400 -0.223 0.000 2.113 736 K HA -0.192 4.129 4.320 0.001 0.000 0.208 736 K C 1.517 178.014 176.600 -0.172 0.000 1.047 736 K CA 1.892 58.078 56.287 -0.167 0.000 0.928 736 K CB 0.056 32.493 32.500 -0.104 0.000 0.716 736 K HN 0.373 nan 8.250 nan 0.000 0.446 737 T N -1.803 112.638 114.554 -0.188 0.000 3.251 737 T HA 0.310 4.661 4.350 0.001 0.000 0.259 737 T C 0.028 174.623 174.700 -0.174 0.000 0.998 737 T CA -0.718 61.280 62.100 -0.171 0.000 0.905 737 T CB 0.204 68.964 68.868 -0.180 0.000 1.067 737 T HN -0.049 nan 8.240 nan 0.000 0.569 738 R N 1.061 121.448 120.500 -0.188 0.000 2.803 738 R HA 0.585 4.926 4.340 0.001 0.000 0.276 738 R C -0.458 175.740 176.300 -0.169 0.000 0.978 738 R CA -0.938 55.074 56.100 -0.147 0.000 0.939 738 R CB 1.104 31.332 30.300 -0.120 0.000 1.179 738 R HN -0.011 nan 8.270 nan 0.000 0.472 739 K N 1.964 122.301 120.400 -0.104 0.000 2.126 739 K HA 0.078 4.399 4.320 0.001 0.000 0.257 739 K C 0.390 176.944 176.600 -0.076 0.000 1.007 739 K CA 0.059 56.285 56.287 -0.101 0.000 0.928 739 K CB 0.461 32.951 32.500 -0.018 0.000 1.013 739 K HN 0.514 nan 8.250 nan 0.000 0.473 740 Y N 0.511 120.822 120.300 0.019 0.000 2.256 740 Y HA -0.238 4.312 4.550 0.001 0.000 0.288 740 Y C 2.349 178.261 175.900 0.020 0.000 1.155 740 Y CA 2.271 60.390 58.100 0.031 0.000 1.203 740 Y CB -0.613 37.873 38.460 0.043 0.000 0.980 740 Y HN 0.731 nan 8.280 nan 0.000 0.530 741 T N -2.792 111.861 114.554 0.164 0.000 2.951 741 T HA -0.129 4.221 4.350 0.001 0.000 0.268 741 T C 1.406 176.142 174.700 0.061 0.000 1.073 741 T CA 1.452 63.609 62.100 0.095 0.000 1.134 741 T CB -0.234 68.675 68.868 0.069 0.000 0.884 741 T HN 0.431 nan 8.240 nan 0.000 0.479 742 E N 1.014 121.246 120.200 0.054 0.000 2.385 742 E HA 0.067 4.417 4.350 0.001 0.000 0.194 742 E C 2.268 178.900 176.600 0.053 0.000 1.013 742 E CA 0.787 57.217 56.400 0.051 0.000 0.866 742 E CB 0.105 29.834 29.700 0.048 0.000 0.832 742 E HN 0.637 nan 8.360 nan 0.000 0.500 743 V N -1.856 118.083 119.914 0.040 0.000 3.212 743 V HA 0.099 4.219 4.120 0.001 0.000 0.244 743 V C 1.838 177.925 176.094 -0.012 0.000 1.151 743 V CA 0.257 62.557 62.300 0.001 0.000 1.119 743 V CB -0.079 31.741 31.823 -0.005 0.000 0.838 743 V HN -0.054 nan 8.190 nan 0.000 0.470 744 K N 1.930 122.366 120.400 0.061 0.000 1.991 744 K HA -0.046 4.274 4.320 0.001 0.000 0.212 744 K C 0.042 176.637 176.600 -0.009 0.000 1.049 744 K CA 2.243 58.563 56.287 0.056 0.000 0.932 744 K CB -1.498 31.048 32.500 0.077 0.000 0.717 744 K HN 0.482 nan 8.250 nan 0.000 0.441 745 P HA -0.152 nan 4.420 nan 0.000 0.217 745 P C 1.122 178.360 177.300 -0.104 0.000 1.150 745 P CA 1.648 64.721 63.100 -0.045 0.000 0.832 745 P CB 0.075 31.758 31.700 -0.028 0.000 0.787 746 A N 0.904 123.620 122.820 -0.174 0.000 1.834 746 A HA -0.178 4.142 4.320 0.001 0.000 0.216 746 A C 2.521 179.865 177.584 -0.401 0.000 1.203 746 A CA 1.804 53.607 52.037 -0.390 0.000 0.621 746 A CB -1.687 16.913 19.000 -0.665 0.000 0.841 746 A HN 0.109 nan 8.150 nan 0.000 0.446 747 L N 0.008 121.042 121.223 -0.314 0.000 2.013 747 L HA -0.291 4.050 4.340 0.001 0.000 0.212 747 L C 2.714 179.523 176.870 -0.102 0.000 1.073 747 L CA 2.207 56.939 54.840 -0.180 0.000 0.753 747 L CB -0.583 41.443 42.059 -0.054 0.000 0.890 747 L HN 0.672 nan 8.230 nan 0.000 0.432 748 K N 0.296 120.653 120.400 -0.073 0.000 2.107 748 K HA -0.199 4.122 4.320 0.001 0.000 0.211 748 K C 0.796 177.366 176.600 -0.051 0.000 1.049 748 K CA 1.421 57.681 56.287 -0.044 0.000 0.927 748 K CB -0.237 32.243 32.500 -0.034 0.000 0.714 748 K HN 0.337 nan 8.250 nan 0.000 0.452 752 D N 1.729 122.118 120.400 -0.018 0.000 2.158 752 D HA -0.149 4.492 4.640 0.001 0.000 0.197 752 D C 1.971 178.263 176.300 -0.013 0.000 0.995 752 D CA 1.789 55.779 54.000 -0.016 0.000 0.846 752 D CB -0.196 40.594 40.800 -0.016 0.000 0.941 752 D HN 0.635 nan 8.370 nan 0.000 0.456 753 A N 1.776 124.589 122.820 -0.011 0.000 1.849 753 A HA -0.140 4.181 4.320 0.001 0.000 0.217 753 A C 2.475 180.054 177.584 -0.009 0.000 1.202 753 A CA 2.873 54.906 52.037 -0.006 0.000 0.629 753 A CB -1.095 17.906 19.000 0.001 0.000 0.834 753 A HN 0.265 nan 8.150 nan 0.000 0.447 754 A N -0.249 122.563 122.820 -0.013 0.000 1.873 754 A HA -0.262 4.058 4.320 0.001 0.000 0.218 754 A C 2.072 179.640 177.584 -0.026 0.000 1.193 754 A CA 2.236 54.259 52.037 -0.024 0.000 0.629 754 A CB -0.686 18.291 19.000 -0.038 0.000 0.826 754 A HN 0.607 nan 8.150 nan 0.000 0.447 755 K N -0.926 119.459 120.400 -0.025 0.000 1.990 755 K HA -0.255 4.065 4.320 0.001 0.000 0.225 755 K C 1.971 178.560 176.600 -0.018 0.000 1.053 755 K CA 1.773 58.047 56.287 -0.023 0.000 0.982 755 K CB -0.818 31.671 32.500 -0.019 0.000 0.734 755 K HN 0.420 nan 8.250 nan 0.000 0.448 756 L N 1.761 122.976 121.223 -0.014 0.000 1.951 756 L HA -0.242 4.099 4.340 0.001 0.000 0.222 756 L C 2.135 178.999 176.870 -0.010 0.000 1.078 756 L CA 1.781 56.615 54.840 -0.010 0.000 0.778 756 L CB -0.710 41.345 42.059 -0.007 0.000 0.893 756 L HN 0.214 nan 8.230 nan 0.000 0.436 757 I N -0.068 120.497 120.570 -0.009 0.000 2.181 757 I HA -0.365 3.805 4.170 0.001 0.000 0.247 757 I C 2.774 178.884 176.117 -0.012 0.000 1.081 757 I CA 1.793 63.089 61.300 -0.007 0.000 1.340 757 I CB -1.479 36.518 38.000 -0.006 0.000 1.036 757 I HN 0.438 nan 8.210 nan 0.000 0.417 758 R N 0.426 120.916 120.500 -0.018 0.000 2.070 758 R HA -0.128 4.213 4.340 0.001 0.000 0.233 758 R C 2.471 178.761 176.300 -0.017 0.000 1.137 758 R CA 1.793 57.879 56.100 -0.022 0.000 0.945 758 R CB -0.493 29.789 30.300 -0.031 0.000 0.845 758 R HN 0.322 nan 8.270 nan 0.000 0.430 759 S N 1.145 116.836 115.700 -0.016 0.000 2.425 759 S HA -0.265 4.205 4.470 0.001 0.000 0.256 759 S C 0.933 175.527 174.600 -0.010 0.000 1.101 759 S CA 1.465 59.658 58.200 -0.012 0.000 1.188 759 S CB -0.416 62.778 63.200 -0.011 0.000 1.085 759 S HN 0.317 nan 8.310 nan 0.000 0.439 760 Q N 0.000 119.795 119.800 -0.008 0.000 2.315 760 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 760 Q CA 0.000 55.800 55.803 -0.006 0.000 1.022 760 Q CB 0.000 28.736 28.738 -0.004 0.000 1.108 760 Q HN 0.000 nan 8.270 nan 0.000 0.481