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 1g8k_1_A DATA FIRST_RESID 4 DATA SEQUENCE NDRITLPPAN AQRTNMTCHF CIVGCGYHVY KWPELEEGGR APEQNALGLD DATA SEQUENCE FRKQLPPLAV TLTPAMTNVV TEHDGARYDI MVVPDKACVV NSGLSSTRGG DATA SEQUENCE KMASYMYTPT GDGKERLSAP RLYAADEWVD TTWDHAMALY AGLIKKTLDK DATA SEQUENCE DGPQGVFFSC FDHGGAGGGF ENTWGTGKLM FSAIQTPMVR IHNRPAYNSE DATA SEQUENCE CHATREMGIG ELNNAYEDAQ LADVIWSIGN NPYESQTNYF LNHWLPNLQG DATA SEQUENCE ATTSKKKERF PNENFPQARI IFVDPRETPS VAIARHVAGN DRVLHLAIEP DATA SEQUENCE GTDTALFNGL FTYVVEQGWI DKPFIEAHTK GFDDAVKTNR LSLDECSNIT DATA SEQUENCE GVPVDMLKRA AEWSYKPKAS GQAPRTMHAY EKGIIWGNDN YVIQSALLDL DATA SEQUENCE VIATHNVGRR GTGCVRMGGH QEGYTRPPYP GDKKIYIDQE LIKGKGRIMT DATA SEQUENCE WWGCNNFQTS NNAQALREAI LQRSAIVKQA MQKARGATTE EMVDVIYEAT DATA SEQUENCE QNGGLFVTSI NLYPTKLAEA AHLMLPAAHP GEMNLTSMNG ERRIRLSEKF DATA SEQUENCE MDPPGTAMAD CLIAARIANA LRDMYQKDGK AEMAAQFEGF DWKTEEDAFN DATA SEQUENCE DGFRRAGQPG APAIDSQGGS TGHLVTYDRL RKSGNNGVQL PVVSWDESKG DATA SEQUENCE LVGTEMLYTE GKFDTDDGKA HFKPAPWNGL PATVQQQKDK YRFWLNNGRN DATA SEQUENCE NEVWQTAYHD QYNSLMQERY PMAYIEMNPD DCKQLDVTGG DIVEVYNDFG DATA SEQUENCE STFAMVYPVA EIKRGQTFML FGYVNGIQGD VTTDWTDRDI IPYYKGTWGD DATA SEQUENCE IRKVGSMSEF KRTVSFKSRR FG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.507 175.510 -0.005 0.000 1.280 4 N CA 0.000 53.046 53.050 -0.006 0.000 0.885 4 N CB 0.000 38.482 38.487 -0.008 0.000 1.341 5 D N 0.430 120.827 120.400 -0.005 0.000 2.559 5 D HA 0.219 4.859 4.640 0.000 0.000 0.234 5 D C 0.183 176.479 176.300 -0.006 0.000 1.226 5 D CA -0.081 53.917 54.000 -0.003 0.000 0.830 5 D CB 0.479 41.278 40.800 -0.001 0.000 1.028 5 D HN 0.501 nan 8.370 nan 0.000 0.492 6 R N -1.393 119.100 120.500 -0.011 0.000 2.728 6 R HA 0.621 4.961 4.340 0.000 0.000 0.274 6 R C -1.862 174.421 176.300 -0.029 0.000 1.032 6 R CA -0.885 55.201 56.100 -0.023 0.000 0.866 6 R CB 0.581 30.867 30.300 -0.023 0.000 1.263 6 R HN -0.018 nan 8.270 nan 0.000 0.475 7 I N 0.741 121.279 120.570 -0.053 0.000 2.828 7 I HA 0.308 4.478 4.170 0.000 0.000 0.302 7 I C -0.521 175.563 176.117 -0.054 0.000 1.101 7 I CA -1.130 60.141 61.300 -0.049 0.000 1.031 7 I CB 3.038 40.995 38.000 -0.071 0.000 1.231 7 I HN 0.641 nan 8.210 nan 0.000 0.427 8 T N 6.181 120.749 114.554 0.025 0.000 2.728 8 T HA 0.450 4.800 4.350 0.000 0.000 0.296 8 T C 0.020 174.802 174.700 0.136 0.000 0.940 8 T CA -0.375 61.785 62.100 0.100 0.000 1.013 8 T CB 0.172 69.159 68.868 0.199 0.000 0.912 8 T HN 0.222 nan 8.240 nan 0.000 0.484 9 L N 6.234 127.407 121.223 -0.083 0.000 2.417 9 L HA 0.335 4.676 4.340 0.000 0.000 0.268 9 L C -1.732 174.820 176.870 -0.530 0.000 1.158 9 L CA -2.151 52.519 54.840 -0.282 0.000 0.819 9 L CB 0.373 42.200 42.059 -0.387 0.000 1.112 9 L HN 0.321 nan 8.230 nan 0.000 0.458 10 P HA 0.212 nan 4.420 nan 0.000 0.276 10 P C -2.626 174.069 177.300 -1.007 0.000 1.230 10 P CA -1.713 60.327 63.100 -1.767 0.000 0.776 10 P CB 0.467 31.352 31.700 -1.359 0.000 0.888 11 P HA 0.000 nan 4.420 nan 0.000 0.270 11 P C 0.984 178.085 177.300 -0.331 0.000 1.223 11 P CA 0.156 62.978 63.100 -0.464 0.000 0.785 11 P CB 0.244 31.749 31.700 -0.326 0.000 0.923 12 A N 2.772 125.468 122.820 -0.206 0.000 1.958 12 A HA -0.228 4.093 4.320 0.000 0.000 0.221 12 A C 1.404 178.928 177.584 -0.101 0.000 1.178 12 A CA 1.840 53.792 52.037 -0.141 0.000 0.642 12 A CB -1.084 17.861 19.000 -0.092 0.000 0.816 12 A HN 0.561 nan 8.150 nan 0.000 0.453 13 N N 0.128 118.779 118.700 -0.082 0.000 2.313 13 N HA 0.307 5.047 4.740 0.000 0.000 0.207 13 N C 0.276 175.784 175.510 -0.003 0.000 1.141 13 N CA 0.653 53.684 53.050 -0.031 0.000 0.830 13 N CB -0.119 38.361 38.487 -0.011 0.000 1.008 13 N HN 0.491 nan 8.380 nan 0.000 0.481 14 A N 0.777 123.574 122.820 -0.038 0.000 2.520 14 A HA -0.028 4.293 4.320 0.000 0.000 0.235 14 A C 0.744 178.405 177.584 0.129 0.000 1.065 14 A CA -0.161 51.906 52.037 0.051 0.000 0.764 14 A CB 0.220 19.174 19.000 -0.077 0.000 1.002 14 A HN 0.394 nan 8.150 nan 0.000 0.502 15 Q N 1.034 120.932 119.800 0.163 0.000 2.337 15 Q HA 0.263 4.603 4.340 0.000 0.000 0.270 15 Q C -0.107 175.930 176.000 0.061 0.000 1.002 15 Q CA 0.235 56.096 55.803 0.097 0.000 0.888 15 Q CB 0.386 29.180 28.738 0.093 0.000 1.222 15 Q HN 0.686 nan 8.270 nan 0.000 0.400 16 R N 2.429 122.895 120.500 -0.057 0.000 2.575 16 R HA 0.433 4.773 4.340 0.000 0.000 0.293 16 R C -1.374 174.806 176.300 -0.200 0.000 0.983 16 R CA -0.236 55.703 56.100 -0.269 0.000 0.887 16 R CB 1.723 31.764 30.300 -0.432 0.000 1.184 16 R HN 0.885 nan 8.270 nan 0.000 0.445 17 T N 0.094 114.526 114.554 -0.203 0.000 2.916 17 T HA 0.474 4.825 4.350 0.000 0.000 0.292 17 T C -0.485 174.190 174.700 -0.042 0.000 1.064 17 T CA -1.099 60.945 62.100 -0.093 0.000 1.011 17 T CB 1.540 70.387 68.868 -0.035 0.000 1.152 17 T HN 0.428 nan 8.240 nan 0.000 0.510 18 N N 0.994 119.697 118.700 0.004 0.000 2.518 18 N HA 0.609 5.350 4.740 0.000 0.000 0.283 18 N C -0.885 174.613 175.510 -0.019 0.000 1.119 18 N CA -0.535 52.528 53.050 0.022 0.000 0.983 18 N CB 1.372 39.858 38.487 -0.001 0.000 1.139 18 N HN 0.758 nan 8.380 nan 0.000 0.465 19 M N 0.677 120.263 119.600 -0.023 0.000 2.224 19 M HA 0.285 4.765 4.480 0.000 0.000 0.281 19 M C -1.232 175.066 176.300 -0.004 0.000 1.025 19 M CA -0.218 55.071 55.300 -0.019 0.000 0.954 19 M CB 1.463 34.041 32.600 -0.036 0.000 1.639 19 M HN 0.301 nan 8.290 nan 0.000 0.461 20 T N 3.254 117.793 114.554 -0.025 0.000 2.897 20 T HA 0.276 4.626 4.350 0.000 0.000 0.294 20 T C -0.127 174.538 174.700 -0.059 0.000 1.004 20 T CA -0.236 61.860 62.100 -0.006 0.000 1.106 20 T CB 0.623 69.474 68.868 -0.028 0.000 0.949 20 T HN 0.905 nan 8.240 nan 0.000 0.520 21 C N 3.534 122.802 119.300 -0.053 0.000 2.502 21 C HA -0.034 4.426 4.460 0.000 0.000 0.404 21 C C 2.032 176.848 174.990 -0.289 0.000 1.409 21 C CA 0.009 58.863 59.018 -0.273 0.000 1.648 21 C CB -1.152 26.530 27.740 -0.096 0.000 2.571 21 C HN 1.007 nan 8.230 nan 0.000 0.601 22 H N 3.000 121.578 119.070 -0.819 0.000 2.521 22 H HA -0.029 4.527 4.556 0.000 0.000 0.286 22 H C 0.749 175.597 175.328 -0.800 0.000 1.034 22 H CA 1.583 57.083 56.048 -0.913 0.000 1.278 22 H CB 0.217 29.079 29.762 -1.499 0.000 1.386 22 H HN 0.687 nan 8.280 nan 0.000 0.567 23 F N 0.213 120.002 119.950 -0.269 0.000 2.480 23 F HA 0.063 4.590 4.527 0.000 0.000 0.212 23 F C 1.680 177.237 175.800 -0.406 0.000 1.113 23 F CA -0.896 56.653 58.000 -0.752 0.000 0.970 23 F CB -0.920 37.188 39.000 -1.486 0.000 1.177 23 F HN 0.074 nan 8.300 nan 0.000 0.663 24 C N 1.735 120.988 119.300 -0.079 0.000 2.639 24 C HA 0.281 4.742 4.460 0.000 0.000 0.360 24 C C 2.153 177.258 174.990 0.191 0.000 1.351 24 C CA -1.019 58.137 59.018 0.230 0.000 2.408 24 C CB 0.024 27.941 27.740 0.295 0.000 2.517 24 C HN 0.696 nan 8.230 nan 0.000 0.696 25 I N 1.887 122.588 120.570 0.219 0.000 2.229 25 I HA -0.172 3.998 4.170 0.000 0.000 0.250 25 I C 2.098 178.333 176.117 0.197 0.000 1.096 25 I CA 1.984 63.402 61.300 0.197 0.000 1.358 25 I CB -0.383 37.732 38.000 0.191 0.000 1.047 25 I HN 0.707 nan 8.210 nan 0.000 0.422 26 V N 1.511 121.548 119.914 0.205 0.000 2.380 26 V HA -0.187 3.933 4.120 0.000 0.000 0.251 26 V C 1.892 178.113 176.094 0.210 0.000 1.063 26 V CA 1.535 63.986 62.300 0.252 0.000 1.055 26 V CB -1.919 30.021 31.823 0.195 0.000 0.657 26 V HN 0.801 nan 8.190 nan 0.000 0.455 27 G N -0.673 108.213 108.800 0.143 0.000 2.272 27 G HA2 -0.283 3.677 3.960 0.000 0.000 0.280 27 G HA3 -0.283 3.677 3.960 0.000 0.000 0.280 27 G C 0.115 175.078 174.900 0.105 0.000 1.067 27 G CA -0.001 45.157 45.100 0.097 0.000 0.902 27 G HN 0.550 nan 8.290 nan 0.000 0.500 28 C N 0.131 119.517 119.300 0.143 0.000 2.597 28 C HA 0.477 4.938 4.460 0.000 0.000 0.412 28 C C 1.688 176.763 174.990 0.142 0.000 1.348 28 C CA 0.405 59.502 59.018 0.131 0.000 1.769 28 C CB 0.000 27.843 27.740 0.171 0.000 2.641 28 C HN 1.019 nan 8.230 nan 0.000 0.612 29 G N 1.807 110.610 108.800 0.006 0.000 2.372 29 G HA2 0.542 4.502 3.960 0.000 0.000 0.283 29 G HA3 0.542 4.502 3.960 0.000 0.000 0.283 29 G C -1.231 173.564 174.900 -0.175 0.000 1.177 29 G CA -0.046 45.029 45.100 -0.041 0.000 0.842 29 G HN 0.745 nan 8.290 nan 0.000 0.503 30 Y N -0.611 119.545 120.300 -0.240 0.000 2.609 30 Y HA 0.454 5.004 4.550 0.000 0.000 0.342 30 Y C 0.123 175.801 175.900 -0.370 0.000 1.058 30 Y CA -0.836 57.107 58.100 -0.262 0.000 1.055 30 Y CB 2.465 40.826 38.460 -0.166 0.000 1.292 30 Y HN 0.616 nan 8.280 nan 0.000 0.476 31 H N -0.204 118.870 119.070 0.008 0.000 2.524 31 H HA 0.655 5.211 4.556 0.000 0.000 0.353 31 H C -1.305 173.872 175.328 -0.252 0.000 1.136 31 H CA -1.065 54.863 56.048 -0.199 0.000 1.193 31 H CB 1.889 31.435 29.762 -0.359 0.000 1.558 31 H HN 0.234 nan 8.280 nan 0.000 0.515 32 V N 3.917 123.681 119.914 -0.250 0.000 2.357 32 V HA 0.159 4.279 4.120 0.000 0.000 0.284 32 V C -0.927 174.930 176.094 -0.394 0.000 1.018 32 V CA -0.713 61.364 62.300 -0.371 0.000 0.841 32 V CB 0.249 31.641 31.823 -0.719 0.000 0.991 32 V HN 0.639 nan 8.190 nan 0.000 0.437 33 Y N 3.603 123.895 120.300 -0.015 0.000 2.323 33 Y HA 0.593 5.144 4.550 0.000 0.000 0.331 33 Y C 0.337 176.390 175.900 0.255 0.000 1.092 33 Y CA -0.369 57.804 58.100 0.122 0.000 1.150 33 Y CB 1.468 40.026 38.460 0.163 0.000 1.200 33 Y HN 0.474 nan 8.280 nan 0.000 0.472 34 K N 4.483 125.142 120.400 0.431 0.000 2.482 34 K HA 0.517 4.838 4.320 0.000 0.000 0.251 34 K C -1.973 174.964 176.600 0.563 0.000 0.936 34 K CA -0.614 55.883 56.287 0.350 0.000 0.791 34 K CB 1.737 34.312 32.500 0.124 0.000 1.213 34 K HN 0.816 nan 8.250 nan 0.000 0.428 35 W N 1.832 123.264 121.300 0.219 0.000 3.146 35 W HA 0.477 5.137 4.660 0.001 0.000 0.319 35 W C -3.149 173.540 176.519 0.284 0.000 1.258 35 W CA -2.231 55.255 57.345 0.235 0.000 1.189 35 W CB -0.044 29.487 29.460 0.119 0.000 1.412 35 W HN 0.329 nan 8.180 nan 0.000 0.567 36 P HA -0.091 nan 4.420 nan 0.000 0.264 36 P C 0.924 178.113 177.300 -0.184 0.000 1.183 36 P CA 0.525 63.580 63.100 -0.075 0.000 0.763 36 P CB 0.884 32.592 31.700 0.014 0.000 0.807 37 E N 2.814 122.825 120.200 -0.315 0.000 2.114 37 E HA -0.207 4.143 4.350 0.000 0.000 0.199 37 E C 0.905 177.433 176.600 -0.121 0.000 1.008 37 E CA 1.324 57.569 56.400 -0.259 0.000 0.810 37 E CB -0.239 29.325 29.700 -0.226 0.000 0.739 37 E HN 0.433 nan 8.360 nan 0.000 0.456 38 L N 0.727 121.910 121.223 -0.068 0.000 2.645 38 L HA 0.169 4.509 4.340 0.000 0.000 0.235 38 L C 0.465 177.372 176.870 0.062 0.000 1.150 38 L CA 0.064 54.900 54.840 -0.007 0.000 0.911 38 L CB -0.098 41.947 42.059 -0.022 0.000 1.077 38 L HN 0.045 nan 8.230 nan 0.000 0.438 39 E N 0.759 121.050 120.200 0.151 0.000 2.249 39 E HA 0.493 4.844 4.350 0.000 0.000 0.263 39 E C -0.515 176.301 176.600 0.360 0.000 0.950 39 E CA -0.596 55.940 56.400 0.227 0.000 0.827 39 E CB 1.923 31.797 29.700 0.291 0.000 1.220 39 E HN 0.184 nan 8.360 nan 0.000 0.411 40 E N -0.176 120.126 120.200 0.170 0.000 2.388 40 E HA 0.474 4.824 4.350 0.000 0.000 0.280 40 E C -0.870 175.666 176.600 -0.106 0.000 1.019 40 E CA -1.097 55.355 56.400 0.086 0.000 0.806 40 E CB 0.969 30.738 29.700 0.115 0.000 1.246 40 E HN 0.514 nan 8.360 nan 0.000 0.443 41 G N 0.384 109.039 108.800 -0.243 0.000 2.562 41 G HA2 0.532 4.493 3.960 0.000 0.000 0.275 41 G HA3 0.532 4.493 3.960 0.000 0.000 0.275 41 G C 0.145 174.959 174.900 -0.144 0.000 1.196 41 G CA -0.250 44.711 45.100 -0.232 0.000 0.908 41 G HN 0.572 nan 8.290 nan 0.000 0.524 42 G N -1.134 107.602 108.800 -0.106 0.000 2.477 42 G HA2 0.401 4.361 3.960 0.000 0.000 0.304 42 G HA3 0.401 4.361 3.960 0.000 0.000 0.304 42 G C 0.770 175.650 174.900 -0.033 0.000 1.175 42 G CA -0.663 44.401 45.100 -0.061 0.000 0.907 42 G HN 0.555 nan 8.290 nan 0.000 0.509 43 R N 0.226 120.729 120.500 0.006 0.000 2.148 43 R HA 0.063 4.404 4.340 0.000 0.000 0.227 43 R C 1.625 177.998 176.300 0.121 0.000 1.103 43 R CA 0.736 56.895 56.100 0.098 0.000 0.983 43 R CB -0.154 30.202 30.300 0.094 0.000 0.874 43 R HN 0.531 nan 8.270 nan 0.000 0.451 44 A N 2.358 125.206 122.820 0.047 0.000 2.498 44 A HA 0.096 4.416 4.320 0.000 0.000 0.239 44 A C -1.462 176.133 177.584 0.020 0.000 1.068 44 A CA -1.143 50.907 52.037 0.022 0.000 0.766 44 A CB 0.123 19.123 19.000 0.001 0.000 1.003 44 A HN 0.025 nan 8.150 nan 0.000 0.497 45 P HA -0.186 nan 4.420 nan 0.000 0.216 45 P C 0.688 177.973 177.300 -0.025 0.000 1.150 45 P CA 1.349 64.438 63.100 -0.018 0.000 0.843 45 P CB 0.216 31.888 31.700 -0.047 0.000 0.787 46 E N -0.543 119.641 120.200 -0.027 0.000 2.502 46 E HA -0.015 4.335 4.350 0.000 0.000 0.194 46 E C 1.644 178.219 176.600 -0.041 0.000 1.062 46 E CA 0.456 56.836 56.400 -0.033 0.000 0.867 46 E CB -0.076 29.607 29.700 -0.028 0.000 0.888 46 E HN 0.532 nan 8.360 nan 0.000 0.510 47 Q N 0.668 120.445 119.800 -0.040 0.000 2.247 47 Q HA 0.075 4.415 4.340 0.000 0.000 0.204 47 Q C -0.228 175.717 176.000 -0.093 0.000 0.872 47 Q CA -0.087 55.682 55.803 -0.056 0.000 0.951 47 Q CB 0.169 28.882 28.738 -0.042 0.000 1.099 47 Q HN 0.202 nan 8.270 nan 0.000 0.501 48 N N -2.524 116.117 118.700 -0.098 0.000 2.284 48 N HA 0.423 5.164 4.740 0.000 0.000 0.289 48 N C -0.051 175.341 175.510 -0.197 0.000 1.179 48 N CA -0.391 52.554 53.050 -0.175 0.000 0.774 48 N CB 1.035 39.436 38.487 -0.142 0.000 1.548 48 N HN -0.141 nan 8.380 nan 0.000 0.473 49 A N 0.567 123.188 122.820 -0.332 0.000 2.121 49 A HA 0.054 4.374 4.320 0.000 0.000 0.218 49 A C 1.534 178.943 177.584 -0.292 0.000 1.154 49 A CA 0.671 52.513 52.037 -0.324 0.000 0.679 49 A CB -0.847 17.854 19.000 -0.499 0.000 0.795 49 A HN 0.689 nan 8.150 nan 0.000 0.458 50 L N -1.362 119.689 121.223 -0.286 0.000 2.291 50 L HA 0.078 4.419 4.340 0.000 0.000 0.214 50 L C 1.839 178.683 176.870 -0.044 0.000 1.120 50 L CA 0.644 55.407 54.840 -0.127 0.000 0.799 50 L CB -0.564 41.486 42.059 -0.016 0.000 0.925 50 L HN 0.557 nan 8.230 nan 0.000 0.446 51 G N 0.810 109.581 108.800 -0.048 0.000 2.153 51 G HA2 -0.280 3.681 3.960 0.000 0.000 0.252 51 G HA3 -0.280 3.681 3.960 0.000 0.000 0.252 51 G C 0.076 174.939 174.900 -0.062 0.000 0.994 51 G CA 0.023 45.097 45.100 -0.044 0.000 0.698 51 G HN 0.242 nan 8.290 nan 0.000 0.521 52 L N 0.138 121.321 121.223 -0.068 0.000 2.334 52 L HA 0.495 4.835 4.340 0.000 0.000 0.275 52 L C -0.154 176.546 176.870 -0.282 0.000 1.036 52 L CA -1.041 53.655 54.840 -0.241 0.000 0.807 52 L CB 1.502 43.302 42.059 -0.431 0.000 1.231 52 L HN 0.045 nan 8.230 nan 0.000 0.438 53 D N 1.794 122.002 120.400 -0.320 0.000 2.393 53 D HA 0.144 4.784 4.640 0.000 0.000 0.232 53 D C 0.043 176.173 176.300 -0.283 0.000 1.192 53 D CA -0.039 53.839 54.000 -0.202 0.000 0.882 53 D CB 0.495 41.217 40.800 -0.131 0.000 1.038 53 D HN 0.214 nan 8.370 nan 0.000 0.499 54 F N 2.147 122.071 119.950 -0.043 0.000 2.664 54 F HA 0.243 4.770 4.527 0.001 0.000 0.301 54 F C 2.020 177.802 175.800 -0.029 0.000 1.126 54 F CA -0.215 57.763 58.000 -0.036 0.000 1.373 54 F CB 0.262 39.237 39.000 -0.042 0.000 1.042 54 F HN 0.212 nan 8.300 nan 0.000 0.535 55 R N 0.846 121.399 120.500 0.089 0.000 2.275 55 R HA 0.056 4.396 4.340 0.000 0.000 0.199 55 R C 0.309 176.627 176.300 0.030 0.000 0.989 55 R CA 0.552 56.684 56.100 0.053 0.000 1.016 55 R CB 0.078 30.392 30.300 0.024 0.000 0.918 55 R HN 0.265 nan 8.270 nan 0.000 0.473 56 K N -0.696 119.710 120.400 0.010 0.000 2.533 56 K HA 0.226 4.546 4.320 0.000 0.000 0.272 56 K C -1.192 175.399 176.600 -0.015 0.000 0.985 56 K CA -1.133 55.153 56.287 -0.002 0.000 0.876 56 K CB 1.028 33.517 32.500 -0.017 0.000 1.452 56 K HN -0.361 nan 8.250 nan 0.000 0.439 57 Q N 1.430 121.224 119.800 -0.010 0.000 2.310 57 Q HA 0.050 4.390 4.340 0.000 0.000 0.315 57 Q C -1.022 174.943 176.000 -0.058 0.000 1.081 57 Q CA 0.559 56.352 55.803 -0.016 0.000 0.981 57 Q CB 0.329 29.061 28.738 -0.010 0.000 1.184 57 Q HN 0.587 nan 8.270 nan 0.000 0.389 58 L N 6.732 127.906 121.223 -0.081 0.000 2.375 58 L HA 0.507 4.848 4.340 0.000 0.000 0.271 58 L C -1.670 175.154 176.870 -0.077 0.000 1.107 58 L CA -2.046 52.718 54.840 -0.127 0.000 0.806 58 L CB 0.974 42.920 42.059 -0.189 0.000 1.146 58 L HN 0.776 nan 8.230 nan 0.000 0.447 59 P HA 0.243 nan 4.420 nan 0.000 0.276 59 P C -2.664 174.610 177.300 -0.044 0.000 1.252 59 P CA -1.438 61.630 63.100 -0.052 0.000 0.802 59 P CB -0.210 31.460 31.700 -0.052 0.000 1.035 60 P HA 0.058 nan 4.420 nan 0.000 0.267 60 P C 0.685 177.968 177.300 -0.028 0.000 1.200 60 P CA 0.174 63.261 63.100 -0.022 0.000 0.772 60 P CB 0.310 32.002 31.700 -0.014 0.000 0.855 61 L N -0.939 120.269 121.223 -0.024 0.000 4.884 61 L HA -0.319 4.021 4.340 0.000 0.000 0.430 61 L C 1.580 178.428 176.870 -0.036 0.000 1.087 61 L CA 0.918 55.742 54.840 -0.027 0.000 1.033 61 L CB -2.229 39.813 42.059 -0.028 0.000 2.030 61 L HN 0.455 nan 8.230 nan 0.000 0.762 62 A N -0.723 122.069 122.820 -0.046 0.000 2.066 62 A HA 0.393 4.713 4.320 0.000 0.000 0.218 62 A C 0.854 178.403 177.584 -0.057 0.000 1.157 62 A CA 1.671 53.669 52.037 -0.065 0.000 0.670 62 A CB 0.414 19.355 19.000 -0.098 0.000 0.804 62 A HN 0.321 nan 8.150 nan 0.000 0.453 63 V N -2.087 117.807 119.914 -0.034 0.000 3.264 63 V HA 0.498 4.618 4.120 0.000 0.000 0.294 63 V C -1.628 174.474 176.094 0.013 0.000 1.429 63 V CA -0.401 61.896 62.300 -0.005 0.000 1.053 63 V CB 2.296 34.128 31.823 0.014 0.000 1.128 63 V HN 0.069 nan 8.190 nan 0.000 0.452 64 T N 5.548 120.118 114.554 0.027 0.000 2.892 64 T HA 0.725 5.075 4.350 0.000 0.000 0.311 64 T C -1.253 173.484 174.700 0.062 0.000 1.033 64 T CA -0.124 61.995 62.100 0.032 0.000 0.991 64 T CB 0.800 69.675 68.868 0.011 0.000 0.981 64 T HN 0.809 nan 8.240 nan 0.000 0.457 65 L N 4.040 125.305 121.223 0.070 0.000 2.639 65 L HA 0.694 5.034 4.340 0.000 0.000 0.264 65 L C -0.485 176.423 176.870 0.064 0.000 0.948 65 L CA -0.016 54.874 54.840 0.083 0.000 0.912 65 L CB 1.730 43.863 42.059 0.123 0.000 1.294 65 L HN 0.746 nan 8.230 nan 0.000 0.412 66 T N 1.447 116.029 114.554 0.046 0.000 2.841 66 T HA 0.641 4.991 4.350 0.000 0.000 0.296 66 T C -2.543 172.167 174.700 0.017 0.000 1.166 66 T CA -1.634 60.483 62.100 0.028 0.000 1.007 66 T CB 1.818 70.695 68.868 0.016 0.000 1.253 66 T HN 0.282 nan 8.240 nan 0.000 0.511 67 P HA 0.029 nan 4.420 nan 0.000 0.218 67 P C 1.567 178.859 177.300 -0.013 0.000 1.148 67 P CA 1.413 64.512 63.100 -0.002 0.000 0.822 67 P CB -0.260 31.436 31.700 -0.006 0.000 0.784 68 A N -1.107 121.698 122.820 -0.025 0.000 2.125 68 A HA -0.116 4.204 4.320 0.000 0.000 0.219 68 A C 1.808 179.354 177.584 -0.063 0.000 1.156 68 A CA 1.207 53.210 52.037 -0.058 0.000 0.671 68 A CB -1.215 17.737 19.000 -0.080 0.000 0.794 68 A HN 0.187 nan 8.150 nan 0.000 0.459 69 M N 0.452 120.041 119.600 -0.020 0.000 2.505 69 M HA 0.075 4.556 4.480 0.000 0.000 0.230 69 M C 0.386 176.700 176.300 0.024 0.000 1.153 69 M CA 0.546 55.850 55.300 0.005 0.000 0.997 69 M CB -0.153 32.478 32.600 0.052 0.000 1.606 69 M HN 0.474 nan 8.290 nan 0.000 0.481 70 T N -2.378 112.179 114.554 0.005 0.000 2.906 70 T HA 0.679 5.029 4.350 0.000 0.000 0.295 70 T C -0.682 174.005 174.700 -0.023 0.000 1.075 70 T CA -0.809 61.297 62.100 0.011 0.000 1.005 70 T CB 2.828 71.710 68.868 0.024 0.000 1.136 70 T HN 0.071 nan 8.240 nan 0.000 0.498 71 N N -0.584 118.088 118.700 -0.046 0.000 3.116 71 N HA 0.518 5.258 4.740 0.000 0.000 0.244 71 N C -2.115 173.338 175.510 -0.095 0.000 1.485 71 N CA -0.492 52.528 53.050 -0.051 0.000 0.884 71 N CB 2.179 40.657 38.487 -0.014 0.000 1.415 71 N HN 0.628 nan 8.380 nan 0.000 0.524 72 V N 1.556 121.421 119.914 -0.082 0.000 2.443 72 V HA 0.444 4.565 4.120 0.000 0.000 0.293 72 V C 0.055 176.120 176.094 -0.048 0.000 1.021 72 V CA -0.790 61.449 62.300 -0.101 0.000 0.848 72 V CB 1.334 33.088 31.823 -0.116 0.000 0.998 72 V HN 0.490 nan 8.190 nan 0.000 0.424 73 V N 2.262 122.180 119.914 0.008 0.000 2.834 73 V HA 0.812 4.933 4.120 0.000 0.000 0.313 73 V C 0.002 176.144 176.094 0.079 0.000 1.060 73 V CA -0.277 62.052 62.300 0.048 0.000 0.989 73 V CB 1.888 33.783 31.823 0.120 0.000 1.041 73 V HN 0.754 nan 8.190 nan 0.000 0.459 74 T N 2.830 117.431 114.554 0.079 0.000 2.815 74 T HA 0.433 4.783 4.350 0.000 0.000 0.289 74 T C -0.395 174.392 174.700 0.146 0.000 1.000 74 T CA -0.346 61.817 62.100 0.104 0.000 0.958 74 T CB 1.067 69.976 68.868 0.068 0.000 0.944 74 T HN 0.852 nan 8.240 nan 0.000 0.442 75 E N 1.233 121.535 120.200 0.170 0.000 2.376 75 E HA 0.168 4.518 4.350 0.000 0.000 0.254 75 E C 1.103 177.799 176.600 0.161 0.000 1.213 75 E CA -0.272 56.196 56.400 0.114 0.000 0.945 75 E CB 0.657 30.442 29.700 0.142 0.000 1.057 75 E HN 0.707 nan 8.360 nan 0.000 0.479 76 H N 0.232 119.348 119.070 0.075 0.000 2.457 76 H HA -0.142 4.415 4.556 0.001 0.000 0.297 76 H C 0.944 176.307 175.328 0.058 0.000 1.092 76 H CA 1.105 57.186 56.048 0.057 0.000 1.309 76 H CB 0.326 30.108 29.762 0.033 0.000 1.382 76 H HN 0.408 nan 8.280 nan 0.000 0.535 77 D N -0.880 119.634 120.400 0.189 0.000 2.336 77 D HA 0.034 4.675 4.640 0.000 0.000 0.229 77 D C 1.659 178.024 176.300 0.107 0.000 1.061 77 D CA 0.703 54.781 54.000 0.130 0.000 0.875 77 D CB -0.128 40.742 40.800 0.117 0.000 0.904 77 D HN 0.421 nan 8.370 nan 0.000 0.525 78 G N -0.551 108.320 108.800 0.118 0.000 2.179 78 G HA2 -0.221 3.739 3.960 0.000 0.000 0.260 78 G HA3 -0.221 3.739 3.960 0.000 0.000 0.260 78 G C 0.518 175.451 174.900 0.055 0.000 0.977 78 G CA 0.170 45.320 45.100 0.082 0.000 0.641 78 G HN 0.869 nan 8.290 nan 0.000 0.533 79 A N 0.217 123.083 122.820 0.077 0.000 2.401 79 A HA 0.734 5.055 4.320 0.000 0.000 0.259 79 A C 0.675 178.217 177.584 -0.069 0.000 1.103 79 A CA 0.108 52.134 52.037 -0.017 0.000 0.789 79 A CB 0.325 19.360 19.000 0.060 0.000 1.035 79 A HN 0.506 nan 8.150 nan 0.000 0.491 80 R N 0.624 120.961 120.500 -0.272 0.000 2.407 80 R HA 0.553 4.893 4.340 0.000 0.000 0.303 80 R C -1.745 174.237 176.300 -0.530 0.000 0.981 80 R CA -0.121 55.839 56.100 -0.233 0.000 0.905 80 R CB 1.252 31.455 30.300 -0.162 0.000 1.099 80 R HN 0.740 nan 8.270 nan 0.000 0.459 81 Y N 0.352 120.589 120.300 -0.104 0.000 2.421 81 Y HA 0.178 4.728 4.550 0.000 0.000 0.339 81 Y C -0.165 175.540 175.900 -0.325 0.000 0.996 81 Y CA -1.015 56.978 58.100 -0.178 0.000 1.046 81 Y CB 1.847 40.260 38.460 -0.078 0.000 1.226 81 Y HN 0.445 nan 8.280 nan 0.000 0.445 82 D N 4.236 124.315 120.400 -0.535 0.000 2.414 82 D HA 0.323 4.963 4.640 0.000 0.000 0.242 82 D C -0.196 175.672 176.300 -0.720 0.000 1.129 82 D CA 0.527 54.001 54.000 -0.876 0.000 0.885 82 D CB 1.174 40.793 40.800 -1.969 0.000 1.198 82 D HN 0.581 nan 8.370 nan 0.000 0.437 83 I N -1.822 118.513 120.570 -0.391 0.000 2.828 83 I HA 0.622 4.792 4.170 0.000 0.000 0.302 83 I C -0.877 175.248 176.117 0.014 0.000 1.101 83 I CA -1.052 60.175 61.300 -0.121 0.000 1.031 83 I CB 2.569 40.553 38.000 -0.026 0.000 1.231 83 I HN 0.165 nan 8.210 nan 0.000 0.427 84 M N 5.311 125.033 119.600 0.203 0.000 2.224 84 M HA 0.557 5.037 4.480 0.000 0.000 0.281 84 M C -2.197 174.223 176.300 0.200 0.000 1.025 84 M CA -0.535 54.919 55.300 0.257 0.000 0.954 84 M CB 2.080 34.944 32.600 0.440 0.000 1.639 84 M HN 0.538 nan 8.290 nan 0.000 0.461 85 V N 6.146 126.125 119.914 0.108 0.000 2.326 85 V HA 0.608 4.729 4.120 0.000 0.000 0.281 85 V C -0.476 175.754 176.094 0.227 0.000 1.015 85 V CA -0.596 61.752 62.300 0.079 0.000 0.823 85 V CB 1.158 32.935 31.823 -0.077 0.000 1.009 85 V HN 0.685 nan 8.190 nan 0.000 0.436 86 V N 3.611 123.708 119.914 0.304 0.000 2.962 86 V HA 0.784 4.904 4.120 0.000 0.000 0.313 86 V C -2.647 173.464 176.094 0.029 0.000 1.099 86 V CA -2.727 59.719 62.300 0.243 0.000 0.971 86 V CB 2.403 34.352 31.823 0.209 0.000 1.028 86 V HN 0.563 nan 8.190 nan 0.000 0.430 87 P HA 0.124 nan 4.420 nan 0.000 0.269 87 P C -1.028 176.059 177.300 -0.356 0.000 1.215 87 P CA 0.291 62.945 63.100 -0.745 0.000 0.780 87 P CB 0.774 32.079 31.700 -0.658 0.000 0.898 88 D N 1.943 122.088 120.400 -0.425 0.000 2.347 88 D HA 0.075 4.716 4.640 0.000 0.000 0.235 88 D C 1.096 177.299 176.300 -0.163 0.000 1.149 88 D CA -0.261 53.548 54.000 -0.319 0.000 0.850 88 D CB 0.483 40.968 40.800 -0.524 0.000 1.061 88 D HN 0.153 nan 8.370 nan 0.000 0.487 89 K N 2.369 122.729 120.400 -0.066 0.000 2.211 89 K HA -0.114 4.206 4.320 0.000 0.000 0.204 89 K C 1.385 177.965 176.600 -0.033 0.000 1.047 89 K CA 1.206 57.466 56.287 -0.045 0.000 0.935 89 K CB 0.137 32.628 32.500 -0.015 0.000 0.728 89 K HN 0.425 nan 8.250 nan 0.000 0.452 90 A N 0.507 123.318 122.820 -0.016 0.000 2.275 90 A HA 0.009 4.329 4.320 0.000 0.000 0.212 90 A C 0.655 178.229 177.584 -0.016 0.000 1.201 90 A CA -0.233 51.801 52.037 -0.005 0.000 0.843 90 A CB -0.199 18.814 19.000 0.023 0.000 0.873 90 A HN 0.391 nan 8.150 nan 0.000 0.492 91 C N 1.342 120.615 119.300 -0.044 0.000 2.566 91 C HA 0.343 4.803 4.460 0.000 0.000 0.393 91 C C 2.199 177.191 174.990 0.003 0.000 1.309 91 C CA -0.027 58.970 59.018 -0.036 0.000 1.801 91 C CB -0.607 27.088 27.740 -0.074 0.000 2.493 91 C HN 0.743 nan 8.230 nan 0.000 0.575 92 V N 5.647 125.578 119.914 0.028 0.000 2.720 92 V HA -0.093 4.028 4.120 0.000 0.000 0.256 92 V C 1.856 178.049 176.094 0.166 0.000 1.082 92 V CA 2.106 64.452 62.300 0.078 0.000 1.101 92 V CB -1.202 30.662 31.823 0.070 0.000 0.693 92 V HN 0.778 nan 8.190 nan 0.000 0.479 93 V N 3.162 123.163 119.914 0.146 0.000 2.261 93 V HA -0.199 3.922 4.120 0.000 0.000 0.246 93 V C 2.513 178.787 176.094 0.300 0.000 1.047 93 V CA 2.632 65.095 62.300 0.271 0.000 1.015 93 V CB -0.926 30.997 31.823 0.168 0.000 0.642 93 V HN 0.893 nan 8.190 nan 0.000 0.446 94 N N -1.730 117.040 118.700 0.117 0.000 2.227 94 N HA -0.016 4.725 4.740 0.000 0.000 0.196 94 N C 0.628 176.121 175.510 -0.029 0.000 1.142 94 N CA 0.784 53.858 53.050 0.041 0.000 0.887 94 N CB 0.640 39.122 38.487 -0.009 0.000 1.022 94 N HN 0.326 nan 8.380 nan 0.000 0.500 95 S N 0.012 115.694 115.700 -0.030 0.000 3.549 95 S HA -0.070 4.400 4.470 0.000 0.000 0.366 95 S C 1.141 175.699 174.600 -0.070 0.000 1.012 95 S CA 1.133 59.304 58.200 -0.048 0.000 1.141 95 S CB -1.849 61.319 63.200 -0.055 0.000 0.910 95 S HN 1.105 nan 8.310 nan 0.000 0.471 96 G N -1.101 107.636 108.800 -0.104 0.000 2.195 96 G HA2 -0.269 3.691 3.960 0.000 0.000 0.246 96 G HA3 -0.269 3.691 3.960 0.000 0.000 0.246 96 G C 0.018 174.834 174.900 -0.139 0.000 0.984 96 G CA 0.106 45.131 45.100 -0.126 0.000 0.633 96 G HN 0.662 nan 8.290 nan 0.000 0.525 97 L N 1.147 122.301 121.223 -0.115 0.000 2.417 97 L HA 0.619 4.959 4.340 0.000 0.000 0.268 97 L C 0.705 177.501 176.870 -0.123 0.000 1.158 97 L CA 0.129 54.917 54.840 -0.086 0.000 0.819 97 L CB 1.624 43.659 42.059 -0.040 0.000 1.112 97 L HN 0.235 nan 8.230 nan 0.000 0.458 98 S N 1.198 116.862 115.700 -0.060 0.000 2.594 98 S HA 0.460 4.931 4.470 0.000 0.000 0.296 98 S C -0.320 174.319 174.600 0.065 0.000 1.124 98 S CA -0.734 57.480 58.200 0.024 0.000 1.011 98 S CB 1.554 64.784 63.200 0.050 0.000 1.016 98 S HN 0.697 nan 8.310 nan 0.000 0.485 99 S N 3.076 118.832 115.700 0.093 0.000 2.624 99 S HA 0.238 4.708 4.470 0.000 0.000 0.263 99 S C 1.295 175.924 174.600 0.047 0.000 1.287 99 S CA 0.278 58.502 58.200 0.039 0.000 0.990 99 S CB 0.694 63.908 63.200 0.024 0.000 0.950 99 S HN 0.793 nan 8.310 nan 0.000 0.561 100 T N 0.257 114.819 114.554 0.014 0.000 2.929 100 T HA -0.053 4.298 4.350 0.000 0.000 0.271 100 T C 1.811 176.516 174.700 0.008 0.000 1.085 100 T CA 1.422 63.532 62.100 0.016 0.000 1.125 100 T CB -0.431 68.448 68.868 0.018 0.000 0.874 100 T HN 0.671 nan 8.240 nan 0.000 0.494 101 R N -0.267 120.242 120.500 0.015 0.000 2.055 101 R HA 0.149 4.489 4.340 0.000 0.000 0.226 101 R C 2.879 179.220 176.300 0.068 0.000 1.135 101 R CA 1.134 57.218 56.100 -0.027 0.000 0.959 101 R CB -0.700 29.561 30.300 -0.065 0.000 0.854 101 R HN 0.359 nan 8.270 nan 0.000 0.431 102 G N 0.203 109.081 108.800 0.130 0.000 2.448 102 G HA2 -0.162 3.799 3.960 0.000 0.000 0.218 102 G HA3 -0.162 3.799 3.960 0.000 0.000 0.218 102 G C 1.445 176.315 174.900 -0.051 0.000 1.135 102 G CA 0.637 45.762 45.100 0.041 0.000 0.784 102 G HN 0.439 nan 8.290 nan 0.000 0.543 103 G N 0.537 109.378 108.800 0.068 0.000 2.470 103 G HA2 -0.124 3.836 3.960 0.000 0.000 0.220 103 G HA3 -0.124 3.836 3.960 0.000 0.000 0.220 103 G C 1.620 176.477 174.900 -0.071 0.000 1.121 103 G CA 0.619 45.753 45.100 0.057 0.000 0.766 103 G HN 0.473 nan 8.290 nan 0.000 0.553 104 K N -0.426 119.878 120.400 -0.160 0.000 2.444 104 K HA 0.289 4.609 4.320 0.000 0.000 0.193 104 K C 2.242 178.597 176.600 -0.409 0.000 1.024 104 K CA -0.310 55.749 56.287 -0.380 0.000 1.077 104 K CB -0.018 32.076 32.500 -0.678 0.000 0.833 104 K HN 0.277 nan 8.250 nan 0.000 0.517 105 M N 0.598 120.045 119.600 -0.254 0.000 2.082 105 M HA -0.256 4.225 4.480 0.000 0.000 0.258 105 M C 2.381 178.560 176.300 -0.201 0.000 1.069 105 M CA 1.917 57.042 55.300 -0.292 0.000 1.102 105 M CB -0.426 31.846 32.600 -0.547 0.000 1.336 105 M HN 0.267 nan 8.290 nan 0.000 0.404 106 A N -0.610 122.116 122.820 -0.158 0.000 1.940 106 A HA -0.171 4.149 4.320 0.000 0.000 0.219 106 A C 2.214 179.771 177.584 -0.045 0.000 1.176 106 A CA 2.278 54.276 52.037 -0.065 0.000 0.631 106 A CB -0.800 18.174 19.000 -0.042 0.000 0.814 106 A HN 0.495 nan 8.150 nan 0.000 0.446 107 S N -1.470 114.149 115.700 -0.135 0.000 2.423 107 S HA -0.060 4.410 4.470 0.000 0.000 0.231 107 S C 1.265 175.920 174.600 0.090 0.000 1.014 107 S CA 0.911 59.049 58.200 -0.103 0.000 0.965 107 S CB -0.354 62.688 63.200 -0.263 0.000 0.785 107 S HN 0.667 nan 8.310 nan 0.000 0.495 108 Y N 0.638 120.908 120.300 -0.050 0.000 2.466 108 Y HA 0.373 4.923 4.550 0.000 0.000 0.272 108 Y C 0.736 176.684 175.900 0.080 0.000 1.169 108 Y CA -0.905 57.117 58.100 -0.129 0.000 1.285 108 Y CB -0.594 37.557 38.460 -0.515 0.000 1.078 108 Y HN 0.185 nan 8.280 nan 0.000 0.523 109 M N -0.540 119.223 119.600 0.270 0.000 2.240 109 M HA 0.006 4.487 4.480 0.000 0.000 0.333 109 M C -0.067 176.401 176.300 0.279 0.000 1.110 109 M CA -0.868 54.647 55.300 0.359 0.000 1.173 109 M CB -0.171 32.605 32.600 0.292 0.000 1.458 109 M HN 0.243 nan 8.290 nan 0.000 0.458 110 Y N 1.816 122.218 120.300 0.170 0.000 2.425 110 Y HA 0.328 4.878 4.550 0.000 0.000 0.331 110 Y C 0.170 176.113 175.900 0.071 0.000 1.157 110 Y CA -0.051 58.098 58.100 0.081 0.000 1.372 110 Y CB 0.447 38.901 38.460 -0.010 0.000 1.253 110 Y HN 0.711 nan 8.280 nan 0.000 0.536 111 T N 4.693 118.619 114.554 -1.048 0.000 2.923 111 T HA 0.354 4.704 4.350 0.000 0.000 0.311 111 T C -2.528 171.592 174.700 -0.966 0.000 1.183 111 T CA -1.896 59.701 62.100 -0.838 0.000 1.020 111 T CB 2.135 70.817 68.868 -0.310 0.000 1.165 111 T HN 0.348 nan 8.240 nan 0.000 0.482 112 P HA 0.004 nan 4.420 nan 0.000 0.226 112 P C 1.202 178.429 177.300 -0.121 0.000 1.153 112 P CA 1.088 64.062 63.100 -0.210 0.000 0.777 112 P CB -0.112 31.576 31.700 -0.021 0.000 0.794 113 T N -5.568 108.904 114.554 -0.137 0.000 3.003 113 T HA 0.367 4.718 4.350 0.000 0.000 0.261 113 T C 1.148 175.811 174.700 -0.061 0.000 1.003 113 T CA 0.142 62.199 62.100 -0.072 0.000 0.917 113 T CB -0.106 68.731 68.868 -0.051 0.000 1.084 113 T HN -0.004 nan 8.240 nan 0.000 0.522 114 G N 1.031 109.778 108.800 -0.089 0.000 2.574 114 G HA2 0.369 4.330 3.960 0.000 0.000 0.248 114 G HA3 0.369 4.330 3.960 0.000 0.000 0.248 114 G C 0.176 175.080 174.900 0.006 0.000 1.422 114 G CA -0.248 44.833 45.100 -0.033 0.000 1.051 114 G HN 0.085 nan 8.290 nan 0.000 0.560 115 D N -0.140 120.311 120.400 0.085 0.000 2.218 115 D HA -0.052 4.589 4.640 0.000 0.000 0.204 115 D C 2.250 178.615 176.300 0.109 0.000 0.976 115 D CA 1.298 55.395 54.000 0.161 0.000 0.853 115 D CB -0.264 40.745 40.800 0.347 0.000 0.939 115 D HN 0.367 nan 8.370 nan 0.000 0.481 116 G N 0.354 109.234 108.800 0.133 0.000 3.233 116 G HA2 -0.093 3.868 3.960 0.000 0.000 0.227 116 G HA3 -0.093 3.868 3.960 0.000 0.000 0.227 116 G C 1.308 176.301 174.900 0.155 0.000 1.175 116 G CA -0.215 45.028 45.100 0.238 0.000 0.781 116 G HN 0.179 nan 8.290 nan 0.000 0.542 117 K N 0.783 121.173 120.400 -0.016 0.000 2.089 117 K HA -0.157 4.163 4.320 0.000 0.000 0.210 117 K C 1.340 177.981 176.600 0.068 0.000 1.048 117 K CA 1.342 57.631 56.287 0.005 0.000 0.926 117 K CB 0.105 32.573 32.500 -0.053 0.000 0.714 117 K HN 0.155 nan 8.250 nan 0.000 0.448 118 E N 1.057 121.216 120.200 -0.068 0.000 2.445 118 E HA 0.013 4.364 4.350 0.000 0.000 0.189 118 E C -0.129 176.542 176.600 0.119 0.000 1.069 118 E CA 0.006 56.392 56.400 -0.024 0.000 0.871 118 E CB 0.125 29.720 29.700 -0.176 0.000 0.991 118 E HN 0.171 nan 8.360 nan 0.000 0.481 119 R N 0.822 121.386 120.500 0.106 0.000 2.640 119 R HA 0.067 4.407 4.340 0.000 0.000 0.270 119 R C 0.531 176.725 176.300 -0.178 0.000 1.024 119 R CA 0.046 56.026 56.100 -0.200 0.000 1.085 119 R CB 0.272 30.444 30.300 -0.213 0.000 0.963 119 R HN 0.133 nan 8.270 nan 0.000 0.426 120 L N 2.269 123.353 121.223 -0.232 0.000 2.455 120 L HA -0.029 4.311 4.340 0.000 0.000 0.272 120 L C 1.311 178.062 176.870 -0.198 0.000 1.174 120 L CA 0.503 55.231 54.840 -0.187 0.000 0.869 120 L CB 0.642 42.586 42.059 -0.191 0.000 1.130 120 L HN 0.754 nan 8.230 nan 0.000 0.474 121 S N 0.481 116.086 115.700 -0.158 0.000 2.847 121 S HA 0.602 5.073 4.470 0.000 0.000 0.254 121 S C -0.030 174.530 174.600 -0.067 0.000 1.039 121 S CA 0.009 58.124 58.200 -0.143 0.000 1.113 121 S CB 0.848 63.935 63.200 -0.189 0.000 1.092 121 S HN 0.701 nan 8.310 nan 0.000 0.620 122 A N 1.192 123.951 122.820 -0.102 0.000 2.612 122 A HA 0.819 5.139 4.320 0.000 0.000 0.293 122 A C -3.426 173.994 177.584 -0.274 0.000 1.075 122 A CA -1.544 50.413 52.037 -0.134 0.000 0.680 122 A CB 0.378 19.325 19.000 -0.087 0.000 1.279 122 A HN 0.119 nan 8.150 nan 0.000 0.411 123 P HA 0.342 nan 4.420 nan 0.000 0.268 123 P C -0.857 176.321 177.300 -0.203 0.000 1.205 123 P CA 0.037 62.835 63.100 -0.503 0.000 0.771 123 P CB 0.415 31.709 31.700 -0.676 0.000 0.858 124 R N 2.340 122.781 120.500 -0.099 0.000 2.599 124 R HA 0.631 4.971 4.340 0.000 0.000 0.295 124 R C -1.006 175.503 176.300 0.349 0.000 0.963 124 R CA -0.992 55.174 56.100 0.110 0.000 0.883 124 R CB 1.705 31.985 30.300 -0.034 0.000 1.171 124 R HN 0.397 nan 8.270 nan 0.000 0.450 125 L N 2.294 123.764 121.223 0.411 0.000 2.385 125 L HA 0.401 4.742 4.340 0.000 0.000 0.273 125 L C -1.407 175.473 176.870 0.016 0.000 0.990 125 L CA -0.785 54.213 54.840 0.265 0.000 0.821 125 L CB 1.638 43.794 42.059 0.162 0.000 1.279 125 L HN 0.541 nan 8.230 nan 0.000 0.412 126 Y N 4.634 124.625 120.300 -0.516 0.000 2.595 126 Y HA 0.571 5.121 4.550 0.001 0.000 0.347 126 Y C 0.473 176.189 175.900 -0.307 0.000 1.025 126 Y CA -0.520 57.057 58.100 -0.871 0.000 1.295 126 Y CB 0.934 38.624 38.460 -1.284 0.000 1.147 126 Y HN 0.736 nan 8.280 nan 0.000 0.515 127 A N 5.454 128.028 122.820 -0.410 0.000 3.037 127 A HA 0.494 4.815 4.320 0.000 0.000 0.272 127 A C 1.462 178.887 177.584 -0.264 0.000 1.723 127 A CA 0.550 52.459 52.037 -0.214 0.000 1.413 127 A CB -1.571 17.335 19.000 -0.156 0.000 1.112 127 A HN 1.625 nan 8.150 nan 0.000 0.606 128 A N 1.554 124.291 122.820 -0.139 0.000 2.617 128 A HA -0.333 3.987 4.320 0.000 0.000 0.236 128 A C 0.959 178.513 177.584 -0.050 0.000 0.514 128 A CA 2.418 54.435 52.037 -0.034 0.000 1.126 128 A CB -1.850 17.126 19.000 -0.039 0.000 1.393 128 A HN 1.440 nan 8.150 nan 0.000 0.693 129 D N -1.281 118.908 120.400 -0.350 0.000 2.615 129 D HA 0.407 5.047 4.640 0.000 0.000 0.274 129 D C -0.065 175.928 176.300 -0.511 0.000 1.512 129 D CA 0.829 54.680 54.000 -0.248 0.000 0.803 129 D CB -0.555 40.194 40.800 -0.085 0.000 1.182 129 D HN 1.146 nan 8.370 nan 0.000 0.473 130 E N -1.466 118.050 120.200 -1.140 0.000 2.401 130 E HA 0.319 4.669 4.350 0.000 0.000 0.283 130 E C -1.612 174.457 176.600 -0.884 0.000 1.053 130 E CA -1.062 54.870 56.400 -0.781 0.000 0.842 130 E CB 0.220 29.748 29.700 -0.286 0.000 1.222 130 E HN -0.001 nan 8.360 nan 0.000 0.429 131 W N 2.544 123.681 121.300 -0.272 0.000 2.311 131 W HA 0.472 5.132 4.660 0.000 0.000 0.310 131 W C -0.044 176.433 176.519 -0.070 0.000 1.274 131 W CA -0.117 57.188 57.345 -0.067 0.000 1.215 131 W CB 1.598 31.107 29.460 0.081 0.000 1.227 131 W HN 0.524 nan 8.180 nan 0.000 0.523 132 V N 0.096 120.149 119.914 0.231 0.000 3.159 132 V HA 0.518 4.639 4.120 0.000 0.000 0.308 132 V C -0.532 175.646 176.094 0.141 0.000 1.190 132 V CA -1.288 61.089 62.300 0.127 0.000 1.037 132 V CB 1.723 33.565 31.823 0.032 0.000 1.060 132 V HN 0.271 nan 8.190 nan 0.000 0.437 133 D N 0.982 121.426 120.400 0.073 0.000 2.344 133 D HA 0.658 5.298 4.640 0.000 0.000 0.244 133 D C -0.031 176.291 176.300 0.037 0.000 1.134 133 D CA 0.385 54.408 54.000 0.038 0.000 0.930 133 D CB 1.715 42.520 40.800 0.008 0.000 1.175 133 D HN 0.937 nan 8.370 nan 0.000 0.437 134 T N -1.245 113.318 114.554 0.014 0.000 2.816 134 T HA 0.479 4.829 4.350 0.000 0.000 0.299 134 T C -0.705 173.996 174.700 0.002 0.000 1.230 134 T CA -0.667 61.462 62.100 0.049 0.000 1.007 134 T CB 1.116 70.087 68.868 0.172 0.000 1.289 134 T HN 0.405 nan 8.240 nan 0.000 0.508 135 T N -0.403 114.187 114.554 0.061 0.000 2.849 135 T HA 0.289 4.640 4.350 0.000 0.000 0.284 135 T C 0.954 175.697 174.700 0.070 0.000 1.004 135 T CA -0.374 61.771 62.100 0.075 0.000 1.021 135 T CB 0.709 69.646 68.868 0.114 0.000 1.013 135 T HN 0.752 nan 8.240 nan 0.000 0.527 136 W N 0.386 121.703 121.300 0.027 0.000 2.358 136 W HA 0.000 4.661 4.660 0.000 0.000 0.303 136 W C 2.048 178.575 176.519 0.014 0.000 1.208 136 W CA 0.969 58.317 57.345 0.006 0.000 1.274 136 W CB -0.174 29.281 29.460 -0.008 0.000 1.138 136 W HN 0.746 nan 8.180 nan 0.000 0.515 137 D N -1.871 118.689 120.400 0.267 0.000 2.144 137 D HA -0.238 4.402 4.640 0.000 0.000 0.199 137 D C 1.881 178.273 176.300 0.153 0.000 0.984 137 D CA 1.552 55.656 54.000 0.173 0.000 0.834 137 D CB -0.809 40.066 40.800 0.125 0.000 0.955 137 D HN 0.348 nan 8.370 nan 0.000 0.465 138 H N 0.344 119.447 119.070 0.055 0.000 2.357 138 H HA 0.003 4.560 4.556 0.001 0.000 0.301 138 H C 1.892 177.237 175.328 0.028 0.000 1.082 138 H CA 1.343 57.406 56.048 0.026 0.000 1.342 138 H CB 0.276 30.044 29.762 0.010 0.000 1.389 138 H HN 0.062 nan 8.280 nan 0.000 0.511 139 A N 1.436 124.181 122.820 -0.126 0.000 1.908 139 A HA -0.182 4.138 4.320 0.000 0.000 0.218 139 A C 2.475 180.020 177.584 -0.065 0.000 1.181 139 A CA 1.717 53.645 52.037 -0.181 0.000 0.627 139 A CB -0.457 18.405 19.000 -0.229 0.000 0.818 139 A HN 0.377 nan 8.150 nan 0.000 0.445 140 M N -0.664 118.956 119.600 0.033 0.000 2.200 140 M HA -0.030 4.450 4.480 0.000 0.000 0.265 140 M C 2.516 178.831 176.300 0.025 0.000 1.066 140 M CA 1.473 56.825 55.300 0.087 0.000 1.127 140 M CB -1.513 31.160 32.600 0.121 0.000 1.379 140 M HN 0.478 nan 8.290 nan 0.000 0.420 141 A N 0.189 122.997 122.820 -0.021 0.000 1.933 141 A HA -0.144 4.177 4.320 0.000 0.000 0.218 141 A C 2.228 179.747 177.584 -0.109 0.000 1.175 141 A CA 1.302 53.308 52.037 -0.052 0.000 0.628 141 A CB -0.785 18.215 19.000 0.000 0.000 0.814 141 A HN 0.406 nan 8.150 nan 0.000 0.444 142 L N -2.010 119.108 121.223 -0.175 0.000 2.023 142 L HA -0.047 4.293 4.340 0.000 0.000 0.205 142 L C 2.285 179.043 176.870 -0.187 0.000 1.073 142 L CA 2.173 56.880 54.840 -0.222 0.000 0.745 142 L CB -0.895 40.971 42.059 -0.322 0.000 0.900 142 L HN 0.484 nan 8.230 nan 0.000 0.435 143 Y N 0.234 120.420 120.300 -0.191 0.000 2.089 143 Y HA -0.202 4.348 4.550 0.000 0.000 0.282 143 Y C 2.427 178.255 175.900 -0.121 0.000 1.139 143 Y CA 2.082 60.111 58.100 -0.120 0.000 1.123 143 Y CB -0.654 37.791 38.460 -0.025 0.000 0.980 143 Y HN 0.249 nan 8.280 nan 0.000 0.493 144 A N -0.047 122.755 122.820 -0.030 0.000 1.933 144 A HA -0.093 4.227 4.320 0.000 0.000 0.218 144 A C 2.452 179.896 177.584 -0.235 0.000 1.175 144 A CA 1.633 53.583 52.037 -0.145 0.000 0.628 144 A CB -1.702 17.235 19.000 -0.106 0.000 0.814 144 A HN 0.617 nan 8.150 nan 0.000 0.444 145 G N -0.145 108.527 108.800 -0.213 0.000 2.440 145 G HA2 -0.178 3.782 3.960 0.000 0.000 0.218 145 G HA3 -0.178 3.782 3.960 0.000 0.000 0.218 145 G C 1.540 176.287 174.900 -0.254 0.000 1.154 145 G CA 1.094 46.055 45.100 -0.233 0.000 0.767 145 G HN 0.444 nan 8.290 nan 0.000 0.552 146 L N -0.060 120.985 121.223 -0.296 0.000 2.109 146 L HA 0.100 4.440 4.340 0.000 0.000 0.207 146 L C 2.812 179.552 176.870 -0.217 0.000 1.086 146 L CA 0.406 55.078 54.840 -0.279 0.000 0.760 146 L CB -0.233 41.572 42.059 -0.423 0.000 0.910 146 L HN 0.191 nan 8.230 nan 0.000 0.437 147 I N -0.078 120.329 120.570 -0.272 0.000 2.202 147 I HA -0.309 3.861 4.170 0.000 0.000 0.242 147 I C 2.685 178.750 176.117 -0.087 0.000 1.091 147 I CA 1.322 62.517 61.300 -0.175 0.000 1.368 147 I CB -0.250 37.626 38.000 -0.207 0.000 1.058 147 I HN 0.241 nan 8.210 nan 0.000 0.410 148 K N 1.540 121.840 120.400 -0.166 0.000 2.057 148 K HA -0.252 4.068 4.320 0.000 0.000 0.207 148 K C 2.248 178.771 176.600 -0.128 0.000 1.049 148 K CA 1.621 57.803 56.287 -0.175 0.000 0.931 148 K CB -0.065 32.157 32.500 -0.462 0.000 0.714 148 K HN 0.081 nan 8.250 nan 0.000 0.440 149 K N -0.232 120.050 120.400 -0.197 0.000 2.097 149 K HA -0.105 4.215 4.320 0.000 0.000 0.206 149 K C 1.726 178.196 176.600 -0.218 0.000 1.049 149 K CA 1.838 57.965 56.287 -0.267 0.000 0.933 149 K CB 0.015 32.282 32.500 -0.390 0.000 0.717 149 K HN 0.187 nan 8.250 nan 0.000 0.442 150 T N 1.528 116.043 114.554 -0.065 0.000 2.857 150 T HA -0.040 4.311 4.350 0.000 0.000 0.266 150 T C 1.757 176.506 174.700 0.082 0.000 1.048 150 T CA 0.829 62.982 62.100 0.089 0.000 1.139 150 T CB -0.017 68.929 68.868 0.131 0.000 0.874 150 T HN 0.137 nan 8.240 nan 0.000 0.455 151 L N 0.875 122.147 121.223 0.083 0.000 2.027 151 L HA -0.111 4.229 4.340 0.000 0.000 0.206 151 L C 2.470 179.398 176.870 0.097 0.000 1.074 151 L CA 1.213 56.127 54.840 0.122 0.000 0.745 151 L CB -0.542 41.640 42.059 0.206 0.000 0.898 151 L HN 0.152 nan 8.230 nan 0.000 0.433 152 D N -0.096 120.353 120.400 0.082 0.000 2.117 152 D HA -0.155 4.486 4.640 0.000 0.000 0.197 152 D C 2.197 178.506 176.300 0.014 0.000 0.987 152 D CA 1.170 55.201 54.000 0.051 0.000 0.829 152 D CB 0.043 40.848 40.800 0.009 0.000 0.961 152 D HN 0.155 nan 8.370 nan 0.000 0.460 153 K N 0.023 120.417 120.400 -0.010 0.000 2.244 153 K HA 0.077 4.397 4.320 0.000 0.000 0.200 153 K C 1.017 177.661 176.600 0.074 0.000 1.052 153 K CA 0.642 56.937 56.287 0.014 0.000 0.980 153 K CB 0.430 32.911 32.500 -0.032 0.000 0.838 153 K HN 0.186 nan 8.250 nan 0.000 0.481 154 D N -0.304 120.156 120.400 0.101 0.000 2.454 154 D HA 0.124 4.765 4.640 0.000 0.000 0.219 154 D C 0.855 177.208 176.300 0.089 0.000 1.081 154 D CA 0.632 54.698 54.000 0.110 0.000 0.867 154 D CB 1.214 42.104 40.800 0.150 0.000 1.054 154 D HN 0.197 nan 8.370 nan 0.000 0.500 155 G N 1.738 110.588 108.800 0.084 0.000 2.757 155 G HA2 -0.202 3.758 3.960 0.000 0.000 0.638 155 G HA3 -0.202 3.758 3.960 0.000 0.000 0.638 155 G C -2.239 172.714 174.900 0.087 0.000 1.344 155 G CA -0.545 44.598 45.100 0.071 0.000 0.855 155 G HN -0.103 nan 8.290 nan 0.000 0.537 156 P HA -0.120 nan 4.420 nan 0.000 0.218 156 P C 1.901 179.251 177.300 0.082 0.000 1.146 156 P CA 2.000 65.149 63.100 0.082 0.000 0.813 156 P CB -0.092 31.633 31.700 0.042 0.000 0.778 157 Q N -0.761 119.083 119.800 0.072 0.000 2.364 157 Q HA -0.068 4.273 4.340 0.000 0.000 0.209 157 Q C 1.779 177.907 176.000 0.212 0.000 0.977 157 Q CA 1.741 57.595 55.803 0.085 0.000 0.885 157 Q CB -1.272 27.515 28.738 0.081 0.000 0.941 157 Q HN 0.187 nan 8.270 nan 0.000 0.464 158 G N 0.634 109.559 108.800 0.209 0.000 2.939 158 G HA2 0.202 4.163 3.960 0.000 0.000 0.210 158 G HA3 0.202 4.163 3.960 0.000 0.000 0.210 158 G C 0.080 175.157 174.900 0.295 0.000 1.160 158 G CA -0.134 45.119 45.100 0.255 0.000 0.770 158 G HN 0.165 nan 8.290 nan 0.000 0.543 159 V N 1.421 121.494 119.914 0.264 0.000 2.328 159 V HA 0.492 4.612 4.120 0.000 0.000 0.278 159 V C -0.829 175.409 176.094 0.239 0.000 1.021 159 V CA -0.814 61.603 62.300 0.194 0.000 0.838 159 V CB 0.653 32.560 31.823 0.140 0.000 0.999 159 V HN 0.141 nan 8.190 nan 0.000 0.447 160 F N 4.296 124.164 119.950 -0.137 0.000 2.458 160 F HA 0.753 5.281 4.527 0.000 0.000 0.330 160 F C -0.260 175.360 175.800 -0.299 0.000 1.082 160 F CA -0.598 57.347 58.000 -0.093 0.000 0.995 160 F CB 1.890 40.831 39.000 -0.098 0.000 1.170 160 F HN 0.311 nan 8.300 nan 0.000 0.478 161 F N 0.732 120.764 119.950 0.137 0.000 2.601 161 F HA 0.416 4.944 4.527 0.000 0.000 0.309 161 F C -0.304 175.520 175.800 0.041 0.000 1.089 161 F CA -0.852 57.198 58.000 0.083 0.000 0.940 161 F CB 2.275 41.352 39.000 0.128 0.000 1.273 161 F HN 0.179 nan 8.300 nan 0.000 0.450 162 S N 2.235 118.032 115.700 0.161 0.000 2.707 162 S HA 0.665 5.135 4.470 0.000 0.000 0.312 162 S C -1.331 173.467 174.600 0.332 0.000 1.116 162 S CA -0.333 57.989 58.200 0.203 0.000 1.078 162 S CB 0.750 64.028 63.200 0.129 0.000 0.997 162 S HN 0.798 nan 8.310 nan 0.000 0.477 163 C N 6.225 125.697 119.300 0.286 0.000 2.802 163 C HA 0.804 5.265 4.460 0.000 0.000 0.307 163 C C -0.302 174.746 174.990 0.097 0.000 1.222 163 C CA -1.403 57.694 59.018 0.132 0.000 1.580 163 C CB 0.211 27.808 27.740 -0.238 0.000 2.119 163 C HN 0.913 nan 8.230 nan 0.000 0.479 164 F N 3.083 123.114 119.950 0.134 0.000 2.589 164 F HA 0.366 4.893 4.527 0.000 0.000 0.352 164 F C 0.947 176.768 175.800 0.035 0.000 1.168 164 F CA 0.095 58.073 58.000 -0.037 0.000 1.353 164 F CB 0.403 39.065 39.000 -0.564 0.000 1.116 164 F HN 0.649 nan 8.300 nan 0.000 0.608 165 D N -0.592 120.009 120.400 0.335 0.000 2.540 165 D HA 0.062 4.702 4.640 0.000 0.000 0.229 165 D C 0.009 176.561 176.300 0.420 0.000 1.250 165 D CA -0.076 54.136 54.000 0.352 0.000 0.817 165 D CB -0.989 40.075 40.800 0.439 0.000 1.060 165 D HN 0.820 nan 8.370 nan 0.000 0.508 166 H N -1.083 118.163 119.070 0.293 0.000 2.645 166 H HA 0.762 5.318 4.556 0.000 0.000 0.308 166 H C 0.796 176.156 175.328 0.054 0.000 1.495 166 H CA -0.411 55.723 56.048 0.143 0.000 1.518 166 H CB 0.452 30.175 29.762 -0.066 0.000 1.752 166 H HN -0.024 nan 8.280 nan 0.000 0.797 167 G N -2.378 106.595 108.800 0.287 0.000 2.671 167 G HA2 0.508 4.469 3.960 0.000 0.000 0.275 167 G HA3 0.508 4.469 3.960 0.000 0.000 0.275 167 G C 0.249 175.253 174.900 0.173 0.000 1.368 167 G CA -0.617 44.533 45.100 0.083 0.000 1.044 167 G HN 1.121 nan 8.290 nan 0.000 0.543 168 G N -1.043 107.777 108.800 0.034 0.000 2.641 168 G HA2 0.297 4.257 3.960 0.000 0.000 0.254 168 G HA3 0.297 4.257 3.960 0.000 0.000 0.254 168 G C 0.628 175.504 174.900 -0.040 0.000 1.315 168 G CA 0.313 45.419 45.100 0.011 0.000 0.907 168 G HN 2.054 nan 8.290 nan 0.000 0.572 169 A N -0.301 122.467 122.820 -0.087 0.000 2.546 169 A HA 0.608 4.928 4.320 0.000 0.000 0.243 169 A C 2.036 179.631 177.584 0.019 0.000 1.063 169 A CA 2.071 54.030 52.037 -0.129 0.000 0.757 169 A CB -0.468 18.406 19.000 -0.210 0.000 0.991 169 A HN 2.921 nan 8.150 nan 0.000 0.503 170 G N 1.062 109.767 108.800 -0.159 0.000 2.147 170 G HA2 0.211 4.171 3.960 0.000 0.000 0.244 170 G HA3 0.211 4.171 3.960 0.000 0.000 0.244 170 G C 0.882 175.221 174.900 -0.934 0.000 1.005 170 G CA 0.846 45.724 45.100 -0.370 0.000 0.713 170 G HN 2.420 nan 8.290 nan 0.000 0.515 171 G N -2.106 106.280 108.800 -0.689 0.000 2.677 171 G HA2 0.929 4.889 3.960 0.000 0.000 0.283 171 G HA3 0.929 4.889 3.960 0.000 0.000 0.283 171 G C 0.409 175.144 174.900 -0.276 0.000 1.221 171 G CA 1.028 45.725 45.100 -0.672 0.000 0.851 171 G HN 2.393 nan 8.290 nan 0.000 0.504 172 G N -2.177 106.530 108.800 -0.154 0.000 2.570 172 G HA2 0.194 4.154 3.960 0.000 0.000 0.686 172 G HA3 0.194 4.154 3.960 0.000 0.000 0.686 172 G C 0.315 175.175 174.900 -0.066 0.000 1.257 172 G CA 0.115 45.106 45.100 -0.183 0.000 0.846 172 G HN 0.977 nan 8.290 nan 0.000 0.627 173 F N 0.493 120.526 119.950 0.138 0.000 2.171 173 F HA -0.015 4.512 4.527 0.000 0.000 0.300 173 F C 2.632 178.575 175.800 0.237 0.000 1.090 173 F CA 2.023 60.152 58.000 0.215 0.000 1.293 173 F CB -0.035 39.095 39.000 0.215 0.000 1.013 173 F HN 0.609 nan 8.300 nan 0.000 0.486 174 E N 0.238 120.657 120.200 0.366 0.000 2.047 174 E HA -0.156 4.195 4.350 0.000 0.000 0.191 174 E C 1.869 178.611 176.600 0.236 0.000 0.987 174 E CA 1.223 57.783 56.400 0.267 0.000 0.799 174 E CB -0.344 29.464 29.700 0.180 0.000 0.752 174 E HN 0.233 nan 8.360 nan 0.000 0.449 175 N N -0.169 118.641 118.700 0.184 0.000 2.216 175 N HA -0.097 4.644 4.740 0.000 0.000 0.183 175 N C 1.918 177.579 175.510 0.253 0.000 1.017 175 N CA 1.817 54.989 53.050 0.203 0.000 0.861 175 N CB -0.623 37.905 38.487 0.068 0.000 0.986 175 N HN 0.367 nan 8.380 nan 0.000 0.428 176 T N -2.039 112.666 114.554 0.252 0.000 2.867 176 T HA -0.131 4.220 4.350 0.000 0.000 0.268 176 T C 1.719 176.416 174.700 -0.004 0.000 1.057 176 T CA 0.499 62.632 62.100 0.054 0.000 1.136 176 T CB -0.558 68.311 68.868 0.003 0.000 0.874 176 T HN 0.418 nan 8.240 nan 0.000 0.466 177 W N 2.289 123.574 121.300 -0.025 0.000 2.379 177 W HA -0.021 4.639 4.660 0.000 0.000 0.307 177 W C 2.314 178.872 176.519 0.064 0.000 1.200 177 W CA 0.942 58.281 57.345 -0.009 0.000 1.297 177 W CB -0.651 28.825 29.460 0.026 0.000 1.140 177 W HN 0.399 nan 8.180 nan 0.000 0.507 178 G N 0.717 109.564 108.800 0.078 0.000 2.459 178 G HA2 -0.388 3.573 3.960 0.000 0.000 0.217 178 G HA3 -0.388 3.573 3.960 0.000 0.000 0.217 178 G C 1.503 176.359 174.900 -0.073 0.000 1.183 178 G CA 2.599 47.822 45.100 0.204 0.000 0.776 178 G HN 0.381 nan 8.290 nan 0.000 0.552 179 T N -1.061 113.291 114.554 -0.337 0.000 2.821 179 T HA 0.088 4.439 4.350 0.000 0.000 0.267 179 T C 2.444 176.718 174.700 -0.711 0.000 1.046 179 T CA 1.598 63.274 62.100 -0.707 0.000 1.139 179 T CB -0.622 67.534 68.868 -1.187 0.000 0.871 179 T HN 0.273 nan 8.240 nan 0.000 0.454 180 G N 1.482 109.890 108.800 -0.654 0.000 2.404 180 G HA2 -0.169 3.792 3.960 0.000 0.000 0.215 180 G HA3 -0.169 3.792 3.960 0.000 0.000 0.215 180 G C 1.579 176.085 174.900 -0.656 0.000 1.174 180 G CA 0.893 45.530 45.100 -0.772 0.000 0.780 180 G HN 0.575 nan 8.290 nan 0.000 0.537 181 K N -0.344 119.645 120.400 -0.684 0.000 2.032 181 K HA -0.061 4.259 4.320 0.000 0.000 0.209 181 K C 2.436 178.952 176.600 -0.140 0.000 1.048 181 K CA 1.299 57.231 56.287 -0.592 0.000 0.927 181 K CB -0.293 31.624 32.500 -0.971 0.000 0.712 181 K HN 0.240 nan 8.250 nan 0.000 0.441 182 L N 1.125 122.335 121.223 -0.023 0.000 2.012 182 L HA -0.164 4.176 4.340 0.000 0.000 0.210 182 L C 2.142 178.899 176.870 -0.189 0.000 1.073 182 L CA 1.810 56.618 54.840 -0.052 0.000 0.748 182 L CB -0.293 41.697 42.059 -0.114 0.000 0.891 182 L HN 0.281 nan 8.230 nan 0.000 0.431 183 M N -2.033 117.290 119.600 -0.461 0.000 2.200 183 M HA -0.120 4.360 4.480 0.000 0.000 0.265 183 M C 2.131 178.364 176.300 -0.112 0.000 1.066 183 M CA 1.806 56.821 55.300 -0.476 0.000 1.127 183 M CB -0.331 31.700 32.600 -0.948 0.000 1.379 183 M HN 0.223 nan 8.290 nan 0.000 0.420 184 F N -1.113 118.694 119.950 -0.238 0.000 2.317 184 F HA 0.024 4.551 4.527 0.001 0.000 0.290 184 F C 2.475 178.160 175.800 -0.191 0.000 1.075 184 F CA 0.095 57.964 58.000 -0.218 0.000 1.380 184 F CB -0.053 38.820 39.000 -0.212 0.000 1.093 184 F HN 0.012 nan 8.300 nan 0.000 0.524 185 S N 0.045 115.747 115.700 0.003 0.000 2.439 185 S HA 0.098 4.568 4.470 0.000 0.000 0.224 185 S C 1.875 176.375 174.600 -0.167 0.000 1.029 185 S CA 0.726 58.882 58.200 -0.075 0.000 0.946 185 S CB -0.007 63.132 63.200 -0.102 0.000 0.797 185 S HN 0.308 nan 8.310 nan 0.000 0.504 186 A N 1.461 124.157 122.820 -0.207 0.000 1.919 186 A HA 0.341 4.662 4.320 0.000 0.000 0.211 186 A C 1.924 179.163 177.584 -0.576 0.000 1.310 186 A CA 0.295 52.000 52.037 -0.554 0.000 0.651 186 A CB -0.667 18.052 19.000 -0.468 0.000 0.996 186 A HN 0.348 nan 8.150 nan 0.000 0.479 187 I N -0.736 119.743 120.570 -0.151 0.000 2.315 187 I HA -0.209 3.961 4.170 0.000 0.000 0.248 187 I C 0.422 176.556 176.117 0.028 0.000 1.117 187 I CA 1.167 62.523 61.300 0.094 0.000 1.404 187 I CB -0.342 37.813 38.000 0.259 0.000 1.071 187 I HN 0.470 nan 8.210 nan 0.000 0.419 188 Q N 0.655 120.451 119.800 -0.006 0.000 2.481 188 Q HA -0.196 4.144 4.340 0.000 0.000 0.283 188 Q C 0.250 176.244 176.000 -0.009 0.000 1.292 188 Q CA 0.504 56.293 55.803 -0.023 0.000 0.819 188 Q CB -2.135 26.557 28.738 -0.077 0.000 1.202 188 Q HN 0.478 nan 8.270 nan 0.000 0.446 189 T N 0.227 114.822 114.554 0.067 0.000 2.837 189 T HA 0.460 4.810 4.350 0.000 0.000 0.285 189 T C -1.786 172.911 174.700 -0.006 0.000 0.984 189 T CA -1.817 60.316 62.100 0.055 0.000 1.049 189 T CB 1.177 70.145 68.868 0.167 0.000 0.947 189 T HN 0.044 nan 8.240 nan 0.000 0.472 190 P HA 0.214 nan 4.420 nan 0.000 0.267 190 P C 0.194 177.528 177.300 0.057 0.000 1.289 190 P CA -0.145 62.825 63.100 -0.218 0.000 0.866 190 P CB 0.319 31.834 31.700 -0.308 0.000 1.309 191 M N 0.947 120.503 119.600 -0.074 0.000 3.654 191 M HA 0.227 4.707 4.480 0.000 0.000 0.212 191 M C -0.349 175.888 176.300 -0.106 0.000 1.354 191 M CA -0.411 54.678 55.300 -0.351 0.000 1.564 191 M CB -0.406 31.539 32.600 -1.092 0.000 1.056 191 M HN -0.278 nan 8.290 nan 0.000 0.608 192 V N 2.059 122.086 119.914 0.189 0.000 2.588 192 V HA 0.600 4.720 4.120 0.000 0.000 0.304 192 V C 0.096 176.419 176.094 0.381 0.000 1.042 192 V CA -0.928 61.571 62.300 0.332 0.000 0.877 192 V CB 2.501 34.576 31.823 0.419 0.000 0.996 192 V HN 0.709 nan 8.190 nan 0.000 0.425 193 R N 4.457 125.162 120.500 0.342 0.000 2.943 193 R HA 0.871 5.212 4.340 0.000 0.000 0.246 193 R C -1.075 175.415 176.300 0.317 0.000 1.201 193 R CA -0.900 55.384 56.100 0.307 0.000 1.056 193 R CB 1.658 32.114 30.300 0.259 0.000 1.243 193 R HN 0.478 nan 8.270 nan 0.000 0.498 194 I N 0.967 121.669 120.570 0.219 0.000 2.863 194 I HA 0.158 4.328 4.170 0.000 0.000 0.311 194 I C 1.631 177.881 176.117 0.222 0.000 1.026 194 I CA -1.203 60.216 61.300 0.199 0.000 1.077 194 I CB 1.720 39.739 38.000 0.033 0.000 1.262 194 I HN 0.866 nan 8.210 nan 0.000 0.461 195 H N 2.782 122.039 119.070 0.312 0.000 2.422 195 H HA -0.147 4.409 4.556 0.000 0.000 0.298 195 H C 0.791 176.340 175.328 0.367 0.000 1.098 195 H CA 2.022 58.296 56.048 0.377 0.000 1.315 195 H CB -0.547 29.474 29.762 0.433 0.000 1.382 195 H HN 0.723 nan 8.280 nan 0.000 0.523 196 N N 0.645 119.191 118.700 -0.256 0.000 2.184 196 N HA 0.022 4.762 4.740 0.000 0.000 0.206 196 N C -0.063 175.504 175.510 0.095 0.000 1.151 196 N CA -0.438 52.627 53.050 0.026 0.000 0.878 196 N CB 0.606 39.169 38.487 0.126 0.000 1.014 196 N HN 0.546 nan 8.380 nan 0.000 0.512 197 R N -0.823 119.728 120.500 0.084 0.000 2.566 197 R HA 0.401 4.741 4.340 0.000 0.000 0.271 197 R C -2.870 173.465 176.300 0.059 0.000 1.071 197 R CA -1.338 54.792 56.100 0.050 0.000 0.915 197 R CB 1.241 31.622 30.300 0.134 0.000 1.228 197 R HN -0.235 nan 8.270 nan 0.000 0.449 198 P HA 0.073 nan 4.420 nan 0.000 0.263 198 P C -0.623 176.722 177.300 0.075 0.000 1.386 198 P CA 0.479 63.626 63.100 0.079 0.000 0.797 198 P CB 0.317 32.072 31.700 0.091 0.000 1.381 199 A N -0.681 122.160 122.820 0.036 0.000 2.581 199 A HA 0.460 4.780 4.320 0.000 0.000 0.290 199 A C -1.821 175.783 177.584 0.032 0.000 1.119 199 A CA -0.699 51.367 52.037 0.049 0.000 0.670 199 A CB 0.348 19.330 19.000 -0.030 0.000 1.280 199 A HN -0.037 nan 8.150 nan 0.000 0.425 200 Y N 2.599 122.821 120.300 -0.131 0.000 2.650 200 Y HA 0.408 4.958 4.550 0.000 0.000 0.343 200 Y C 0.343 176.124 175.900 -0.198 0.000 1.078 200 Y CA 0.200 58.171 58.100 -0.215 0.000 1.356 200 Y CB 0.022 38.117 38.460 -0.609 0.000 1.204 200 Y HN 0.883 nan 8.280 nan 0.000 0.508 201 N N 0.878 119.420 118.700 -0.263 0.000 3.387 201 N HA 0.515 5.256 4.740 0.000 0.000 0.322 201 N C -1.521 173.904 175.510 -0.141 0.000 1.588 201 N CA -1.007 52.037 53.050 -0.011 0.000 0.778 201 N CB 1.465 40.033 38.487 0.135 0.000 1.883 201 N HN 0.180 nan 8.380 nan 0.000 0.628 202 S N -1.934 113.627 115.700 -0.232 0.000 2.568 202 S HA 0.359 4.830 4.470 0.000 0.000 0.293 202 S C -0.116 174.348 174.600 -0.228 0.000 1.089 202 S CA -0.556 57.386 58.200 -0.430 0.000 0.945 202 S CB 1.056 63.777 63.200 -0.799 0.000 1.077 202 S HN 0.516 nan 8.310 nan 0.000 0.485 203 E N 1.141 121.270 120.200 -0.119 0.000 2.435 203 E HA 0.057 4.407 4.350 0.000 0.000 0.195 203 E C -0.004 176.574 176.600 -0.036 0.000 1.029 203 E CA 0.416 56.795 56.400 -0.035 0.000 0.865 203 E CB 0.089 29.733 29.700 -0.093 0.000 0.833 203 E HN 0.533 nan 8.360 nan 0.000 0.510 204 C N 1.023 120.254 119.300 -0.115 0.000 2.751 204 C HA 0.260 4.720 4.460 0.000 0.000 0.248 204 C C 1.367 176.314 174.990 -0.072 0.000 1.710 204 C CA -0.856 58.126 59.018 -0.060 0.000 1.676 204 C CB -1.072 26.665 27.740 -0.005 0.000 3.106 204 C HN 0.436 nan 8.230 nan 0.000 0.502 205 H N 1.335 120.446 119.070 0.068 0.000 2.319 205 H HA -0.132 4.424 4.556 0.000 0.000 0.299 205 H C 2.294 177.652 175.328 0.051 0.000 1.092 205 H CA 2.205 58.326 56.048 0.122 0.000 1.302 205 H CB -0.172 29.746 29.762 0.261 0.000 1.373 205 H HN 0.593 nan 8.280 nan 0.000 0.497 206 A N 0.023 122.808 122.820 -0.060 0.000 1.855 206 A HA -0.181 4.140 4.320 0.000 0.000 0.215 206 A C 2.686 180.132 177.584 -0.231 0.000 1.191 206 A CA 2.282 54.057 52.037 -0.437 0.000 0.613 206 A CB -1.110 17.353 19.000 -0.895 0.000 0.829 206 A HN 0.459 nan 8.150 nan 0.000 0.442 207 T N -1.056 113.392 114.554 -0.177 0.000 2.788 207 T HA -0.154 4.197 4.350 0.000 0.000 0.268 207 T C 2.074 176.722 174.700 -0.087 0.000 1.044 207 T CA 1.731 63.746 62.100 -0.142 0.000 1.139 207 T CB -0.287 68.533 68.868 -0.079 0.000 0.867 207 T HN 0.543 nan 8.240 nan 0.000 0.454 208 R N 0.362 120.843 120.500 -0.031 0.000 2.075 208 R HA -0.007 4.333 4.340 0.000 0.000 0.232 208 R C 2.578 178.873 176.300 -0.009 0.000 1.126 208 R CA 1.718 57.820 56.100 0.003 0.000 0.963 208 R CB -0.180 30.137 30.300 0.028 0.000 0.858 208 R HN 0.547 nan 8.270 nan 0.000 0.435 209 E N 0.325 120.534 120.200 0.015 0.000 2.204 209 E HA -0.150 4.200 4.350 0.000 0.000 0.195 209 E C 1.740 178.302 176.600 -0.064 0.000 0.990 209 E CA 1.085 57.501 56.400 0.027 0.000 0.821 209 E CB 0.008 29.775 29.700 0.113 0.000 0.750 209 E HN 0.319 nan 8.360 nan 0.000 0.477 210 M N -0.994 118.527 119.600 -0.131 0.000 2.619 210 M HA 0.068 4.548 4.480 0.000 0.000 0.251 210 M C 1.198 177.280 176.300 -0.364 0.000 1.106 210 M CA 0.908 56.069 55.300 -0.233 0.000 1.086 210 M CB 0.646 33.083 32.600 -0.272 0.000 1.465 210 M HN 0.296 nan 8.290 nan 0.000 0.506 211 G N 1.269 109.916 108.800 -0.256 0.000 2.163 211 G HA2 -0.189 3.771 3.960 0.000 0.000 0.213 211 G HA3 -0.189 3.771 3.960 0.000 0.000 0.213 211 G C -0.012 174.779 174.900 -0.182 0.000 0.991 211 G CA -0.609 44.367 45.100 -0.207 0.000 0.653 211 G HN 0.424 nan 8.290 nan 0.000 0.518 212 I N 2.170 122.635 120.570 -0.175 0.000 2.405 212 I HA 0.502 4.672 4.170 0.000 0.000 0.280 212 I C 1.106 177.291 176.117 0.114 0.000 1.027 212 I CA -0.580 60.648 61.300 -0.121 0.000 1.161 212 I CB 1.450 39.357 38.000 -0.154 0.000 1.300 212 I HN 0.146 nan 8.210 nan 0.000 0.463 213 G N 4.641 113.630 108.800 0.314 0.000 2.432 213 G HA2 0.034 3.994 3.960 0.000 0.000 0.239 213 G HA3 0.034 3.994 3.960 0.000 0.000 0.239 213 G C 1.101 176.134 174.900 0.223 0.000 1.291 213 G CA -0.296 44.946 45.100 0.237 0.000 0.863 213 G HN 0.801 nan 8.290 nan 0.000 0.560 214 E N 1.696 121.988 120.200 0.153 0.000 2.338 214 E HA -0.115 4.235 4.350 0.000 0.000 0.197 214 E C 0.643 177.314 176.600 0.118 0.000 1.007 214 E CA 0.688 57.179 56.400 0.152 0.000 0.849 214 E CB -0.061 29.720 29.700 0.135 0.000 0.774 214 E HN 0.452 nan 8.360 nan 0.000 0.506 215 L N 2.856 124.144 121.223 0.108 0.000 2.426 215 L HA 0.286 4.627 4.340 0.000 0.000 0.255 215 L C -0.010 176.905 176.870 0.074 0.000 1.080 215 L CA -0.438 54.453 54.840 0.085 0.000 0.960 215 L CB 0.321 42.419 42.059 0.064 0.000 1.326 215 L HN 0.056 nan 8.230 nan 0.000 0.441 216 N N -0.412 118.353 118.700 0.109 0.000 2.214 216 N HA 0.022 4.762 4.740 0.000 0.000 0.214 216 N C 0.138 175.673 175.510 0.041 0.000 1.132 216 N CA -0.444 52.650 53.050 0.074 0.000 0.856 216 N CB 0.317 38.962 38.487 0.262 0.000 1.020 216 N HN 0.509 nan 8.380 nan 0.000 0.509 217 N N 0.090 118.825 118.700 0.058 0.000 3.343 217 N HA 0.634 5.374 4.740 0.000 0.000 0.330 217 N C -1.535 173.986 175.510 0.019 0.000 1.560 217 N CA -0.894 52.189 53.050 0.054 0.000 0.752 217 N CB 0.722 39.278 38.487 0.114 0.000 1.863 217 N HN 0.009 nan 8.380 nan 0.000 0.636 218 A N -1.405 121.435 122.820 0.032 0.000 2.354 218 A HA 0.498 4.818 4.320 0.000 0.000 0.321 218 A C 0.013 177.655 177.584 0.096 0.000 1.125 218 A CA -0.849 51.171 52.037 -0.029 0.000 0.799 218 A CB 0.338 19.317 19.000 -0.034 0.000 1.293 218 A HN 0.712 nan 8.150 nan 0.000 0.452 219 Y N -0.497 119.669 120.300 -0.223 0.000 2.403 219 Y HA -0.190 4.361 4.550 0.000 0.000 0.291 219 Y C 2.252 178.084 175.900 -0.113 0.000 1.143 219 Y CA 1.201 59.105 58.100 -0.326 0.000 1.257 219 Y CB 0.227 38.122 38.460 -0.942 0.000 0.984 219 Y HN 0.947 nan 8.280 nan 0.000 0.550 220 E N 0.852 121.103 120.200 0.086 0.000 2.209 220 E HA -0.218 4.132 4.350 0.000 0.000 0.196 220 E C 1.334 178.013 176.600 0.133 0.000 0.993 220 E CA 1.184 57.665 56.400 0.136 0.000 0.819 220 E CB -0.018 29.733 29.700 0.085 0.000 0.745 220 E HN 0.467 nan 8.360 nan 0.000 0.477 221 D N -0.030 120.447 120.400 0.129 0.000 2.218 221 D HA -0.153 4.487 4.640 0.000 0.000 0.204 221 D C 1.708 178.058 176.300 0.084 0.000 0.976 221 D CA 1.064 55.128 54.000 0.107 0.000 0.853 221 D CB 0.014 40.880 40.800 0.111 0.000 0.939 221 D HN 0.284 nan 8.370 nan 0.000 0.481 222 A N 0.745 123.647 122.820 0.138 0.000 2.067 222 A HA -0.162 4.159 4.320 0.000 0.000 0.219 222 A C 2.049 179.619 177.584 -0.023 0.000 1.158 222 A CA 0.906 52.926 52.037 -0.029 0.000 0.661 222 A CB -0.288 18.710 19.000 -0.003 0.000 0.801 222 A HN 0.195 nan 8.150 nan 0.000 0.452 223 Q N -0.862 118.993 119.800 0.091 0.000 2.311 223 Q HA 0.151 4.491 4.340 0.000 0.000 0.203 223 Q C 1.343 177.335 176.000 -0.013 0.000 0.954 223 Q CA 0.642 56.479 55.803 0.056 0.000 0.885 223 Q CB -0.011 28.794 28.738 0.113 0.000 0.963 223 Q HN 0.652 nan 8.270 nan 0.000 0.471 224 L N -0.176 121.045 121.223 -0.003 0.000 2.616 224 L HA 0.270 4.610 4.340 0.000 0.000 0.229 224 L C 0.733 177.594 176.870 -0.016 0.000 1.110 224 L CA -0.575 54.252 54.840 -0.022 0.000 0.884 224 L CB 0.219 42.306 42.059 0.047 0.000 1.115 224 L HN -0.022 nan 8.230 nan 0.000 0.481 225 A N -0.042 122.758 122.820 -0.033 0.000 2.386 225 A HA 0.071 4.392 4.320 0.000 0.000 0.248 225 A C 0.627 178.197 177.584 -0.024 0.000 1.082 225 A CA -0.212 51.804 52.037 -0.035 0.000 0.789 225 A CB 0.307 19.243 19.000 -0.106 0.000 1.025 225 A HN 0.129 nan 8.150 nan 0.000 0.490 226 D N -0.173 120.231 120.400 0.007 0.000 2.183 226 D HA 0.104 4.745 4.640 0.000 0.000 0.205 226 D C -0.005 176.249 176.300 -0.077 0.000 0.962 226 D CA 1.411 55.409 54.000 -0.003 0.000 0.849 226 D CB 0.330 41.127 40.800 -0.005 0.000 0.978 226 D HN 0.223 nan 8.370 nan 0.000 0.488 227 V N 1.241 121.108 119.914 -0.078 0.000 2.808 227 V HA 0.375 4.495 4.120 0.000 0.000 0.308 227 V C -0.468 175.551 176.094 -0.125 0.000 1.099 227 V CA -0.726 61.519 62.300 -0.091 0.000 0.920 227 V CB 2.918 34.737 31.823 -0.006 0.000 1.014 227 V HN -0.127 nan 8.190 nan 0.000 0.425 228 I N 2.861 123.296 120.570 -0.225 0.000 2.433 228 I HA 0.453 4.623 4.170 0.000 0.000 0.292 228 I C -1.158 174.801 176.117 -0.263 0.000 1.001 228 I CA -0.280 60.816 61.300 -0.339 0.000 1.119 228 I CB 1.900 39.447 38.000 -0.755 0.000 1.289 228 I HN 0.547 nan 8.210 nan 0.000 0.438 229 W N 4.372 125.464 121.300 -0.346 0.000 2.469 229 W HA 0.498 5.158 4.660 0.000 0.000 0.320 229 W C 0.346 176.806 176.519 -0.099 0.000 1.086 229 W CA -0.618 56.609 57.345 -0.196 0.000 1.211 229 W CB 1.693 31.091 29.460 -0.102 0.000 1.298 229 W HN 0.248 nan 8.180 nan 0.000 0.525 230 S N 4.439 120.207 115.700 0.113 0.000 2.669 230 S HA 0.619 5.090 4.470 0.000 0.000 0.315 230 S C -1.024 173.805 174.600 0.382 0.000 1.106 230 S CA -0.500 57.871 58.200 0.285 0.000 1.107 230 S CB -0.364 62.970 63.200 0.224 0.000 0.990 230 S HN 0.348 nan 8.310 nan 0.000 0.471 231 I N 4.126 124.972 120.570 0.459 0.000 2.330 231 I HA 0.451 4.621 4.170 0.000 0.000 0.289 231 I C 1.054 177.426 176.117 0.425 0.000 1.001 231 I CA -0.460 61.141 61.300 0.502 0.000 1.193 231 I CB 1.313 39.660 38.000 0.578 0.000 1.345 231 I HN 0.906 nan 8.210 nan 0.000 0.461 232 G N 4.712 113.743 108.800 0.385 0.000 2.350 232 G HA2 -0.304 3.656 3.960 0.000 0.000 0.298 232 G HA3 -0.304 3.656 3.960 0.000 0.000 0.298 232 G C -0.297 174.765 174.900 0.269 0.000 1.037 232 G CA 0.204 45.499 45.100 0.325 0.000 1.074 232 G HN 0.845 nan 8.290 nan 0.000 0.511 233 N N -0.416 118.444 118.700 0.267 0.000 2.367 233 N HA 0.276 5.017 4.740 0.000 0.000 0.278 233 N C -1.237 174.369 175.510 0.159 0.000 1.117 233 N CA -0.646 52.523 53.050 0.198 0.000 0.867 233 N CB 1.192 39.826 38.487 0.244 0.000 1.649 233 N HN 0.196 nan 8.380 nan 0.000 0.479 234 N N 4.193 122.917 118.700 0.039 0.000 2.813 234 N HA 0.234 4.974 4.740 0.000 0.000 0.282 234 N C -1.888 173.521 175.510 -0.168 0.000 1.748 234 N CA -2.077 50.935 53.050 -0.063 0.000 0.860 234 N CB 0.988 39.423 38.487 -0.086 0.000 1.204 234 N HN 0.426 nan 8.380 nan 0.000 0.490 235 P HA -0.231 nan 4.420 nan 0.000 0.217 235 P C 1.158 178.093 177.300 -0.607 0.000 1.148 235 P CA 1.027 63.850 63.100 -0.461 0.000 0.828 235 P CB -0.001 31.295 31.700 -0.674 0.000 0.783 236 Y N 1.656 121.336 120.300 -1.033 0.000 2.224 236 Y HA -0.164 4.386 4.550 0.001 0.000 0.289 236 Y C 2.250 177.960 175.900 -0.316 0.000 1.146 236 Y CA 1.778 59.411 58.100 -0.779 0.000 1.182 236 Y CB -0.347 37.686 38.460 -0.713 0.000 0.983 236 Y HN -0.033 nan 8.280 nan 0.000 0.524 237 E N -0.974 119.038 120.200 -0.314 0.000 2.190 237 E HA -0.069 4.281 4.350 0.000 0.000 0.191 237 E C 2.012 178.514 176.600 -0.163 0.000 0.978 237 E CA 1.037 57.286 56.400 -0.252 0.000 0.839 237 E CB 0.068 29.711 29.700 -0.095 0.000 0.787 237 E HN 0.532 nan 8.360 nan 0.000 0.473 238 S N -0.412 115.207 115.700 -0.135 0.000 2.505 238 S HA 0.097 4.567 4.470 0.000 0.000 0.216 238 S C 0.948 175.539 174.600 -0.014 0.000 1.018 238 S CA -0.244 57.934 58.200 -0.037 0.000 0.911 238 S CB 0.426 63.615 63.200 -0.018 0.000 0.818 238 S HN -0.049 nan 8.310 nan 0.000 0.497 239 Q N 1.249 120.998 119.800 -0.085 0.000 2.632 239 Q HA 0.407 4.748 4.340 0.000 0.000 0.352 239 Q C 0.505 176.466 176.000 -0.065 0.000 0.821 239 Q CA -0.083 55.708 55.803 -0.021 0.000 1.060 239 Q CB 0.523 29.268 28.738 0.012 0.000 1.429 239 Q HN 0.265 nan 8.270 nan 0.000 0.391 240 T N -0.106 114.388 114.554 -0.101 0.000 2.564 240 T HA -0.223 4.127 4.350 0.000 0.000 0.264 240 T C 1.362 176.064 174.700 0.002 0.000 1.100 240 T CA 2.045 64.062 62.100 -0.138 0.000 1.171 240 T CB -0.111 68.628 68.868 -0.214 0.000 0.863 240 T HN 0.403 nan 8.240 nan 0.000 0.430 241 N N 0.083 118.808 118.700 0.043 0.000 2.494 241 N HA 0.003 4.744 4.740 0.000 0.000 0.182 241 N C 1.367 176.974 175.510 0.163 0.000 1.076 241 N CA 0.292 53.393 53.050 0.086 0.000 0.908 241 N CB -0.288 38.247 38.487 0.079 0.000 0.967 241 N HN 0.449 nan 8.380 nan 0.000 0.449 242 Y N 0.573 120.839 120.300 -0.058 0.000 2.206 242 Y HA -0.032 4.519 4.550 0.000 0.000 0.292 242 Y C 2.014 177.831 175.900 -0.138 0.000 1.123 242 Y CA 0.567 58.581 58.100 -0.142 0.000 1.142 242 Y CB -0.956 37.219 38.460 -0.475 0.000 1.006 242 Y HN -0.048 nan 8.280 nan 0.000 0.518 243 F N 0.517 120.158 119.950 -0.514 0.000 2.069 243 F HA -0.247 4.280 4.527 0.000 0.000 0.298 243 F C 2.105 177.809 175.800 -0.159 0.000 1.113 243 F CA 2.025 59.613 58.000 -0.687 0.000 1.214 243 F CB -0.626 38.049 39.000 -0.541 0.000 0.978 243 F HN 0.033 nan 8.300 nan 0.000 0.474 244 L N -0.259 120.990 121.223 0.044 0.000 2.056 244 L HA -0.198 4.142 4.340 0.000 0.000 0.207 244 L C 1.932 178.760 176.870 -0.071 0.000 1.078 244 L CA 1.687 56.522 54.840 -0.008 0.000 0.749 244 L CB -0.759 41.350 42.059 0.083 0.000 0.901 244 L HN 0.193 nan 8.230 nan 0.000 0.433 245 N N -1.889 116.770 118.700 -0.068 0.000 2.373 245 N HA -0.075 4.665 4.740 0.000 0.000 0.181 245 N C 1.566 176.814 175.510 -0.436 0.000 1.082 245 N CA 0.670 53.575 53.050 -0.241 0.000 0.885 245 N CB 0.311 38.631 38.487 -0.279 0.000 0.977 245 N HN 0.338 nan 8.380 nan 0.000 0.462 246 H N -2.955 116.196 119.070 0.136 0.000 2.348 246 H HA 0.100 4.656 4.556 0.000 0.000 0.233 246 H C 0.812 176.244 175.328 0.173 0.000 0.889 246 H CA 0.143 56.317 56.048 0.210 0.000 1.034 246 H CB -0.123 29.904 29.762 0.442 0.000 1.393 246 H HN 0.157 nan 8.280 nan 0.000 0.422 247 W N 2.159 123.371 121.300 -0.147 0.000 2.408 247 W HA 0.029 4.690 4.660 0.001 0.000 0.311 247 W C 2.433 178.759 176.519 -0.322 0.000 1.190 247 W CA 0.427 57.603 57.345 -0.282 0.000 1.321 247 W CB -1.028 28.165 29.460 -0.445 0.000 1.143 247 W HN 0.022 nan 8.180 nan 0.000 0.501 248 L N -0.179 120.935 121.223 -0.183 0.000 2.079 248 L HA -0.176 4.164 4.340 0.000 0.000 0.210 248 L C -0.338 176.464 176.870 -0.112 0.000 1.081 248 L CA 1.423 56.135 54.840 -0.213 0.000 0.752 248 L CB -2.228 39.671 42.059 -0.267 0.000 0.896 248 L HN -0.078 nan 8.230 nan 0.000 0.433 249 P HA -0.125 nan 4.420 nan 0.000 0.218 249 P C 1.202 178.467 177.300 -0.058 0.000 1.149 249 P CA 1.151 64.212 63.100 -0.064 0.000 0.817 249 P CB 0.010 31.676 31.700 -0.057 0.000 0.785 250 N N -0.274 118.395 118.700 -0.052 0.000 2.080 250 N HA -0.109 4.631 4.740 0.000 0.000 0.189 250 N C 1.631 177.094 175.510 -0.078 0.000 1.036 250 N CA 1.363 54.374 53.050 -0.066 0.000 0.846 250 N CB -0.963 37.476 38.487 -0.080 0.000 1.015 250 N HN 0.031 nan 8.380 nan 0.000 0.423 251 L N 0.458 121.631 121.223 -0.084 0.000 2.079 251 L HA -0.162 4.178 4.340 0.000 0.000 0.210 251 L C 2.124 178.950 176.870 -0.074 0.000 1.081 251 L CA 1.163 55.955 54.840 -0.081 0.000 0.752 251 L CB -0.464 41.554 42.059 -0.069 0.000 0.896 251 L HN 0.284 nan 8.230 nan 0.000 0.433 252 Q N -0.277 119.480 119.800 -0.072 0.000 2.436 252 Q HA 0.013 4.354 4.340 0.000 0.000 0.209 252 Q C 1.528 177.492 176.000 -0.059 0.000 0.965 252 Q CA 0.657 56.422 55.803 -0.065 0.000 0.910 252 Q CB 0.177 28.878 28.738 -0.062 0.000 0.980 252 Q HN 0.639 nan 8.270 nan 0.000 0.491 253 G N 0.004 108.767 108.800 -0.060 0.000 2.157 253 G HA2 -0.339 3.621 3.960 0.000 0.000 0.248 253 G HA3 -0.339 3.621 3.960 0.000 0.000 0.248 253 G C 0.756 175.624 174.900 -0.052 0.000 0.979 253 G CA 0.191 45.258 45.100 -0.055 0.000 0.650 253 G HN 0.459 nan 8.290 nan 0.000 0.529 254 A N 0.051 122.840 122.820 -0.053 0.000 2.206 254 A HA 0.426 4.746 4.320 0.000 0.000 0.211 254 A C 2.217 179.770 177.584 -0.052 0.000 1.158 254 A CA 2.443 54.451 52.037 -0.049 0.000 0.761 254 A CB -0.376 18.595 19.000 -0.048 0.000 0.801 254 A HN 1.508 nan 8.150 nan 0.000 0.473 255 T N -5.705 108.813 114.554 -0.060 0.000 3.044 255 T HA 0.065 4.415 4.350 0.000 0.000 0.260 255 T C 1.381 176.017 174.700 -0.107 0.000 1.019 255 T CA 0.868 62.926 62.100 -0.071 0.000 0.921 255 T CB -0.248 68.585 68.868 -0.059 0.000 1.053 255 T HN 0.148 nan 8.240 nan 0.000 0.533 256 T N 2.920 117.418 114.554 -0.094 0.000 2.720 256 T HA -0.172 4.178 4.350 0.000 0.000 0.268 256 T C 2.354 176.982 174.700 -0.119 0.000 1.037 256 T CA 2.001 64.036 62.100 -0.108 0.000 1.144 256 T CB -0.579 68.259 68.868 -0.049 0.000 0.864 256 T HN 0.732 nan 8.240 nan 0.000 0.444 257 S N 1.447 117.097 115.700 -0.083 0.000 2.402 257 S HA -0.054 4.416 4.470 0.000 0.000 0.229 257 S C 1.931 176.469 174.600 -0.104 0.000 1.021 257 S CA 0.800 58.957 58.200 -0.072 0.000 0.974 257 S CB -0.297 62.873 63.200 -0.050 0.000 0.800 257 S HN 0.454 nan 8.310 nan 0.000 0.484 258 K N 1.335 121.662 120.400 -0.121 0.000 2.026 258 K HA -0.034 4.286 4.320 0.000 0.000 0.208 258 K C 2.374 178.847 176.600 -0.212 0.000 1.048 258 K CA 1.594 57.798 56.287 -0.138 0.000 0.929 258 K CB -0.153 32.281 32.500 -0.110 0.000 0.713 258 K HN 0.411 nan 8.250 nan 0.000 0.439 259 K N 0.930 121.138 120.400 -0.320 0.000 2.026 259 K HA -0.143 4.177 4.320 0.000 0.000 0.208 259 K C 1.992 178.326 176.600 -0.443 0.000 1.048 259 K CA 1.457 57.380 56.287 -0.608 0.000 0.929 259 K CB -0.023 31.688 32.500 -1.315 0.000 0.713 259 K HN 0.063 nan 8.250 nan 0.000 0.439 260 K N 0.913 121.174 120.400 -0.232 0.000 2.148 260 K HA -0.137 4.184 4.320 0.000 0.000 0.204 260 K C 1.990 178.604 176.600 0.024 0.000 1.050 260 K CA 1.170 57.496 56.287 0.065 0.000 0.942 260 K CB 0.038 32.593 32.500 0.090 0.000 0.724 260 K HN 0.230 nan 8.250 nan 0.000 0.446 261 E N 0.490 120.646 120.200 -0.074 0.000 2.072 261 E HA -0.116 4.235 4.350 0.000 0.000 0.190 261 E C 2.046 178.548 176.600 -0.164 0.000 0.982 261 E CA 0.811 57.157 56.400 -0.092 0.000 0.803 261 E CB 0.134 29.774 29.700 -0.099 0.000 0.755 261 E HN 0.192 nan 8.360 nan 0.000 0.453 262 R N -0.432 119.883 120.500 -0.308 0.000 2.115 262 R HA -0.019 4.321 4.340 0.000 0.000 0.226 262 R C 0.040 175.876 176.300 -0.773 0.000 1.100 262 R CA 0.681 56.396 56.100 -0.642 0.000 0.980 262 R CB 0.216 29.870 30.300 -1.077 0.000 0.875 262 R HN 0.026 nan 8.270 nan 0.000 0.445 263 F N -0.361 119.644 119.950 0.092 0.000 2.686 263 F HA 0.335 4.862 4.527 0.000 0.000 0.365 263 F C -1.922 173.987 175.800 0.182 0.000 1.196 263 F CA -2.799 55.305 58.000 0.173 0.000 1.198 263 F CB 1.674 40.882 39.000 0.346 0.000 1.454 263 F HN -0.210 nan 8.300 nan 0.000 0.539 264 P HA -0.120 nan 4.420 nan 0.000 0.219 264 P C 0.522 177.899 177.300 0.128 0.000 1.146 264 P CA 1.347 64.530 63.100 0.139 0.000 0.808 264 P CB 0.275 32.019 31.700 0.073 0.000 0.779 265 N N -0.442 118.335 118.700 0.129 0.000 2.389 265 N HA 0.088 4.828 4.740 0.000 0.000 0.260 265 N C -0.236 175.280 175.510 0.009 0.000 1.191 265 N CA 0.116 53.202 53.050 0.060 0.000 0.885 265 N CB 0.445 38.959 38.487 0.045 0.000 1.162 265 N HN 0.311 nan 8.380 nan 0.000 0.512 266 E N 0.464 120.669 120.200 0.008 0.000 2.248 266 E HA 0.282 4.632 4.350 0.000 0.000 0.267 266 E C -1.038 175.297 176.600 -0.442 0.000 0.877 266 E CA -0.582 55.676 56.400 -0.235 0.000 0.759 266 E CB 1.585 31.101 29.700 -0.307 0.000 1.182 266 E HN 0.101 nan 8.360 nan 0.000 0.418 267 N N 2.773 121.179 118.700 -0.490 0.000 2.530 267 N HA 0.216 4.956 4.740 0.000 0.000 0.273 267 N C -1.316 173.738 175.510 -0.759 0.000 1.173 267 N CA 0.051 52.855 53.050 -0.410 0.000 0.967 267 N CB 0.591 38.917 38.487 -0.268 0.000 1.109 267 N HN 0.228 nan 8.380 nan 0.000 0.453 268 F N 2.460 122.384 119.950 -0.043 0.000 2.532 268 F HA 0.346 4.873 4.527 0.000 0.000 0.365 268 F C -1.742 174.013 175.800 -0.075 0.000 1.112 268 F CA -1.754 56.213 58.000 -0.055 0.000 1.082 268 F CB 0.968 39.953 39.000 -0.026 0.000 1.319 268 F HN 0.284 nan 8.300 nan 0.000 0.457 269 P HA 0.139 nan 4.420 nan 0.000 0.274 269 P C -0.692 176.577 177.300 -0.051 0.000 1.256 269 P CA -0.526 62.539 63.100 -0.058 0.000 0.795 269 P CB 0.883 32.504 31.700 -0.133 0.000 1.038 270 Q N -0.345 119.398 119.800 -0.095 0.000 2.349 270 Q HA 0.278 4.618 4.340 0.000 0.000 0.287 270 Q C 0.310 176.219 176.000 -0.152 0.000 1.044 270 Q CA -0.077 55.661 55.803 -0.108 0.000 0.918 270 Q CB 0.243 28.906 28.738 -0.126 0.000 1.242 270 Q HN 0.531 nan 8.270 nan 0.000 0.405 271 A N 3.551 126.294 122.820 -0.127 0.000 2.407 271 A HA 0.333 4.653 4.320 0.000 0.000 0.248 271 A C -0.097 177.364 177.584 -0.204 0.000 1.082 271 A CA 0.057 52.005 52.037 -0.148 0.000 0.785 271 A CB 0.491 19.421 19.000 -0.118 0.000 1.020 271 A HN 0.728 nan 8.150 nan 0.000 0.489 272 R N -0.013 120.348 120.500 -0.232 0.000 2.888 272 R HA 0.773 5.113 4.340 0.000 0.000 0.266 272 R C -1.270 174.950 176.300 -0.132 0.000 1.020 272 R CA -0.692 55.259 56.100 -0.249 0.000 0.963 272 R CB 2.163 32.117 30.300 -0.578 0.000 1.197 272 R HN 0.723 nan 8.270 nan 0.000 0.481 273 I N 1.404 121.950 120.570 -0.040 0.000 2.619 273 I HA 0.477 4.648 4.170 0.000 0.000 0.292 273 I C -1.525 174.508 176.117 -0.141 0.000 1.100 273 I CA -0.825 60.390 61.300 -0.141 0.000 1.043 273 I CB 1.872 39.806 38.000 -0.109 0.000 1.239 273 I HN 0.511 nan 8.210 nan 0.000 0.420 274 I N 7.096 127.391 120.570 -0.457 0.000 2.447 274 I HA 0.361 4.532 4.170 0.000 0.000 0.287 274 I C -1.313 174.498 176.117 -0.511 0.000 1.023 274 I CA -0.410 60.557 61.300 -0.555 0.000 1.083 274 I CB 1.695 38.931 38.000 -1.273 0.000 1.245 274 I HN 0.355 nan 8.210 nan 0.000 0.434 275 F N 5.584 125.507 119.950 -0.044 0.000 2.427 275 F HA 0.433 4.960 4.527 0.000 0.000 0.346 275 F C 0.104 176.017 175.800 0.189 0.000 1.120 275 F CA -0.833 57.236 58.000 0.115 0.000 1.033 275 F CB 1.714 40.776 39.000 0.103 0.000 1.126 275 F HN 0.016 nan 8.300 nan 0.000 0.462 276 V N 3.444 123.604 119.914 0.411 0.000 2.294 276 V HA 0.370 4.490 4.120 0.000 0.000 0.272 276 V C -0.820 175.503 176.094 0.381 0.000 1.027 276 V CA -0.253 62.268 62.300 0.368 0.000 0.823 276 V CB 0.804 32.887 31.823 0.435 0.000 1.030 276 V HN 0.672 nan 8.190 nan 0.000 0.457 277 D N 5.759 126.385 120.400 0.376 0.000 2.871 277 D HA 0.317 4.958 4.640 0.000 0.000 0.209 277 D C -2.378 174.143 176.300 0.369 0.000 1.292 277 D CA -1.318 52.901 54.000 0.365 0.000 0.869 277 D CB 3.356 44.355 40.800 0.332 0.000 1.663 277 D HN 0.065 nan 8.370 nan 0.000 0.557 278 P HA -0.070 nan 4.420 nan 0.000 0.219 278 P C 0.105 177.597 177.300 0.319 0.000 1.146 278 P CA 0.849 64.085 63.100 0.227 0.000 0.808 278 P CB 0.302 32.094 31.700 0.153 0.000 0.779 279 R N 0.631 121.350 120.500 0.365 0.000 2.474 279 R HA 0.217 4.557 4.340 0.000 0.000 0.295 279 R C -0.165 176.225 176.300 0.150 0.000 0.980 279 R CA -0.586 55.667 56.100 0.255 0.000 0.934 279 R CB 0.684 31.072 30.300 0.146 0.000 1.101 279 R HN -0.087 nan 8.270 nan 0.000 0.469 280 E N 3.086 123.351 120.200 0.108 0.000 2.129 280 E HA 0.074 4.424 4.350 0.000 0.000 0.283 280 E C -0.783 175.689 176.600 -0.213 0.000 1.080 280 E CA -0.307 56.025 56.400 -0.113 0.000 0.867 280 E CB 0.749 30.462 29.700 0.021 0.000 1.056 280 E HN 0.674 nan 8.360 nan 0.000 0.404 281 T N 1.268 115.612 114.554 -0.350 0.000 2.937 281 T HA 0.354 4.704 4.350 0.000 0.000 0.283 281 T C -2.003 172.509 174.700 -0.312 0.000 1.012 281 T CA -1.950 59.953 62.100 -0.327 0.000 0.997 281 T CB 1.473 70.136 68.868 -0.341 0.000 1.136 281 T HN 0.144 nan 8.240 nan 0.000 0.551 282 P HA -0.053 nan 4.420 nan 0.000 0.218 282 P C 1.680 178.806 177.300 -0.290 0.000 1.148 282 P CA 1.009 63.984 63.100 -0.209 0.000 0.822 282 P CB -0.073 31.563 31.700 -0.106 0.000 0.784 283 S N -0.953 114.537 115.700 -0.350 0.000 2.368 283 S HA -0.108 4.362 4.470 0.000 0.000 0.225 283 S C 1.977 176.281 174.600 -0.493 0.000 1.030 283 S CA 1.162 59.105 58.200 -0.428 0.000 0.999 283 S CB -1.169 61.773 63.200 -0.430 0.000 0.844 283 S HN -0.022 nan 8.310 nan 0.000 0.459 284 V N 2.126 121.530 119.914 -0.849 0.000 2.295 284 V HA -0.209 3.911 4.120 0.000 0.000 0.246 284 V C 2.682 178.608 176.094 -0.281 0.000 1.049 284 V CA 1.715 63.508 62.300 -0.845 0.000 1.024 284 V CB -1.260 30.045 31.823 -0.863 0.000 0.648 284 V HN 0.542 nan 8.190 nan 0.000 0.447 285 A N -0.163 122.525 122.820 -0.219 0.000 1.908 285 A HA -0.198 4.122 4.320 0.000 0.000 0.218 285 A C 2.183 179.782 177.584 0.026 0.000 1.181 285 A CA 2.086 54.083 52.037 -0.068 0.000 0.627 285 A CB -0.557 18.402 19.000 -0.070 0.000 0.818 285 A HN 0.522 nan 8.150 nan 0.000 0.445 286 I N -0.526 120.033 120.570 -0.018 0.000 2.286 286 I HA -0.214 3.956 4.170 0.000 0.000 0.245 286 I C 2.952 179.178 176.117 0.181 0.000 1.104 286 I CA 0.851 62.181 61.300 0.050 0.000 1.397 286 I CB -0.297 37.670 38.000 -0.054 0.000 1.072 286 I HN 0.354 nan 8.210 nan 0.000 0.417 287 A N 1.017 123.988 122.820 0.251 0.000 1.883 287 A HA -0.224 4.097 4.320 0.000 0.000 0.217 287 A C 2.387 180.085 177.584 0.190 0.000 1.186 287 A CA 1.603 53.824 52.037 0.306 0.000 0.624 287 A CB -0.580 18.749 19.000 0.548 0.000 0.822 287 A HN 0.307 nan 8.150 nan 0.000 0.444 288 R N -1.822 118.773 120.500 0.158 0.000 2.081 288 R HA -0.159 4.181 4.340 0.000 0.000 0.235 288 R C 2.265 178.632 176.300 0.112 0.000 1.131 288 R CA 1.625 57.798 56.100 0.123 0.000 0.960 288 R CB -0.548 29.814 30.300 0.103 0.000 0.856 288 R HN 0.818 nan 8.270 nan 0.000 0.436 289 H N 0.322 119.434 119.070 0.071 0.000 2.352 289 H HA -0.076 4.481 4.556 0.000 0.000 0.299 289 H C 1.744 177.099 175.328 0.045 0.000 1.097 289 H CA 1.785 57.880 56.048 0.078 0.000 1.311 289 H CB 0.078 29.921 29.762 0.134 0.000 1.377 289 H HN -0.065 nan 8.280 nan 0.000 0.504 290 V N -0.128 119.782 119.914 -0.007 0.000 2.346 290 V HA -0.037 4.083 4.120 0.000 0.000 0.244 290 V C 2.446 178.497 176.094 -0.072 0.000 1.037 290 V CA 1.542 63.800 62.300 -0.069 0.000 1.029 290 V CB -0.648 31.172 31.823 -0.005 0.000 0.663 290 V HN 0.649 nan 8.190 nan 0.000 0.454 291 A N -1.147 121.661 122.820 -0.021 0.000 2.220 291 A HA 0.543 4.863 4.320 0.000 0.000 0.211 291 A C 1.245 178.813 177.584 -0.026 0.000 1.176 291 A CA 0.856 52.876 52.037 -0.028 0.000 0.834 291 A CB -0.201 18.796 19.000 -0.005 0.000 0.868 291 A HN 1.202 nan 8.150 nan 0.000 0.488 292 G N -0.431 108.362 108.800 -0.011 0.000 2.705 292 G HA2 -0.172 3.788 3.960 0.000 0.000 0.686 292 G HA3 -0.172 3.788 3.960 0.000 0.000 0.686 292 G C 0.073 175.000 174.900 0.046 0.000 1.285 292 G CA -0.163 44.938 45.100 0.002 0.000 0.800 292 G HN 0.159 nan 8.290 nan 0.000 0.611 293 N N 0.414 119.150 118.700 0.059 0.000 2.149 293 N HA -0.091 4.650 4.740 0.000 0.000 0.188 293 N C 1.524 177.107 175.510 0.122 0.000 1.019 293 N CA 1.691 54.795 53.050 0.090 0.000 0.857 293 N CB -0.139 38.394 38.487 0.077 0.000 0.997 293 N HN 0.620 nan 8.380 nan 0.000 0.426 294 D N 0.078 120.536 120.400 0.097 0.000 2.348 294 D HA -0.012 4.628 4.640 0.000 0.000 0.216 294 D C 1.129 177.515 176.300 0.143 0.000 0.970 294 D CA 0.514 54.594 54.000 0.133 0.000 0.889 294 D CB 0.046 40.889 40.800 0.073 0.000 0.912 294 D HN 0.266 nan 8.370 nan 0.000 0.524 295 R N -0.368 120.171 120.500 0.064 0.000 2.432 295 R HA 0.228 4.569 4.340 0.000 0.000 0.260 295 R C -0.466 175.907 176.300 0.121 0.000 0.935 295 R CA -0.031 56.021 56.100 -0.081 0.000 1.080 295 R CB 1.282 31.496 30.300 -0.144 0.000 1.155 295 R HN -0.088 nan 8.270 nan 0.000 0.531 296 V N 1.581 121.676 119.914 0.302 0.000 2.588 296 V HA 0.395 4.515 4.120 0.000 0.000 0.304 296 V C -0.576 175.712 176.094 0.324 0.000 1.042 296 V CA -0.791 61.709 62.300 0.333 0.000 0.877 296 V CB 2.473 34.462 31.823 0.276 0.000 0.996 296 V HN 0.102 nan 8.190 nan 0.000 0.425 297 L N 4.183 125.536 121.223 0.218 0.000 2.319 297 L HA 0.516 4.856 4.340 0.000 0.000 0.281 297 L C -0.299 176.658 176.870 0.144 0.000 1.005 297 L CA -0.437 54.412 54.840 0.016 0.000 0.828 297 L CB 1.435 43.294 42.059 -0.334 0.000 1.227 297 L HN 0.727 nan 8.230 nan 0.000 0.415 298 H N 5.594 124.695 119.070 0.052 0.000 2.641 298 H HA 0.351 4.907 4.556 0.000 0.000 0.295 298 H C -0.846 174.494 175.328 0.021 0.000 1.070 298 H CA -0.875 55.226 56.048 0.088 0.000 1.257 298 H CB 0.891 30.690 29.762 0.062 0.000 1.393 298 H HN 0.504 nan 8.280 nan 0.000 0.464 299 L N 5.645 126.882 121.223 0.024 0.000 2.356 299 L HA 0.236 4.576 4.340 0.000 0.000 0.282 299 L C 0.669 177.428 176.870 -0.185 0.000 1.132 299 L CA -0.504 54.272 54.840 -0.108 0.000 0.923 299 L CB 0.614 42.649 42.059 -0.040 0.000 1.278 299 L HN 0.650 nan 8.230 nan 0.000 0.436 300 A N 5.701 128.260 122.820 -0.436 0.000 3.037 300 A HA 0.342 4.663 4.320 0.000 0.000 0.272 300 A C 0.623 178.123 177.584 -0.140 0.000 1.723 300 A CA -0.546 51.261 52.037 -0.383 0.000 1.413 300 A CB -0.810 17.890 19.000 -0.499 0.000 1.112 300 A HN 0.756 nan 8.150 nan 0.000 0.606 301 I N -2.267 118.259 120.570 -0.074 0.000 2.993 301 I HA 0.209 4.379 4.170 0.000 0.000 0.286 301 I C 0.224 176.296 176.117 -0.074 0.000 1.215 301 I CA -0.577 60.678 61.300 -0.076 0.000 1.393 301 I CB 0.521 38.479 38.000 -0.071 0.000 1.371 301 I HN 0.255 nan 8.210 nan 0.000 0.602 302 E N 4.243 124.391 120.200 -0.087 0.000 2.384 302 E HA 0.198 4.548 4.350 0.000 0.000 0.266 302 E C -2.202 174.322 176.600 -0.126 0.000 1.012 302 E CA -1.440 54.904 56.400 -0.093 0.000 0.901 302 E CB 0.219 29.889 29.700 -0.050 0.000 0.967 302 E HN 0.452 nan 8.360 nan 0.000 0.435 303 P HA -0.067 nan 4.420 nan 0.000 0.263 303 P C 0.590 177.916 177.300 0.044 0.000 1.175 303 P CA 1.148 64.022 63.100 -0.378 0.000 0.761 303 P CB 0.360 31.395 31.700 -1.108 0.000 0.794 304 G N 2.330 111.245 108.800 0.191 0.000 2.162 304 G HA2 -0.280 3.681 3.960 0.000 0.000 0.260 304 G HA3 -0.280 3.681 3.960 0.000 0.000 0.260 304 G C 0.668 175.709 174.900 0.235 0.000 0.976 304 G CA 0.606 45.871 45.100 0.274 0.000 0.655 304 G HN 0.659 nan 8.290 nan 0.000 0.533 305 T N -2.492 112.104 114.554 0.070 0.000 3.186 305 T HA 0.352 4.702 4.350 0.000 0.000 0.257 305 T C 1.298 175.830 174.700 -0.280 0.000 1.029 305 T CA 0.902 62.891 62.100 -0.186 0.000 0.916 305 T CB 0.172 68.882 68.868 -0.262 0.000 1.041 305 T HN 0.205 nan 8.240 nan 0.000 0.562 306 D N 2.053 122.404 120.400 -0.081 0.000 2.133 306 D HA -0.129 4.512 4.640 0.000 0.000 0.195 306 D C 2.017 178.253 176.300 -0.107 0.000 0.997 306 D CA 1.783 55.728 54.000 -0.092 0.000 0.840 306 D CB -0.417 40.487 40.800 0.174 0.000 0.947 306 D HN 0.340 nan 8.370 nan 0.000 0.452 307 T N -0.047 114.520 114.554 0.021 0.000 2.720 307 T HA -0.182 4.168 4.350 0.000 0.000 0.268 307 T C 2.046 176.671 174.700 -0.125 0.000 1.037 307 T CA 1.392 63.545 62.100 0.089 0.000 1.144 307 T CB -0.427 68.611 68.868 0.284 0.000 0.864 307 T HN 0.246 nan 8.240 nan 0.000 0.444 308 A N 1.183 123.682 122.820 -0.535 0.000 1.902 308 A HA -0.021 4.299 4.320 0.000 0.000 0.217 308 A C 2.236 179.594 177.584 -0.376 0.000 1.181 308 A CA 1.356 53.011 52.037 -0.637 0.000 0.623 308 A CB -0.849 17.444 19.000 -1.177 0.000 0.818 308 A HN 0.413 nan 8.150 nan 0.000 0.443 309 L N -1.253 119.716 121.223 -0.425 0.000 1.989 309 L HA -0.145 4.195 4.340 0.000 0.000 0.211 309 L C 2.178 178.845 176.870 -0.339 0.000 1.071 309 L CA 2.185 56.773 54.840 -0.420 0.000 0.749 309 L CB -0.780 40.900 42.059 -0.633 0.000 0.890 309 L HN 0.347 nan 8.230 nan 0.000 0.431 310 F N -0.157 119.793 119.950 0.001 0.000 2.259 310 F HA -0.103 4.424 4.527 0.000 0.000 0.298 310 F C 2.350 178.189 175.800 0.064 0.000 1.088 310 F CA 0.943 58.956 58.000 0.023 0.000 1.358 310 F CB -1.138 37.845 39.000 -0.027 0.000 1.040 310 F HN 0.221 nan 8.300 nan 0.000 0.505 311 N N 0.292 119.090 118.700 0.163 0.000 2.142 311 N HA -0.100 4.640 4.740 0.000 0.000 0.186 311 N C 2.296 177.903 175.510 0.163 0.000 1.023 311 N CA 1.325 54.484 53.050 0.182 0.000 0.852 311 N CB -1.017 37.534 38.487 0.108 0.000 0.998 311 N HN 0.330 nan 8.380 nan 0.000 0.424 312 G N 1.060 109.896 108.800 0.059 0.000 2.421 312 G HA2 -0.150 3.811 3.960 0.000 0.000 0.216 312 G HA3 -0.150 3.811 3.960 0.000 0.000 0.216 312 G C 1.643 176.613 174.900 0.117 0.000 1.171 312 G CA 0.383 45.506 45.100 0.039 0.000 0.775 312 G HN 0.230 nan 8.290 nan 0.000 0.543 313 L N -0.755 120.570 121.223 0.170 0.000 2.056 313 L HA 0.036 4.377 4.340 0.000 0.000 0.207 313 L C 2.562 179.601 176.870 0.282 0.000 1.078 313 L CA 1.018 56.021 54.840 0.273 0.000 0.749 313 L CB -0.432 41.831 42.059 0.339 0.000 0.901 313 L HN 0.297 nan 8.230 nan 0.000 0.433 314 F N 0.660 120.672 119.950 0.104 0.000 2.102 314 F HA -0.259 4.269 4.527 0.001 0.000 0.298 314 F C 2.492 178.326 175.800 0.057 0.000 1.105 314 F CA 1.921 59.958 58.000 0.060 0.000 1.239 314 F CB -0.138 38.899 39.000 0.062 0.000 0.991 314 F HN -0.067 nan 8.300 nan 0.000 0.474 315 T N -0.286 114.230 114.554 -0.063 0.000 2.684 315 T HA -0.287 4.064 4.350 0.000 0.000 0.267 315 T C 1.534 176.163 174.700 -0.118 0.000 1.036 315 T CA 1.899 63.889 62.100 -0.182 0.000 1.148 315 T CB -0.800 68.047 68.868 -0.035 0.000 0.863 315 T HN 0.528 nan 8.240 nan 0.000 0.436 316 Y N 2.022 122.250 120.300 -0.121 0.000 2.145 316 Y HA -0.203 4.347 4.550 0.000 0.000 0.286 316 Y C 2.497 178.290 175.900 -0.179 0.000 1.145 316 Y CA 1.424 59.447 58.100 -0.127 0.000 1.148 316 Y CB -0.295 38.139 38.460 -0.043 0.000 0.981 316 Y HN 0.104 nan 8.280 nan 0.000 0.507 317 V N -2.688 117.180 119.914 -0.077 0.000 2.490 317 V HA -0.194 3.927 4.120 0.000 0.000 0.250 317 V C 1.950 177.909 176.094 -0.226 0.000 1.061 317 V CA 1.673 63.895 62.300 -0.131 0.000 1.064 317 V CB -1.336 30.550 31.823 0.105 0.000 0.670 317 V HN 0.287 nan 8.190 nan 0.000 0.461 318 V N 0.805 120.565 119.914 -0.256 0.000 2.307 318 V HA -0.219 3.901 4.120 0.000 0.000 0.245 318 V C 2.798 178.747 176.094 -0.242 0.000 1.045 318 V CA 2.493 64.662 62.300 -0.218 0.000 1.024 318 V CB -0.762 30.844 31.823 -0.361 0.000 0.651 318 V HN 0.607 nan 8.190 nan 0.000 0.449 319 E N -0.410 119.605 120.200 -0.308 0.000 2.110 319 E HA -0.234 4.116 4.350 0.000 0.000 0.193 319 E C 2.250 178.599 176.600 -0.417 0.000 0.988 319 E CA 1.073 57.290 56.400 -0.304 0.000 0.804 319 E CB -0.112 29.429 29.700 -0.264 0.000 0.745 319 E HN 0.534 nan 8.360 nan 0.000 0.458 320 Q N -0.823 118.559 119.800 -0.696 0.000 2.435 320 Q HA 0.002 4.342 4.340 0.000 0.000 0.207 320 Q C 1.339 176.963 176.000 -0.626 0.000 0.956 320 Q CA 0.934 56.157 55.803 -0.966 0.000 0.917 320 Q CB 0.772 28.243 28.738 -2.111 0.000 0.997 320 Q HN 0.451 nan 8.270 nan 0.000 0.497 321 G N 0.075 108.677 108.800 -0.330 0.000 2.143 321 G HA2 -0.182 3.778 3.960 0.000 0.000 0.248 321 G HA3 -0.182 3.778 3.960 0.000 0.000 0.248 321 G C -0.353 174.637 174.900 0.149 0.000 0.991 321 G CA 0.076 45.133 45.100 -0.072 0.000 0.689 321 G HN 0.260 nan 8.290 nan 0.000 0.522 322 W N 1.385 122.665 121.300 -0.034 0.000 1.694 322 W HA 0.605 5.265 4.660 0.000 0.000 0.425 322 W C 1.045 177.595 176.519 0.051 0.000 0.615 322 W CA -0.826 56.539 57.345 0.033 0.000 2.237 322 W CB -1.248 28.259 29.460 0.080 0.000 1.478 322 W HN 0.521 nan 8.180 nan 0.000 0.427 323 I N -2.427 118.280 120.570 0.228 0.000 3.145 323 I HA 0.514 4.684 4.170 0.000 0.000 0.313 323 I C -0.447 175.745 176.117 0.125 0.000 1.122 323 I CA -1.091 60.297 61.300 0.147 0.000 0.987 323 I CB 2.472 40.509 38.000 0.060 0.000 1.236 323 I HN -0.350 nan 8.210 nan 0.000 0.453 324 D N 2.380 122.863 120.400 0.139 0.000 2.485 324 D HA 0.253 4.893 4.640 0.000 0.000 0.221 324 D C 0.514 176.877 176.300 0.105 0.000 1.112 324 D CA -0.239 53.861 54.000 0.166 0.000 0.911 324 D CB 1.151 42.114 40.800 0.272 0.000 1.019 324 D HN 0.556 nan 8.370 nan 0.000 0.516 325 K N 2.362 122.778 120.400 0.027 0.000 2.097 325 K HA -0.078 4.242 4.320 0.000 0.000 0.206 325 K C -0.945 175.643 176.600 -0.019 0.000 1.049 325 K CA 1.042 57.295 56.287 -0.057 0.000 0.933 325 K CB -0.416 32.049 32.500 -0.058 0.000 0.717 325 K HN 0.331 nan 8.250 nan 0.000 0.442 326 P HA -0.160 nan 4.420 nan 0.000 0.217 326 P C 1.140 178.482 177.300 0.070 0.000 1.150 326 P CA 0.930 64.060 63.100 0.051 0.000 0.832 326 P CB 0.019 31.773 31.700 0.091 0.000 0.787 327 F N 0.131 120.072 119.950 -0.015 0.000 2.146 327 F HA -0.136 4.392 4.527 0.000 0.000 0.298 327 F C 1.969 177.754 175.800 -0.025 0.000 1.096 327 F CA 1.337 59.315 58.000 -0.038 0.000 1.275 327 F CB -0.807 38.037 39.000 -0.259 0.000 1.008 327 F HN -0.239 nan 8.300 nan 0.000 0.480 328 I N 0.136 120.625 120.570 -0.135 0.000 2.179 328 I HA -0.267 3.903 4.170 0.000 0.000 0.242 328 I C 2.333 178.326 176.117 -0.207 0.000 1.088 328 I CA 1.754 62.925 61.300 -0.215 0.000 1.357 328 I CB -0.472 37.346 38.000 -0.302 0.000 1.051 328 I HN 0.130 nan 8.210 nan 0.000 0.409 329 E N 0.853 120.952 120.200 -0.168 0.000 2.106 329 E HA -0.131 4.219 4.350 0.000 0.000 0.192 329 E C 2.024 178.520 176.600 -0.174 0.000 0.984 329 E CA 1.419 57.739 56.400 -0.134 0.000 0.806 329 E CB -0.057 29.586 29.700 -0.095 0.000 0.750 329 E HN 0.449 nan 8.360 nan 0.000 0.458 330 A N -0.927 121.737 122.820 -0.261 0.000 2.030 330 A HA -0.007 4.314 4.320 0.000 0.000 0.215 330 A C 1.155 178.385 177.584 -0.590 0.000 1.164 330 A CA 0.841 52.621 52.037 -0.428 0.000 0.697 330 A CB -0.076 18.596 19.000 -0.546 0.000 0.827 330 A HN 0.254 nan 8.150 nan 0.000 0.457 331 H N -0.664 118.226 119.070 -0.300 0.000 2.916 331 H HA 0.192 4.749 4.556 0.000 0.000 0.262 331 H C -0.036 175.088 175.328 -0.340 0.000 1.178 331 H CA 0.871 56.734 56.048 -0.309 0.000 1.090 331 H CB 0.306 29.793 29.762 -0.459 0.000 1.657 331 H HN 0.560 nan 8.280 nan 0.000 0.601 332 T N -1.480 112.964 114.554 -0.182 0.000 2.865 332 T HA 0.645 4.995 4.350 0.000 0.000 0.294 332 T C -0.784 173.959 174.700 0.073 0.000 1.119 332 T CA -0.934 61.122 62.100 -0.073 0.000 1.007 332 T CB 3.476 72.353 68.868 0.015 0.000 1.225 332 T HN -0.139 nan 8.240 nan 0.000 0.515 333 K N -0.257 120.245 120.400 0.170 0.000 2.498 333 K HA 0.641 4.961 4.320 0.000 0.000 0.254 333 K C 0.540 177.264 176.600 0.206 0.000 0.933 333 K CA -0.145 56.203 56.287 0.103 0.000 0.806 333 K CB 1.568 34.021 32.500 -0.080 0.000 1.301 333 K HN 1.396 nan 8.250 nan 0.000 0.432 334 G N 1.635 110.513 108.800 0.131 0.000 2.176 334 G HA2 -0.316 3.644 3.960 0.000 0.000 0.232 334 G HA3 -0.316 3.644 3.960 0.000 0.000 0.232 334 G C 0.702 175.596 174.900 -0.011 0.000 0.986 334 G CA 0.324 45.490 45.100 0.110 0.000 0.643 334 G HN 0.544 nan 8.290 nan 0.000 0.522 335 F N 2.178 121.911 119.950 -0.363 0.000 2.065 335 F HA -0.045 4.483 4.527 0.000 0.000 0.298 335 F C 2.187 177.751 175.800 -0.393 0.000 1.112 335 F CA 2.568 60.037 58.000 -0.885 0.000 1.212 335 F CB -0.131 38.424 39.000 -0.743 0.000 0.975 335 F HN 0.163 nan 8.300 nan 0.000 0.476 336 D N 0.266 120.461 120.400 -0.342 0.000 2.123 336 D HA -0.182 4.459 4.640 0.000 0.000 0.196 336 D C 1.891 178.008 176.300 -0.304 0.000 0.992 336 D CA 1.611 55.386 54.000 -0.376 0.000 0.833 336 D CB -0.601 40.120 40.800 -0.132 0.000 0.954 336 D HN 0.369 nan 8.370 nan 0.000 0.455 337 D N 0.483 120.768 120.400 -0.191 0.000 2.144 337 D HA -0.075 4.565 4.640 0.000 0.000 0.199 337 D C 2.033 178.262 176.300 -0.119 0.000 0.984 337 D CA 1.148 55.076 54.000 -0.119 0.000 0.834 337 D CB -0.250 40.513 40.800 -0.061 0.000 0.955 337 D HN 0.143 nan 8.370 nan 0.000 0.465 338 A N 0.510 123.236 122.820 -0.157 0.000 1.930 338 A HA -0.108 4.212 4.320 0.000 0.000 0.217 338 A C 2.505 180.111 177.584 0.037 0.000 1.175 338 A CA 0.935 52.938 52.037 -0.055 0.000 0.627 338 A CB -0.662 18.297 19.000 -0.068 0.000 0.815 338 A HN 0.134 nan 8.150 nan 0.000 0.443 339 V N 0.328 120.117 119.914 -0.208 0.000 2.332 339 V HA -0.302 3.819 4.120 0.000 0.000 0.248 339 V C 2.482 178.489 176.094 -0.145 0.000 1.055 339 V CA 2.445 64.576 62.300 -0.281 0.000 1.038 339 V CB -0.633 30.809 31.823 -0.634 0.000 0.651 339 V HN 0.566 nan 8.190 nan 0.000 0.450 340 K N 0.272 120.590 120.400 -0.136 0.000 2.031 340 K HA -0.129 4.191 4.320 0.000 0.000 0.205 340 K C 2.261 178.846 176.600 -0.024 0.000 1.049 340 K CA 1.882 58.122 56.287 -0.079 0.000 0.939 340 K CB -0.613 31.840 32.500 -0.078 0.000 0.717 340 K HN 0.684 nan 8.250 nan 0.000 0.438 341 T N -0.190 114.360 114.554 -0.006 0.000 2.867 341 T HA -0.051 4.299 4.350 0.000 0.000 0.268 341 T C 1.306 176.043 174.700 0.061 0.000 1.057 341 T CA 1.121 63.237 62.100 0.026 0.000 1.136 341 T CB -0.153 68.732 68.868 0.028 0.000 0.874 341 T HN 0.014 nan 8.240 nan 0.000 0.466 342 N N 0.731 119.487 118.700 0.093 0.000 2.235 342 N HA 0.202 4.943 4.740 0.000 0.000 0.209 342 N C 0.235 175.829 175.510 0.139 0.000 1.122 342 N CA -0.166 52.973 53.050 0.147 0.000 0.845 342 N CB -0.099 38.522 38.487 0.223 0.000 1.004 342 N HN 0.468 nan 8.380 nan 0.000 0.499 343 R N 1.170 121.711 120.500 0.068 0.000 2.484 343 R HA 0.174 4.514 4.340 0.000 0.000 0.293 343 R C -0.986 175.336 176.300 0.036 0.000 1.023 343 R CA 0.101 56.216 56.100 0.025 0.000 1.037 343 R CB 0.118 30.410 30.300 -0.013 0.000 0.951 343 R HN 0.003 nan 8.270 nan 0.000 0.418 344 L N 3.475 124.713 121.223 0.025 0.000 2.588 344 L HA 0.245 4.585 4.340 0.000 0.000 0.263 344 L C -0.722 176.147 176.870 -0.001 0.000 0.935 344 L CA -0.182 54.667 54.840 0.015 0.000 0.891 344 L CB 2.115 44.179 42.059 0.008 0.000 1.318 344 L HN 0.795 nan 8.230 nan 0.000 0.409 345 S N 3.998 119.692 115.700 -0.010 0.000 2.608 345 S HA 0.335 4.806 4.470 0.000 0.000 0.261 345 S C 1.244 175.823 174.600 -0.035 0.000 1.314 345 S CA -0.573 57.618 58.200 -0.015 0.000 0.992 345 S CB 0.697 63.887 63.200 -0.016 0.000 0.935 345 S HN 0.744 nan 8.310 nan 0.000 0.564 346 L N 0.236 121.431 121.223 -0.046 0.000 2.093 346 L HA -0.086 4.254 4.340 0.000 0.000 0.208 346 L C 2.082 178.900 176.870 -0.086 0.000 1.085 346 L CA 1.315 56.098 54.840 -0.095 0.000 0.755 346 L CB -0.646 41.312 42.059 -0.167 0.000 0.904 346 L HN 0.693 nan 8.230 nan 0.000 0.435 347 D N -0.194 120.169 120.400 -0.062 0.000 2.117 347 D HA -0.206 4.434 4.640 0.000 0.000 0.197 347 D C 2.083 178.352 176.300 -0.053 0.000 0.987 347 D CA 1.065 55.033 54.000 -0.053 0.000 0.829 347 D CB 0.109 40.887 40.800 -0.036 0.000 0.961 347 D HN 0.145 nan 8.370 nan 0.000 0.460 348 E N 0.161 120.333 120.200 -0.046 0.000 2.107 348 E HA -0.100 4.250 4.350 0.000 0.000 0.191 348 E C 2.072 178.623 176.600 -0.082 0.000 0.982 348 E CA 0.392 56.766 56.400 -0.043 0.000 0.809 348 E CB -0.599 29.088 29.700 -0.021 0.000 0.756 348 E HN 0.238 nan 8.360 nan 0.000 0.459 349 C N -0.494 118.746 119.300 -0.100 0.000 2.432 349 C HA -0.097 4.363 4.460 0.000 0.000 0.277 349 C C 2.940 177.842 174.990 -0.147 0.000 1.249 349 C CA 1.758 60.686 59.018 -0.149 0.000 1.725 349 C CB -1.266 26.398 27.740 -0.126 0.000 2.028 349 C HN 0.525 nan 8.230 nan 0.000 0.477 350 S N 0.722 116.354 115.700 -0.114 0.000 2.368 350 S HA -0.160 4.311 4.470 0.000 0.000 0.225 350 S C 1.739 176.286 174.600 -0.089 0.000 1.030 350 S CA 1.994 60.132 58.200 -0.104 0.000 0.999 350 S CB -0.622 62.524 63.200 -0.090 0.000 0.844 350 S HN 0.747 nan 8.310 nan 0.000 0.459 351 N N 1.337 119.993 118.700 -0.073 0.000 2.166 351 N HA 0.008 4.748 4.740 0.000 0.000 0.186 351 N C 1.691 177.169 175.510 -0.054 0.000 1.019 351 N CA 1.483 54.502 53.050 -0.051 0.000 0.856 351 N CB -0.465 38.003 38.487 -0.031 0.000 0.993 351 N HN 0.500 nan 8.380 nan 0.000 0.426 352 I N 0.260 120.778 120.570 -0.087 0.000 2.277 352 I HA -0.176 3.995 4.170 0.000 0.000 0.243 352 I C 2.220 178.256 176.117 -0.136 0.000 1.094 352 I CA 1.339 62.577 61.300 -0.103 0.000 1.393 352 I CB -0.418 37.433 38.000 -0.248 0.000 1.078 352 I HN 0.224 nan 8.210 nan 0.000 0.417 353 T N -2.153 112.293 114.554 -0.180 0.000 3.043 353 T HA 0.161 4.511 4.350 0.000 0.000 0.263 353 T C 1.697 176.329 174.700 -0.114 0.000 1.094 353 T CA 0.678 62.676 62.100 -0.170 0.000 1.127 353 T CB 0.209 68.958 68.868 -0.199 0.000 0.905 353 T HN 0.532 nan 8.240 nan 0.000 0.490 354 G N 0.656 109.399 108.800 -0.095 0.000 2.179 354 G HA2 -0.230 3.730 3.960 0.000 0.000 0.260 354 G HA3 -0.230 3.730 3.960 0.000 0.000 0.260 354 G C 0.083 174.932 174.900 -0.085 0.000 0.977 354 G CA 0.041 45.097 45.100 -0.074 0.000 0.641 354 G HN 0.741 nan 8.290 nan 0.000 0.533 355 V N 2.157 122.009 119.914 -0.102 0.000 2.498 355 V HA 0.415 4.535 4.120 0.000 0.000 0.279 355 V C -1.449 174.587 176.094 -0.097 0.000 1.048 355 V CA -1.434 60.803 62.300 -0.106 0.000 0.967 355 V CB 1.435 33.187 31.823 -0.117 0.000 0.988 355 V HN 0.089 nan 8.190 nan 0.000 0.473 356 P HA 0.068 nan 4.420 nan 0.000 0.268 356 P C 1.057 178.299 177.300 -0.096 0.000 1.205 356 P CA 0.040 63.091 63.100 -0.080 0.000 0.771 356 P CB 0.662 32.320 31.700 -0.070 0.000 0.858 357 V N 3.046 122.904 119.914 -0.093 0.000 2.324 357 V HA -0.292 3.828 4.120 0.000 0.000 0.250 357 V C 2.027 178.045 176.094 -0.127 0.000 1.060 357 V CA 2.487 64.717 62.300 -0.117 0.000 1.042 357 V CB -1.194 30.569 31.823 -0.100 0.000 0.650 357 V HN 0.694 nan 8.190 nan 0.000 0.450 358 D N -0.304 120.040 120.400 -0.094 0.000 2.149 358 D HA -0.257 4.383 4.640 0.000 0.000 0.198 358 D C 2.046 178.278 176.300 -0.114 0.000 0.990 358 D CA 1.652 55.602 54.000 -0.083 0.000 0.839 358 D CB -0.342 40.426 40.800 -0.053 0.000 0.948 358 D HN 0.440 nan 8.370 nan 0.000 0.460 359 M N 0.029 119.552 119.600 -0.128 0.000 2.200 359 M HA -0.005 4.475 4.480 0.000 0.000 0.265 359 M C 2.581 178.774 176.300 -0.178 0.000 1.066 359 M CA 0.874 56.071 55.300 -0.171 0.000 1.127 359 M CB -0.151 32.358 32.600 -0.153 0.000 1.379 359 M HN -0.019 nan 8.290 nan 0.000 0.420 360 L N 0.010 121.147 121.223 -0.144 0.000 2.046 360 L HA -0.222 4.118 4.340 0.000 0.000 0.208 360 L C 2.402 179.198 176.870 -0.125 0.000 1.077 360 L CA 1.413 56.184 54.840 -0.114 0.000 0.747 360 L CB -0.705 41.267 42.059 -0.144 0.000 0.896 360 L HN 0.263 nan 8.230 nan 0.000 0.432 361 K N -0.216 120.062 120.400 -0.203 0.000 2.097 361 K HA -0.193 4.127 4.320 0.000 0.000 0.206 361 K C 2.276 178.898 176.600 0.035 0.000 1.049 361 K CA 1.126 57.322 56.287 -0.153 0.000 0.933 361 K CB -0.157 32.261 32.500 -0.136 0.000 0.717 361 K HN 0.188 nan 8.250 nan 0.000 0.442 362 R N 0.845 121.276 120.500 -0.115 0.000 2.075 362 R HA -0.091 4.250 4.340 0.000 0.000 0.232 362 R C 2.227 178.224 176.300 -0.505 0.000 1.126 362 R CA 1.264 57.190 56.100 -0.290 0.000 0.963 362 R CB -0.166 29.874 30.300 -0.434 0.000 0.858 362 R HN 0.175 nan 8.270 nan 0.000 0.435 363 A N 0.714 123.314 122.820 -0.368 0.000 1.902 363 A HA -0.114 4.206 4.320 0.000 0.000 0.217 363 A C 2.328 180.013 177.584 0.168 0.000 1.181 363 A CA 1.726 53.625 52.037 -0.231 0.000 0.623 363 A CB -0.763 18.209 19.000 -0.047 0.000 0.818 363 A HN 0.528 nan 8.150 nan 0.000 0.443 364 A N -0.469 122.563 122.820 0.354 0.000 1.930 364 A HA -0.143 4.178 4.320 0.000 0.000 0.217 364 A C 2.056 179.955 177.584 0.525 0.000 1.175 364 A CA 1.706 54.144 52.037 0.668 0.000 0.627 364 A CB -0.489 19.056 19.000 0.907 0.000 0.815 364 A HN 0.689 nan 8.150 nan 0.000 0.443 365 E N -1.277 119.168 120.200 0.408 0.000 2.047 365 E HA -0.221 4.129 4.350 0.000 0.000 0.191 365 E C 1.738 178.408 176.600 0.117 0.000 0.987 365 E CA 1.315 57.806 56.400 0.151 0.000 0.799 365 E CB -0.245 29.606 29.700 0.252 0.000 0.752 365 E HN 0.723 nan 8.360 nan 0.000 0.449 366 W N 0.926 122.196 121.300 -0.050 0.000 2.363 366 W HA -0.044 4.616 4.660 0.000 0.000 0.296 366 W C 2.568 178.984 176.519 -0.172 0.000 1.212 366 W CA 1.131 58.412 57.345 -0.107 0.000 1.260 366 W CB -0.777 28.628 29.460 -0.092 0.000 1.131 366 W HN 0.098 nan 8.180 nan 0.000 0.530 367 S N -2.029 113.678 115.700 0.013 0.000 2.439 367 S HA -0.045 4.425 4.470 0.000 0.000 0.224 367 S C 1.135 175.415 174.600 -0.533 0.000 1.029 367 S CA 0.921 58.901 58.200 -0.366 0.000 0.946 367 S CB -0.144 62.609 63.200 -0.744 0.000 0.797 367 S HN 0.220 nan 8.310 nan 0.000 0.504 368 Y N 0.540 120.925 120.300 0.142 0.000 2.441 368 Y HA 0.428 4.978 4.550 0.000 0.000 0.266 368 Y C 0.600 176.370 175.900 -0.216 0.000 1.093 368 Y CA -1.025 57.126 58.100 0.086 0.000 1.246 368 Y CB -0.052 38.594 38.460 0.310 0.000 1.262 368 Y HN -0.036 nan 8.280 nan 0.000 0.518 369 K N 3.319 123.367 120.400 -0.586 0.000 2.412 369 K HA 0.130 4.450 4.320 0.000 0.000 0.281 369 K C -2.666 173.606 176.600 -0.547 0.000 1.027 369 K CA -1.639 53.889 56.287 -1.266 0.000 0.989 369 K CB 0.427 31.969 32.500 -1.596 0.000 0.935 369 K HN -0.111 nan 8.250 nan 0.000 0.475 370 P HA -0.061 nan 4.420 nan 0.000 0.265 370 P C -0.875 176.307 177.300 -0.197 0.000 1.187 370 P CA 0.305 63.281 63.100 -0.206 0.000 0.766 370 P CB 0.484 32.114 31.700 -0.117 0.000 0.820 371 K N 1.724 122.018 120.400 -0.176 0.000 2.180 371 K HA 0.279 4.600 4.320 0.000 0.000 0.251 371 K C 1.457 177.974 176.600 -0.138 0.000 1.014 371 K CA -0.234 55.949 56.287 -0.174 0.000 0.913 371 K CB 0.288 32.656 32.500 -0.221 0.000 1.008 371 K HN 0.354 nan 8.250 nan 0.000 0.490 372 A N 0.984 123.731 122.820 -0.121 0.000 1.972 372 A HA -0.160 4.160 4.320 0.000 0.000 0.219 372 A C 1.952 179.486 177.584 -0.084 0.000 1.169 372 A CA 2.072 54.056 52.037 -0.087 0.000 0.635 372 A CB -0.671 18.286 19.000 -0.072 0.000 0.810 372 A HN 0.739 nan 8.150 nan 0.000 0.446 373 S N -2.229 113.403 115.700 -0.113 0.000 2.603 373 S HA 0.352 4.823 4.470 0.000 0.000 0.229 373 S C 1.458 176.004 174.600 -0.091 0.000 0.972 373 S CA 1.112 59.251 58.200 -0.102 0.000 0.935 373 S CB -0.146 62.973 63.200 -0.134 0.000 0.769 373 S HN 1.804 nan 8.310 nan 0.000 0.536 374 G N 0.039 108.783 108.800 -0.094 0.000 2.339 374 G HA2 -0.204 3.756 3.960 0.000 0.000 0.209 374 G HA3 -0.204 3.756 3.960 0.000 0.000 0.209 374 G C -0.133 174.717 174.900 -0.083 0.000 1.015 374 G CA -0.285 44.773 45.100 -0.071 0.000 0.635 374 G HN 0.558 nan 8.290 nan 0.000 0.499 375 Q N 1.197 120.922 119.800 -0.126 0.000 2.306 375 Q HA 0.733 5.073 4.340 0.000 0.000 0.241 375 Q C 0.571 176.486 176.000 -0.142 0.000 0.948 375 Q CA 0.455 56.174 55.803 -0.139 0.000 0.886 375 Q CB 1.230 29.845 28.738 -0.204 0.000 1.227 375 Q HN 0.952 nan 8.270 nan 0.000 0.457 376 A N 2.729 125.484 122.820 -0.109 0.000 2.407 376 A HA 0.440 4.760 4.320 0.000 0.000 0.248 376 A C -2.162 175.357 177.584 -0.108 0.000 1.082 376 A CA -1.188 50.802 52.037 -0.078 0.000 0.785 376 A CB -0.346 18.649 19.000 -0.009 0.000 1.020 376 A HN 0.499 nan 8.150 nan 0.000 0.489 377 P HA 0.179 nan 4.420 nan 0.000 0.269 377 P C -0.622 176.649 177.300 -0.047 0.000 1.215 377 P CA 0.038 63.084 63.100 -0.089 0.000 0.780 377 P CB 0.414 32.066 31.700 -0.081 0.000 0.898 378 R N 1.082 121.558 120.500 -0.039 0.000 2.205 378 R HA 0.374 4.714 4.340 0.000 0.000 0.342 378 R C -0.398 175.908 176.300 0.010 0.000 1.058 378 R CA -0.036 56.054 56.100 -0.017 0.000 0.904 378 R CB 0.169 30.464 30.300 -0.007 0.000 1.089 378 R HN 0.391 nan 8.270 nan 0.000 0.471 379 T N 4.134 118.721 114.554 0.055 0.000 2.833 379 T HA 0.226 4.576 4.350 0.000 0.000 0.297 379 T C -0.278 174.468 174.700 0.077 0.000 1.015 379 T CA -0.534 61.588 62.100 0.037 0.000 0.963 379 T CB 1.042 69.936 68.868 0.044 0.000 0.955 379 T HN 0.391 nan 8.240 nan 0.000 0.449 380 M N 4.082 123.680 119.600 -0.004 0.000 2.146 380 M HA 0.311 4.791 4.480 0.000 0.000 0.357 380 M C -0.992 175.321 176.300 0.022 0.000 1.261 380 M CA -0.300 55.031 55.300 0.051 0.000 1.106 380 M CB 0.197 32.767 32.600 -0.051 0.000 1.612 380 M HN 0.606 nan 8.290 nan 0.000 0.470 381 H N 3.991 123.117 119.070 0.092 0.000 2.661 381 H HA 0.551 5.107 4.556 0.000 0.000 0.290 381 H C -0.541 174.914 175.328 0.211 0.000 1.082 381 H CA -0.358 55.770 56.048 0.134 0.000 1.234 381 H CB 0.822 30.582 29.762 -0.003 0.000 1.387 381 H HN 0.735 nan 8.280 nan 0.000 0.476 382 A N 3.658 126.668 122.820 0.316 0.000 2.305 382 A HA 0.623 4.944 4.320 0.000 0.000 0.322 382 A C -1.082 176.717 177.584 0.359 0.000 1.187 382 A CA -0.667 51.547 52.037 0.295 0.000 0.825 382 A CB 0.201 19.424 19.000 0.370 0.000 1.164 382 A HN 0.722 nan 8.150 nan 0.000 0.498 383 Y N -0.618 119.818 120.300 0.227 0.000 2.588 383 Y HA 0.884 5.434 4.550 0.000 0.000 0.343 383 Y C -0.295 175.689 175.900 0.141 0.000 1.065 383 Y CA -0.951 57.264 58.100 0.192 0.000 1.038 383 Y CB 1.224 39.765 38.460 0.134 0.000 1.297 383 Y HN 0.647 nan 8.280 nan 0.000 0.467 384 E N 0.237 120.589 120.200 0.254 0.000 3.611 384 E HA 0.410 4.760 4.350 0.000 0.000 0.111 384 E C 0.417 177.064 176.600 0.078 0.000 1.120 384 E CA -0.332 56.126 56.400 0.096 0.000 0.766 384 E CB 0.352 30.071 29.700 0.031 0.000 1.996 384 E HN 0.453 nan 8.360 nan 0.000 0.453 385 K N 0.200 120.577 120.400 -0.038 0.000 2.365 385 K HA 0.135 4.455 4.320 0.000 0.000 0.199 385 K C 1.628 178.304 176.600 0.126 0.000 1.045 385 K CA 0.928 57.129 56.287 -0.143 0.000 0.962 385 K CB -0.451 31.884 32.500 -0.276 0.000 0.759 385 K HN 0.492 nan 8.250 nan 0.000 0.469 386 G N 1.729 110.658 108.800 0.214 0.000 2.448 386 G HA2 -0.184 3.776 3.960 0.000 0.000 0.219 386 G HA3 -0.184 3.776 3.960 0.000 0.000 0.219 386 G C 1.547 176.642 174.900 0.325 0.000 1.127 386 G CA 0.882 46.170 45.100 0.314 0.000 0.766 386 G HN 0.461 nan 8.290 nan 0.000 0.552 387 I N -3.197 117.533 120.570 0.267 0.000 3.616 387 I HA 0.347 4.518 4.170 0.000 0.000 0.296 387 I C 2.327 178.554 176.117 0.183 0.000 1.226 387 I CA -0.060 61.377 61.300 0.230 0.000 1.394 387 I CB -0.053 38.063 38.000 0.194 0.000 1.171 387 I HN -0.043 nan 8.210 nan 0.000 0.442 388 I N 0.709 121.346 120.570 0.113 0.000 2.286 388 I HA -0.200 3.971 4.170 0.000 0.000 0.248 388 I C 1.213 177.460 176.117 0.217 0.000 1.115 388 I CA 2.016 63.317 61.300 0.002 0.000 1.392 388 I CB -0.168 37.656 38.000 -0.293 0.000 1.065 388 I HN 0.358 nan 8.210 nan 0.000 0.418 389 W N 0.991 122.457 121.300 0.277 0.000 3.086 389 W HA 0.352 5.012 4.660 0.000 0.000 0.436 389 W C 1.068 177.849 176.519 0.437 0.000 0.939 389 W CA -0.905 56.667 57.345 0.378 0.000 2.108 389 W CB 0.023 29.746 29.460 0.439 0.000 1.093 389 W HN -0.043 nan 8.180 nan 0.000 0.783 390 G N 0.752 109.846 108.800 0.490 0.000 2.543 390 G HA2 -0.028 3.932 3.960 0.000 0.000 0.267 390 G HA3 -0.028 3.932 3.960 0.000 0.000 0.267 390 G C -0.434 174.274 174.900 -0.320 0.000 1.406 390 G CA -0.664 44.601 45.100 0.275 0.000 1.048 390 G HN -0.006 nan 8.290 nan 0.000 0.548 391 N N 0.994 119.272 118.700 -0.704 0.000 2.549 391 N HA 0.136 4.876 4.740 0.000 0.000 0.267 391 N C -0.383 174.998 175.510 -0.215 0.000 1.182 391 N CA 0.171 52.655 53.050 -0.943 0.000 1.019 391 N CB -0.297 37.856 38.487 -0.556 0.000 1.380 391 N HN 0.439 nan 8.380 nan 0.000 0.505 392 D N 1.697 122.123 120.400 0.044 0.000 3.639 392 D HA -0.187 4.454 4.640 0.000 0.000 0.253 392 D C 0.819 177.261 176.300 0.237 0.000 1.049 392 D CA 0.173 54.357 54.000 0.306 0.000 1.059 392 D CB -1.076 39.878 40.800 0.256 0.000 0.953 392 D HN 0.692 nan 8.370 nan 0.000 0.420 393 N N 1.421 120.280 118.700 0.264 0.000 2.069 393 N HA -0.290 4.450 4.740 0.000 0.000 0.196 393 N C 1.668 177.284 175.510 0.177 0.000 1.024 393 N CA 2.204 55.383 53.050 0.214 0.000 0.869 393 N CB -0.459 38.185 38.487 0.261 0.000 1.035 393 N HN 0.674 nan 8.380 nan 0.000 0.434 394 Y N 1.027 121.391 120.300 0.107 0.000 2.181 394 Y HA -0.132 4.418 4.550 0.000 0.000 0.288 394 Y C 2.540 178.471 175.900 0.052 0.000 1.146 394 Y CA 1.624 59.769 58.100 0.074 0.000 1.164 394 Y CB -0.278 38.224 38.460 0.071 0.000 0.982 394 Y HN -0.067 nan 8.280 nan 0.000 0.515 395 V N 0.166 120.221 119.914 0.236 0.000 2.379 395 V HA -0.295 3.825 4.120 0.000 0.000 0.245 395 V C 2.269 178.406 176.094 0.072 0.000 1.044 395 V CA 1.962 64.358 62.300 0.159 0.000 1.036 395 V CB -0.555 31.392 31.823 0.207 0.000 0.664 395 V HN 0.407 nan 8.190 nan 0.000 0.453 396 I N -0.348 120.274 120.570 0.086 0.000 2.226 396 I HA -0.301 3.869 4.170 0.000 0.000 0.245 396 I C 2.681 178.756 176.117 -0.070 0.000 1.100 396 I CA 1.616 62.962 61.300 0.075 0.000 1.374 396 I CB -0.432 37.633 38.000 0.108 0.000 1.057 396 I HN 0.363 nan 8.210 nan 0.000 0.413 397 Q N 0.177 119.876 119.800 -0.168 0.000 2.119 397 Q HA -0.150 4.191 4.340 0.000 0.000 0.201 397 Q C 2.476 178.279 176.000 -0.328 0.000 0.972 397 Q CA 1.637 57.248 55.803 -0.320 0.000 0.847 397 Q CB -0.079 28.458 28.738 -0.334 0.000 0.903 397 Q HN 0.449 nan 8.270 nan 0.000 0.433 398 S N 0.910 116.434 115.700 -0.293 0.000 2.359 398 S HA -0.213 4.258 4.470 0.000 0.000 0.224 398 S C 2.050 176.516 174.600 -0.224 0.000 1.035 398 S CA 1.227 59.268 58.200 -0.266 0.000 1.018 398 S CB -0.286 62.802 63.200 -0.185 0.000 0.876 398 S HN 0.515 nan 8.310 nan 0.000 0.448 399 A N 1.154 123.889 122.820 -0.143 0.000 1.877 399 A HA -0.032 4.289 4.320 0.000 0.000 0.216 399 A C 2.146 179.601 177.584 -0.215 0.000 1.186 399 A CA 1.446 53.423 52.037 -0.101 0.000 0.620 399 A CB -0.723 18.332 19.000 0.091 0.000 0.822 399 A HN 0.420 nan 8.150 nan 0.000 0.443 400 L N -0.619 120.377 121.223 -0.378 0.000 2.017 400 L HA -0.074 4.266 4.340 0.000 0.000 0.208 400 L C 2.075 178.612 176.870 -0.556 0.000 1.073 400 L CA 1.567 55.968 54.840 -0.732 0.000 0.745 400 L CB -0.409 41.062 42.059 -0.980 0.000 0.894 400 L HN 0.256 nan 8.230 nan 0.000 0.432 401 L N -0.456 120.490 121.223 -0.462 0.000 2.141 401 L HA -0.169 4.171 4.340 0.000 0.000 0.209 401 L C 2.208 178.814 176.870 -0.441 0.000 1.094 401 L CA 1.408 55.993 54.840 -0.425 0.000 0.763 401 L CB -1.505 40.324 42.059 -0.383 0.000 0.908 401 L HN 0.362 nan 8.230 nan 0.000 0.437 402 D N -0.304 119.837 120.400 -0.432 0.000 2.097 402 D HA -0.204 4.437 4.640 0.000 0.000 0.195 402 D C 2.164 178.279 176.300 -0.309 0.000 0.989 402 D CA 0.919 54.660 54.000 -0.432 0.000 0.827 402 D CB -0.105 40.298 40.800 -0.660 0.000 0.966 402 D HN 0.169 nan 8.370 nan 0.000 0.456 403 L N 0.679 121.711 121.223 -0.318 0.000 2.012 403 L HA -0.148 4.192 4.340 0.000 0.000 0.210 403 L C 2.223 178.977 176.870 -0.194 0.000 1.073 403 L CA 1.402 56.184 54.840 -0.096 0.000 0.748 403 L CB -0.523 41.457 42.059 -0.130 0.000 0.891 403 L HN -0.120 nan 8.230 nan 0.000 0.431 404 V N -0.152 119.539 119.914 -0.371 0.000 2.343 404 V HA -0.294 3.826 4.120 0.000 0.000 0.247 404 V C 2.504 178.496 176.094 -0.170 0.000 1.051 404 V CA 2.189 64.249 62.300 -0.400 0.000 1.036 404 V CB -0.458 31.060 31.823 -0.509 0.000 0.654 404 V HN 0.449 nan 8.190 nan 0.000 0.451 405 I N 0.459 120.912 120.570 -0.195 0.000 2.252 405 I HA -0.202 3.968 4.170 0.000 0.000 0.245 405 I C 2.621 178.868 176.117 0.217 0.000 1.102 405 I CA 1.444 62.676 61.300 -0.112 0.000 1.385 405 I CB -0.575 37.051 38.000 -0.624 0.000 1.064 405 I HN 0.269 nan 8.210 nan 0.000 0.414 406 A N 0.393 123.416 122.820 0.339 0.000 2.019 406 A HA -0.186 4.134 4.320 0.000 0.000 0.219 406 A C 2.175 179.924 177.584 0.276 0.000 1.164 406 A CA 2.155 54.483 52.037 0.486 0.000 0.644 406 A CB -0.960 18.477 19.000 0.727 0.000 0.805 406 A HN 0.528 nan 8.150 nan 0.000 0.449 407 T N -5.346 109.311 114.554 0.173 0.000 3.145 407 T HA 0.210 4.560 4.350 0.000 0.000 0.255 407 T C 0.400 175.196 174.700 0.161 0.000 1.039 407 T CA 0.567 62.761 62.100 0.155 0.000 0.928 407 T CB -0.788 68.140 68.868 0.101 0.000 1.029 407 T HN 0.679 nan 8.240 nan 0.000 0.554 408 H N 0.937 119.961 119.070 -0.076 0.000 2.713 408 H HA -0.144 4.413 4.556 0.000 0.000 0.311 408 H C -0.338 174.848 175.328 -0.235 0.000 1.175 408 H CA 0.168 55.952 56.048 -0.439 0.000 1.143 408 H CB -1.322 28.112 29.762 -0.547 0.000 1.434 408 H HN 0.324 nan 8.280 nan 0.000 0.418 409 N N 0.793 119.512 118.700 0.031 0.000 2.378 409 N HA 0.118 4.858 4.740 0.000 0.000 0.243 409 N C -0.423 175.133 175.510 0.076 0.000 1.137 409 N CA 0.827 53.915 53.050 0.062 0.000 0.862 409 N CB 0.755 39.346 38.487 0.174 0.000 1.116 409 N HN 0.286 nan 8.380 nan 0.000 0.499 410 V N -4.832 115.141 119.914 0.098 0.000 2.841 410 V HA 0.839 4.959 4.120 0.000 0.000 0.310 410 V C 1.040 177.260 176.094 0.210 0.000 1.090 410 V CA -0.501 61.915 62.300 0.195 0.000 0.930 410 V CB 1.383 33.382 31.823 0.293 0.000 1.014 410 V HN 0.160 nan 8.190 nan 0.000 0.425 411 G N 2.834 111.751 108.800 0.196 0.000 2.225 411 G HA2 -0.216 3.745 3.960 0.000 0.000 0.254 411 G HA3 -0.216 3.745 3.960 0.000 0.000 0.254 411 G C 0.369 175.296 174.900 0.044 0.000 0.988 411 G CA 0.442 45.625 45.100 0.139 0.000 0.625 411 G HN 0.887 nan 8.290 nan 0.000 0.527 412 R N 0.428 120.911 120.500 -0.029 0.000 2.474 412 R HA 0.524 4.864 4.340 0.000 0.000 0.295 412 R C 0.266 176.563 176.300 -0.004 0.000 0.980 412 R CA -1.080 54.966 56.100 -0.089 0.000 0.934 412 R CB 0.712 30.855 30.300 -0.261 0.000 1.101 412 R HN 0.047 nan 8.270 nan 0.000 0.469 413 R N 0.414 120.948 120.500 0.057 0.000 2.679 413 R HA 0.073 4.413 4.340 0.000 0.000 0.268 413 R C 1.118 177.466 176.300 0.080 0.000 1.044 413 R CA 0.624 56.790 56.100 0.111 0.000 1.105 413 R CB -0.062 30.377 30.300 0.231 0.000 0.989 413 R HN 1.033 nan 8.270 nan 0.000 0.447 414 G N 0.236 109.084 108.800 0.080 0.000 2.159 414 G HA2 -0.317 3.643 3.960 0.000 0.000 0.256 414 G HA3 -0.317 3.643 3.960 0.000 0.000 0.256 414 G C 0.389 175.310 174.900 0.036 0.000 0.977 414 G CA 0.902 46.032 45.100 0.051 0.000 0.652 414 G HN 0.892 nan 8.290 nan 0.000 0.531 415 T N -3.046 111.541 114.554 0.054 0.000 2.572 415 T HA 0.964 5.314 4.350 0.000 0.000 0.244 415 T C 0.682 175.455 174.700 0.120 0.000 0.860 415 T CA 0.318 62.468 62.100 0.083 0.000 1.125 415 T CB 1.968 70.876 68.868 0.068 0.000 1.491 415 T HN 2.290 nan 8.240 nan 0.000 0.532 416 G N -1.186 107.708 108.800 0.155 0.000 2.465 416 G HA2 0.277 4.238 3.960 0.000 0.000 0.681 416 G HA3 0.277 4.238 3.960 0.000 0.000 0.681 416 G C -0.717 174.306 174.900 0.204 0.000 1.340 416 G CA -0.485 44.721 45.100 0.177 0.000 0.884 416 G HN 1.541 nan 8.290 nan 0.000 0.650 417 C N 2.626 122.042 119.300 0.192 0.000 2.386 417 C HA 0.812 5.273 4.460 0.000 0.000 0.318 417 C C 0.269 175.424 174.990 0.275 0.000 1.128 417 C CA 0.246 59.395 59.018 0.218 0.000 1.438 417 C CB -0.690 27.093 27.740 0.071 0.000 1.987 417 C HN 1.850 nan 8.230 nan 0.000 0.426 418 V N 4.068 124.110 119.914 0.212 0.000 2.823 418 V HA 0.668 4.789 4.120 0.000 0.000 0.312 418 V C -0.213 175.605 176.094 -0.460 0.000 1.072 418 V CA -0.946 61.370 62.300 0.027 0.000 0.937 418 V CB 1.436 33.331 31.823 0.120 0.000 1.013 418 V HN 0.807 nan 8.190 nan 0.000 0.430 419 R N 2.590 122.761 120.500 -0.548 0.000 2.643 419 R HA 0.328 4.668 4.340 0.000 0.000 0.270 419 R C 0.832 177.015 176.300 -0.194 0.000 1.061 419 R CA -0.476 55.224 56.100 -0.666 0.000 1.107 419 R CB 0.757 30.894 30.300 -0.271 0.000 0.999 419 R HN 0.752 nan 8.270 nan 0.000 0.460 420 M N 0.998 120.534 119.600 -0.107 0.000 2.447 420 M HA 0.087 4.567 4.480 0.000 0.000 0.264 420 M C 0.864 177.227 176.300 0.106 0.000 1.095 420 M CA 0.867 56.230 55.300 0.106 0.000 1.125 420 M CB -0.640 32.031 32.600 0.119 0.000 1.389 420 M HN 0.942 nan 8.290 nan 0.000 0.459 421 G N -0.884 107.938 108.800 0.035 0.000 2.699 421 G HA2 0.014 3.975 3.960 0.000 0.000 0.686 421 G HA3 0.014 3.975 3.960 0.000 0.000 0.686 421 G C 0.110 175.054 174.900 0.074 0.000 1.301 421 G CA -0.359 44.783 45.100 0.071 0.000 0.816 421 G HN 0.457 nan 8.290 nan 0.000 0.595 422 G N -0.707 108.155 108.800 0.102 0.000 2.463 422 G HA2 0.535 4.496 3.960 0.000 0.000 0.211 422 G HA3 0.535 4.496 3.960 0.000 0.000 0.211 422 G C 0.434 175.410 174.900 0.127 0.000 1.881 422 G CA 0.543 45.685 45.100 0.071 0.000 0.722 422 G HN 0.941 nan 8.290 nan 0.000 0.709 423 H N 0.468 119.659 119.070 0.202 0.000 2.581 423 H HA 0.477 5.034 4.556 0.000 0.000 0.369 423 H C 0.483 175.919 175.328 0.180 0.000 1.351 423 H CA -0.168 56.007 56.048 0.213 0.000 1.434 423 H CB 0.583 30.299 29.762 -0.077 0.000 1.558 423 H HN 0.269 nan 8.280 nan 0.000 0.608 424 Q N 0.436 120.419 119.800 0.305 0.000 2.584 424 Q HA 0.097 4.437 4.340 0.000 0.000 0.218 424 Q C -0.231 175.884 176.000 0.191 0.000 1.079 424 Q CA -0.170 55.749 55.803 0.193 0.000 1.008 424 Q CB 0.575 29.386 28.738 0.122 0.000 1.267 424 Q HN 0.509 nan 8.270 nan 0.000 0.586 425 E N -0.672 119.596 120.200 0.114 0.000 2.221 425 E HA 0.546 4.896 4.350 0.000 0.000 0.268 425 E C -0.678 175.830 176.600 -0.154 0.000 0.933 425 E CA -0.473 55.981 56.400 0.089 0.000 0.809 425 E CB 1.880 31.660 29.700 0.135 0.000 1.190 425 E HN 0.808 nan 8.360 nan 0.000 0.406 426 G N 2.173 110.812 108.800 -0.268 0.000 4.809 426 G HA2 0.038 3.998 3.960 0.000 0.000 0.225 426 G HA3 0.038 3.998 3.960 0.000 0.000 0.225 426 G C -1.472 173.118 174.900 -0.516 0.000 1.929 426 G CA -0.525 43.856 45.100 -1.199 0.000 0.616 426 G HN 0.348 nan 8.290 nan 0.000 0.286 427 Y N 1.876 122.164 120.300 -0.020 0.000 2.353 427 Y HA 0.649 5.199 4.550 0.001 0.000 0.340 427 Y C -0.320 175.897 175.900 0.529 0.000 0.972 427 Y CA -0.038 58.234 58.100 0.287 0.000 1.157 427 Y CB 1.815 40.428 38.460 0.254 0.000 1.157 427 Y HN 0.098 nan 8.280 nan 0.000 0.495 428 T N 7.493 122.175 114.554 0.213 0.000 3.050 428 T HA 0.546 4.896 4.350 0.000 0.000 0.310 428 T C -0.826 173.971 174.700 0.161 0.000 0.978 428 T CA -0.773 61.483 62.100 0.260 0.000 1.013 428 T CB 0.716 69.782 68.868 0.330 0.000 1.000 428 T HN 0.616 nan 8.240 nan 0.000 0.447 429 R N 2.418 123.008 120.500 0.150 0.000 2.734 429 R HA 0.520 4.860 4.340 0.000 0.000 0.271 429 R C -3.063 173.511 176.300 0.457 0.000 1.021 429 R CA -2.081 54.178 56.100 0.264 0.000 0.893 429 R CB 2.190 32.440 30.300 -0.084 0.000 1.244 429 R HN 0.308 nan 8.270 nan 0.000 0.464 430 P HA 0.222 nan 4.420 nan 0.000 0.277 430 P C -2.520 174.980 177.300 0.334 0.000 1.271 430 P CA -1.413 61.904 63.100 0.363 0.000 0.795 430 P CB 0.123 31.965 31.700 0.236 0.000 1.101 431 P HA 0.025 nan 4.420 nan 0.000 0.272 431 P C -0.832 176.336 177.300 -0.221 0.000 1.223 431 P CA 0.048 63.202 63.100 0.090 0.000 0.784 431 P CB 0.032 31.765 31.700 0.053 0.000 0.923 432 Y N 4.976 124.979 120.300 -0.495 0.000 2.544 432 Y HA 0.128 4.678 4.550 0.000 0.000 0.330 432 Y C -1.516 174.003 175.900 -0.636 0.000 1.136 432 Y CA -1.958 55.490 58.100 -1.087 0.000 1.417 432 Y CB -0.022 38.095 38.460 -0.571 0.000 1.229 432 Y HN 0.313 nan 8.280 nan 0.000 0.532 433 P HA 0.252 nan 4.420 nan 0.000 0.228 433 P C -0.423 176.433 177.300 -0.740 0.000 1.748 433 P CA 0.387 63.061 63.100 -0.709 0.000 0.909 433 P CB -0.230 31.174 31.700 -0.492 0.000 1.882 434 G N -0.158 108.211 108.800 -0.718 0.000 2.576 434 G HA2 0.247 4.207 3.960 0.000 0.000 0.290 434 G HA3 0.247 4.207 3.960 0.000 0.000 0.290 434 G C -0.722 174.162 174.900 -0.026 0.000 1.442 434 G CA -0.407 44.465 45.100 -0.379 0.000 0.792 434 G HN -0.062 nan 8.290 nan 0.000 0.491 435 D N -0.514 119.906 120.400 0.033 0.000 2.474 435 D HA 0.133 4.773 4.640 0.000 0.000 0.213 435 D C 0.417 176.772 176.300 0.092 0.000 1.120 435 D CA 0.467 54.509 54.000 0.071 0.000 0.836 435 D CB 1.079 41.893 40.800 0.023 0.000 1.019 435 D HN 0.243 nan 8.370 nan 0.000 0.507 436 K N 1.614 122.086 120.400 0.120 0.000 2.156 436 K HA 0.257 4.578 4.320 0.000 0.000 0.250 436 K C 0.175 176.852 176.600 0.129 0.000 0.955 436 K CA -0.808 55.537 56.287 0.097 0.000 0.855 436 K CB 1.702 34.246 32.500 0.073 0.000 1.101 436 K HN -0.221 nan 8.250 nan 0.000 0.434 437 K N 3.014 123.452 120.400 0.064 0.000 2.234 437 K HA 0.348 4.668 4.320 0.000 0.000 0.277 437 K C -0.550 176.092 176.600 0.069 0.000 1.038 437 K CA -0.127 56.181 56.287 0.036 0.000 0.888 437 K CB 0.438 32.923 32.500 -0.025 0.000 1.091 437 K HN 0.518 nan 8.250 nan 0.000 0.467 438 I N 3.464 124.095 120.570 0.102 0.000 2.382 438 I HA 0.179 4.350 4.170 0.000 0.000 0.286 438 I C -0.492 175.742 176.117 0.195 0.000 1.002 438 I CA -1.109 60.277 61.300 0.143 0.000 1.135 438 I CB 1.358 39.441 38.000 0.138 0.000 1.288 438 I HN 0.587 nan 8.210 nan 0.000 0.448 439 Y N 6.898 127.237 120.300 0.064 0.000 2.573 439 Y HA 0.116 4.666 4.550 0.000 0.000 0.346 439 Y C 1.341 177.317 175.900 0.127 0.000 1.198 439 Y CA -0.725 57.416 58.100 0.068 0.000 1.627 439 Y CB 0.491 38.973 38.460 0.036 0.000 1.457 439 Y HN 0.584 nan 8.280 nan 0.000 0.483 440 I N 3.197 124.015 120.570 0.414 0.000 2.151 440 I HA -0.333 3.838 4.170 0.000 0.000 0.243 440 I C 1.597 177.940 176.117 0.376 0.000 1.080 440 I CA 1.410 62.940 61.300 0.384 0.000 1.339 440 I CB -0.813 37.387 38.000 0.333 0.000 1.039 440 I HN 0.631 nan 8.210 nan 0.000 0.409 441 D N 0.437 121.060 120.400 0.373 0.000 2.123 441 D HA -0.181 4.459 4.640 0.000 0.000 0.196 441 D C 2.274 178.611 176.300 0.061 0.000 0.992 441 D CA 0.924 55.076 54.000 0.254 0.000 0.833 441 D CB -0.256 40.715 40.800 0.285 0.000 0.954 441 D HN 0.327 nan 8.370 nan 0.000 0.455 442 Q N 0.318 120.011 119.800 -0.179 0.000 2.124 442 Q HA -0.114 4.226 4.340 0.000 0.000 0.202 442 Q C 1.990 177.967 176.000 -0.038 0.000 0.977 442 Q CA 0.875 56.522 55.803 -0.260 0.000 0.850 442 Q CB -0.103 28.292 28.738 -0.571 0.000 0.901 442 Q HN 0.401 nan 8.270 nan 0.000 0.429 443 E N 0.588 120.842 120.200 0.089 0.000 2.077 443 E HA -0.095 4.256 4.350 0.000 0.000 0.193 443 E C 2.286 178.936 176.600 0.084 0.000 0.989 443 E CA 0.582 57.081 56.400 0.164 0.000 0.800 443 E CB -0.244 29.680 29.700 0.373 0.000 0.746 443 E HN 0.340 nan 8.360 nan 0.000 0.452 444 L N 0.429 121.698 121.223 0.077 0.000 2.046 444 L HA -0.137 4.203 4.340 0.000 0.000 0.208 444 L C 2.565 179.428 176.870 -0.012 0.000 1.077 444 L CA 0.856 55.664 54.840 -0.053 0.000 0.747 444 L CB -0.401 41.666 42.059 0.014 0.000 0.896 444 L HN 0.076 nan 8.230 nan 0.000 0.432 445 I N -0.158 120.424 120.570 0.021 0.000 2.286 445 I HA -0.285 3.885 4.170 0.000 0.000 0.248 445 I C 2.100 178.213 176.117 -0.006 0.000 1.115 445 I CA 1.410 62.716 61.300 0.010 0.000 1.392 445 I CB -0.210 37.791 38.000 0.001 0.000 1.065 445 I HN 0.198 nan 8.210 nan 0.000 0.418 446 K N 0.555 120.950 120.400 -0.008 0.000 2.525 446 K HA 0.096 4.416 4.320 0.000 0.000 0.192 446 K C 1.163 177.755 176.600 -0.013 0.000 1.029 446 K CA 0.660 56.943 56.287 -0.006 0.000 1.029 446 K CB 0.213 32.716 32.500 0.005 0.000 0.814 446 K HN 0.494 nan 8.250 nan 0.000 0.503 447 G N 1.252 110.033 108.800 -0.031 0.000 2.159 447 G HA2 -0.190 3.771 3.960 0.000 0.000 0.227 447 G HA3 -0.190 3.771 3.960 0.000 0.000 0.227 447 G C -0.170 174.682 174.900 -0.079 0.000 0.986 447 G CA -0.349 44.721 45.100 -0.050 0.000 0.651 447 G HN 0.029 nan 8.290 nan 0.000 0.523 448 K N 0.768 121.114 120.400 -0.090 0.000 2.126 448 K HA 0.643 4.963 4.320 0.000 0.000 0.257 448 K C 0.891 177.265 176.600 -0.376 0.000 1.007 448 K CA 0.563 56.790 56.287 -0.100 0.000 0.928 448 K CB 0.785 33.343 32.500 0.096 0.000 1.013 448 K HN 1.683 nan 8.250 nan 0.000 0.473 449 G N 1.118 109.768 108.800 -0.250 0.000 2.705 449 G HA2 -0.186 3.774 3.960 0.000 0.000 0.686 449 G HA3 -0.186 3.774 3.960 0.000 0.000 0.686 449 G C 0.191 174.968 174.900 -0.205 0.000 1.285 449 G CA -0.597 44.298 45.100 -0.342 0.000 0.800 449 G HN 0.459 nan 8.290 nan 0.000 0.611 450 R N 0.232 120.686 120.500 -0.077 0.000 2.167 450 R HA 0.346 4.686 4.340 0.000 0.000 0.201 450 R C 1.314 177.605 176.300 -0.015 0.000 1.024 450 R CA 0.915 56.975 56.100 -0.065 0.000 1.053 450 R CB 0.356 30.651 30.300 -0.008 0.000 0.987 450 R HN 0.721 nan 8.270 nan 0.000 0.493 451 I N 0.967 121.536 120.570 -0.002 0.000 2.582 451 I HA 0.396 4.566 4.170 0.000 0.000 0.292 451 I C -1.560 174.526 176.117 -0.051 0.000 1.066 451 I CA -1.171 60.154 61.300 0.041 0.000 1.053 451 I CB 2.006 40.013 38.000 0.012 0.000 1.241 451 I HN -0.124 nan 8.210 nan 0.000 0.421 452 M N 6.773 126.332 119.600 -0.068 0.000 2.259 452 M HA 0.498 4.978 4.480 0.000 0.000 0.304 452 M C -1.578 174.587 176.300 -0.225 0.000 1.019 452 M CA 0.005 55.172 55.300 -0.221 0.000 0.922 452 M CB 1.728 34.131 32.600 -0.327 0.000 1.600 452 M HN 0.475 nan 8.290 nan 0.000 0.433 453 T N 4.783 119.148 114.554 -0.316 0.000 2.786 453 T HA 0.429 4.779 4.350 0.000 0.000 0.283 453 T C -1.370 173.291 174.700 -0.065 0.000 0.992 453 T CA -0.289 61.753 62.100 -0.097 0.000 0.954 453 T CB 0.651 69.519 68.868 -0.000 0.000 0.934 453 T HN 0.558 nan 8.240 nan 0.000 0.440 454 W N 3.578 124.976 121.300 0.163 0.000 2.331 454 W HA 0.317 4.977 4.660 0.000 0.000 0.306 454 W C -0.801 175.883 176.519 0.276 0.000 1.162 454 W CA -0.875 56.601 57.345 0.218 0.000 1.232 454 W CB 1.289 30.804 29.460 0.091 0.000 1.235 454 W HN 0.554 nan 8.180 nan 0.000 0.479 455 W N 3.875 125.398 121.300 0.370 0.000 2.393 455 W HA 0.377 5.038 4.660 0.001 0.000 0.315 455 W C 0.811 177.583 176.519 0.422 0.000 1.009 455 W CA -1.270 56.281 57.345 0.343 0.000 1.313 455 W CB 1.072 30.714 29.460 0.304 0.000 1.269 455 W HN 0.736 nan 8.180 nan 0.000 0.420 456 G N 3.177 112.375 108.800 0.664 0.000 2.198 456 G HA2 -0.210 3.750 3.960 0.000 0.000 0.260 456 G HA3 -0.210 3.750 3.960 0.000 0.000 0.260 456 G C -0.079 175.057 174.900 0.393 0.000 1.025 456 G CA 0.467 45.838 45.100 0.453 0.000 0.769 456 G HN 1.322 nan 8.290 nan 0.000 0.507 457 C N -2.346 117.197 119.300 0.404 0.000 3.321 457 C HA 0.868 5.328 4.460 0.000 0.000 0.329 457 C C -0.496 174.665 174.990 0.285 0.000 1.394 457 C CA -1.085 58.170 59.018 0.395 0.000 1.291 457 C CB 2.011 30.081 27.740 0.550 0.000 1.606 457 C HN 0.791 nan 8.230 nan 0.000 0.463 458 N N 0.286 119.106 118.700 0.200 0.000 2.707 458 N HA 0.283 5.023 4.740 0.000 0.000 0.249 458 N C -0.176 175.345 175.510 0.018 0.000 1.299 458 N CA -0.233 52.807 53.050 -0.016 0.000 0.769 458 N CB -0.084 38.389 38.487 -0.024 0.000 1.236 458 N HN 0.837 nan 8.380 nan 0.000 0.524 459 N N 0.962 119.649 118.700 -0.022 0.000 2.512 459 N HA 0.028 4.769 4.740 0.000 0.000 0.183 459 N C 0.818 176.445 175.510 0.194 0.000 1.073 459 N CA 0.479 53.641 53.050 0.187 0.000 0.911 459 N CB 0.140 38.911 38.487 0.474 0.000 0.964 459 N HN 0.451 nan 8.380 nan 0.000 0.447 460 F N 1.088 120.888 119.950 -0.249 0.000 2.216 460 F HA -0.158 4.369 4.527 0.001 0.000 0.300 460 F C 2.328 178.073 175.800 -0.090 0.000 1.085 460 F CA 0.751 58.639 58.000 -0.187 0.000 1.326 460 F CB 0.187 39.038 39.000 -0.249 0.000 1.027 460 F HN 0.138 nan 8.300 nan 0.000 0.497 461 Q N -1.213 118.658 119.800 0.118 0.000 2.396 461 Q HA -0.024 4.316 4.340 0.000 0.000 0.209 461 Q C 1.582 177.623 176.000 0.068 0.000 0.906 461 Q CA 1.316 57.145 55.803 0.043 0.000 0.927 461 Q CB 0.457 29.182 28.738 -0.022 0.000 1.069 461 Q HN 0.352 nan 8.270 nan 0.000 0.523 462 T N -4.273 110.364 114.554 0.138 0.000 3.004 462 T HA 0.257 4.607 4.350 0.000 0.000 0.266 462 T C 0.759 175.600 174.700 0.235 0.000 0.986 462 T CA -0.357 61.864 62.100 0.201 0.000 0.902 462 T CB 0.565 69.585 68.868 0.252 0.000 1.118 462 T HN -0.173 nan 8.240 nan 0.000 0.522 463 S N 3.658 119.502 115.700 0.240 0.000 2.584 463 S HA 0.320 4.790 4.470 0.000 0.000 0.270 463 S C 0.553 175.313 174.600 0.266 0.000 1.346 463 S CA -0.718 57.645 58.200 0.271 0.000 1.018 463 S CB 0.216 63.567 63.200 0.252 0.000 0.899 463 S HN 0.749 nan 8.310 nan 0.000 0.542 464 N N 1.951 120.771 118.700 0.201 0.000 2.467 464 N HA 0.037 4.777 4.740 0.000 0.000 0.262 464 N C -0.084 175.463 175.510 0.062 0.000 1.234 464 N CA -0.258 52.813 53.050 0.035 0.000 0.952 464 N CB -0.257 38.004 38.487 -0.377 0.000 1.158 464 N HN 0.658 nan 8.380 nan 0.000 0.463 465 N N -1.205 117.516 118.700 0.034 0.000 2.725 465 N HA -0.233 4.507 4.740 0.000 0.000 0.251 465 N C 0.546 176.117 175.510 0.102 0.000 1.031 465 N CA 0.761 53.867 53.050 0.094 0.000 0.720 465 N CB -1.156 37.410 38.487 0.131 0.000 0.930 465 N HN 0.717 nan 8.380 nan 0.000 0.543 466 A N -0.180 122.687 122.820 0.079 0.000 2.019 466 A HA -0.202 4.118 4.320 0.000 0.000 0.219 466 A C 1.985 179.559 177.584 -0.016 0.000 1.164 466 A CA 1.933 53.998 52.037 0.047 0.000 0.644 466 A CB -0.355 18.670 19.000 0.043 0.000 0.805 466 A HN 0.730 nan 8.150 nan 0.000 0.449 467 Q N -0.469 119.334 119.800 0.005 0.000 2.079 467 Q HA -0.059 4.281 4.340 0.000 0.000 0.200 467 Q C 2.111 178.094 176.000 -0.029 0.000 0.974 467 Q CA 1.527 57.313 55.803 -0.028 0.000 0.840 467 Q CB -0.361 28.382 28.738 0.008 0.000 0.898 467 Q HN 0.576 nan 8.270 nan 0.000 0.430 468 A N 0.556 123.391 122.820 0.025 0.000 1.933 468 A HA -0.150 4.170 4.320 0.000 0.000 0.218 468 A C 1.955 179.541 177.584 0.003 0.000 1.175 468 A CA 1.224 53.274 52.037 0.022 0.000 0.628 468 A CB -0.658 18.381 19.000 0.065 0.000 0.814 468 A HN 0.493 nan 8.150 nan 0.000 0.444 469 L N -0.088 121.142 121.223 0.012 0.000 2.005 469 L HA -0.104 4.236 4.340 0.000 0.000 0.207 469 L C 2.481 179.294 176.870 -0.095 0.000 1.072 469 L CA 1.908 56.765 54.840 0.029 0.000 0.744 469 L CB -0.586 41.537 42.059 0.105 0.000 0.895 469 L HN 0.329 nan 8.230 nan 0.000 0.433 470 R N -0.353 119.973 120.500 -0.290 0.000 2.081 470 R HA -0.177 4.163 4.340 0.000 0.000 0.235 470 R C 2.119 178.238 176.300 -0.302 0.000 1.131 470 R CA 1.731 57.470 56.100 -0.601 0.000 0.960 470 R CB -0.503 29.331 30.300 -0.776 0.000 0.856 470 R HN 0.541 nan 8.270 nan 0.000 0.436 471 E N 0.587 120.687 120.200 -0.167 0.000 2.070 471 E HA -0.237 4.113 4.350 0.000 0.000 0.197 471 E C 2.068 178.638 176.600 -0.050 0.000 1.004 471 E CA 1.579 57.925 56.400 -0.089 0.000 0.805 471 E CB -0.164 29.504 29.700 -0.053 0.000 0.744 471 E HN 0.386 nan 8.360 nan 0.000 0.451 472 A N 1.054 123.858 122.820 -0.027 0.000 1.898 472 A HA -0.150 4.170 4.320 0.000 0.000 0.216 472 A C 2.136 179.745 177.584 0.043 0.000 1.181 472 A CA 1.007 53.050 52.037 0.010 0.000 0.620 472 A CB -0.341 18.674 19.000 0.024 0.000 0.819 472 A HN 0.110 nan 8.150 nan 0.000 0.442 473 I N 0.050 120.668 120.570 0.080 0.000 2.252 473 I HA -0.196 3.974 4.170 0.000 0.000 0.245 473 I C 2.467 178.664 176.117 0.133 0.000 1.102 473 I CA 1.100 62.510 61.300 0.182 0.000 1.385 473 I CB -1.459 36.776 38.000 0.392 0.000 1.064 473 I HN 0.278 nan 8.210 nan 0.000 0.414 474 L N 0.012 121.272 121.223 0.061 0.000 2.017 474 L HA -0.244 4.096 4.340 0.000 0.000 0.208 474 L C 2.723 179.606 176.870 0.022 0.000 1.073 474 L CA 1.416 56.277 54.840 0.035 0.000 0.745 474 L CB -0.606 41.440 42.059 -0.022 0.000 0.894 474 L HN 0.295 nan 8.230 nan 0.000 0.432 475 Q N -0.307 119.500 119.800 0.013 0.000 2.050 475 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 475 Q C 2.390 178.407 176.000 0.028 0.000 0.980 475 Q CA 1.507 57.318 55.803 0.012 0.000 0.840 475 Q CB -0.113 28.627 28.738 0.003 0.000 0.898 475 Q HN 0.463 nan 8.270 nan 0.000 0.424 476 R N -0.054 120.470 120.500 0.041 0.000 2.115 476 R HA -0.084 4.257 4.340 0.000 0.000 0.230 476 R C 2.538 178.892 176.300 0.089 0.000 1.111 476 R CA 1.270 57.399 56.100 0.048 0.000 0.976 476 R CB -0.356 29.969 30.300 0.043 0.000 0.870 476 R HN 0.121 nan 8.270 nan 0.000 0.445 477 S N 0.787 116.555 115.700 0.113 0.000 2.368 477 S HA -0.117 4.353 4.470 0.000 0.000 0.224 477 S C 2.127 176.833 174.600 0.178 0.000 1.029 477 S CA 1.129 59.438 58.200 0.182 0.000 0.988 477 S CB -0.091 63.103 63.200 -0.010 0.000 0.838 477 S HN 0.420 nan 8.310 nan 0.000 0.462 478 A N 1.446 124.309 122.820 0.072 0.000 1.940 478 A HA -0.006 4.314 4.320 0.000 0.000 0.219 478 A C 2.111 179.728 177.584 0.054 0.000 1.176 478 A CA 1.529 53.594 52.037 0.047 0.000 0.631 478 A CB -0.800 18.210 19.000 0.017 0.000 0.814 478 A HN 0.648 nan 8.150 nan 0.000 0.446 479 I N -0.614 119.983 120.570 0.045 0.000 2.226 479 I HA -0.220 3.950 4.170 0.000 0.000 0.245 479 I C 2.307 178.435 176.117 0.019 0.000 1.100 479 I CA 1.130 62.444 61.300 0.024 0.000 1.374 479 I CB -0.292 37.713 38.000 0.009 0.000 1.057 479 I HN 0.163 nan 8.210 nan 0.000 0.413 480 V N 0.820 120.750 119.914 0.026 0.000 2.358 480 V HA -0.258 3.863 4.120 0.000 0.000 0.246 480 V C 2.406 178.494 176.094 -0.010 0.000 1.047 480 V CA 1.756 64.033 62.300 -0.040 0.000 1.035 480 V CB -0.597 31.103 31.823 -0.205 0.000 0.658 480 V HN 0.374 nan 8.190 nan 0.000 0.452 481 K N -0.248 120.201 120.400 0.081 0.000 2.032 481 K HA -0.235 4.085 4.320 0.000 0.000 0.209 481 K C 2.281 178.923 176.600 0.070 0.000 1.048 481 K CA 1.768 58.128 56.287 0.122 0.000 0.927 481 K CB -0.268 32.327 32.500 0.158 0.000 0.712 481 K HN 0.512 nan 8.250 nan 0.000 0.441 482 Q N 0.022 119.852 119.800 0.050 0.000 2.135 482 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 482 Q C 2.156 178.166 176.000 0.016 0.000 0.981 482 Q CA 1.561 57.382 55.803 0.030 0.000 0.856 482 Q CB -0.191 28.560 28.738 0.021 0.000 0.902 482 Q HN 0.370 nan 8.270 nan 0.000 0.425 483 A N 0.475 123.300 122.820 0.009 0.000 1.929 483 A HA -0.122 4.199 4.320 0.000 0.000 0.216 483 A C 1.978 179.562 177.584 -0.000 0.000 1.176 483 A CA 1.102 53.138 52.037 -0.001 0.000 0.628 483 A CB -0.347 18.646 19.000 -0.011 0.000 0.816 483 A HN 0.282 nan 8.150 nan 0.000 0.444 484 M N -0.906 118.697 119.600 0.006 0.000 2.319 484 M HA -0.145 4.336 4.480 0.000 0.000 0.265 484 M C 2.165 178.466 176.300 0.002 0.000 1.068 484 M CA 1.059 56.362 55.300 0.006 0.000 1.118 484 M CB -0.262 32.350 32.600 0.020 0.000 1.395 484 M HN 0.466 nan 8.290 nan 0.000 0.435 485 Q N 0.483 120.287 119.800 0.007 0.000 2.226 485 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 485 Q C 1.640 177.636 176.000 -0.006 0.000 0.975 485 Q CA 1.079 56.881 55.803 -0.000 0.000 0.866 485 Q CB -0.049 28.695 28.738 0.010 0.000 0.915 485 Q HN 0.512 nan 8.270 nan 0.000 0.440 486 K N 0.188 120.586 120.400 -0.004 0.000 2.366 486 K HA 0.097 4.417 4.320 0.000 0.000 0.198 486 K C 0.648 177.242 176.600 -0.009 0.000 1.044 486 K CA 0.271 56.554 56.287 -0.006 0.000 0.973 486 K CB 0.190 32.687 32.500 -0.005 0.000 0.767 486 K HN 0.059 nan 8.250 nan 0.000 0.475 487 A N 1.971 124.785 122.820 -0.010 0.000 2.332 487 A HA 0.339 4.659 4.320 0.000 0.000 0.258 487 A C -0.146 177.428 177.584 -0.017 0.000 1.087 487 A CA -0.224 51.805 52.037 -0.013 0.000 0.802 487 A CB 0.442 19.434 19.000 -0.012 0.000 1.042 487 A HN 0.081 nan 8.150 nan 0.000 0.489 488 R N 0.046 120.536 120.500 -0.018 0.000 2.510 488 R HA 0.452 4.792 4.340 0.000 0.000 0.287 488 R C 0.374 176.661 176.300 -0.022 0.000 1.084 488 R CA 0.064 56.152 56.100 -0.021 0.000 0.934 488 R CB 1.022 31.311 30.300 -0.018 0.000 1.201 488 R HN 1.936 nan 8.270 nan 0.000 0.431 489 G N 1.302 110.086 108.800 -0.026 0.000 2.203 489 G HA2 -0.330 3.630 3.960 0.000 0.000 0.263 489 G HA3 -0.330 3.630 3.960 0.000 0.000 0.263 489 G C 0.261 175.144 174.900 -0.027 0.000 1.012 489 G CA 0.480 45.563 45.100 -0.029 0.000 0.749 489 G HN 0.858 nan 8.290 nan 0.000 0.512 490 A N 0.593 123.398 122.820 -0.025 0.000 2.450 490 A HA 0.666 4.986 4.320 0.000 0.000 0.255 490 A C 1.156 178.727 177.584 -0.021 0.000 1.096 490 A CA 0.984 53.009 52.037 -0.020 0.000 0.778 490 A CB 0.167 19.158 19.000 -0.014 0.000 1.031 490 A HN 1.737 nan 8.150 nan 0.000 0.494 491 T N 0.431 114.973 114.554 -0.020 0.000 2.766 491 T HA 0.231 4.581 4.350 0.000 0.000 0.295 491 T C 1.364 176.067 174.700 0.005 0.000 1.024 491 T CA 0.415 62.505 62.100 -0.017 0.000 1.018 491 T CB 0.230 69.087 68.868 -0.019 0.000 1.002 491 T HN 0.537 nan 8.240 nan 0.000 0.532 492 T N 1.059 115.633 114.554 0.033 0.000 2.684 492 T HA -0.114 4.236 4.350 0.000 0.000 0.267 492 T C 1.846 176.543 174.700 -0.005 0.000 1.036 492 T CA 1.917 64.060 62.100 0.072 0.000 1.148 492 T CB -0.493 68.446 68.868 0.118 0.000 0.863 492 T HN 0.742 nan 8.240 nan 0.000 0.436 493 E N 1.256 121.441 120.200 -0.025 0.000 2.085 493 E HA -0.116 4.234 4.350 0.000 0.000 0.194 493 E C 2.264 178.832 176.600 -0.053 0.000 0.994 493 E CA 1.166 57.533 56.400 -0.055 0.000 0.801 493 E CB -0.235 29.432 29.700 -0.055 0.000 0.743 493 E HN 0.612 nan 8.360 nan 0.000 0.453 494 E N -0.337 119.842 120.200 -0.036 0.000 2.150 494 E HA -0.165 4.185 4.350 0.000 0.000 0.193 494 E C 1.875 178.457 176.600 -0.030 0.000 0.985 494 E CA 0.984 57.365 56.400 -0.032 0.000 0.814 494 E CB -0.099 29.587 29.700 -0.024 0.000 0.752 494 E HN 0.150 nan 8.360 nan 0.000 0.466 495 M N 0.526 120.110 119.600 -0.026 0.000 2.200 495 M HA -0.089 4.392 4.480 0.000 0.000 0.265 495 M C 2.029 178.289 176.300 -0.066 0.000 1.066 495 M CA 1.102 56.385 55.300 -0.029 0.000 1.127 495 M CB 0.007 32.607 32.600 0.001 0.000 1.379 495 M HN -0.074 nan 8.290 nan 0.000 0.420 496 V N 0.762 120.621 119.914 -0.091 0.000 2.332 496 V HA -0.309 3.811 4.120 0.000 0.000 0.248 496 V C 1.896 177.947 176.094 -0.071 0.000 1.055 496 V CA 2.195 64.415 62.300 -0.133 0.000 1.038 496 V CB -0.958 30.774 31.823 -0.153 0.000 0.651 496 V HN 0.431 nan 8.190 nan 0.000 0.450 497 D N -0.397 119.974 120.400 -0.049 0.000 2.149 497 D HA -0.098 4.543 4.640 0.000 0.000 0.201 497 D C 2.162 178.481 176.300 0.031 0.000 0.972 497 D CA 1.018 55.017 54.000 -0.002 0.000 0.835 497 D CB -0.228 40.559 40.800 -0.022 0.000 0.966 497 D HN 0.319 nan 8.370 nan 0.000 0.476 498 V N 1.123 121.035 119.914 -0.003 0.000 2.343 498 V HA -0.207 3.913 4.120 0.000 0.000 0.247 498 V C 2.453 178.542 176.094 -0.009 0.000 1.051 498 V CA 1.134 63.432 62.300 -0.004 0.000 1.036 498 V CB -0.263 31.552 31.823 -0.014 0.000 0.654 498 V HN 0.167 nan 8.190 nan 0.000 0.451 499 I N -1.451 119.101 120.570 -0.029 0.000 2.286 499 I HA -0.235 3.935 4.170 0.000 0.000 0.245 499 I C 2.377 178.474 176.117 -0.034 0.000 1.104 499 I CA 1.698 62.965 61.300 -0.054 0.000 1.397 499 I CB -0.411 37.504 38.000 -0.141 0.000 1.072 499 I HN 0.324 nan 8.210 nan 0.000 0.417 500 Y N 1.678 121.911 120.300 -0.113 0.000 2.128 500 Y HA -0.324 4.226 4.550 0.000 0.000 0.284 500 Y C 2.597 178.463 175.900 -0.057 0.000 1.154 500 Y CA 2.133 60.179 58.100 -0.089 0.000 1.149 500 Y CB -0.199 38.205 38.460 -0.094 0.000 0.976 500 Y HN 0.181 nan 8.280 nan 0.000 0.505 501 E N -0.167 120.058 120.200 0.041 0.000 2.110 501 E HA -0.230 4.120 4.350 0.000 0.000 0.193 501 E C 2.230 178.773 176.600 -0.095 0.000 0.988 501 E CA 1.023 57.410 56.400 -0.022 0.000 0.804 501 E CB -0.305 29.414 29.700 0.031 0.000 0.745 501 E HN 0.562 nan 8.360 nan 0.000 0.458 502 A N 0.556 123.328 122.820 -0.079 0.000 1.933 502 A HA -0.179 4.141 4.320 0.000 0.000 0.218 502 A C 2.392 179.908 177.584 -0.113 0.000 1.175 502 A CA 2.105 54.097 52.037 -0.074 0.000 0.628 502 A CB -1.082 17.888 19.000 -0.050 0.000 0.814 502 A HN 0.513 nan 8.150 nan 0.000 0.444 503 T N -2.404 112.040 114.554 -0.183 0.000 3.035 503 T HA -0.107 4.243 4.350 0.000 0.000 0.268 503 T C 1.533 176.083 174.700 -0.250 0.000 1.109 503 T CA 1.380 63.351 62.100 -0.216 0.000 1.119 503 T CB -0.355 68.358 68.868 -0.259 0.000 0.900 503 T HN 0.627 nan 8.240 nan 0.000 0.503 504 Q N 0.703 120.337 119.800 -0.276 0.000 2.451 504 Q HA 0.192 4.532 4.340 0.000 0.000 0.206 504 Q C 0.897 176.830 176.000 -0.111 0.000 0.947 504 Q CA 0.302 55.982 55.803 -0.205 0.000 0.937 504 Q CB 0.160 28.789 28.738 -0.181 0.000 1.025 504 Q HN 0.519 nan 8.270 nan 0.000 0.511 505 N N -0.564 118.077 118.700 -0.097 0.000 2.401 505 N HA 0.131 4.871 4.740 0.000 0.000 0.264 505 N C 0.281 175.761 175.510 -0.050 0.000 1.238 505 N CA 0.608 53.622 53.050 -0.060 0.000 0.889 505 N CB 1.657 40.117 38.487 -0.045 0.000 1.196 505 N HN 0.334 nan 8.380 nan 0.000 0.511 506 G N -0.269 108.495 108.800 -0.061 0.000 2.213 506 G HA2 -0.221 3.739 3.960 0.000 0.000 0.236 506 G HA3 -0.221 3.739 3.960 0.000 0.000 0.236 506 G C 0.526 175.401 174.900 -0.040 0.000 0.991 506 G CA -0.162 44.911 45.100 -0.045 0.000 0.629 506 G HN 0.534 nan 8.290 nan 0.000 0.517 507 G N -0.569 108.203 108.800 -0.047 0.000 2.599 507 G HA2 0.662 4.623 3.960 0.000 0.000 0.264 507 G HA3 0.662 4.623 3.960 0.000 0.000 0.264 507 G C -0.682 174.204 174.900 -0.024 0.000 1.200 507 G CA 0.192 45.278 45.100 -0.023 0.000 0.896 507 G HN 1.236 nan 8.290 nan 0.000 0.536 508 L N -0.075 121.169 121.223 0.036 0.000 2.505 508 L HA 0.578 4.918 4.340 0.000 0.000 0.266 508 L C -1.271 175.703 176.870 0.174 0.000 0.954 508 L CA -0.878 53.995 54.840 0.055 0.000 0.852 508 L CB 1.847 43.926 42.059 0.033 0.000 1.282 508 L HN 0.489 nan 8.230 nan 0.000 0.403 509 F N 5.534 125.484 119.950 0.000 0.000 2.438 509 F HA 0.642 5.169 4.527 0.000 0.000 0.356 509 F C -0.538 175.391 175.800 0.216 0.000 1.099 509 F CA -0.112 57.921 58.000 0.056 0.000 1.185 509 F CB 0.974 39.946 39.000 -0.046 0.000 1.115 509 F HN 0.265 nan 8.300 nan 0.000 0.526 510 V N 5.398 125.262 119.914 -0.083 0.000 2.459 510 V HA 0.438 4.559 4.120 0.000 0.000 0.295 510 V C -0.244 175.715 176.094 -0.225 0.000 1.029 510 V CA -0.509 61.744 62.300 -0.078 0.000 0.874 510 V CB 1.807 33.621 31.823 -0.015 0.000 0.985 510 V HN 0.846 nan 8.190 nan 0.000 0.438 511 T N 3.015 117.573 114.554 0.006 0.000 2.863 511 T HA 0.547 4.897 4.350 0.000 0.000 0.285 511 T C -0.505 174.240 174.700 0.075 0.000 1.009 511 T CA -0.506 61.615 62.100 0.036 0.000 0.989 511 T CB 1.724 70.700 68.868 0.180 0.000 1.004 511 T HN 0.654 nan 8.240 nan 0.000 0.455 512 S N 2.236 117.936 115.700 0.000 0.000 2.561 512 S HA 0.681 5.151 4.470 0.000 0.000 0.303 512 S C -0.974 173.553 174.600 -0.123 0.000 1.110 512 S CA -0.770 57.439 58.200 0.016 0.000 1.034 512 S CB 0.255 63.455 63.200 0.000 0.000 1.010 512 S HN 0.581 nan 8.310 nan 0.000 0.482 513 I N 5.339 125.804 120.570 -0.176 0.000 2.355 513 I HA 0.509 4.680 4.170 0.000 0.000 0.288 513 I C 0.162 176.235 176.117 -0.074 0.000 0.999 513 I CA -0.565 60.555 61.300 -0.301 0.000 1.163 513 I CB 1.242 38.721 38.000 -0.868 0.000 1.316 513 I HN 0.604 nan 8.210 nan 0.000 0.454 514 N N 4.681 123.339 118.700 -0.071 0.000 3.179 514 N HA 0.388 5.128 4.740 0.000 0.000 0.250 514 N C -0.054 175.386 175.510 -0.117 0.000 1.507 514 N CA -0.561 52.462 53.050 -0.045 0.000 0.883 514 N CB 1.830 40.292 38.487 -0.041 0.000 1.435 514 N HN 0.385 nan 8.380 nan 0.000 0.532 515 L N 0.083 121.199 121.223 -0.178 0.000 2.307 515 L HA 0.239 4.579 4.340 0.000 0.000 0.211 515 L C -0.089 176.443 176.870 -0.562 0.000 1.099 515 L CA 0.695 55.298 54.840 -0.394 0.000 0.816 515 L CB -0.054 41.712 42.059 -0.489 0.000 0.952 515 L HN 0.430 nan 8.230 nan 0.000 0.455 516 Y N -2.125 118.148 120.300 -0.046 0.000 2.638 516 Y HA 0.306 4.856 4.550 0.000 0.000 0.339 516 Y C -1.784 174.065 175.900 -0.085 0.000 1.084 516 Y CA -1.846 56.243 58.100 -0.018 0.000 1.068 516 Y CB 0.739 39.266 38.460 0.110 0.000 1.294 516 Y HN -0.325 nan 8.280 nan 0.000 0.480 517 P HA -0.123 nan 4.420 nan 0.000 0.215 517 P C 0.196 177.439 177.300 -0.095 0.000 1.157 517 P CA 2.527 65.558 63.100 -0.115 0.000 0.863 517 P CB -0.051 31.549 31.700 -0.167 0.000 0.787 518 T N -3.144 111.396 114.554 -0.024 0.000 0.541 518 T HA -0.243 4.107 4.350 0.000 0.000 0.774 518 T C 0.884 175.516 174.700 -0.114 0.000 0.992 518 T CA 0.981 63.040 62.100 -0.069 0.000 4.077 518 T CB -1.310 67.511 68.868 -0.078 0.000 2.303 518 T HN 0.177 nan 8.240 nan 0.000 0.398 519 K N 0.512 120.848 120.400 -0.107 0.000 2.360 519 K HA 0.105 4.425 4.320 0.000 0.000 0.201 519 K C 2.292 178.801 176.600 -0.152 0.000 1.046 519 K CA 1.497 57.750 56.287 -0.056 0.000 0.945 519 K CB -0.423 32.103 32.500 0.043 0.000 0.750 519 K HN 0.543 nan 8.250 nan 0.000 0.464 520 L N 0.414 121.407 121.223 -0.383 0.000 2.187 520 L HA -0.185 4.155 4.340 0.000 0.000 0.213 520 L C 2.370 179.020 176.870 -0.366 0.000 1.100 520 L CA 0.775 55.184 54.840 -0.719 0.000 0.765 520 L CB -0.568 41.103 42.059 -0.646 0.000 0.904 520 L HN 0.188 nan 8.230 nan 0.000 0.437 521 A N -0.115 122.588 122.820 -0.194 0.000 2.125 521 A HA -0.193 4.127 4.320 0.000 0.000 0.219 521 A C 2.073 179.718 177.584 0.102 0.000 1.156 521 A CA 1.303 53.309 52.037 -0.050 0.000 0.671 521 A CB -0.373 18.493 19.000 -0.224 0.000 0.794 521 A HN 0.510 nan 8.150 nan 0.000 0.459 522 E N -0.835 119.376 120.200 0.018 0.000 2.347 522 E HA 0.032 4.382 4.350 0.000 0.000 0.196 522 E C 1.692 178.272 176.600 -0.034 0.000 1.008 522 E CA 0.779 57.206 56.400 0.044 0.000 0.852 522 E CB -0.066 29.695 29.700 0.102 0.000 0.783 522 E HN 0.656 nan 8.360 nan 0.000 0.505 523 A N 0.750 123.521 122.820 -0.082 0.000 2.226 523 A HA 0.479 4.799 4.320 0.000 0.000 0.207 523 A C 1.067 178.400 177.584 -0.419 0.000 1.293 523 A CA 0.132 52.060 52.037 -0.181 0.000 0.968 523 A CB 0.400 19.417 19.000 0.028 0.000 1.044 523 A HN 0.170 nan 8.150 nan 0.000 0.493 524 A N -0.154 122.501 122.820 -0.275 0.000 2.483 524 A HA 0.394 4.714 4.320 0.000 0.000 0.238 524 A C 0.445 177.771 177.584 -0.430 0.000 1.070 524 A CA 0.523 52.403 52.037 -0.262 0.000 0.770 524 A CB -0.199 18.811 19.000 0.015 0.000 1.008 524 A HN 0.589 nan 8.150 nan 0.000 0.497 525 H N -0.173 118.743 119.070 -0.257 0.000 2.750 525 H HA 0.425 4.982 4.556 0.000 0.000 0.263 525 H C -0.442 174.815 175.328 -0.117 0.000 0.964 525 H CA 0.190 56.040 56.048 -0.330 0.000 1.205 525 H CB 0.659 30.045 29.762 -0.627 0.000 1.454 525 H HN 0.400 nan 8.280 nan 0.000 0.503 526 L N 1.014 122.272 121.223 0.058 0.000 2.513 526 L HA 0.470 4.810 4.340 0.000 0.000 0.261 526 L C -1.944 174.978 176.870 0.087 0.000 0.945 526 L CA -0.677 54.259 54.840 0.159 0.000 0.848 526 L CB 1.806 43.967 42.059 0.170 0.000 1.334 526 L HN -0.003 nan 8.230 nan 0.000 0.407 527 M N 6.086 125.709 119.600 0.038 0.000 2.327 527 M HA 0.538 5.019 4.480 0.000 0.000 0.298 527 M C -1.463 174.700 176.300 -0.229 0.000 1.065 527 M CA -0.500 54.731 55.300 -0.113 0.000 0.916 527 M CB 2.194 34.691 32.600 -0.173 0.000 1.630 527 M HN 0.390 nan 8.290 nan 0.000 0.442 528 L N 4.589 125.640 121.223 -0.285 0.000 2.329 528 L HA 0.640 4.980 4.340 0.000 0.000 0.279 528 L C -2.239 174.503 176.870 -0.213 0.000 1.014 528 L CA -1.931 52.687 54.840 -0.371 0.000 0.814 528 L CB 1.795 43.614 42.059 -0.400 0.000 1.257 528 L HN 0.353 nan 8.230 nan 0.000 0.424 529 P HA 0.270 nan 4.420 nan 0.000 0.287 529 P C -1.004 176.334 177.300 0.063 0.000 1.294 529 P CA -0.167 62.904 63.100 -0.049 0.000 0.776 529 P CB 1.786 33.461 31.700 -0.041 0.000 0.889 530 A N 3.597 126.411 122.820 -0.011 0.000 2.288 530 A HA 0.822 5.142 4.320 0.000 0.000 0.328 530 A C -0.431 177.127 177.584 -0.045 0.000 1.123 530 A CA -0.682 51.373 52.037 0.030 0.000 0.861 530 A CB 1.064 20.102 19.000 0.063 0.000 1.272 530 A HN 0.569 nan 8.150 nan 0.000 0.490 531 A N 0.105 122.916 122.820 -0.015 0.000 2.350 531 A HA 0.717 5.038 4.320 0.000 0.000 0.324 531 A C -0.251 177.340 177.584 0.013 0.000 1.118 531 A CA -0.471 51.536 52.037 -0.049 0.000 0.783 531 A CB 0.423 19.410 19.000 -0.021 0.000 1.236 531 A HN 1.206 nan 8.150 nan 0.000 0.457 532 H N -0.108 118.928 119.070 -0.057 0.000 2.630 532 H HA 0.675 5.232 4.556 0.001 0.000 0.343 532 H C -2.776 172.447 175.328 -0.175 0.000 1.232 532 H CA -2.685 53.293 56.048 -0.116 0.000 1.294 532 H CB 1.023 30.765 29.762 -0.034 0.000 1.746 532 H HN 0.310 nan 8.280 nan 0.000 0.593 533 P HA -0.012 nan 4.420 nan 0.000 0.262 533 P C 0.829 178.091 177.300 -0.063 0.000 1.182 533 P CA 2.116 65.060 63.100 -0.261 0.000 0.761 533 P CB 0.691 32.124 31.700 -0.445 0.000 0.795 534 G N 3.024 111.808 108.800 -0.026 0.000 2.349 534 G HA2 -0.248 3.712 3.960 0.000 0.000 0.213 534 G HA3 -0.248 3.712 3.960 0.000 0.000 0.213 534 G C 0.926 175.565 174.900 -0.434 0.000 1.044 534 G CA -0.112 44.920 45.100 -0.114 0.000 0.633 534 G HN 0.526 nan 8.290 nan 0.000 0.506 535 E N 0.422 120.518 120.200 -0.172 0.000 2.447 535 E HA 0.376 4.726 4.350 0.000 0.000 0.195 535 E C 1.163 177.698 176.600 -0.108 0.000 1.028 535 E CA 0.954 57.259 56.400 -0.160 0.000 0.876 535 E CB 0.093 29.764 29.700 -0.048 0.000 0.885 535 E HN 0.774 nan 8.360 nan 0.000 0.500 536 M N -1.391 118.161 119.600 -0.080 0.000 2.644 536 M HA 0.436 4.916 4.480 0.000 0.000 0.273 536 M C -1.435 174.828 176.300 -0.061 0.000 1.253 536 M CA -1.102 54.168 55.300 -0.049 0.000 0.852 536 M CB 1.608 34.195 32.600 -0.020 0.000 1.708 536 M HN -0.370 nan 8.290 nan 0.000 0.471 537 N N 1.302 119.976 118.700 -0.044 0.000 2.503 537 N HA 0.762 5.503 4.740 0.000 0.000 0.267 537 N C -1.421 174.007 175.510 -0.136 0.000 1.214 537 N CA -0.184 52.794 53.050 -0.119 0.000 0.959 537 N CB 1.840 40.274 38.487 -0.088 0.000 1.142 537 N HN 0.738 nan 8.380 nan 0.000 0.455 538 L N 0.095 121.169 121.223 -0.248 0.000 2.592 538 L HA 0.356 4.697 4.340 0.000 0.000 0.258 538 L C -0.914 175.801 176.870 -0.258 0.000 0.926 538 L CA -0.483 54.241 54.840 -0.193 0.000 0.885 538 L CB 2.042 44.009 42.059 -0.153 0.000 1.380 538 L HN 0.659 nan 8.230 nan 0.000 0.415 539 T N 0.127 114.571 114.554 -0.183 0.000 2.856 539 T HA 0.907 5.257 4.350 0.000 0.000 0.283 539 T C -0.430 174.286 174.700 0.027 0.000 1.008 539 T CA -0.631 61.397 62.100 -0.120 0.000 0.997 539 T CB 1.867 70.601 68.868 -0.222 0.000 0.992 539 T HN 0.582 nan 8.240 nan 0.000 0.454 540 S N 1.028 116.753 115.700 0.041 0.000 2.587 540 S HA 0.652 5.123 4.470 0.000 0.000 0.269 540 S C -1.074 173.593 174.600 0.111 0.000 1.154 540 S CA -1.067 57.091 58.200 -0.070 0.000 0.824 540 S CB 1.488 64.616 63.200 -0.120 0.000 1.118 540 S HN 1.099 nan 8.310 nan 0.000 0.462 541 M N 1.446 121.115 119.600 0.115 0.000 2.716 541 M HA 0.736 5.217 4.480 0.000 0.000 0.307 541 M C -0.423 175.920 176.300 0.072 0.000 1.223 541 M CA -0.822 54.563 55.300 0.141 0.000 0.871 541 M CB 1.408 34.157 32.600 0.249 0.000 1.739 541 M HN 0.665 nan 8.290 nan 0.000 0.475 542 N N 0.620 119.332 118.700 0.020 0.000 2.681 542 N HA 0.409 5.149 4.740 0.000 0.000 0.311 542 N C 0.800 176.299 175.510 -0.018 0.000 1.303 542 N CA -0.145 52.910 53.050 0.009 0.000 0.926 542 N CB -0.372 38.096 38.487 -0.031 0.000 1.136 542 N HN 0.921 nan 8.380 nan 0.000 0.592 543 G N -1.639 107.175 108.800 0.024 0.000 2.708 543 G HA2 -0.129 3.831 3.960 0.000 0.000 0.210 543 G HA3 -0.129 3.831 3.960 0.000 0.000 0.210 543 G C 0.309 175.149 174.900 -0.101 0.000 1.141 543 G CA 0.608 45.754 45.100 0.077 0.000 0.788 543 G HN 0.806 nan 8.290 nan 0.000 0.531 544 E N -0.780 119.154 120.200 -0.444 0.000 2.789 544 E HA 0.332 4.682 4.350 0.000 0.000 0.208 544 E C 0.640 177.103 176.600 -0.229 0.000 0.988 544 E CA -0.843 55.307 56.400 -0.416 0.000 1.092 544 E CB 0.110 29.339 29.700 -0.785 0.000 1.066 544 E HN 0.231 nan 8.360 nan 0.000 0.465 545 R N 0.666 121.094 120.500 -0.120 0.000 3.875 545 R HA -0.196 4.145 4.340 0.000 0.000 0.321 545 R C -0.007 176.287 176.300 -0.011 0.000 1.196 545 R CA 0.743 56.835 56.100 -0.013 0.000 0.868 545 R CB -1.948 28.353 30.300 0.002 0.000 1.333 545 R HN 0.251 nan 8.270 nan 0.000 0.522 546 R N 1.845 122.299 120.500 -0.077 0.000 2.248 546 R HA 0.285 4.625 4.340 0.000 0.000 0.337 546 R C 0.028 176.336 176.300 0.013 0.000 1.085 546 R CA -0.204 55.863 56.100 -0.055 0.000 0.934 546 R CB 0.415 30.638 30.300 -0.128 0.000 1.034 546 R HN 0.244 nan 8.270 nan 0.000 0.465 547 I N 4.346 124.952 120.570 0.061 0.000 2.395 547 I HA 0.271 4.441 4.170 0.000 0.000 0.289 547 I C -0.640 175.487 176.117 0.017 0.000 1.023 547 I CA -0.324 61.036 61.300 0.099 0.000 1.350 547 I CB 0.390 38.472 38.000 0.136 0.000 1.409 547 I HN 0.614 nan 8.210 nan 0.000 0.507 548 R N 5.425 125.918 120.500 -0.012 0.000 2.837 548 R HA 0.589 4.930 4.340 0.000 0.000 0.271 548 R C -1.644 174.570 176.300 -0.144 0.000 0.993 548 R CA -0.737 55.321 56.100 -0.070 0.000 0.931 548 R CB 1.682 31.948 30.300 -0.057 0.000 1.206 548 R HN 0.587 nan 8.270 nan 0.000 0.474 549 L N 0.508 121.606 121.223 -0.208 0.000 2.282 549 L HA 0.564 4.904 4.340 0.000 0.000 0.288 549 L C -0.895 175.833 176.870 -0.238 0.000 1.033 549 L CA 0.287 54.926 54.840 -0.335 0.000 0.807 549 L CB 1.759 43.543 42.059 -0.457 0.000 1.209 549 L HN 0.527 nan 8.230 nan 0.000 0.423 550 S N 3.943 119.506 115.700 -0.228 0.000 2.475 550 S HA 0.412 4.883 4.470 0.000 0.000 0.281 550 S C -0.502 174.006 174.600 -0.153 0.000 1.198 550 S CA -0.607 57.510 58.200 -0.139 0.000 1.063 550 S CB 0.586 63.718 63.200 -0.113 0.000 0.972 550 S HN 0.639 nan 8.310 nan 0.000 0.486 551 E N 1.969 122.123 120.200 -0.076 0.000 2.266 551 E HA 0.196 4.546 4.350 0.000 0.000 0.277 551 E C -0.209 176.422 176.600 0.051 0.000 1.018 551 E CA -0.673 55.697 56.400 -0.049 0.000 0.840 551 E CB 1.074 30.758 29.700 -0.026 0.000 1.082 551 E HN 0.413 nan 8.360 nan 0.000 0.395 552 K N 2.322 122.721 120.400 -0.001 0.000 2.382 552 K HA 0.034 4.354 4.320 0.000 0.000 0.275 552 K C -0.225 176.410 176.600 0.057 0.000 1.009 552 K CA 0.221 56.492 56.287 -0.026 0.000 0.970 552 K CB 0.291 32.757 32.500 -0.056 0.000 0.934 552 K HN 0.620 nan 8.250 nan 0.000 0.479 553 F N 2.054 121.978 119.950 -0.044 0.000 2.974 553 F HA 0.258 4.785 4.527 0.001 0.000 0.357 553 F C -0.475 175.277 175.800 -0.080 0.000 1.114 553 F CA -0.865 57.099 58.000 -0.061 0.000 1.099 553 F CB 0.087 39.056 39.000 -0.050 0.000 1.205 553 F HN 0.393 nan 8.300 nan 0.000 0.535 554 M N -0.466 118.742 119.600 -0.653 0.000 2.721 554 M HA 0.576 5.056 4.480 0.000 0.000 0.271 554 M C -1.853 174.237 176.300 -0.350 0.000 1.259 554 M CA -0.853 54.182 55.300 -0.443 0.000 0.835 554 M CB 1.965 34.264 32.600 -0.501 0.000 1.689 554 M HN -0.250 nan 8.290 nan 0.000 0.470 555 D N 2.032 122.251 120.400 -0.301 0.000 2.304 555 D HA 0.533 5.173 4.640 0.000 0.000 0.247 555 D C -2.448 173.683 176.300 -0.282 0.000 1.089 555 D CA -0.826 52.938 54.000 -0.394 0.000 0.910 555 D CB 0.954 41.262 40.800 -0.820 0.000 1.199 555 D HN 0.344 nan 8.370 nan 0.000 0.426 556 P HA 0.225 nan 4.420 nan 0.000 0.276 556 P C -2.532 174.689 177.300 -0.131 0.000 1.252 556 P CA -1.290 61.725 63.100 -0.141 0.000 0.802 556 P CB -0.167 31.484 31.700 -0.082 0.000 1.035 557 P HA 0.037 nan 4.420 nan 0.000 0.271 557 P C 0.862 178.045 177.300 -0.195 0.000 1.216 557 P CA 0.625 63.351 63.100 -0.623 0.000 0.776 557 P CB 0.233 31.069 31.700 -1.439 0.000 0.881 558 G N 3.686 112.451 108.800 -0.060 0.000 2.698 558 G HA2 -0.352 3.608 3.960 0.000 0.000 0.337 558 G HA3 -0.352 3.608 3.960 0.000 0.000 0.337 558 G C 0.767 175.659 174.900 -0.013 0.000 1.286 558 G CA 1.484 46.552 45.100 -0.053 0.000 1.000 558 G HN 0.751 nan 8.290 nan 0.000 0.547 559 T N -1.147 113.440 114.554 0.056 0.000 3.223 559 T HA 0.699 5.050 4.350 0.000 0.000 0.259 559 T C 0.839 175.673 174.700 0.224 0.000 1.015 559 T CA 1.094 63.286 62.100 0.153 0.000 0.908 559 T CB 0.124 69.202 68.868 0.349 0.000 1.054 559 T HN 1.810 nan 8.240 nan 0.000 0.567 560 A N 1.817 124.704 122.820 0.110 0.000 2.466 560 A HA 0.653 4.973 4.320 0.000 0.000 0.238 560 A C 0.028 177.653 177.584 0.068 0.000 1.074 560 A CA -0.346 51.749 52.037 0.096 0.000 0.774 560 A CB 0.145 19.110 19.000 -0.059 0.000 1.015 560 A HN 0.729 nan 8.150 nan 0.000 0.498 561 M N 1.569 121.222 119.600 0.088 0.000 2.484 561 M HA 0.595 5.075 4.480 0.000 0.000 0.289 561 M C -0.021 176.322 176.300 0.072 0.000 1.206 561 M CA -0.581 54.736 55.300 0.030 0.000 0.892 561 M CB 1.971 34.522 32.600 -0.081 0.000 1.712 561 M HN 1.021 nan 8.290 nan 0.000 0.462 562 A N 2.455 125.314 122.820 0.063 0.000 2.587 562 A HA 0.019 4.340 4.320 0.000 0.000 0.235 562 A C 0.583 178.281 177.584 0.189 0.000 1.044 562 A CA 0.383 52.480 52.037 0.099 0.000 0.754 562 A CB -0.117 18.936 19.000 0.089 0.000 0.968 562 A HN 0.988 nan 8.150 nan 0.000 0.509 563 D N 1.437 121.976 120.400 0.231 0.000 2.149 563 D HA -0.197 4.443 4.640 0.000 0.000 0.198 563 D C 2.082 178.642 176.300 0.433 0.000 0.990 563 D CA 2.136 56.394 54.000 0.429 0.000 0.839 563 D CB -0.366 40.704 40.800 0.450 0.000 0.948 563 D HN 0.851 nan 8.370 nan 0.000 0.460 564 C N 0.251 119.741 119.300 0.317 0.000 2.422 564 C HA 0.021 4.481 4.460 0.000 0.000 0.279 564 C C 2.794 178.085 174.990 0.503 0.000 1.305 564 C CA -0.143 59.111 59.018 0.395 0.000 1.757 564 C CB -1.497 26.431 27.740 0.313 0.000 1.962 564 C HN 0.226 nan 8.230 nan 0.000 0.499 565 L N 0.455 121.896 121.223 0.364 0.000 2.240 565 L HA 0.074 4.414 4.340 0.000 0.000 0.211 565 L C 2.780 179.766 176.870 0.193 0.000 1.106 565 L CA 1.079 56.092 54.840 0.288 0.000 0.793 565 L CB -0.473 41.686 42.059 0.167 0.000 0.927 565 L HN 0.291 nan 8.230 nan 0.000 0.446 566 I N 0.283 121.001 120.570 0.247 0.000 2.252 566 I HA -0.237 3.933 4.170 0.000 0.000 0.245 566 I C 2.851 179.152 176.117 0.307 0.000 1.102 566 I CA 1.064 62.506 61.300 0.237 0.000 1.385 566 I CB -0.416 37.780 38.000 0.327 0.000 1.064 566 I HN 0.177 nan 8.210 nan 0.000 0.414 567 A N 0.970 124.077 122.820 0.479 0.000 1.908 567 A HA -0.209 4.111 4.320 0.000 0.000 0.218 567 A C 2.557 180.137 177.584 -0.007 0.000 1.181 567 A CA 2.024 54.287 52.037 0.376 0.000 0.627 567 A CB -0.845 18.329 19.000 0.291 0.000 0.818 567 A HN 0.436 nan 8.150 nan 0.000 0.445 568 A N -0.555 122.292 122.820 0.044 0.000 1.902 568 A HA -0.170 4.150 4.320 0.000 0.000 0.217 568 A C 2.244 179.733 177.584 -0.158 0.000 1.181 568 A CA 1.776 53.718 52.037 -0.159 0.000 0.623 568 A CB -0.491 18.536 19.000 0.045 0.000 0.818 568 A HN 0.550 nan 8.150 nan 0.000 0.443 569 R N -0.446 120.028 120.500 -0.044 0.000 2.081 569 R HA -0.086 4.254 4.340 0.000 0.000 0.235 569 R C 1.929 178.209 176.300 -0.033 0.000 1.131 569 R CA 1.747 57.820 56.100 -0.046 0.000 0.960 569 R CB -0.380 29.884 30.300 -0.060 0.000 0.856 569 R HN 0.576 nan 8.270 nan 0.000 0.436 570 I N 0.266 120.837 120.570 0.000 0.000 2.202 570 I HA -0.233 3.937 4.170 0.000 0.000 0.242 570 I C 2.519 178.589 176.117 -0.078 0.000 1.091 570 I CA 1.235 62.563 61.300 0.047 0.000 1.368 570 I CB -0.340 37.774 38.000 0.190 0.000 1.058 570 I HN 0.280 nan 8.210 nan 0.000 0.410 571 A N 0.964 123.631 122.820 -0.255 0.000 1.877 571 A HA -0.220 4.100 4.320 0.000 0.000 0.216 571 A C 2.072 179.537 177.584 -0.198 0.000 1.186 571 A CA 1.959 53.793 52.037 -0.338 0.000 0.620 571 A CB -0.690 17.545 19.000 -1.275 0.000 0.822 571 A HN 0.417 nan 8.150 nan 0.000 0.443 572 N N 0.259 118.849 118.700 -0.183 0.000 2.244 572 N HA -0.065 4.675 4.740 0.000 0.000 0.183 572 N C 1.856 177.310 175.510 -0.092 0.000 1.016 572 N CA 1.359 54.357 53.050 -0.087 0.000 0.866 572 N CB -0.482 37.968 38.487 -0.062 0.000 0.980 572 N HN 0.486 nan 8.380 nan 0.000 0.430 573 A N 1.129 123.887 122.820 -0.103 0.000 1.898 573 A HA -0.025 4.296 4.320 0.000 0.000 0.216 573 A C 2.377 179.847 177.584 -0.190 0.000 1.181 573 A CA 0.831 52.808 52.037 -0.100 0.000 0.620 573 A CB -0.663 18.308 19.000 -0.048 0.000 0.819 573 A HN 0.182 nan 8.150 nan 0.000 0.442 574 L N -1.126 119.914 121.223 -0.304 0.000 2.093 574 L HA -0.139 4.201 4.340 0.000 0.000 0.208 574 L C 2.743 179.351 176.870 -0.436 0.000 1.085 574 L CA 1.596 56.112 54.840 -0.541 0.000 0.755 574 L CB -0.369 41.079 42.059 -1.018 0.000 0.904 574 L HN 0.475 nan 8.230 nan 0.000 0.435 575 R N 0.442 120.781 120.500 -0.267 0.000 2.080 575 R HA -0.247 4.093 4.340 0.000 0.000 0.236 575 R C 1.970 178.276 176.300 0.011 0.000 1.137 575 R CA 2.347 58.452 56.100 0.008 0.000 0.943 575 R CB -0.333 30.030 30.300 0.105 0.000 0.846 575 R HN 0.296 nan 8.270 nan 0.000 0.431 576 D N -0.449 119.926 120.400 -0.041 0.000 2.123 576 D HA -0.191 4.450 4.640 0.000 0.000 0.196 576 D C 2.005 178.263 176.300 -0.071 0.000 0.992 576 D CA 1.749 55.727 54.000 -0.038 0.000 0.833 576 D CB 0.068 40.842 40.800 -0.044 0.000 0.954 576 D HN 0.272 nan 8.370 nan 0.000 0.455 577 M N -0.932 118.575 119.600 -0.156 0.000 2.117 577 M HA -0.173 4.307 4.480 0.000 0.000 0.262 577 M C 1.690 177.845 176.300 -0.242 0.000 1.065 577 M CA 1.186 56.343 55.300 -0.238 0.000 1.114 577 M CB -0.218 32.151 32.600 -0.386 0.000 1.361 577 M HN 0.208 nan 8.290 nan 0.000 0.408 578 Y N 0.420 120.654 120.300 -0.110 0.000 2.220 578 Y HA -0.187 4.364 4.550 0.001 0.000 0.291 578 Y C 2.526 178.409 175.900 -0.028 0.000 1.129 578 Y CA 1.301 59.365 58.100 -0.059 0.000 1.161 578 Y CB -0.607 37.837 38.460 -0.028 0.000 0.997 578 Y HN 0.273 nan 8.280 nan 0.000 0.522 579 Q N 0.224 120.099 119.800 0.124 0.000 2.030 579 Q HA -0.247 4.094 4.340 0.000 0.000 0.204 579 Q C 2.057 178.080 176.000 0.038 0.000 0.986 579 Q CA 1.880 57.727 55.803 0.075 0.000 0.843 579 Q CB -0.228 28.540 28.738 0.050 0.000 0.904 579 Q HN 0.390 nan 8.270 nan 0.000 0.420 580 K N 0.292 120.695 120.400 0.004 0.000 2.360 580 K HA -0.152 4.168 4.320 0.000 0.000 0.201 580 K C 1.021 177.612 176.600 -0.015 0.000 1.046 580 K CA 1.098 57.377 56.287 -0.013 0.000 0.945 580 K CB 0.081 32.559 32.500 -0.035 0.000 0.750 580 K HN 0.097 nan 8.250 nan 0.000 0.464 581 D N -0.596 119.799 120.400 -0.008 0.000 2.328 581 D HA 0.054 4.694 4.640 0.000 0.000 0.221 581 D C 0.467 176.788 176.300 0.035 0.000 1.072 581 D CA 0.410 54.407 54.000 -0.004 0.000 0.850 581 D CB 0.269 41.052 40.800 -0.028 0.000 0.922 581 D HN 0.244 nan 8.370 nan 0.000 0.516 582 G N 1.497 110.322 108.800 0.042 0.000 2.249 582 G HA2 -0.326 3.634 3.960 0.000 0.000 0.273 582 G HA3 -0.326 3.634 3.960 0.000 0.000 0.273 582 G C 0.180 175.118 174.900 0.062 0.000 1.036 582 G CA 0.166 45.293 45.100 0.044 0.000 0.824 582 G HN 0.398 nan 8.290 nan 0.000 0.504 583 K N 0.070 120.535 120.400 0.108 0.000 2.432 583 K HA 0.601 4.921 4.320 0.000 0.000 0.226 583 K C 1.543 178.185 176.600 0.070 0.000 1.057 583 K CA 0.056 56.405 56.287 0.104 0.000 1.034 583 K CB 0.926 33.551 32.500 0.208 0.000 1.561 583 K HN 0.275 nan 8.250 nan 0.000 0.492 584 A N 2.273 125.118 122.820 0.040 0.000 1.902 584 A HA -0.175 4.145 4.320 0.000 0.000 0.217 584 A C 1.800 179.387 177.584 0.005 0.000 1.181 584 A CA 1.318 53.374 52.037 0.031 0.000 0.623 584 A CB -0.034 18.980 19.000 0.023 0.000 0.818 584 A HN 0.526 nan 8.150 nan 0.000 0.443 585 E N -0.479 119.709 120.200 -0.020 0.000 2.077 585 E HA -0.172 4.178 4.350 0.000 0.000 0.193 585 E C 2.059 178.604 176.600 -0.091 0.000 0.989 585 E CA 1.133 57.505 56.400 -0.045 0.000 0.800 585 E CB -0.465 29.206 29.700 -0.048 0.000 0.746 585 E HN 0.494 nan 8.360 nan 0.000 0.452 586 M N 0.326 119.824 119.600 -0.170 0.000 2.132 586 M HA -0.042 4.438 4.480 0.000 0.000 0.263 586 M C 2.329 178.539 176.300 -0.151 0.000 1.065 586 M CA 1.152 56.231 55.300 -0.368 0.000 1.122 586 M CB -1.182 30.827 32.600 -0.986 0.000 1.365 586 M HN 0.053 nan 8.290 nan 0.000 0.411 587 A N 0.068 122.890 122.820 0.002 0.000 1.933 587 A HA -0.005 4.315 4.320 0.000 0.000 0.218 587 A C 2.374 180.074 177.584 0.194 0.000 1.175 587 A CA 1.947 54.108 52.037 0.207 0.000 0.628 587 A CB -0.840 18.259 19.000 0.165 0.000 0.814 587 A HN 0.485 nan 8.150 nan 0.000 0.444 588 A N -0.675 122.190 122.820 0.075 0.000 2.019 588 A HA -0.191 4.129 4.320 0.000 0.000 0.219 588 A C 2.028 179.612 177.584 -0.000 0.000 1.164 588 A CA 1.498 53.559 52.037 0.041 0.000 0.644 588 A CB -0.502 18.500 19.000 0.003 0.000 0.805 588 A HN 0.678 nan 8.150 nan 0.000 0.449 589 Q N -1.606 118.149 119.800 -0.076 0.000 2.224 589 Q HA -0.093 4.247 4.340 0.000 0.000 0.203 589 Q C 0.550 176.300 176.000 -0.417 0.000 0.970 589 Q CA 1.107 56.731 55.803 -0.297 0.000 0.865 589 Q CB -0.171 28.271 28.738 -0.494 0.000 0.922 589 Q HN 0.797 nan 8.270 nan 0.000 0.445 590 F N 0.860 120.842 119.950 0.054 0.000 2.660 590 F HA 0.174 4.702 4.527 0.001 0.000 0.302 590 F C 0.501 176.404 175.800 0.172 0.000 1.103 590 F CA -0.200 57.862 58.000 0.104 0.000 1.340 590 F CB 0.249 39.271 39.000 0.036 0.000 1.048 590 F HN -0.093 nan 8.300 nan 0.000 0.551 591 E N -0.218 120.105 120.200 0.205 0.000 2.371 591 E HA 0.427 4.777 4.350 0.000 0.000 0.257 591 E C 1.162 177.819 176.600 0.095 0.000 1.134 591 E CA 0.388 56.876 56.400 0.146 0.000 0.919 591 E CB 0.540 30.282 29.700 0.070 0.000 1.025 591 E HN 0.259 nan 8.360 nan 0.000 0.438 592 G N 0.790 109.591 108.800 0.002 0.000 2.131 592 G HA2 -0.254 3.706 3.960 0.000 0.000 0.223 592 G HA3 -0.254 3.706 3.960 0.000 0.000 0.223 592 G C 0.032 174.594 174.900 -0.564 0.000 0.990 592 G CA -0.281 44.711 45.100 -0.181 0.000 0.671 592 G HN 0.402 nan 8.290 nan 0.000 0.521 593 F N 0.837 120.500 119.950 -0.479 0.000 2.881 593 F HA 0.354 4.881 4.527 0.000 0.000 0.343 593 F C 0.647 176.002 175.800 -0.741 0.000 1.233 593 F CA -0.771 56.571 58.000 -1.097 0.000 1.262 593 F CB 0.957 39.465 39.000 -0.820 0.000 0.980 593 F HN 0.085 nan 8.300 nan 0.000 0.506 594 D N 1.045 121.310 120.400 -0.226 0.000 2.713 594 D HA 0.015 4.655 4.640 0.000 0.000 0.229 594 D C -0.851 175.603 176.300 0.256 0.000 1.136 594 D CA 0.075 54.094 54.000 0.031 0.000 1.010 594 D CB -0.028 40.819 40.800 0.078 0.000 1.084 594 D HN -0.006 nan 8.370 nan 0.000 0.495 595 W N 2.078 123.449 121.300 0.119 0.000 2.573 595 W HA 0.384 5.044 4.660 0.000 0.000 0.326 595 W C 0.899 177.457 176.519 0.064 0.000 1.049 595 W CA -1.005 56.396 57.345 0.093 0.000 1.220 595 W CB 1.358 30.896 29.460 0.130 0.000 1.373 595 W HN 0.008 nan 8.180 nan 0.000 0.507 596 K N 0.688 121.244 120.400 0.260 0.000 2.370 596 K HA 0.132 4.453 4.320 0.000 0.000 0.194 596 K C 0.421 177.088 176.600 0.111 0.000 1.070 596 K CA 0.456 56.830 56.287 0.144 0.000 0.998 596 K CB 0.999 33.555 32.500 0.093 0.000 0.911 596 K HN 0.398 nan 8.250 nan 0.000 0.533 597 T N 0.311 114.929 114.554 0.108 0.000 2.843 597 T HA 0.093 4.443 4.350 0.000 0.000 0.302 597 T C 0.410 175.131 174.700 0.034 0.000 1.232 597 T CA -0.515 61.622 62.100 0.061 0.000 1.009 597 T CB 1.534 70.418 68.868 0.026 0.000 1.254 597 T HN 0.092 nan 8.240 nan 0.000 0.504 598 E N 1.592 121.818 120.200 0.043 0.000 2.204 598 E HA -0.215 4.136 4.350 0.000 0.000 0.195 598 E C 1.394 177.966 176.600 -0.047 0.000 0.990 598 E CA 1.403 57.820 56.400 0.029 0.000 0.821 598 E CB -0.226 29.525 29.700 0.084 0.000 0.750 598 E HN 0.859 nan 8.360 nan 0.000 0.477 599 E N 1.163 121.298 120.200 -0.108 0.000 2.160 599 E HA -0.201 4.150 4.350 0.000 0.000 0.195 599 E C 1.298 177.722 176.600 -0.292 0.000 0.991 599 E CA 1.344 57.506 56.400 -0.396 0.000 0.810 599 E CB 0.074 29.427 29.700 -0.580 0.000 0.742 599 E HN 0.211 nan 8.360 nan 0.000 0.466 600 D N 0.093 120.335 120.400 -0.263 0.000 2.144 600 D HA -0.151 4.490 4.640 0.000 0.000 0.199 600 D C 1.762 177.652 176.300 -0.683 0.000 0.984 600 D CA 1.231 55.011 54.000 -0.367 0.000 0.834 600 D CB -0.195 40.444 40.800 -0.267 0.000 0.955 600 D HN 0.306 nan 8.370 nan 0.000 0.465 601 A N 0.190 122.541 122.820 -0.782 0.000 1.969 601 A HA -0.111 4.209 4.320 0.000 0.000 0.218 601 A C 2.053 179.480 177.584 -0.262 0.000 1.169 601 A CA 0.605 52.164 52.037 -0.797 0.000 0.635 601 A CB -0.863 17.813 19.000 -0.540 0.000 0.810 601 A HN 0.237 nan 8.150 nan 0.000 0.445 602 F N 1.038 120.809 119.950 -0.298 0.000 2.113 602 F HA -0.182 4.345 4.527 0.000 0.000 0.297 602 F C 2.163 177.815 175.800 -0.246 0.000 1.103 602 F CA 1.783 59.660 58.000 -0.206 0.000 1.248 602 F CB -0.041 38.844 39.000 -0.192 0.000 0.999 602 F HN 0.197 nan 8.300 nan 0.000 0.475 603 N N 0.422 118.977 118.700 -0.242 0.000 2.166 603 N HA -0.204 4.537 4.740 0.000 0.000 0.186 603 N C 1.341 176.657 175.510 -0.323 0.000 1.019 603 N CA 1.729 54.611 53.050 -0.279 0.000 0.856 603 N CB -0.588 37.785 38.487 -0.189 0.000 0.993 603 N HN 0.399 nan 8.380 nan 0.000 0.426 604 D N -0.711 119.489 120.400 -0.334 0.000 2.277 604 D HA 0.032 4.672 4.640 0.000 0.000 0.208 604 D C 1.538 177.415 176.300 -0.705 0.000 0.962 604 D CA 0.864 54.708 54.000 -0.260 0.000 0.865 604 D CB 0.059 40.924 40.800 0.108 0.000 0.939 604 D HN 0.264 nan 8.370 nan 0.000 0.510 605 G N -0.953 107.147 108.800 -1.166 0.000 2.534 605 G HA2 -0.035 3.925 3.960 0.000 0.000 0.220 605 G HA3 -0.035 3.925 3.960 0.000 0.000 0.220 605 G C 1.142 175.484 174.900 -0.930 0.000 1.699 605 G CA -0.020 43.929 45.100 -1.918 0.000 0.769 605 G HN 0.258 nan 8.290 nan 0.000 0.632 606 F N 1.903 121.364 119.950 -0.814 0.000 2.087 606 F HA -0.083 4.444 4.527 0.000 0.000 0.299 606 F C 2.773 178.152 175.800 -0.700 0.000 1.100 606 F CA 1.902 59.465 58.000 -0.729 0.000 1.226 606 F CB 0.152 38.583 39.000 -0.949 0.000 0.983 606 F HN -0.039 nan 8.300 nan 0.000 0.479 607 R N -0.385 119.806 120.500 -0.515 0.000 2.307 607 R HA 0.026 4.367 4.340 0.000 0.000 0.199 607 R C 1.790 177.911 176.300 -0.298 0.000 1.000 607 R CA 0.392 56.267 56.100 -0.375 0.000 1.023 607 R CB -0.125 29.968 30.300 -0.345 0.000 0.908 607 R HN 0.328 nan 8.270 nan 0.000 0.473 608 R N 0.140 120.414 120.500 -0.375 0.000 2.365 608 R HA 0.224 4.564 4.340 0.000 0.000 0.223 608 R C 0.147 176.279 176.300 -0.280 0.000 0.899 608 R CA -0.076 55.846 56.100 -0.296 0.000 1.059 608 R CB 0.738 30.861 30.300 -0.295 0.000 1.086 608 R HN 0.006 nan 8.270 nan 0.000 0.522 609 A N 0.687 123.299 122.820 -0.346 0.000 2.566 609 A HA 0.313 4.633 4.320 0.000 0.000 0.245 609 A C 1.179 178.652 177.584 -0.184 0.000 1.056 609 A CA 1.071 52.944 52.037 -0.273 0.000 0.757 609 A CB -0.343 18.455 19.000 -0.336 0.000 0.979 609 A HN 0.538 nan 8.150 nan 0.000 0.508 610 G N 1.212 109.935 108.800 -0.129 0.000 2.175 610 G HA2 -0.228 3.733 3.960 0.000 0.000 0.265 610 G HA3 -0.228 3.733 3.960 0.000 0.000 0.265 610 G C 0.248 175.086 174.900 -0.103 0.000 0.979 610 G CA 0.677 45.721 45.100 -0.092 0.000 0.663 610 G HN 0.878 nan 8.290 nan 0.000 0.533 611 Q N 0.130 119.851 119.800 -0.133 0.000 2.256 611 Q HA 0.455 4.795 4.340 0.000 0.000 0.232 611 Q C -2.220 173.713 176.000 -0.112 0.000 0.965 611 Q CA -1.999 53.711 55.803 -0.154 0.000 0.908 611 Q CB 0.104 28.724 28.738 -0.198 0.000 1.209 611 Q HN 0.191 nan 8.270 nan 0.000 0.489 612 P HA 0.056 nan 4.420 nan 0.000 0.263 612 P C 0.475 177.736 177.300 -0.064 0.000 1.195 612 P CA 1.048 64.102 63.100 -0.076 0.000 0.762 612 P CB 0.220 31.874 31.700 -0.076 0.000 0.799 613 G N 1.920 110.693 108.800 -0.046 0.000 2.184 613 G HA2 -0.187 3.774 3.960 0.000 0.000 0.264 613 G HA3 -0.187 3.774 3.960 0.000 0.000 0.264 613 G C 0.457 175.338 174.900 -0.031 0.000 0.975 613 G CA 0.033 45.112 45.100 -0.034 0.000 0.642 613 G HN 0.869 nan 8.290 nan 0.000 0.536 614 A N 0.829 123.623 122.820 -0.043 0.000 2.322 614 A HA 0.787 5.107 4.320 0.000 0.000 0.269 614 A C -0.539 177.039 177.584 -0.011 0.000 1.094 614 A CA -0.355 51.659 52.037 -0.038 0.000 0.807 614 A CB 0.520 19.471 19.000 -0.081 0.000 1.047 614 A HN 0.365 nan 8.150 nan 0.000 0.487 615 P HA 0.443 nan 4.420 nan 0.000 0.282 615 P C -0.302 177.028 177.300 0.050 0.000 1.287 615 P CA -0.287 62.840 63.100 0.045 0.000 0.792 615 P CB 0.556 32.308 31.700 0.087 0.000 1.163 616 A N 0.571 123.429 122.820 0.062 0.000 2.522 616 A HA 0.342 4.662 4.320 0.000 0.000 0.256 616 A C 0.287 177.944 177.584 0.122 0.000 1.086 616 A CA 0.231 52.310 52.037 0.070 0.000 0.763 616 A CB -1.102 17.938 19.000 0.067 0.000 1.024 616 A HN 0.427 nan 8.150 nan 0.000 0.502 617 I N 2.606 123.230 120.570 0.091 0.000 2.534 617 I HA 0.227 4.397 4.170 0.000 0.000 0.288 617 I C -1.194 174.991 176.117 0.115 0.000 1.077 617 I CA -0.756 60.613 61.300 0.115 0.000 1.051 617 I CB 2.321 40.284 38.000 -0.062 0.000 1.234 617 I HN 0.493 nan 8.210 nan 0.000 0.425 618 D N 4.697 125.230 120.400 0.223 0.000 2.359 618 D HA 0.333 4.974 4.640 0.000 0.000 0.230 618 D C -0.503 175.984 176.300 0.312 0.000 1.118 618 D CA 0.213 54.377 54.000 0.272 0.000 0.844 618 D CB 1.870 42.923 40.800 0.421 0.000 1.059 618 D HN 0.313 nan 8.370 nan 0.000 0.493 619 S N 1.760 117.569 115.700 0.182 0.000 2.538 619 S HA 0.142 4.612 4.470 0.000 0.000 0.288 619 S C 0.736 175.423 174.600 0.145 0.000 1.108 619 S CA -0.568 57.729 58.200 0.162 0.000 0.971 619 S CB 1.518 64.633 63.200 -0.142 0.000 1.041 619 S HN 0.257 nan 8.310 nan 0.000 0.483 620 Q N 2.554 122.555 119.800 0.335 0.000 2.437 620 Q HA 0.025 4.365 4.340 0.000 0.000 0.210 620 Q C 1.719 177.791 176.000 0.120 0.000 0.972 620 Q CA 1.086 57.069 55.803 0.300 0.000 0.903 620 Q CB -0.088 28.964 28.738 0.524 0.000 0.967 620 Q HN 0.872 nan 8.270 nan 0.000 0.486 621 G N -0.047 108.640 108.800 -0.189 0.000 2.683 621 G HA2 0.277 4.237 3.960 0.000 0.000 0.213 621 G HA3 0.277 4.237 3.960 0.000 0.000 0.213 621 G C 0.708 175.339 174.900 -0.448 0.000 1.142 621 G CA 0.240 45.001 45.100 -0.565 0.000 0.793 621 G HN 0.493 nan 8.290 nan 0.000 0.534 622 G N -0.010 108.604 108.800 -0.310 0.000 2.697 622 G HA2 -0.146 3.814 3.960 0.000 0.000 0.240 622 G HA3 -0.146 3.814 3.960 0.000 0.000 0.240 622 G C 1.250 175.997 174.900 -0.254 0.000 1.346 622 G CA 0.808 45.785 45.100 -0.205 0.000 0.887 622 G HN 1.258 nan 8.290 nan 0.000 0.569 623 S N -1.662 113.950 115.700 -0.147 0.000 2.555 623 S HA 0.083 4.554 4.470 0.000 0.000 0.230 623 S C 1.895 176.475 174.600 -0.034 0.000 0.978 623 S CA 1.875 60.017 58.200 -0.096 0.000 0.934 623 S CB -0.286 62.886 63.200 -0.047 0.000 0.766 623 S HN 2.034 nan 8.310 nan 0.000 0.533 624 T N -2.808 111.663 114.554 -0.138 0.000 3.105 624 T HA 0.398 4.748 4.350 0.000 0.000 0.253 624 T C 1.698 176.148 174.700 -0.416 0.000 1.047 624 T CA 0.247 62.203 62.100 -0.240 0.000 0.944 624 T CB 0.086 68.850 68.868 -0.173 0.000 1.016 624 T HN 0.339 nan 8.240 nan 0.000 0.544 625 G N 2.274 110.814 108.800 -0.432 0.000 2.462 625 G HA2 -0.285 3.675 3.960 0.000 0.000 0.220 625 G HA3 -0.285 3.675 3.960 0.000 0.000 0.220 625 G C 1.258 175.985 174.900 -0.287 0.000 1.121 625 G CA 1.079 45.826 45.100 -0.588 0.000 0.758 625 G HN 0.889 nan 8.290 nan 0.000 0.559 626 H N -0.239 118.694 119.070 -0.228 0.000 2.489 626 H HA 0.133 4.690 4.556 0.000 0.000 0.293 626 H C 2.103 177.375 175.328 -0.094 0.000 1.066 626 H CA 0.796 56.747 56.048 -0.162 0.000 1.305 626 H CB -0.395 29.270 29.762 -0.162 0.000 1.386 626 H HN 0.333 nan 8.280 nan 0.000 0.551 627 L N 0.704 121.576 121.223 -0.584 0.000 2.362 627 L HA 0.026 4.366 4.340 0.000 0.000 0.219 627 L C 0.229 176.999 176.870 -0.166 0.000 1.134 627 L CA -0.040 54.617 54.840 -0.305 0.000 0.807 627 L CB 0.038 41.967 42.059 -0.217 0.000 0.927 627 L HN 0.162 nan 8.230 nan 0.000 0.447 628 V N 0.114 120.008 119.914 -0.033 0.000 2.546 628 V HA 0.299 4.419 4.120 0.000 0.000 0.284 628 V C 0.378 176.567 176.094 0.157 0.000 1.050 628 V CA -0.254 62.101 62.300 0.091 0.000 0.981 628 V CB 1.181 33.179 31.823 0.292 0.000 0.990 628 V HN 0.352 nan 8.190 nan 0.000 0.474 629 T N 0.592 115.201 114.554 0.092 0.000 2.883 629 T HA 0.457 4.807 4.350 0.000 0.000 0.296 629 T C 0.598 175.379 174.700 0.134 0.000 1.117 629 T CA -0.592 61.595 62.100 0.145 0.000 1.006 629 T CB 1.097 69.939 68.868 -0.043 0.000 1.191 629 T HN 0.378 nan 8.240 nan 0.000 0.508 630 Y N 0.342 120.559 120.300 -0.139 0.000 2.165 630 Y HA -0.187 4.363 4.550 0.000 0.000 0.286 630 Y C 2.252 178.072 175.900 -0.132 0.000 1.155 630 Y CA 0.948 58.921 58.100 -0.212 0.000 1.164 630 Y CB -0.073 38.264 38.460 -0.204 0.000 0.978 630 Y HN 0.644 nan 8.280 nan 0.000 0.513 631 D N -0.178 120.263 120.400 0.068 0.000 2.144 631 D HA -0.133 4.507 4.640 0.000 0.000 0.199 631 D C 2.086 178.387 176.300 0.002 0.000 0.984 631 D CA 1.162 55.172 54.000 0.017 0.000 0.834 631 D CB -0.250 40.549 40.800 -0.001 0.000 0.955 631 D HN 0.294 nan 8.370 nan 0.000 0.465 632 R N -0.114 120.370 120.500 -0.028 0.000 2.092 632 R HA 0.050 4.390 4.340 0.000 0.000 0.231 632 R C 2.464 178.776 176.300 0.020 0.000 1.119 632 R CA 0.476 56.574 56.100 -0.002 0.000 0.970 632 R CB -0.186 30.043 30.300 -0.118 0.000 0.864 632 R HN 0.205 nan 8.270 nan 0.000 0.440 633 L N 0.037 121.248 121.223 -0.020 0.000 2.093 633 L HA -0.130 4.210 4.340 0.000 0.000 0.208 633 L C 2.735 179.574 176.870 -0.050 0.000 1.085 633 L CA 1.171 55.982 54.840 -0.049 0.000 0.755 633 L CB -0.359 41.621 42.059 -0.132 0.000 0.904 633 L HN 0.178 nan 8.230 nan 0.000 0.435 634 R N 0.720 121.188 120.500 -0.054 0.000 2.096 634 R HA -0.177 4.163 4.340 0.000 0.000 0.235 634 R C 2.224 178.520 176.300 -0.007 0.000 1.127 634 R CA 1.411 57.485 56.100 -0.044 0.000 0.968 634 R CB 0.019 30.296 30.300 -0.039 0.000 0.861 634 R HN 0.277 nan 8.270 nan 0.000 0.440 635 K N -0.395 120.015 120.400 0.017 0.000 2.211 635 K HA -0.020 4.300 4.320 0.000 0.000 0.203 635 K C 1.928 178.549 176.600 0.036 0.000 1.050 635 K CA 1.353 57.662 56.287 0.037 0.000 0.945 635 K CB 0.073 32.616 32.500 0.071 0.000 0.732 635 K HN 0.070 nan 8.250 nan 0.000 0.451 636 S N 0.217 115.937 115.700 0.032 0.000 2.515 636 S HA 0.029 4.499 4.470 0.000 0.000 0.231 636 S C 0.901 175.507 174.600 0.012 0.000 0.987 636 S CA 0.585 58.801 58.200 0.027 0.000 0.936 636 S CB -0.183 63.033 63.200 0.026 0.000 0.766 636 S HN 0.628 nan 8.310 nan 0.000 0.528 637 G N 2.122 110.925 108.800 0.005 0.000 2.697 637 G HA2 -0.285 3.675 3.960 0.000 0.000 0.240 637 G HA3 -0.285 3.675 3.960 0.000 0.000 0.240 637 G C 0.229 175.121 174.900 -0.013 0.000 1.346 637 G CA 0.016 45.120 45.100 0.007 0.000 0.887 637 G HN 0.330 nan 8.290 nan 0.000 0.569 638 N N 0.900 119.588 118.700 -0.020 0.000 2.520 638 N HA -0.065 4.676 4.740 0.000 0.000 0.185 638 N C 1.854 177.345 175.510 -0.032 0.000 1.068 638 N CA 1.020 54.044 53.050 -0.045 0.000 0.911 638 N CB -0.263 38.170 38.487 -0.090 0.000 0.961 638 N HN 0.450 nan 8.380 nan 0.000 0.446 639 N N 0.614 119.303 118.700 -0.019 0.000 2.331 639 N HA -0.026 4.715 4.740 0.000 0.000 0.180 639 N C 1.455 176.955 175.510 -0.017 0.000 1.019 639 N CA 0.793 53.835 53.050 -0.015 0.000 0.881 639 N CB -0.207 38.277 38.487 -0.005 0.000 0.972 639 N HN 0.252 nan 8.380 nan 0.000 0.435 640 G N 0.347 109.139 108.800 -0.014 0.000 2.594 640 G HA2 -0.299 3.661 3.960 0.000 0.000 0.297 640 G HA3 -0.299 3.661 3.960 0.000 0.000 0.297 640 G C -0.342 174.559 174.900 0.002 0.000 1.273 640 G CA 0.419 45.512 45.100 -0.011 0.000 0.974 640 G HN 0.512 nan 8.290 nan 0.000 0.552 641 V N -0.041 119.877 119.914 0.006 0.000 2.932 641 V HA 0.626 4.746 4.120 0.000 0.000 0.307 641 V C -0.377 175.719 176.094 0.003 0.000 1.147 641 V CA -0.375 61.932 62.300 0.011 0.000 0.951 641 V CB 1.898 33.744 31.823 0.037 0.000 1.031 641 V HN 0.937 nan 8.190 nan 0.000 0.426 642 Q N 4.689 124.479 119.800 -0.016 0.000 2.288 642 Q HA 0.505 4.846 4.340 0.000 0.000 0.258 642 Q C -0.692 175.303 176.000 -0.008 0.000 0.957 642 Q CA -0.246 55.539 55.803 -0.030 0.000 0.919 642 Q CB 1.573 30.274 28.738 -0.062 0.000 1.185 642 Q HN 0.627 nan 8.270 nan 0.000 0.408 643 L N 4.571 125.803 121.223 0.015 0.000 2.436 643 L HA 0.313 4.653 4.340 0.000 0.000 0.265 643 L C -2.074 174.787 176.870 -0.015 0.000 1.168 643 L CA -2.063 52.791 54.840 0.024 0.000 0.815 643 L CB 0.227 42.334 42.059 0.080 0.000 1.109 643 L HN 0.355 nan 8.230 nan 0.000 0.462 644 P HA 0.091 nan 4.420 nan 0.000 0.275 644 P C -0.675 176.606 177.300 -0.030 0.000 1.228 644 P CA -0.376 62.702 63.100 -0.038 0.000 0.786 644 P CB 0.755 32.420 31.700 -0.057 0.000 0.927 645 V N 3.608 123.504 119.914 -0.029 0.000 2.637 645 V HA -0.022 4.098 4.120 0.000 0.000 0.296 645 V C 1.594 177.670 176.094 -0.030 0.000 1.046 645 V CA 0.350 62.641 62.300 -0.015 0.000 1.066 645 V CB 1.113 32.931 31.823 -0.010 0.000 0.968 645 V HN 0.383 nan 8.190 nan 0.000 0.483 646 V N 3.337 123.243 119.914 -0.015 0.000 2.685 646 V HA 0.111 4.232 4.120 0.000 0.000 0.244 646 V C 0.779 176.871 176.094 -0.002 0.000 1.054 646 V CA 1.460 63.750 62.300 -0.016 0.000 1.076 646 V CB 0.668 32.480 31.823 -0.019 0.000 0.725 646 V HN 1.023 nan 8.190 nan 0.000 0.467 647 S N -2.498 113.212 115.700 0.017 0.000 2.611 647 S HA 0.556 5.026 4.470 0.000 0.000 0.268 647 S C -1.965 172.701 174.600 0.110 0.000 1.156 647 S CA -0.766 57.459 58.200 0.042 0.000 0.817 647 S CB 2.091 65.289 63.200 -0.003 0.000 1.122 647 S HN 0.287 nan 8.310 nan 0.000 0.466 648 W N 1.730 123.011 121.300 -0.032 0.000 3.425 648 W HA 0.620 5.280 4.660 0.001 0.000 0.318 648 W C -2.312 174.201 176.519 -0.010 0.000 1.201 648 W CA -0.106 57.225 57.345 -0.022 0.000 1.212 648 W CB 1.595 31.040 29.460 -0.025 0.000 1.355 648 W HN 1.178 nan 8.180 nan 0.000 0.515 649 D N 2.328 121.794 120.400 -1.556 0.000 2.622 649 D HA 0.169 4.809 4.640 0.000 0.000 0.255 649 D C 0.286 175.609 176.300 -1.627 0.000 1.246 649 D CA -0.528 52.497 54.000 -1.625 0.000 0.795 649 D CB 1.297 41.716 40.800 -0.636 0.000 1.369 649 D HN 0.274 nan 8.370 nan 0.000 0.425 650 E N 0.241 119.799 120.200 -1.069 0.000 2.160 650 E HA -0.172 4.178 4.350 0.000 0.000 0.195 650 E C 1.595 178.039 176.600 -0.260 0.000 0.991 650 E CA 2.274 58.429 56.400 -0.409 0.000 0.810 650 E CB -0.173 29.454 29.700 -0.122 0.000 0.742 650 E HN 0.451 nan 8.360 nan 0.000 0.466 651 S N -0.596 114.939 115.700 -0.276 0.000 2.395 651 S HA -0.028 4.442 4.470 0.000 0.000 0.225 651 S C 1.657 176.160 174.600 -0.163 0.000 1.027 651 S CA 0.731 58.829 58.200 -0.170 0.000 0.965 651 S CB -0.074 63.042 63.200 -0.141 0.000 0.812 651 S HN 0.216 nan 8.310 nan 0.000 0.482 652 K N 0.961 121.223 120.400 -0.229 0.000 2.354 652 K HA 0.387 4.707 4.320 0.000 0.000 0.194 652 K C 1.244 177.754 176.600 -0.150 0.000 1.038 652 K CA 0.320 56.507 56.287 -0.167 0.000 1.052 652 K CB 0.300 32.704 32.500 -0.160 0.000 0.861 652 K HN 0.505 nan 8.250 nan 0.000 0.535 653 G N 2.152 110.809 108.800 -0.238 0.000 2.645 653 G HA2 -0.291 3.669 3.960 0.000 0.000 0.239 653 G HA3 -0.291 3.669 3.960 0.000 0.000 0.239 653 G C -0.461 174.445 174.900 0.011 0.000 1.331 653 G CA -0.739 44.330 45.100 -0.053 0.000 0.890 653 G HN 0.116 nan 8.290 nan 0.000 0.572 654 L N -0.285 121.077 121.223 0.232 0.000 2.416 654 L HA 0.489 4.829 4.340 0.000 0.000 0.272 654 L C 0.536 177.452 176.870 0.077 0.000 1.161 654 L CA -0.574 54.399 54.840 0.221 0.000 0.845 654 L CB 1.076 43.253 42.059 0.196 0.000 1.119 654 L HN 0.446 nan 8.230 nan 0.000 0.464 655 V N 2.726 122.669 119.914 0.050 0.000 2.487 655 V HA 0.684 4.804 4.120 0.000 0.000 0.298 655 V C 0.507 176.606 176.094 0.008 0.000 1.028 655 V CA -0.319 61.986 62.300 0.009 0.000 0.860 655 V CB 1.456 33.268 31.823 -0.017 0.000 0.991 655 V HN 0.934 nan 8.190 nan 0.000 0.427 656 G N 3.047 111.845 108.800 -0.003 0.000 3.122 656 G HA2 0.676 4.637 3.960 0.000 0.000 0.180 656 G HA3 0.676 4.637 3.960 0.000 0.000 0.180 656 G C -0.703 174.181 174.900 -0.028 0.000 1.279 656 G CA -0.442 44.651 45.100 -0.011 0.000 0.987 656 G HN 0.538 nan 8.290 nan 0.000 0.589 657 T N 0.294 114.825 114.554 -0.038 0.000 2.840 657 T HA 0.365 4.715 4.350 0.000 0.000 0.287 657 T C 0.532 175.196 174.700 -0.060 0.000 0.991 657 T CA -0.370 61.697 62.100 -0.053 0.000 0.964 657 T CB 2.350 71.177 68.868 -0.069 0.000 0.954 657 T HN 0.545 nan 8.240 nan 0.000 0.438 658 E N 2.315 122.483 120.200 -0.054 0.000 2.051 658 E HA 0.116 4.467 4.350 0.000 0.000 0.189 658 E C 0.562 177.128 176.600 -0.056 0.000 0.979 658 E CA 0.662 57.031 56.400 -0.052 0.000 0.803 658 E CB 0.410 30.090 29.700 -0.034 0.000 0.761 658 E HN 0.485 nan 8.360 nan 0.000 0.451 659 M N 0.969 120.533 119.600 -0.060 0.000 2.446 659 M HA 0.336 4.816 4.480 0.000 0.000 0.294 659 M C -1.761 174.456 176.300 -0.138 0.000 1.158 659 M CA -0.511 54.749 55.300 -0.068 0.000 0.899 659 M CB 1.702 34.290 32.600 -0.019 0.000 1.687 659 M HN -0.102 nan 8.290 nan 0.000 0.455 660 L N 4.565 125.648 121.223 -0.232 0.000 2.379 660 L HA 0.435 4.775 4.340 0.000 0.000 0.269 660 L C -0.662 175.919 176.870 -0.482 0.000 1.084 660 L CA -0.754 53.767 54.840 -0.531 0.000 0.802 660 L CB 0.596 42.078 42.059 -0.962 0.000 1.175 660 L HN 0.931 nan 8.230 nan 0.000 0.448 661 Y N -0.937 119.266 120.300 -0.160 0.000 4.490 661 Y HA -0.261 4.290 4.550 0.000 0.000 0.233 661 Y C 1.858 177.622 175.900 -0.227 0.000 1.101 661 Y CA 0.716 58.616 58.100 -0.334 0.000 2.010 661 Y CB -2.837 35.392 38.460 -0.384 0.000 1.622 661 Y HN 0.812 nan 8.280 nan 0.000 0.675 662 T N -3.346 111.175 114.554 -0.055 0.000 3.051 662 T HA -0.080 4.270 4.350 0.000 0.000 0.269 662 T C 1.133 175.827 174.700 -0.009 0.000 1.127 662 T CA 1.575 63.670 62.100 -0.007 0.000 1.107 662 T CB 0.101 68.963 68.868 -0.009 0.000 0.898 662 T HN 0.470 nan 8.240 nan 0.000 0.517 663 E N 0.567 120.727 120.200 -0.066 0.000 2.538 663 E HA 0.291 4.641 4.350 0.000 0.000 0.207 663 E C 1.399 177.880 176.600 -0.200 0.000 1.002 663 E CA 0.335 56.698 56.400 -0.061 0.000 0.952 663 E CB 0.511 30.192 29.700 -0.032 0.000 1.031 663 E HN 0.647 nan 8.360 nan 0.000 0.476 664 G N 2.539 111.145 108.800 -0.324 0.000 2.143 664 G HA2 -0.311 3.649 3.960 0.000 0.000 0.248 664 G HA3 -0.311 3.649 3.960 0.000 0.000 0.248 664 G C 0.055 174.657 174.900 -0.497 0.000 0.991 664 G CA 0.238 44.991 45.100 -0.578 0.000 0.689 664 G HN 0.179 nan 8.290 nan 0.000 0.522 665 K N 0.382 120.545 120.400 -0.394 0.000 2.266 665 K HA 0.537 4.857 4.320 0.000 0.000 0.274 665 K C -0.186 176.269 176.600 -0.243 0.000 1.090 665 K CA -0.452 55.736 56.287 -0.164 0.000 0.925 665 K CB 0.506 32.975 32.500 -0.053 0.000 1.225 665 K HN 0.156 nan 8.250 nan 0.000 0.458 666 F N 0.781 120.749 119.950 0.030 0.000 2.380 666 F HA 0.108 4.635 4.527 0.000 0.000 0.319 666 F C 1.105 176.892 175.800 -0.022 0.000 1.113 666 F CA -0.623 57.323 58.000 -0.091 0.000 1.056 666 F CB 0.704 39.532 39.000 -0.288 0.000 1.289 666 F HN 0.371 nan 8.300 nan 0.000 0.515 667 D N 1.221 121.721 120.400 0.167 0.000 2.713 667 D HA 0.163 4.803 4.640 0.000 0.000 0.229 667 D C -0.044 176.269 176.300 0.021 0.000 1.136 667 D CA 0.237 54.305 54.000 0.115 0.000 1.010 667 D CB -0.296 40.600 40.800 0.160 0.000 1.084 667 D HN 0.572 nan 8.370 nan 0.000 0.495 668 T N -3.327 111.225 114.554 -0.003 0.000 2.812 668 T HA 0.225 4.575 4.350 0.000 0.000 0.294 668 T C 0.995 175.712 174.700 0.027 0.000 1.159 668 T CA -0.863 61.196 62.100 -0.068 0.000 1.008 668 T CB 1.716 70.377 68.868 -0.346 0.000 1.289 668 T HN -0.051 nan 8.240 nan 0.000 0.514 669 D N 1.169 121.612 120.400 0.072 0.000 2.126 669 D HA -0.238 4.402 4.640 0.000 0.000 0.190 669 D C 1.097 177.458 176.300 0.102 0.000 1.001 669 D CA 2.224 56.283 54.000 0.098 0.000 0.841 669 D CB -0.491 40.385 40.800 0.127 0.000 0.949 669 D HN 0.727 nan 8.370 nan 0.000 0.446 670 D N -2.233 118.254 120.400 0.145 0.000 2.369 670 D HA 0.206 4.846 4.640 0.000 0.000 0.211 670 D C 1.739 178.119 176.300 0.132 0.000 1.077 670 D CA 0.346 54.426 54.000 0.133 0.000 0.842 670 D CB 0.102 40.990 40.800 0.147 0.000 0.947 670 D HN 0.484 nan 8.370 nan 0.000 0.509 671 G N 0.115 108.990 108.800 0.124 0.000 2.179 671 G HA2 -0.318 3.642 3.960 0.000 0.000 0.260 671 G HA3 -0.318 3.642 3.960 0.000 0.000 0.260 671 G C 0.165 175.209 174.900 0.241 0.000 0.977 671 G CA 0.343 45.531 45.100 0.147 0.000 0.641 671 G HN 0.474 nan 8.290 nan 0.000 0.533 672 K N 0.354 120.877 120.400 0.204 0.000 2.118 672 K HA 0.741 5.061 4.320 0.000 0.000 0.254 672 K C 0.523 177.080 176.600 -0.073 0.000 0.961 672 K CA -0.146 56.254 56.287 0.189 0.000 0.876 672 K CB 1.683 34.285 32.500 0.171 0.000 1.077 672 K HN 0.441 nan 8.250 nan 0.000 0.440 673 A N 1.885 124.428 122.820 -0.462 0.000 2.388 673 A HA 0.197 4.518 4.320 0.000 0.000 0.257 673 A C -0.850 176.559 177.584 -0.291 0.000 1.095 673 A CA -0.182 51.356 52.037 -0.832 0.000 0.791 673 A CB -0.071 18.073 19.000 -1.426 0.000 1.029 673 A HN 0.752 nan 8.150 nan 0.000 0.489 674 H N 1.077 119.921 119.070 -0.377 0.000 2.511 674 H HA 0.370 4.927 4.556 0.000 0.000 0.328 674 H C -1.067 174.108 175.328 -0.256 0.000 1.044 674 H CA -0.585 55.339 56.048 -0.206 0.000 1.212 674 H CB 0.998 30.699 29.762 -0.102 0.000 1.428 674 H HN 0.610 nan 8.280 nan 0.000 0.483 675 F N 2.436 122.379 119.950 -0.012 0.000 2.450 675 F HA 0.194 4.721 4.527 0.001 0.000 0.339 675 F C 0.694 176.455 175.800 -0.066 0.000 1.146 675 F CA 0.262 58.217 58.000 -0.074 0.000 1.267 675 F CB 0.648 39.625 39.000 -0.039 0.000 1.178 675 F HN 0.337 nan 8.300 nan 0.000 0.585 676 K N 2.842 123.282 120.400 0.066 0.000 2.443 676 K HA 0.429 4.750 4.320 0.000 0.000 0.251 676 K C -2.715 173.900 176.600 0.024 0.000 0.972 676 K CA -1.994 54.315 56.287 0.037 0.000 0.833 676 K CB 2.209 34.700 32.500 -0.015 0.000 1.317 676 K HN 0.225 nan 8.250 nan 0.000 0.441 677 P HA 0.148 nan 4.420 nan 0.000 0.274 677 P C -1.381 175.954 177.300 0.059 0.000 1.231 677 P CA -0.433 62.696 63.100 0.047 0.000 0.790 677 P CB 1.063 32.797 31.700 0.057 0.000 0.951 678 A N 3.550 126.410 122.820 0.067 0.000 2.943 678 A HA 0.478 4.798 4.320 0.000 0.000 0.327 678 A C -2.504 175.164 177.584 0.141 0.000 1.141 678 A CA -1.465 50.630 52.037 0.097 0.000 0.773 678 A CB 0.508 19.549 19.000 0.069 0.000 1.143 678 A HN 0.343 nan 8.150 nan 0.000 0.463 679 P HA 0.016 nan 4.420 nan 0.000 0.271 679 P C -0.331 177.100 177.300 0.218 0.000 1.216 679 P CA 0.019 63.207 63.100 0.145 0.000 0.771 679 P CB 0.696 32.449 31.700 0.088 0.000 0.864 680 W N 5.283 126.600 121.300 0.029 0.000 2.332 680 W HA 0.177 4.837 4.660 0.000 0.000 0.306 680 W C -0.488 176.036 176.519 0.009 0.000 1.149 680 W CA -0.547 56.809 57.345 0.018 0.000 1.271 680 W CB 0.720 30.188 29.460 0.013 0.000 1.243 680 W HN 0.359 nan 8.180 nan 0.000 0.459 681 N N 4.383 122.646 118.700 -0.728 0.000 2.184 681 N HA 0.158 4.898 4.740 0.000 0.000 0.206 681 N C 0.854 175.787 175.510 -0.961 0.000 1.151 681 N CA 0.810 53.452 53.050 -0.679 0.000 0.878 681 N CB 1.040 39.334 38.487 -0.321 0.000 1.014 681 N HN 0.734 nan 8.380 nan 0.000 0.512 682 G N 1.211 108.877 108.800 -1.890 0.000 2.693 682 G HA2 -0.259 3.702 3.960 0.000 0.000 0.226 682 G HA3 -0.259 3.702 3.960 0.000 0.000 0.226 682 G C -0.506 173.996 174.900 -0.662 0.000 1.354 682 G CA -0.667 43.714 45.100 -1.200 0.000 0.873 682 G HN 0.154 nan 8.290 nan 0.000 0.562 683 L N 1.512 122.550 121.223 -0.309 0.000 2.439 683 L HA 0.358 4.699 4.340 0.000 0.000 0.269 683 L C -1.519 175.178 176.870 -0.289 0.000 1.179 683 L CA -1.523 53.204 54.840 -0.188 0.000 0.828 683 L CB 0.588 42.597 42.059 -0.084 0.000 1.106 683 L HN 0.380 nan 8.230 nan 0.000 0.467 684 P HA 0.015 nan 4.420 nan 0.000 0.269 684 P C 0.074 177.203 177.300 -0.285 0.000 1.209 684 P CA -0.088 62.682 63.100 -0.550 0.000 0.776 684 P CB 0.829 31.630 31.700 -1.497 0.000 0.876 685 A N 2.684 125.422 122.820 -0.138 0.000 1.917 685 A HA -0.201 4.119 4.320 0.000 0.000 0.219 685 A C 2.064 179.656 177.584 0.013 0.000 1.182 685 A CA 2.417 54.427 52.037 -0.044 0.000 0.633 685 A CB -1.902 17.108 19.000 0.016 0.000 0.819 685 A HN 0.553 nan 8.150 nan 0.000 0.448 686 T N -0.482 114.117 114.554 0.075 0.000 2.720 686 T HA -0.132 4.218 4.350 0.000 0.000 0.268 686 T C 1.832 176.621 174.700 0.150 0.000 1.037 686 T CA 1.738 63.954 62.100 0.192 0.000 1.144 686 T CB -0.361 68.713 68.868 0.345 0.000 0.864 686 T HN 0.200 nan 8.240 nan 0.000 0.444 687 V N 0.955 120.884 119.914 0.025 0.000 2.488 687 V HA -0.092 4.028 4.120 0.000 0.000 0.246 687 V C 2.548 178.644 176.094 0.002 0.000 1.046 687 V CA 1.390 63.726 62.300 0.060 0.000 1.053 687 V CB -0.611 31.235 31.823 0.038 0.000 0.679 687 V HN 0.325 nan 8.190 nan 0.000 0.458 688 Q N 0.436 120.183 119.800 -0.088 0.000 2.135 688 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 688 Q C 2.194 178.130 176.000 -0.106 0.000 0.981 688 Q CA 1.905 57.609 55.803 -0.166 0.000 0.856 688 Q CB -0.335 28.314 28.738 -0.149 0.000 0.902 688 Q HN 0.690 nan 8.270 nan 0.000 0.425 689 Q N -0.943 118.852 119.800 -0.009 0.000 2.124 689 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 689 Q C 2.109 178.154 176.000 0.074 0.000 0.977 689 Q CA 1.416 57.236 55.803 0.027 0.000 0.850 689 Q CB -0.008 28.779 28.738 0.082 0.000 0.901 689 Q HN 0.409 nan 8.270 nan 0.000 0.429 690 Q N 0.598 120.511 119.800 0.188 0.000 2.119 690 Q HA -0.130 4.210 4.340 0.000 0.000 0.201 690 Q C 1.810 177.966 176.000 0.261 0.000 0.972 690 Q CA 1.128 57.154 55.803 0.371 0.000 0.847 690 Q CB -0.208 28.816 28.738 0.478 0.000 0.903 690 Q HN 0.298 nan 8.270 nan 0.000 0.433 691 K N 0.718 121.089 120.400 -0.048 0.000 2.097 691 K HA -0.151 4.169 4.320 0.000 0.000 0.206 691 K C 1.037 177.462 176.600 -0.292 0.000 1.049 691 K CA 1.395 57.378 56.287 -0.506 0.000 0.933 691 K CB 0.183 31.966 32.500 -1.194 0.000 0.717 691 K HN 0.018 nan 8.250 nan 0.000 0.442 692 D N 0.161 120.443 120.400 -0.197 0.000 2.277 692 D HA -0.095 4.545 4.640 0.000 0.000 0.208 692 D C 1.551 177.761 176.300 -0.150 0.000 0.962 692 D CA 0.927 54.831 54.000 -0.159 0.000 0.865 692 D CB 0.217 40.939 40.800 -0.129 0.000 0.939 692 D HN 0.256 nan 8.370 nan 0.000 0.510 693 K N -1.096 119.196 120.400 -0.181 0.000 2.276 693 K HA 0.006 4.327 4.320 0.000 0.000 0.198 693 K C -0.204 176.088 176.600 -0.513 0.000 1.052 693 K CA 0.310 56.358 56.287 -0.399 0.000 0.984 693 K CB 0.442 32.588 32.500 -0.590 0.000 0.836 693 K HN -0.033 nan 8.250 nan 0.000 0.490 694 Y N -0.424 119.903 120.300 0.045 0.000 2.587 694 Y HA 0.331 4.881 4.550 0.001 0.000 0.337 694 Y C 1.062 177.014 175.900 0.087 0.000 1.065 694 Y CA -1.074 57.069 58.100 0.071 0.000 1.126 694 Y CB 1.346 39.876 38.460 0.116 0.000 1.279 694 Y HN -0.250 nan 8.280 nan 0.000 0.489 695 R N 0.351 120.976 120.500 0.208 0.000 2.100 695 R HA 0.172 4.512 4.340 0.000 0.000 0.220 695 R C -0.725 175.520 176.300 -0.093 0.000 1.091 695 R CA 0.789 56.843 56.100 -0.077 0.000 0.986 695 R CB 0.142 30.198 30.300 -0.407 0.000 0.888 695 R HN 0.507 nan 8.270 nan 0.000 0.444 696 F N -0.314 119.807 119.950 0.285 0.000 2.443 696 F HA 0.229 4.756 4.527 0.001 0.000 0.335 696 F C -0.285 175.513 175.800 -0.004 0.000 1.104 696 F CA -1.288 56.825 58.000 0.187 0.000 1.013 696 F CB 0.844 39.862 39.000 0.031 0.000 1.136 696 F HN 0.008 nan 8.300 nan 0.000 0.470 697 W N 5.988 127.140 121.300 -0.246 0.000 2.303 697 W HA 0.408 5.068 4.660 0.001 0.000 0.318 697 W C -1.076 175.141 176.519 -0.504 0.000 1.362 697 W CA -1.276 55.424 57.345 -1.076 0.000 1.234 697 W CB 0.466 29.480 29.460 -0.744 0.000 1.248 697 W HN 0.378 nan 8.180 nan 0.000 0.546 698 L N 7.698 128.388 121.223 -0.888 0.000 2.556 698 L HA 0.101 4.441 4.340 0.000 0.000 0.245 698 L C 0.630 176.902 176.870 -0.998 0.000 1.174 698 L CA -0.627 53.779 54.840 -0.722 0.000 1.117 698 L CB -0.890 40.918 42.059 -0.418 0.000 1.409 698 L HN 0.458 nan 8.230 nan 0.000 0.411 699 N N 2.866 120.678 118.700 -1.479 0.000 2.415 699 N HA 0.111 4.851 4.740 0.000 0.000 0.248 699 N C -0.510 174.538 175.510 -0.770 0.000 1.271 699 N CA 0.213 52.480 53.050 -1.304 0.000 0.913 699 N CB 0.608 38.167 38.487 -1.547 0.000 1.129 699 N HN 0.633 nan 8.380 nan 0.000 0.444 700 N N -0.922 117.422 118.700 -0.593 0.000 2.859 700 N HA 0.724 5.464 4.740 0.000 0.000 0.250 700 N C -0.539 174.688 175.510 -0.472 0.000 1.341 700 N CA -0.491 52.079 53.050 -0.800 0.000 0.881 700 N CB 1.324 39.530 38.487 -0.468 0.000 1.516 700 N HN 0.676 nan 8.380 nan 0.000 0.503 701 G N -0.173 108.321 108.800 -0.509 0.000 2.404 701 G HA2 0.333 4.293 3.960 0.000 0.000 0.253 701 G HA3 0.333 4.293 3.960 0.000 0.000 0.253 701 G C -1.665 173.387 174.900 0.254 0.000 1.253 701 G CA -0.976 44.129 45.100 0.008 0.000 0.917 701 G HN 0.579 nan 8.290 nan 0.000 0.480 702 R N 0.634 121.328 120.500 0.323 0.000 2.500 702 R HA 0.566 4.906 4.340 0.000 0.000 0.275 702 R C 0.170 176.599 176.300 0.215 0.000 1.051 702 R CA -0.611 55.636 56.100 0.244 0.000 1.088 702 R CB 0.797 31.173 30.300 0.126 0.000 1.063 702 R HN 0.558 nan 8.270 nan 0.000 0.511 703 N N 1.096 119.845 118.700 0.082 0.000 2.342 703 N HA 0.035 4.775 4.740 0.000 0.000 0.293 703 N C 0.179 175.690 175.510 0.002 0.000 1.026 703 N CA -0.307 52.761 53.050 0.029 0.000 0.857 703 N CB 1.326 39.752 38.487 -0.103 0.000 1.256 703 N HN 0.556 nan 8.380 nan 0.000 0.484 704 N N 2.832 121.535 118.700 0.005 0.000 2.137 704 N HA -0.206 4.534 4.740 0.000 0.000 0.190 704 N C 0.650 176.174 175.510 0.023 0.000 1.017 704 N CA 1.991 55.030 53.050 -0.017 0.000 0.859 704 N CB 0.271 38.730 38.487 -0.046 0.000 1.002 704 N HN 0.597 nan 8.380 nan 0.000 0.428 705 E N -0.999 119.239 120.200 0.062 0.000 2.250 705 E HA 0.123 4.474 4.350 0.000 0.000 0.192 705 E C -0.214 176.445 176.600 0.099 0.000 0.986 705 E CA 0.139 56.608 56.400 0.115 0.000 0.849 705 E CB 0.383 30.242 29.700 0.264 0.000 0.797 705 E HN 0.061 nan 8.360 nan 0.000 0.482 706 V N 1.785 121.708 119.914 0.016 0.000 2.498 706 V HA 0.079 4.200 4.120 0.000 0.000 0.279 706 V C -0.564 175.565 176.094 0.058 0.000 1.048 706 V CA -0.612 61.693 62.300 0.008 0.000 0.967 706 V CB 0.896 32.623 31.823 -0.161 0.000 0.988 706 V HN 0.289 nan 8.190 nan 0.000 0.473 707 W N 6.291 127.496 121.300 -0.158 0.000 2.291 707 W HA 0.307 4.967 4.660 0.000 0.000 0.312 707 W C 0.351 176.775 176.519 -0.158 0.000 1.061 707 W CA -0.476 56.744 57.345 -0.209 0.000 1.296 707 W CB 1.043 30.220 29.460 -0.473 0.000 1.223 707 W HN 0.804 nan 8.180 nan 0.000 0.421 708 Q N 1.157 120.510 119.800 -0.745 0.000 1.932 708 Q HA -0.343 3.997 4.340 0.000 0.000 0.407 708 Q C 1.501 177.244 176.000 -0.428 0.000 0.787 708 Q CA 2.970 58.402 55.803 -0.619 0.000 0.852 708 Q CB -1.779 26.420 28.738 -0.897 0.000 3.472 708 Q HN 0.739 nan 8.270 nan 0.000 0.793 709 T N -0.977 113.454 114.554 -0.206 0.000 3.284 709 T HA 0.451 4.802 4.350 0.000 0.000 0.252 709 T C 0.855 175.472 174.700 -0.139 0.000 1.144 709 T CA 1.353 63.362 62.100 -0.152 0.000 1.021 709 T CB -0.244 68.622 68.868 -0.002 0.000 0.984 709 T HN 1.362 nan 8.240 nan 0.000 0.545 710 A N 0.928 123.640 122.820 -0.179 0.000 2.822 710 A HA -0.234 4.087 4.320 0.000 0.000 0.287 710 A C 0.936 178.349 177.584 -0.284 0.000 1.479 710 A CA 1.110 53.012 52.037 -0.225 0.000 0.779 710 A CB -2.990 15.877 19.000 -0.223 0.000 1.022 710 A HN 1.044 nan 8.150 nan 0.000 0.532 711 Y N -3.057 117.132 120.300 -0.184 0.000 2.224 711 Y HA -0.124 4.426 4.550 0.000 0.000 0.289 711 Y C 2.193 177.819 175.900 -0.456 0.000 1.146 711 Y CA 1.648 59.582 58.100 -0.275 0.000 1.182 711 Y CB -0.496 37.932 38.460 -0.053 0.000 0.983 711 Y HN 0.573 nan 8.280 nan 0.000 0.524 712 H N 0.067 118.866 119.070 -0.451 0.000 2.399 712 H HA -0.014 4.542 4.556 0.000 0.000 0.300 712 H C 1.382 176.364 175.328 -0.578 0.000 1.048 712 H CA 1.136 56.822 56.048 -0.603 0.000 1.370 712 H CB -0.243 28.706 29.762 -1.355 0.000 1.428 712 H HN 0.395 nan 8.280 nan 0.000 0.534 713 D N 1.340 121.553 120.400 -0.310 0.000 2.221 713 D HA -0.165 4.475 4.640 0.000 0.000 0.204 713 D C 2.216 178.453 176.300 -0.105 0.000 0.982 713 D CA 0.926 54.893 54.000 -0.055 0.000 0.857 713 D CB -0.187 40.640 40.800 0.044 0.000 0.934 713 D HN 0.652 nan 8.370 nan 0.000 0.475 714 Q N -0.332 119.264 119.800 -0.339 0.000 2.291 714 Q HA -0.182 4.158 4.340 0.000 0.000 0.206 714 Q C 1.106 176.830 176.000 -0.459 0.000 0.976 714 Q CA 1.217 56.731 55.803 -0.481 0.000 0.875 714 Q CB -0.470 27.819 28.738 -0.748 0.000 0.927 714 Q HN 0.440 nan 8.270 nan 0.000 0.450 715 Y N 0.492 120.730 120.300 -0.104 0.000 2.457 715 Y HA 0.215 4.765 4.550 0.001 0.000 0.263 715 Y C 0.590 176.519 175.900 0.047 0.000 1.164 715 Y CA -0.689 57.387 58.100 -0.039 0.000 1.274 715 Y CB 0.524 38.952 38.460 -0.053 0.000 1.097 715 Y HN 0.170 nan 8.280 nan 0.000 0.523 716 N N 0.856 119.675 118.700 0.199 0.000 2.422 716 N HA -0.004 4.736 4.740 0.000 0.000 0.266 716 N C 1.029 176.618 175.510 0.131 0.000 1.007 716 N CA 0.464 53.648 53.050 0.223 0.000 0.941 716 N CB 1.421 40.104 38.487 0.326 0.000 1.115 716 N HN 0.225 nan 8.380 nan 0.000 0.492 717 S N 4.509 120.271 115.700 0.103 0.000 2.382 717 S HA -0.120 4.350 4.470 0.000 0.000 0.228 717 S C 1.961 176.586 174.600 0.042 0.000 1.027 717 S CA 0.599 58.838 58.200 0.064 0.000 0.991 717 S CB -0.258 62.972 63.200 0.050 0.000 0.823 717 S HN 0.628 nan 8.310 nan 0.000 0.469 718 L N 0.098 121.346 121.223 0.041 0.000 2.056 718 L HA -0.022 4.318 4.340 0.000 0.000 0.207 718 L C 2.944 179.819 176.870 0.008 0.000 1.078 718 L CA 1.157 56.003 54.840 0.009 0.000 0.749 718 L CB -0.636 41.426 42.059 0.005 0.000 0.901 718 L HN 0.336 nan 8.230 nan 0.000 0.433 719 M N -0.608 119.033 119.600 0.067 0.000 2.159 719 M HA -0.178 4.303 4.480 0.000 0.000 0.263 719 M C 2.239 178.601 176.300 0.104 0.000 1.063 719 M CA 1.561 56.932 55.300 0.118 0.000 1.110 719 M CB -0.988 31.727 32.600 0.191 0.000 1.374 719 M HN 0.269 nan 8.290 nan 0.000 0.411 720 Q N -0.278 119.567 119.800 0.075 0.000 2.245 720 Q HA -0.102 4.238 4.340 0.000 0.000 0.201 720 Q C 1.857 177.863 176.000 0.009 0.000 0.955 720 Q CA 0.992 56.831 55.803 0.060 0.000 0.870 720 Q CB -0.294 28.470 28.738 0.043 0.000 0.945 720 Q HN 0.661 nan 8.270 nan 0.000 0.461 721 E N 0.669 120.855 120.200 -0.023 0.000 2.072 721 E HA -0.181 4.169 4.350 0.000 0.000 0.190 721 E C 1.985 178.486 176.600 -0.166 0.000 0.982 721 E CA 0.792 57.154 56.400 -0.063 0.000 0.803 721 E CB 0.171 29.838 29.700 -0.055 0.000 0.755 721 E HN 0.061 nan 8.360 nan 0.000 0.453 722 R N -0.538 119.819 120.500 -0.238 0.000 2.075 722 R HA -0.051 4.289 4.340 0.000 0.000 0.226 722 R C 0.086 175.978 176.300 -0.679 0.000 1.114 722 R CA 1.302 57.095 56.100 -0.511 0.000 0.972 722 R CB -0.032 29.886 30.300 -0.636 0.000 0.869 722 R HN 0.190 nan 8.270 nan 0.000 0.437 723 Y N 0.543 120.785 120.300 -0.097 0.000 2.562 723 Y HA 0.361 4.912 4.550 0.000 0.000 0.363 723 Y C -1.793 174.090 175.900 -0.028 0.000 0.991 723 Y CA -2.317 55.725 58.100 -0.096 0.000 1.121 723 Y CB 1.778 40.186 38.460 -0.087 0.000 1.159 723 Y HN 0.155 nan 8.280 nan 0.000 0.651 724 P HA -0.156 nan 4.420 nan 0.000 0.220 724 P C 0.267 177.608 177.300 0.070 0.000 1.148 724 P CA 1.373 64.442 63.100 -0.052 0.000 0.803 724 P CB 0.905 32.464 31.700 -0.236 0.000 0.782 725 M N -1.403 118.199 119.600 0.004 0.000 2.593 725 M HA 0.602 5.083 4.480 0.000 0.000 0.290 725 M C -1.201 175.194 176.300 0.157 0.000 1.244 725 M CA -1.083 54.328 55.300 0.185 0.000 0.857 725 M CB 2.698 35.399 32.600 0.168 0.000 1.738 725 M HN -0.236 nan 8.290 nan 0.000 0.461 726 A N 2.057 124.979 122.820 0.170 0.000 2.498 726 A HA 0.371 4.691 4.320 0.000 0.000 0.239 726 A C -1.191 176.396 177.584 0.006 0.000 1.068 726 A CA 0.155 52.121 52.037 -0.119 0.000 0.766 726 A CB -0.330 18.633 19.000 -0.062 0.000 1.003 726 A HN 0.775 nan 8.150 nan 0.000 0.497 727 Y N -0.158 120.105 120.300 -0.062 0.000 2.528 727 Y HA 0.771 5.321 4.550 0.000 0.000 0.335 727 Y C -0.560 175.356 175.900 0.026 0.000 1.093 727 Y CA -1.858 56.299 58.100 0.095 0.000 1.134 727 Y CB 1.241 39.880 38.460 0.298 0.000 1.253 727 Y HN 0.560 nan 8.280 nan 0.000 0.478 728 I N 2.346 123.041 120.570 0.209 0.000 2.439 728 I HA 0.301 4.471 4.170 0.000 0.000 0.285 728 I C -1.034 175.219 176.117 0.226 0.000 1.021 728 I CA -0.622 60.712 61.300 0.057 0.000 1.091 728 I CB 1.226 39.183 38.000 -0.072 0.000 1.242 728 I HN 0.811 nan 8.210 nan 0.000 0.439 729 E N 8.229 128.585 120.200 0.261 0.000 2.344 729 E HA 0.322 4.673 4.350 0.000 0.000 0.270 729 E C -0.896 175.779 176.600 0.125 0.000 1.021 729 E CA 0.127 56.674 56.400 0.244 0.000 0.887 729 E CB 1.108 30.944 29.700 0.226 0.000 0.997 729 E HN 0.535 nan 8.360 nan 0.000 0.429 730 M N 2.412 122.082 119.600 0.117 0.000 2.501 730 M HA 0.209 4.689 4.480 0.000 0.000 0.293 730 M C -0.208 176.151 176.300 0.099 0.000 1.192 730 M CA -0.876 54.460 55.300 0.060 0.000 0.886 730 M CB 2.147 34.739 32.600 -0.012 0.000 1.710 730 M HN 0.408 nan 8.290 nan 0.000 0.457 731 N N 2.768 121.541 118.700 0.122 0.000 2.458 731 N HA 0.074 4.815 4.740 0.000 0.000 0.258 731 N C -2.148 173.427 175.510 0.108 0.000 1.219 731 N CA -0.744 52.382 53.050 0.127 0.000 0.902 731 N CB 1.300 39.884 38.487 0.162 0.000 1.076 731 N HN 0.279 nan 8.380 nan 0.000 0.455 732 P HA -0.070 nan 4.420 nan 0.000 0.218 732 P C 0.376 177.720 177.300 0.073 0.000 1.149 732 P CA 1.036 64.180 63.100 0.073 0.000 0.817 732 P CB 0.301 32.039 31.700 0.062 0.000 0.785 733 D N -0.880 119.570 120.400 0.084 0.000 2.149 733 D HA -0.118 4.522 4.640 0.000 0.000 0.201 733 D C 1.466 177.830 176.300 0.105 0.000 0.972 733 D CA 1.027 55.077 54.000 0.082 0.000 0.835 733 D CB -0.569 40.278 40.800 0.078 0.000 0.966 733 D HN 0.148 nan 8.370 nan 0.000 0.476 734 D N 0.141 120.628 120.400 0.144 0.000 2.117 734 D HA -0.090 4.550 4.640 0.000 0.000 0.198 734 D C 2.231 178.626 176.300 0.158 0.000 0.982 734 D CA 0.501 54.628 54.000 0.211 0.000 0.828 734 D CB -0.429 40.584 40.800 0.355 0.000 0.967 734 D HN 0.183 nan 8.370 nan 0.000 0.464 735 C N 0.960 120.320 119.300 0.100 0.000 2.432 735 C HA -0.091 4.369 4.460 0.000 0.000 0.277 735 C C 2.548 177.570 174.990 0.053 0.000 1.249 735 C CA 0.428 59.479 59.018 0.055 0.000 1.725 735 C CB -0.549 27.209 27.740 0.031 0.000 2.028 735 C HN 0.371 nan 8.230 nan 0.000 0.477 736 K N 0.142 120.576 120.400 0.056 0.000 2.063 736 K HA -0.222 4.098 4.320 0.000 0.000 0.208 736 K C 2.363 178.996 176.600 0.055 0.000 1.048 736 K CA 1.290 57.604 56.287 0.046 0.000 0.928 736 K CB -0.343 32.183 32.500 0.044 0.000 0.713 736 K HN 0.489 nan 8.250 nan 0.000 0.442 737 Q N 1.054 120.899 119.800 0.074 0.000 2.084 737 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 737 Q C 1.787 177.837 176.000 0.084 0.000 0.978 737 Q CA 1.408 57.259 55.803 0.079 0.000 0.844 737 Q CB 0.013 28.809 28.738 0.097 0.000 0.898 737 Q HN 0.365 nan 8.270 nan 0.000 0.426 738 L N 0.755 122.037 121.223 0.098 0.000 2.599 738 L HA -0.014 4.326 4.340 0.000 0.000 0.230 738 L C 0.154 177.060 176.870 0.059 0.000 1.141 738 L CA 0.221 55.117 54.840 0.093 0.000 0.877 738 L CB -0.026 42.099 42.059 0.109 0.000 1.009 738 L HN 0.223 nan 8.230 nan 0.000 0.447 739 D N 0.672 121.099 120.400 0.046 0.000 2.723 739 D HA -0.152 4.488 4.640 0.000 0.000 0.236 739 D C -0.409 175.899 176.300 0.013 0.000 1.138 739 D CA 0.810 54.827 54.000 0.027 0.000 0.676 739 D CB -0.742 40.075 40.800 0.027 0.000 1.069 739 D HN 0.160 nan 8.370 nan 0.000 0.430 740 V N -3.214 116.704 119.914 0.007 0.000 2.769 740 V HA 0.961 5.082 4.120 0.000 0.000 0.312 740 V C 0.333 176.401 176.094 -0.044 0.000 1.061 740 V CA 0.068 62.357 62.300 -0.018 0.000 0.931 740 V CB 2.226 34.039 31.823 -0.016 0.000 1.010 740 V HN 0.177 nan 8.190 nan 0.000 0.433 741 T N 1.500 116.001 114.554 -0.089 0.000 2.696 741 T HA 0.687 5.037 4.350 0.000 0.000 0.291 741 T C 0.332 174.855 174.700 -0.294 0.000 1.095 741 T CA 0.083 62.101 62.100 -0.137 0.000 1.026 741 T CB 1.477 70.281 68.868 -0.107 0.000 1.390 741 T HN 1.687 nan 8.240 nan 0.000 0.513 742 G N -0.532 107.994 108.800 -0.456 0.000 2.265 742 G HA2 0.393 4.354 3.960 0.000 0.000 0.240 742 G HA3 0.393 4.354 3.960 0.000 0.000 0.240 742 G C 1.223 175.388 174.900 -1.224 0.000 1.270 742 G CA 0.573 44.966 45.100 -1.178 0.000 0.901 742 G HN 1.756 nan 8.290 nan 0.000 0.507 743 G N 2.185 110.205 108.800 -1.300 0.000 2.234 743 G HA2 -0.247 3.713 3.960 0.000 0.000 0.235 743 G HA3 -0.247 3.713 3.960 0.000 0.000 0.235 743 G C 0.258 175.143 174.900 -0.025 0.000 0.997 743 G CA 0.321 45.254 45.100 -0.277 0.000 0.623 743 G HN 0.768 nan 8.290 nan 0.000 0.514 744 D N 0.433 120.764 120.400 -0.115 0.000 2.344 744 D HA 0.542 5.182 4.640 0.000 0.000 0.244 744 D C 0.823 177.157 176.300 0.057 0.000 1.134 744 D CA 0.134 54.117 54.000 -0.027 0.000 0.930 744 D CB 1.080 41.855 40.800 -0.042 0.000 1.175 744 D HN 0.333 nan 8.370 nan 0.000 0.437 745 I N 0.956 121.570 120.570 0.074 0.000 2.412 745 I HA 0.262 4.432 4.170 0.000 0.000 0.296 745 I C 0.046 176.251 176.117 0.147 0.000 0.987 745 I CA -0.899 60.488 61.300 0.146 0.000 1.180 745 I CB 1.665 39.745 38.000 0.132 0.000 1.340 745 I HN 0.067 nan 8.210 nan 0.000 0.455 746 V N 1.981 122.000 119.914 0.175 0.000 2.864 746 V HA 0.554 4.674 4.120 0.000 0.000 0.314 746 V C -0.470 175.728 176.094 0.172 0.000 1.073 746 V CA -0.835 61.553 62.300 0.147 0.000 0.956 746 V CB 1.837 33.685 31.823 0.041 0.000 1.023 746 V HN 0.819 nan 8.190 nan 0.000 0.435 747 E N 1.592 121.844 120.200 0.088 0.000 2.249 747 E HA 0.593 4.944 4.350 0.000 0.000 0.280 747 E C -1.442 175.098 176.600 -0.100 0.000 1.016 747 E CA -0.572 55.667 56.400 -0.269 0.000 0.830 747 E CB 1.869 31.459 29.700 -0.183 0.000 1.081 747 E HN 0.693 nan 8.360 nan 0.000 0.395 748 V N 6.067 125.855 119.914 -0.211 0.000 2.448 748 V HA 0.459 4.579 4.120 0.000 0.000 0.295 748 V C -0.985 175.049 176.094 -0.099 0.000 1.025 748 V CA -0.568 61.634 62.300 -0.163 0.000 0.859 748 V CB 0.614 32.315 31.823 -0.203 0.000 0.988 748 V HN 0.663 nan 8.190 nan 0.000 0.431 749 Y N 3.206 123.375 120.300 -0.219 0.000 2.656 749 Y HA 0.871 5.421 4.550 0.000 0.000 0.334 749 Y C -0.723 174.945 175.900 -0.386 0.000 1.179 749 Y CA -1.173 56.785 58.100 -0.236 0.000 1.050 749 Y CB 1.573 39.920 38.460 -0.188 0.000 1.308 749 Y HN 0.658 nan 8.280 nan 0.000 0.456 750 N N -1.309 117.247 118.700 -0.240 0.000 3.526 750 N HA 0.228 4.968 4.740 0.000 0.000 0.328 750 N C -0.616 174.865 175.510 -0.048 0.000 1.601 750 N CA -0.398 52.260 53.050 -0.653 0.000 0.834 750 N CB 0.075 38.215 38.487 -0.577 0.000 1.983 750 N HN 0.546 nan 8.380 nan 0.000 0.579 751 D N -0.723 119.757 120.400 0.133 0.000 2.219 751 D HA 0.062 4.702 4.640 0.000 0.000 0.205 751 D C 0.969 177.157 176.300 -0.187 0.000 0.970 751 D CA 1.076 55.094 54.000 0.031 0.000 0.851 751 D CB -0.260 40.517 40.800 -0.037 0.000 0.943 751 D HN 0.396 nan 8.370 nan 0.000 0.488 752 F N 0.189 120.171 119.950 0.054 0.000 2.416 752 F HA 0.262 4.789 4.527 0.000 0.000 0.296 752 F C 1.665 177.472 175.800 0.012 0.000 1.099 752 F CA 0.624 58.646 58.000 0.037 0.000 1.427 752 F CB 0.440 39.464 39.000 0.040 0.000 1.079 752 F HN -0.069 nan 8.300 nan 0.000 0.536 753 G N -1.267 107.608 108.800 0.125 0.000 2.342 753 G HA2 0.394 4.355 3.960 0.000 0.000 0.297 753 G HA3 0.394 4.355 3.960 0.000 0.000 0.297 753 G C -1.754 173.162 174.900 0.028 0.000 1.313 753 G CA -0.492 44.645 45.100 0.062 0.000 0.830 753 G HN -0.031 nan 8.290 nan 0.000 0.506 754 S N -1.297 114.394 115.700 -0.015 0.000 2.547 754 S HA 0.852 5.322 4.470 0.000 0.000 0.281 754 S C -0.569 173.937 174.600 -0.156 0.000 1.118 754 S CA 0.454 58.605 58.200 -0.083 0.000 0.947 754 S CB 2.053 65.193 63.200 -0.101 0.000 1.053 754 S HN 1.416 nan 8.310 nan 0.000 0.482 755 T N 2.565 116.929 114.554 -0.318 0.000 2.671 755 T HA 0.800 5.151 4.350 0.000 0.000 0.300 755 T C -2.046 172.259 174.700 -0.658 0.000 1.238 755 T CA -0.377 61.556 62.100 -0.280 0.000 1.020 755 T CB 0.615 69.427 68.868 -0.094 0.000 1.503 755 T HN 0.492 nan 8.240 nan 0.000 0.497 756 F N 0.377 120.337 119.950 0.016 0.000 2.599 756 F HA 0.870 5.397 4.527 0.000 0.000 0.311 756 F C 0.178 175.997 175.800 0.033 0.000 1.076 756 F CA -0.622 57.397 58.000 0.032 0.000 0.937 756 F CB 2.376 41.405 39.000 0.048 0.000 1.282 756 F HN 0.821 nan 8.300 nan 0.000 0.460 757 A N 2.278 125.232 122.820 0.223 0.000 2.606 757 A HA 0.814 5.134 4.320 0.000 0.000 0.293 757 A C -1.125 176.588 177.584 0.216 0.000 1.082 757 A CA -0.986 51.149 52.037 0.164 0.000 0.685 757 A CB 1.704 20.725 19.000 0.035 0.000 1.284 757 A HN 0.817 nan 8.150 nan 0.000 0.408 758 M N 1.122 120.879 119.600 0.262 0.000 2.233 758 M HA 0.674 5.154 4.480 0.000 0.000 0.355 758 M C -0.740 175.701 176.300 0.236 0.000 1.191 758 M CA -0.558 54.922 55.300 0.299 0.000 1.101 758 M CB 0.908 33.747 32.600 0.399 0.000 1.592 758 M HN 0.243 nan 8.290 nan 0.000 0.461 759 V N 3.713 123.686 119.914 0.099 0.000 2.637 759 V HA 0.033 4.153 4.120 0.000 0.000 0.296 759 V C -0.861 175.250 176.094 0.028 0.000 1.046 759 V CA 0.221 62.549 62.300 0.046 0.000 1.066 759 V CB 0.177 31.971 31.823 -0.047 0.000 0.968 759 V HN 0.832 nan 8.190 nan 0.000 0.483 760 Y N 6.052 126.396 120.300 0.074 0.000 2.594 760 Y HA 0.387 4.937 4.550 0.000 0.000 0.338 760 Y C -2.419 173.534 175.900 0.089 0.000 1.019 760 Y CA -2.609 55.582 58.100 0.150 0.000 1.306 760 Y CB 1.987 40.624 38.460 0.295 0.000 1.094 760 Y HN 0.544 nan 8.280 nan 0.000 0.534 761 P HA 0.035 nan 4.420 nan 0.000 0.267 761 P C -1.160 176.291 177.300 0.253 0.000 1.205 761 P CA 0.377 63.577 63.100 0.167 0.000 0.765 761 P CB 0.993 32.733 31.700 0.066 0.000 0.828 762 V N 3.514 123.536 119.914 0.181 0.000 2.482 762 V HA 0.323 4.443 4.120 0.000 0.000 0.295 762 V C 1.119 177.269 176.094 0.092 0.000 1.026 762 V CA -0.354 62.028 62.300 0.136 0.000 0.856 762 V CB 1.324 33.199 31.823 0.087 0.000 1.001 762 V HN 0.579 nan 8.190 nan 0.000 0.424 763 A N 3.196 126.061 122.820 0.076 0.000 1.978 763 A HA -0.131 4.189 4.320 0.000 0.000 0.220 763 A C 1.767 179.386 177.584 0.059 0.000 1.170 763 A CA 1.871 53.945 52.037 0.062 0.000 0.636 763 A CB -0.177 18.851 19.000 0.047 0.000 0.810 763 A HN 0.850 nan 8.150 nan 0.000 0.448 764 E N -0.236 119.992 120.200 0.046 0.000 2.338 764 E HA 0.008 4.359 4.350 0.000 0.000 0.197 764 E C 0.344 176.986 176.600 0.070 0.000 1.007 764 E CA 0.154 56.581 56.400 0.045 0.000 0.849 764 E CB -0.115 29.590 29.700 0.009 0.000 0.774 764 E HN 0.486 nan 8.360 nan 0.000 0.506 765 I N 2.068 122.687 120.570 0.081 0.000 2.588 765 I HA 0.003 4.174 4.170 0.000 0.000 0.283 765 I C 0.639 176.837 176.117 0.136 0.000 1.119 765 I CA -0.067 61.302 61.300 0.115 0.000 1.419 765 I CB 0.513 38.585 38.000 0.119 0.000 1.394 765 I HN -0.044 nan 8.210 nan 0.000 0.562 766 K N 6.145 126.645 120.400 0.166 0.000 2.237 766 K HA 0.241 4.561 4.320 0.000 0.000 0.270 766 K C 0.184 176.896 176.600 0.186 0.000 1.015 766 K CA -0.626 55.757 56.287 0.161 0.000 0.949 766 K CB 0.690 33.288 32.500 0.164 0.000 0.976 766 K HN 0.412 nan 8.250 nan 0.000 0.472 767 R N 0.518 121.111 120.500 0.156 0.000 2.640 767 R HA -0.035 4.305 4.340 0.000 0.000 0.270 767 R C 0.990 177.407 176.300 0.194 0.000 1.024 767 R CA 1.009 57.211 56.100 0.170 0.000 1.085 767 R CB 0.011 30.381 30.300 0.116 0.000 0.963 767 R HN 1.043 nan 8.270 nan 0.000 0.426 768 G N 1.454 110.395 108.800 0.235 0.000 2.184 768 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 768 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 768 G C 0.002 175.146 174.900 0.406 0.000 0.975 768 G CA 0.203 45.415 45.100 0.187 0.000 0.642 768 G HN 0.587 nan 8.290 nan 0.000 0.536 769 Q N -0.245 119.812 119.800 0.430 0.000 2.399 769 Q HA 0.730 5.071 4.340 0.000 0.000 0.276 769 Q C 0.023 176.187 176.000 0.274 0.000 1.098 769 Q CA -0.167 55.893 55.803 0.429 0.000 0.827 769 Q CB 2.385 31.418 28.738 0.492 0.000 1.386 769 Q HN 0.583 nan 8.270 nan 0.000 0.443 770 T N -2.168 112.431 114.554 0.075 0.000 2.816 770 T HA 0.728 5.079 4.350 0.000 0.000 0.299 770 T C -1.559 173.067 174.700 -0.123 0.000 1.230 770 T CA -0.721 61.354 62.100 -0.041 0.000 1.007 770 T CB 1.304 70.065 68.868 -0.179 0.000 1.289 770 T HN 0.506 nan 8.240 nan 0.000 0.508 771 F N 1.421 121.230 119.950 -0.235 0.000 2.585 771 F HA 0.714 5.242 4.527 0.000 0.000 0.319 771 F C -1.076 174.556 175.800 -0.279 0.000 1.165 771 F CA -0.992 56.833 58.000 -0.292 0.000 0.949 771 F CB 1.959 40.840 39.000 -0.198 0.000 1.218 771 F HN 0.911 nan 8.300 nan 0.000 0.453 772 M N 7.411 126.449 119.600 -0.937 0.000 2.383 772 M HA 0.478 4.958 4.480 0.000 0.000 0.325 772 M C -1.488 174.193 176.300 -1.032 0.000 1.092 772 M CA -1.279 53.552 55.300 -0.782 0.000 0.961 772 M CB 1.506 33.811 32.600 -0.493 0.000 1.672 772 M HN 0.763 nan 8.290 nan 0.000 0.438 773 L N 5.790 126.432 121.223 -0.968 0.000 2.559 773 L HA 0.190 4.530 4.340 0.000 0.000 0.274 773 L C -0.947 175.643 176.870 -0.467 0.000 1.205 773 L CA 0.643 55.024 54.840 -0.765 0.000 0.907 773 L CB -0.037 41.472 42.059 -0.916 0.000 1.153 773 L HN 0.602 nan 8.230 nan 0.000 0.490 774 F N 4.315 124.006 119.950 -0.432 0.000 2.380 774 F HA 0.656 5.184 4.527 0.000 0.000 0.321 774 F C 1.222 176.924 175.800 -0.164 0.000 1.103 774 F CA -1.036 56.790 58.000 -0.289 0.000 1.067 774 F CB 0.494 39.333 39.000 -0.268 0.000 1.265 774 F HN 0.796 nan 8.300 nan 0.000 0.517 775 G N 1.132 109.562 108.800 -0.616 0.000 2.233 775 G HA2 -0.367 3.593 3.960 0.000 0.000 0.270 775 G HA3 -0.367 3.593 3.960 0.000 0.000 0.270 775 G C -0.217 174.440 174.900 -0.405 0.000 1.011 775 G CA 0.628 45.358 45.100 -0.615 0.000 0.762 775 G HN 1.024 nan 8.290 nan 0.000 0.511 776 Y N -0.832 119.213 120.300 -0.424 0.000 2.295 776 Y HA 0.334 4.884 4.550 0.001 0.000 0.331 776 Y C 1.869 177.652 175.900 -0.193 0.000 1.311 776 Y CA -0.146 57.768 58.100 -0.311 0.000 1.430 776 Y CB 1.114 39.409 38.460 -0.275 0.000 1.339 776 Y HN 0.338 nan 8.280 nan 0.000 0.552 777 V N -0.161 119.288 119.914 -0.775 0.000 3.461 777 V HA 0.100 4.220 4.120 0.000 0.000 0.267 777 V C -0.159 175.735 176.094 -0.333 0.000 1.186 777 V CA 0.966 62.946 62.300 -0.533 0.000 1.154 777 V CB -0.547 30.902 31.823 -0.622 0.000 0.802 777 V HN 0.699 nan 8.190 nan 0.000 0.474 778 N N 1.278 119.847 118.700 -0.218 0.000 2.640 778 N HA 0.501 5.241 4.740 0.000 0.000 0.262 778 N C -0.187 175.416 175.510 0.155 0.000 1.174 778 N CA 0.476 53.531 53.050 0.009 0.000 0.791 778 N CB 0.799 39.315 38.487 0.048 0.000 1.279 778 N HN 0.742 nan 8.380 nan 0.000 0.535 779 G N 2.962 111.830 108.800 0.112 0.000 2.721 779 G HA2 -0.126 3.834 3.960 0.000 0.000 0.462 779 G HA3 -0.126 3.834 3.960 0.000 0.000 0.462 779 G C -0.561 174.376 174.900 0.063 0.000 1.062 779 G CA -0.623 44.558 45.100 0.136 0.000 1.233 779 G HN 0.515 nan 8.290 nan 0.000 0.545 780 I N 2.450 123.038 120.570 0.029 0.000 2.396 780 I HA 0.119 4.289 4.170 0.000 0.000 0.289 780 I C 1.699 177.795 176.117 -0.035 0.000 1.056 780 I CA -0.526 60.764 61.300 -0.015 0.000 1.365 780 I CB 1.614 39.604 38.000 -0.016 0.000 1.407 780 I HN 0.528 nan 8.210 nan 0.000 0.509 781 Q N 5.269 125.028 119.800 -0.067 0.000 2.167 781 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 781 Q C 1.929 177.896 176.000 -0.055 0.000 0.970 781 Q CA 1.757 57.503 55.803 -0.095 0.000 0.855 781 Q CB 0.047 28.699 28.738 -0.143 0.000 0.911 781 Q HN 0.942 nan 8.270 nan 0.000 0.438 782 G N 0.508 109.307 108.800 -0.002 0.000 2.535 782 G HA2 -0.222 3.738 3.960 0.000 0.000 0.218 782 G HA3 -0.222 3.738 3.960 0.000 0.000 0.218 782 G C 0.781 175.696 174.900 0.026 0.000 1.122 782 G CA 0.754 45.877 45.100 0.038 0.000 0.769 782 G HN 0.363 nan 8.290 nan 0.000 0.549 783 D N 0.018 120.421 120.400 0.005 0.000 2.265 783 D HA -0.105 4.536 4.640 0.000 0.000 0.208 783 D C 2.627 178.950 176.300 0.038 0.000 0.977 783 D CA 1.306 55.315 54.000 0.016 0.000 0.871 783 D CB 0.016 40.812 40.800 -0.007 0.000 0.925 783 D HN 0.419 nan 8.370 nan 0.000 0.485 784 V N -2.123 117.790 119.914 -0.001 0.000 3.621 784 V HA 0.205 4.326 4.120 0.000 0.000 0.285 784 V C 0.728 176.808 176.094 -0.024 0.000 1.346 784 V CA 0.041 62.346 62.300 0.008 0.000 1.104 784 V CB -0.683 31.100 31.823 -0.067 0.000 0.913 784 V HN 0.040 nan 8.190 nan 0.000 0.432 785 T N 0.321 114.845 114.554 -0.050 0.000 2.904 785 T HA 0.479 4.829 4.350 0.000 0.000 0.290 785 T C 0.522 175.030 174.700 -0.321 0.000 1.018 785 T CA 0.510 62.533 62.100 -0.129 0.000 1.075 785 T CB 1.262 70.106 68.868 -0.039 0.000 0.986 785 T HN 0.721 nan 8.240 nan 0.000 0.523 786 T N -0.842 113.390 114.554 -0.537 0.000 2.810 786 T HA 0.247 4.597 4.350 0.000 0.000 0.277 786 T C 0.907 175.325 174.700 -0.470 0.000 0.973 786 T CA -0.252 61.171 62.100 -1.128 0.000 0.949 786 T CB 0.661 68.944 68.868 -0.975 0.000 1.075 786 T HN 0.754 nan 8.240 nan 0.000 0.537 787 D N -1.736 118.492 120.400 -0.288 0.000 2.340 787 D HA -0.049 4.591 4.640 0.000 0.000 0.220 787 D C 0.208 176.607 176.300 0.165 0.000 1.039 787 D CA -0.512 53.546 54.000 0.096 0.000 0.866 787 D CB -0.406 40.535 40.800 0.235 0.000 0.913 787 D HN 0.643 nan 8.370 nan 0.000 0.523 788 W N 3.169 124.457 121.300 -0.020 0.000 2.264 788 W HA 0.224 4.884 4.660 0.000 0.000 0.331 788 W C 0.207 176.738 176.519 0.019 0.000 1.364 788 W CA 0.657 58.032 57.345 0.050 0.000 1.253 788 W CB 0.650 30.154 29.460 0.075 0.000 1.215 788 W HN -0.071 nan 8.180 nan 0.000 0.561 789 T N 2.627 116.625 114.554 -0.926 0.000 2.896 789 T HA 0.360 4.710 4.350 0.000 0.000 0.297 789 T C -0.217 173.590 174.700 -1.489 0.000 1.108 789 T CA -1.046 60.536 62.100 -0.863 0.000 1.004 789 T CB 1.727 70.230 68.868 -0.610 0.000 1.159 789 T HN 0.492 nan 8.240 nan 0.000 0.499 790 D N 0.596 120.523 120.400 -0.789 0.000 2.376 790 D HA 0.118 4.758 4.640 0.000 0.000 0.268 790 D C 1.633 177.740 176.300 -0.322 0.000 1.252 790 D CA -0.723 52.998 54.000 -0.465 0.000 1.041 790 D CB 0.424 41.251 40.800 0.044 0.000 1.109 790 D HN 0.822 nan 8.370 nan 0.000 0.552 791 R N -0.930 119.472 120.500 -0.165 0.000 2.193 791 R HA -0.105 4.235 4.340 0.000 0.000 0.229 791 R C 0.017 176.199 176.300 -0.196 0.000 1.110 791 R CA 1.355 57.345 56.100 -0.184 0.000 0.988 791 R CB -0.357 29.817 30.300 -0.210 0.000 0.871 791 R HN 0.305 nan 8.270 nan 0.000 0.458 792 D N 0.929 121.233 120.400 -0.160 0.000 2.402 792 D HA 0.225 4.865 4.640 0.000 0.000 0.216 792 D C 0.213 176.449 176.300 -0.107 0.000 1.128 792 D CA -0.012 53.903 54.000 -0.142 0.000 0.833 792 D CB 0.387 41.121 40.800 -0.109 0.000 0.971 792 D HN 0.284 nan 8.370 nan 0.000 0.503 793 I N 0.937 121.392 120.570 -0.191 0.000 6.063 793 I HA -0.246 3.924 4.170 0.000 0.000 0.126 793 I C -0.644 175.334 176.117 -0.230 0.000 1.820 793 I CA 0.207 61.324 61.300 -0.305 0.000 2.040 793 I CB -1.201 36.603 38.000 -0.326 0.000 3.431 793 I HN 0.065 nan 8.210 nan 0.000 0.170 794 I N 3.110 123.617 120.570 -0.105 0.000 2.304 794 I HA 0.368 4.539 4.170 0.000 0.000 0.291 794 I C -1.839 174.279 176.117 0.001 0.000 1.018 794 I CA -2.040 59.306 61.300 0.076 0.000 1.260 794 I CB 0.849 39.007 38.000 0.263 0.000 1.390 794 I HN -0.144 nan 8.210 nan 0.000 0.475 795 P HA 0.036 nan 4.420 nan 0.000 0.271 795 P C -0.523 176.854 177.300 0.130 0.000 1.218 795 P CA -0.026 62.913 63.100 -0.267 0.000 0.780 795 P CB 0.335 31.437 31.700 -0.997 0.000 0.901 796 Y N 2.658 123.080 120.300 0.203 0.000 2.667 796 Y HA 0.093 4.644 4.550 0.000 0.000 0.340 796 Y C 0.442 176.459 175.900 0.195 0.000 1.303 796 Y CA -0.520 57.781 58.100 0.335 0.000 1.769 796 Y CB -0.405 38.296 38.460 0.402 0.000 1.804 796 Y HN 0.405 nan 8.280 nan 0.000 0.451 797 Y N 1.093 121.532 120.300 0.232 0.000 2.274 797 Y HA -0.217 4.333 4.550 0.000 0.000 0.290 797 Y C 1.715 177.621 175.900 0.009 0.000 1.145 797 Y CA 0.915 59.004 58.100 -0.017 0.000 1.203 797 Y CB 0.177 38.496 38.460 -0.235 0.000 0.984 797 Y HN 0.285 nan 8.280 nan 0.000 0.533 798 K N 0.121 120.748 120.400 0.377 0.000 2.458 798 K HA 0.170 4.490 4.320 0.000 0.000 0.194 798 K C 0.507 177.152 176.600 0.076 0.000 1.024 798 K CA 0.369 56.829 56.287 0.289 0.000 1.108 798 K CB -0.021 32.811 32.500 0.553 0.000 0.846 798 K HN 0.182 nan 8.250 nan 0.000 0.518 799 G N 0.852 109.303 108.800 -0.581 0.000 2.955 799 G HA2 0.333 4.293 3.960 0.000 0.000 0.336 799 G HA3 0.333 4.293 3.960 0.000 0.000 0.336 799 G C -0.910 173.780 174.900 -0.350 0.000 1.264 799 G CA -0.136 44.307 45.100 -1.095 0.000 1.096 799 G HN 0.005 nan 8.290 nan 0.000 0.486 800 T N 0.872 115.381 114.554 -0.075 0.000 2.957 800 T HA 0.580 4.931 4.350 0.000 0.000 0.336 800 T C -1.917 172.834 174.700 0.085 0.000 1.462 800 T CA -0.582 61.572 62.100 0.090 0.000 1.073 800 T CB 1.255 70.078 68.868 -0.075 0.000 1.319 800 T HN 0.394 nan 8.240 nan 0.000 0.485 801 W N 1.828 123.192 121.300 0.107 0.000 2.864 801 W HA 0.659 5.319 4.660 0.000 0.000 0.343 801 W C 0.201 176.743 176.519 0.039 0.000 1.109 801 W CA -0.874 56.562 57.345 0.153 0.000 1.192 801 W CB 2.304 31.895 29.460 0.219 0.000 1.426 801 W HN 1.122 nan 8.180 nan 0.000 0.529 802 G N 1.214 110.115 108.800 0.168 0.000 2.600 802 G HA2 0.363 4.323 3.960 0.000 0.000 0.293 802 G HA3 0.363 4.323 3.960 0.000 0.000 0.293 802 G C -1.869 172.982 174.900 -0.081 0.000 1.408 802 G CA -0.543 44.426 45.100 -0.218 0.000 0.782 802 G HN 0.207 nan 8.290 nan 0.000 0.482 803 D N -0.736 119.383 120.400 -0.469 0.000 2.385 803 D HA 0.700 5.341 4.640 0.000 0.000 0.254 803 D C -0.165 175.907 176.300 -0.380 0.000 1.053 803 D CA -0.100 53.739 54.000 -0.269 0.000 0.992 803 D CB 1.937 42.518 40.800 -0.364 0.000 1.145 803 D HN 0.264 nan 8.370 nan 0.000 0.523 804 I N 0.773 121.328 120.570 -0.026 0.000 2.533 804 I HA 0.359 4.530 4.170 0.000 0.000 0.290 804 I C -0.276 175.933 176.117 0.152 0.000 1.056 804 I CA -0.742 60.547 61.300 -0.018 0.000 1.057 804 I CB 2.298 40.170 38.000 -0.213 0.000 1.240 804 I HN -0.001 nan 8.210 nan 0.000 0.423 805 R N 5.824 126.445 120.500 0.201 0.000 2.513 805 R HA 0.369 4.710 4.340 0.000 0.000 0.301 805 R C -0.838 175.543 176.300 0.136 0.000 0.968 805 R CA -0.805 55.419 56.100 0.207 0.000 0.872 805 R CB 1.924 32.378 30.300 0.256 0.000 1.177 805 R HN 0.566 nan 8.270 nan 0.000 0.444 806 K N 3.412 123.877 120.400 0.107 0.000 2.379 806 K HA 0.078 4.398 4.320 0.000 0.000 0.284 806 K C 0.183 176.839 176.600 0.093 0.000 1.044 806 K CA -0.216 56.121 56.287 0.084 0.000 0.974 806 K CB 1.181 33.716 32.500 0.059 0.000 0.962 806 K HN 0.462 nan 8.250 nan 0.000 0.474 807 V N 3.105 123.082 119.914 0.104 0.000 2.436 807 V HA 0.228 4.348 4.120 0.000 0.000 0.240 807 V C 0.995 177.111 176.094 0.037 0.000 1.040 807 V CA 1.254 63.609 62.300 0.092 0.000 1.052 807 V CB 0.123 32.019 31.823 0.120 0.000 0.707 807 V HN 1.077 nan 8.190 nan 0.000 0.469 808 G N -0.936 107.878 108.800 0.023 0.000 2.320 808 G HA2 0.293 4.253 3.960 0.000 0.000 0.297 808 G HA3 0.293 4.253 3.960 0.000 0.000 0.297 808 G C -1.127 173.757 174.900 -0.026 0.000 1.344 808 G CA 0.158 45.254 45.100 -0.007 0.000 0.851 808 G HN 0.137 nan 8.290 nan 0.000 0.567 809 S N -0.537 115.138 115.700 -0.042 0.000 2.465 809 S HA 0.491 4.961 4.470 0.000 0.000 0.279 809 S C 0.347 174.886 174.600 -0.102 0.000 1.201 809 S CA -0.313 57.852 58.200 -0.057 0.000 1.053 809 S CB 0.471 63.644 63.200 -0.045 0.000 0.953 809 S HN 0.749 nan 8.310 nan 0.000 0.488 810 M N 5.854 125.365 119.600 -0.148 0.000 2.497 810 M HA 0.356 4.837 4.480 0.000 0.000 0.336 810 M C 1.039 177.215 176.300 -0.208 0.000 1.378 810 M CA 0.284 55.387 55.300 -0.328 0.000 1.375 810 M CB -0.326 31.804 32.600 -0.783 0.000 1.337 810 M HN 0.671 nan 8.290 nan 0.000 0.461 811 S N 2.009 117.628 115.700 -0.136 0.000 2.387 811 S HA -0.182 4.288 4.470 0.000 0.000 0.230 811 S C 1.565 176.156 174.600 -0.015 0.000 1.035 811 S CA 1.756 59.924 58.200 -0.054 0.000 1.014 811 S CB -0.170 63.002 63.200 -0.047 0.000 0.836 811 S HN 0.828 nan 8.310 nan 0.000 0.466 812 E N 0.535 120.702 120.200 -0.055 0.000 2.150 812 E HA -0.043 4.308 4.350 0.000 0.000 0.193 812 E C 1.478 178.209 176.600 0.219 0.000 0.985 812 E CA 0.893 57.320 56.400 0.045 0.000 0.814 812 E CB -0.218 29.497 29.700 0.026 0.000 0.752 812 E HN 0.404 nan 8.360 nan 0.000 0.466 813 F N 1.135 121.130 119.950 0.075 0.000 2.146 813 F HA -0.007 4.520 4.527 0.000 0.000 0.298 813 F C 1.937 177.848 175.800 0.185 0.000 1.096 813 F CA 1.037 59.117 58.000 0.133 0.000 1.275 813 F CB -0.731 38.397 39.000 0.213 0.000 1.008 813 F HN 0.065 nan 8.300 nan 0.000 0.480 814 K N -0.111 120.489 120.400 0.334 0.000 2.097 814 K HA -0.175 4.145 4.320 0.000 0.000 0.206 814 K C 2.226 178.921 176.600 0.159 0.000 1.049 814 K CA 1.115 57.548 56.287 0.244 0.000 0.933 814 K CB -0.200 32.367 32.500 0.111 0.000 0.717 814 K HN 0.130 nan 8.250 nan 0.000 0.442 815 R N 0.709 121.279 120.500 0.117 0.000 2.148 815 R HA -0.081 4.259 4.340 0.000 0.000 0.223 815 R C 1.738 178.068 176.300 0.050 0.000 1.088 815 R CA 1.788 57.928 56.100 0.068 0.000 0.985 815 R CB 0.184 30.514 30.300 0.050 0.000 0.880 815 R HN 0.310 nan 8.270 nan 0.000 0.451 816 T N -4.047 110.546 114.554 0.065 0.000 2.975 816 T HA 0.251 4.601 4.350 0.000 0.000 0.261 816 T C 0.240 174.886 174.700 -0.091 0.000 0.984 816 T CA -0.392 61.709 62.100 0.003 0.000 0.911 816 T CB 0.622 69.507 68.868 0.029 0.000 1.127 816 T HN -0.139 nan 8.240 nan 0.000 0.514 817 V N 2.452 122.283 119.914 -0.137 0.000 2.427 817 V HA 0.609 4.729 4.120 0.000 0.000 0.286 817 V C 0.309 176.013 176.094 -0.649 0.000 1.034 817 V CA -0.891 61.146 62.300 -0.439 0.000 0.893 817 V CB 1.480 32.946 31.823 -0.596 0.000 0.982 817 V HN 0.444 nan 8.190 nan 0.000 0.452 818 S N 3.354 118.683 115.700 -0.619 0.000 2.548 818 S HA 0.452 4.923 4.470 0.000 0.000 0.277 818 S C -0.122 173.925 174.600 -0.922 0.000 1.315 818 S CA -0.267 57.615 58.200 -0.530 0.000 1.050 818 S CB 0.040 63.059 63.200 -0.301 0.000 0.918 818 S HN 0.481 nan 8.310 nan 0.000 0.497 819 F N 3.045 122.780 119.950 -0.358 0.000 2.791 819 F HA 0.398 4.925 4.527 0.000 0.000 0.308 819 F C 0.954 176.597 175.800 -0.261 0.000 1.138 819 F CA -0.576 56.988 58.000 -0.727 0.000 1.294 819 F CB 0.218 38.813 39.000 -0.675 0.000 0.975 819 F HN 0.359 nan 8.300 nan 0.000 0.512 820 K N 0.011 120.415 120.400 0.005 0.000 2.120 820 K HA 0.244 4.564 4.320 0.000 0.000 0.245 820 K C 0.726 177.436 176.600 0.182 0.000 1.024 820 K CA -0.431 55.906 56.287 0.083 0.000 0.906 820 K CB 0.704 33.211 32.500 0.011 0.000 1.051 820 K HN -0.024 nan 8.250 nan 0.000 0.491 821 S N 0.476 116.240 115.700 0.105 0.000 2.537 821 S HA 0.009 4.479 4.470 0.000 0.000 0.286 821 S C 0.684 175.301 174.600 0.029 0.000 1.299 821 S CA -0.112 58.133 58.200 0.074 0.000 1.067 821 S CB 0.260 63.469 63.200 0.015 0.000 0.864 821 S HN 0.439 nan 8.310 nan 0.000 0.494 822 R N 2.630 123.123 120.500 -0.012 0.000 2.317 822 R HA 0.160 4.501 4.340 0.000 0.000 0.208 822 R C -0.152 176.129 176.300 -0.031 0.000 0.914 822 R CA 0.086 56.168 56.100 -0.029 0.000 1.060 822 R CB 0.197 30.435 30.300 -0.104 0.000 1.015 822 R HN 0.377 nan 8.270 nan 0.000 0.498 823 R N 0.673 121.148 120.500 -0.042 0.000 2.229 823 R HA 0.140 4.481 4.340 0.000 0.000 0.332 823 R C -0.963 175.330 176.300 -0.013 0.000 0.989 823 R CA -0.484 55.587 56.100 -0.047 0.000 0.842 823 R CB 0.353 30.614 30.300 -0.066 0.000 1.119 823 R HN -0.051 nan 8.270 nan 0.000 0.456 824 F N 2.730 122.581 119.950 -0.165 0.000 2.533 824 F HA 0.387 4.915 4.527 0.000 0.000 0.378 824 F C 0.843 176.550 175.800 -0.156 0.000 1.070 824 F CA 1.304 59.195 58.000 -0.181 0.000 1.172 824 F CB 0.252 39.092 39.000 -0.267 0.000 1.085 824 F HN 0.601 nan 8.300 nan 0.000 0.552 825 G N 0.000 108.573 108.800 -0.378 0.000 5.446 825 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 825 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 825 G CA 0.000 44.978 45.100 -0.203 0.000 0.502 825 G HN 0.000 nan 8.290 nan 0.000 0.925