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 3bq5_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKAYAFGFPK IGEKREFKKA LEDFWKGKIT EEQFEEEMNK LRMYMVENYR DATA SEQUENCE KNVDVIPSNE LSYYDFVLDT AVMVGAVPER FGEYRGLSTY FDMARGGKAL DATA SEQUENCE EMTKFFNTNY HYLVPEIETE EFYLLENKPL EDYLFFKSKG IETAPWVIGP DATA SEQUENCE FTFLYLSKRN GEWIRRPNQM EKLLESLVSV YKEVFEKLVE NGCKEILVNE DATA SEQUENCE PAFVCDLEKA HWDLILNVYR ELSEFPLTVF TYYDSVSDYE ACVSLPVKRL DATA SEQUENCE HFDFVSNEEN LKNLEKHGFP EDKKLVAGVI NGRQPWKVDL RKVASLVEKL DATA SEQUENCE GASAISNSCP LFHLPVTLEL ENNLPGGLKE KLAFAKEKLE ELKMLKDFLE DATA SEQUENCE GKTFDLPNVX XXXXXXDLQA VERVRNLPED SFRREKEYTE RDRIQRERLN DATA SEQUENCE LPLFPTTTIG SFPQTPEVRK MRSKXXXXXX XXXXXXXFIK EQIKKAIELQ DATA SEQUENCE EEIGLDVLVH GEFERTDMVE FFAEKLNGIA TTQNGWVLSY GSRCYRPPII DATA SEQUENCE YGTVTRPEPM TLKEITYAQS LTEKPVKGML TGPVTIMSWS YYREDIPERE DATA SEQUENCE IAYQIALAIN EEVKDLEEAG IKIVQIDEPA FREKAPIKKS KWPEYFEWAI DATA SEQUENCE NAFNLAANAR PETQIHAHMC YSDFNEIIEY IHQLEFDVIS IEASRSKGEI DATA SEQUENCE ISAFENFKGW IKQIGVGVWD IHSPAVPSIN EMREIVERVL RVLPKELIWI DATA SEQUENCE NPDCGLKTRN WDEVIPSLRN MVALAKEMR 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.721 174.700 0.036 0.000 1.109 1 T CA 0.000 62.116 62.100 0.027 0.000 1.349 1 T CB 0.000 68.886 68.868 0.030 0.000 0.612 2 K N 2.538 122.973 120.400 0.059 0.000 2.349 2 K HA 0.646 4.966 4.320 -0.001 0.000 0.288 2 K C 0.065 176.722 176.600 0.094 0.000 1.058 2 K CA -0.366 55.946 56.287 0.042 0.000 0.953 2 K CB 0.452 32.991 32.500 0.065 0.000 0.997 2 K HN 0.687 nan 8.250 nan 0.000 0.477 3 A N 5.272 128.103 122.820 0.020 0.000 2.260 3 A HA 0.359 4.679 4.320 -0.001 0.000 0.308 3 A C -1.364 176.242 177.584 0.038 0.000 1.254 3 A CA -0.514 51.575 52.037 0.086 0.000 0.874 3 A CB 0.156 19.186 19.000 0.050 0.000 1.153 3 A HN 0.742 nan 8.150 nan 0.000 0.527 4 Y N 1.028 121.408 120.300 0.134 0.000 2.457 4 Y HA 0.638 5.188 4.550 -0.000 0.000 0.333 4 Y C 0.621 176.630 175.900 0.182 0.000 1.119 4 Y CA -0.093 58.111 58.100 0.173 0.000 1.143 4 Y CB 2.178 40.824 38.460 0.310 0.000 1.230 4 Y HN 0.867 nan 8.280 nan 0.000 0.469 5 A N 2.504 125.511 122.820 0.312 0.000 2.572 5 A HA 0.858 5.178 4.320 -0.001 0.000 0.295 5 A C -1.776 175.954 177.584 0.243 0.000 1.072 5 A CA -0.637 51.550 52.037 0.250 0.000 0.691 5 A CB 1.095 20.252 19.000 0.263 0.000 1.291 5 A HN 0.722 nan 8.150 nan 0.000 0.404 6 F N -1.452 118.496 119.950 -0.003 0.000 2.654 6 F HA 0.701 5.227 4.527 -0.001 0.000 0.308 6 F C 0.712 176.368 175.800 -0.240 0.000 1.108 6 F CA -0.332 57.556 58.000 -0.186 0.000 0.957 6 F CB 1.447 40.249 39.000 -0.330 0.000 1.309 6 F HN 1.830 nan 8.300 nan 0.000 0.446 7 G N 1.034 109.688 108.800 -0.244 0.000 2.136 7 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.242 7 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.242 7 G C -0.209 174.599 174.900 -0.155 0.000 0.989 7 G CA -0.130 44.768 45.100 -0.337 0.000 0.682 7 G HN 1.028 nan 8.290 nan 0.000 0.522 8 F N 2.104 121.956 119.950 -0.163 0.000 2.623 8 F HA 0.410 4.937 4.527 -0.000 0.000 0.383 8 F C -1.116 174.590 175.800 -0.157 0.000 1.077 8 F CA -1.005 56.846 58.000 -0.249 0.000 1.268 8 F CB 0.491 39.155 39.000 -0.560 0.000 1.053 8 F HN 0.047 nan 8.300 nan 0.000 0.571 9 P HA -0.035 nan 4.420 nan 0.000 0.266 9 P C -0.545 176.609 177.300 -0.243 0.000 1.195 9 P CA 0.200 63.052 63.100 -0.413 0.000 0.768 9 P CB 0.391 31.799 31.700 -0.486 0.000 0.838 10 K N 2.719 122.983 120.400 -0.226 0.000 2.367 10 K HA 0.099 4.419 4.320 -0.001 0.000 0.194 10 K C 1.369 177.862 176.600 -0.177 0.000 1.027 10 K CA 0.432 56.606 56.287 -0.188 0.000 1.075 10 K CB -0.373 31.902 32.500 -0.374 0.000 0.845 10 K HN 0.424 nan 8.250 nan 0.000 0.529 11 I N -1.230 119.236 120.570 -0.173 0.000 2.928 11 I HA 0.176 4.346 4.170 -0.001 0.000 0.266 11 I C 0.740 176.870 176.117 0.022 0.000 1.234 11 I CA 0.386 61.652 61.300 -0.057 0.000 1.483 11 I CB -0.638 37.336 38.000 -0.043 0.000 1.097 11 I HN 0.195 nan 8.210 nan 0.000 0.455 12 G N 1.797 110.606 108.800 0.015 0.000 2.712 12 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.686 12 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.686 12 G C -0.006 174.841 174.900 -0.088 0.000 1.321 12 G CA 0.002 45.039 45.100 -0.105 0.000 0.813 12 G HN 0.465 nan 8.290 nan 0.000 0.599 13 E N 0.103 120.199 120.200 -0.174 0.000 2.338 13 E HA -0.062 4.287 4.350 -0.001 0.000 0.197 13 E C 1.577 178.169 176.600 -0.014 0.000 1.007 13 E CA 1.243 57.620 56.400 -0.039 0.000 0.849 13 E CB 0.025 29.702 29.700 -0.038 0.000 0.774 13 E HN 0.510 nan 8.360 nan 0.000 0.506 14 K N 0.052 120.410 120.400 -0.069 0.000 2.646 14 K HA 0.267 4.586 4.320 -0.001 0.000 0.206 14 K C -0.452 176.086 176.600 -0.104 0.000 1.069 14 K CA -0.226 56.027 56.287 -0.057 0.000 1.067 14 K CB 0.781 33.243 32.500 -0.063 0.000 0.807 14 K HN -0.072 nan 8.250 nan 0.000 0.482 15 R N 0.590 121.029 120.500 -0.102 0.000 3.525 15 R HA -0.222 4.118 4.340 -0.001 0.000 0.276 15 R C 0.033 176.277 176.300 -0.093 0.000 1.116 15 R CA 0.497 56.523 56.100 -0.123 0.000 0.745 15 R CB -1.614 28.516 30.300 -0.283 0.000 1.185 15 R HN 0.311 nan 8.270 nan 0.000 0.454 16 E N -0.153 120.001 120.200 -0.077 0.000 2.160 16 E HA -0.198 4.152 4.350 -0.001 0.000 0.195 16 E C 1.277 177.841 176.600 -0.060 0.000 0.991 16 E CA 1.650 58.000 56.400 -0.083 0.000 0.810 16 E CB -0.167 29.476 29.700 -0.095 0.000 0.742 16 E HN 0.519 nan 8.360 nan 0.000 0.466 17 F N 1.627 121.494 119.950 -0.139 0.000 2.102 17 F HA -0.214 4.312 4.527 -0.001 0.000 0.298 17 F C 2.153 177.867 175.800 -0.143 0.000 1.105 17 F CA 1.755 59.679 58.000 -0.125 0.000 1.239 17 F CB -0.015 38.941 39.000 -0.074 0.000 0.991 17 F HN -0.141 nan 8.300 nan 0.000 0.474 18 K N 0.686 121.062 120.400 -0.040 0.000 2.057 18 K HA -0.207 4.112 4.320 -0.001 0.000 0.207 18 K C 2.393 178.826 176.600 -0.277 0.000 1.049 18 K CA 2.008 58.187 56.287 -0.180 0.000 0.931 18 K CB -0.318 32.101 32.500 -0.135 0.000 0.714 18 K HN 0.268 nan 8.250 nan 0.000 0.440 19 K N 0.545 120.816 120.400 -0.215 0.000 2.097 19 K HA -0.007 4.313 4.320 -0.001 0.000 0.205 19 K C 2.125 178.594 176.600 -0.218 0.000 1.050 19 K CA 1.495 57.666 56.287 -0.194 0.000 0.938 19 K CB -1.096 31.317 32.500 -0.145 0.000 0.718 19 K HN 0.443 nan 8.250 nan 0.000 0.442 20 A N 0.610 123.283 122.820 -0.246 0.000 1.858 20 A HA 0.048 4.368 4.320 -0.001 0.000 0.216 20 A C 2.429 179.882 177.584 -0.219 0.000 1.190 20 A CA 1.653 53.566 52.037 -0.207 0.000 0.617 20 A CB -0.400 18.415 19.000 -0.308 0.000 0.827 20 A HN 0.367 nan 8.150 nan 0.000 0.443 21 L N -0.094 120.827 121.223 -0.503 0.000 2.017 21 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 21 L C 2.454 178.547 176.870 -1.295 0.000 1.073 21 L CA 2.211 56.460 54.840 -0.985 0.000 0.745 21 L CB -0.671 40.655 42.059 -1.221 0.000 0.894 21 L HN 0.499 nan 8.230 nan 0.000 0.432 22 E N -1.042 118.693 120.200 -0.774 0.000 2.152 22 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 22 E C 1.656 178.127 176.600 -0.214 0.000 0.983 22 E CA 0.871 57.020 56.400 -0.418 0.000 0.818 22 E CB -0.036 29.546 29.700 -0.197 0.000 0.758 22 E HN 0.464 nan 8.360 nan 0.000 0.467 23 D N 0.452 120.736 120.400 -0.194 0.000 2.117 23 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 23 D C 1.569 177.842 176.300 -0.045 0.000 0.987 23 D CA 0.756 54.705 54.000 -0.085 0.000 0.829 23 D CB -0.261 40.507 40.800 -0.054 0.000 0.961 23 D HN 0.072 nan 8.370 nan 0.000 0.460 24 F N 0.575 120.352 119.950 -0.288 0.000 2.102 24 F HA -0.163 4.364 4.527 -0.001 0.000 0.298 24 F C 1.826 177.519 175.800 -0.179 0.000 1.105 24 F CA 1.111 58.934 58.000 -0.295 0.000 1.239 24 F CB -0.386 38.260 39.000 -0.589 0.000 0.991 24 F HN -0.012 nan 8.300 nan 0.000 0.474 25 W N 0.866 121.936 121.300 -0.382 0.000 2.358 25 W HA -0.117 4.542 4.660 -0.001 0.000 0.303 25 W C 2.654 178.991 176.519 -0.304 0.000 1.208 25 W CA 2.183 59.268 57.345 -0.433 0.000 1.274 25 W CB -1.650 27.617 29.460 -0.322 0.000 1.138 25 W HN 0.100 nan 8.180 nan 0.000 0.515 26 K N 0.164 120.574 120.400 0.017 0.000 2.365 26 K HA 0.248 4.567 4.320 -0.001 0.000 0.199 26 K C 1.673 178.236 176.600 -0.061 0.000 1.045 26 K CA 1.604 57.880 56.287 -0.017 0.000 0.962 26 K CB -1.128 31.368 32.500 -0.007 0.000 0.759 26 K HN 0.438 nan 8.250 nan 0.000 0.469 27 G N 0.817 109.552 108.800 -0.108 0.000 2.136 27 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.242 27 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.242 27 G C 0.873 175.752 174.900 -0.035 0.000 0.989 27 G CA 0.757 45.791 45.100 -0.110 0.000 0.682 27 G HN 0.808 nan 8.290 nan 0.000 0.522 28 K N -0.108 120.283 120.400 -0.015 0.000 2.444 28 K HA 0.486 4.806 4.320 -0.001 0.000 0.193 28 K C 1.159 177.776 176.600 0.027 0.000 1.024 28 K CA 0.664 56.953 56.287 0.002 0.000 1.077 28 K CB 0.234 32.730 32.500 -0.007 0.000 0.833 28 K HN 0.843 nan 8.250 nan 0.000 0.517 29 I N -1.613 118.997 120.570 0.067 0.000 2.892 29 I HA 0.416 4.585 4.170 -0.001 0.000 0.306 29 I C -0.299 175.935 176.117 0.196 0.000 1.078 29 I CA -1.204 60.160 61.300 0.106 0.000 1.032 29 I CB 2.176 40.236 38.000 0.101 0.000 1.229 29 I HN -0.012 nan 8.210 nan 0.000 0.435 30 T N -0.902 113.751 114.554 0.166 0.000 2.788 30 T HA 0.236 4.586 4.350 -0.001 0.000 0.280 30 T C 0.817 175.668 174.700 0.251 0.000 0.984 30 T CA 0.034 62.258 62.100 0.206 0.000 0.972 30 T CB 1.610 70.548 68.868 0.117 0.000 1.039 30 T HN 0.914 nan 8.240 nan 0.000 0.530 31 E N 0.472 120.838 120.200 0.276 0.000 2.110 31 E HA -0.147 4.203 4.350 -0.001 0.000 0.193 31 E C 2.501 179.105 176.600 0.008 0.000 0.988 31 E CA 1.600 58.040 56.400 0.067 0.000 0.804 31 E CB -0.557 29.246 29.700 0.172 0.000 0.745 31 E HN 0.870 nan 8.360 nan 0.000 0.458 32 E N 0.783 121.012 120.200 0.049 0.000 2.072 32 E HA -0.239 4.110 4.350 -0.001 0.000 0.191 32 E C 1.801 178.399 176.600 -0.004 0.000 0.985 32 E CA 1.507 57.920 56.400 0.022 0.000 0.801 32 E CB -0.742 28.977 29.700 0.032 0.000 0.750 32 E HN 0.477 nan 8.360 nan 0.000 0.452 33 Q N -1.776 118.034 119.800 0.015 0.000 2.224 33 Q HA 0.023 4.362 4.340 -0.001 0.000 0.203 33 Q C 2.038 178.007 176.000 -0.052 0.000 0.970 33 Q CA 1.252 57.051 55.803 -0.007 0.000 0.865 33 Q CB -0.177 28.576 28.738 0.024 0.000 0.922 33 Q HN 0.682 nan 8.270 nan 0.000 0.445 34 F N 1.791 121.596 119.950 -0.241 0.000 2.128 34 F HA -0.130 4.397 4.527 -0.001 0.000 0.295 34 F C 1.983 177.561 175.800 -0.369 0.000 1.100 34 F CA 1.140 58.902 58.000 -0.396 0.000 1.260 34 F CB 0.143 38.672 39.000 -0.784 0.000 1.009 34 F HN -0.067 nan 8.300 nan 0.000 0.476 35 E N 0.371 120.392 120.200 -0.299 0.000 2.153 35 E HA -0.247 4.103 4.350 -0.001 0.000 0.194 35 E C 1.999 178.432 176.600 -0.279 0.000 0.988 35 E CA 1.378 57.592 56.400 -0.309 0.000 0.811 35 E CB -0.383 29.261 29.700 -0.094 0.000 0.746 35 E HN 0.500 nan 8.360 nan 0.000 0.466 36 E N 1.148 121.229 120.200 -0.198 0.000 2.107 36 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 36 E C 1.769 178.265 176.600 -0.174 0.000 0.982 36 E CA 0.853 57.173 56.400 -0.134 0.000 0.809 36 E CB 0.040 29.697 29.700 -0.073 0.000 0.756 36 E HN 0.043 nan 8.360 nan 0.000 0.459 37 E N -0.105 119.940 120.200 -0.259 0.000 2.077 37 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 37 E C 1.908 178.327 176.600 -0.301 0.000 0.989 37 E CA 1.036 57.274 56.400 -0.270 0.000 0.800 37 E CB -0.219 29.286 29.700 -0.324 0.000 0.746 37 E HN 0.378 nan 8.360 nan 0.000 0.452 38 M N 0.725 120.038 119.600 -0.478 0.000 2.175 38 M HA -0.083 4.396 4.480 -0.001 0.000 0.264 38 M C 1.651 177.847 176.300 -0.174 0.000 1.063 38 M CA 0.937 56.013 55.300 -0.375 0.000 1.119 38 M CB -1.050 31.185 32.600 -0.609 0.000 1.377 38 M HN 0.019 nan 8.290 nan 0.000 0.415 39 N N 0.969 119.556 118.700 -0.188 0.000 2.166 39 N HA -0.119 4.620 4.740 -0.001 0.000 0.186 39 N C 1.611 177.149 175.510 0.046 0.000 1.019 39 N CA 1.079 54.064 53.050 -0.108 0.000 0.856 39 N CB -0.272 38.197 38.487 -0.031 0.000 0.993 39 N HN 0.436 nan 8.380 nan 0.000 0.426 40 K N 0.705 121.115 120.400 0.017 0.000 2.063 40 K HA -0.064 4.256 4.320 -0.001 0.000 0.208 40 K C 2.111 178.782 176.600 0.119 0.000 1.048 40 K CA 0.858 57.181 56.287 0.059 0.000 0.928 40 K CB -0.263 32.237 32.500 0.001 0.000 0.713 40 K HN 0.159 nan 8.250 nan 0.000 0.442 41 L N 0.576 121.853 121.223 0.091 0.000 2.056 41 L HA -0.158 4.182 4.340 -0.001 0.000 0.207 41 L C 2.582 179.602 176.870 0.251 0.000 1.078 41 L CA 1.112 56.059 54.840 0.180 0.000 0.749 41 L CB -0.377 41.769 42.059 0.144 0.000 0.901 41 L HN 0.152 nan 8.230 nan 0.000 0.433 42 R N -0.586 120.038 120.500 0.207 0.000 2.096 42 R HA -0.190 4.150 4.340 -0.001 0.000 0.240 42 R C 2.303 178.866 176.300 0.439 0.000 1.139 42 R CA 1.453 57.750 56.100 0.329 0.000 0.952 42 R CB -0.304 30.118 30.300 0.202 0.000 0.854 42 R HN 0.268 nan 8.270 nan 0.000 0.436 43 M N -0.712 119.123 119.600 0.391 0.000 2.175 43 M HA -0.155 4.325 4.480 -0.001 0.000 0.264 43 M C 2.093 178.520 176.300 0.211 0.000 1.063 43 M CA 1.342 56.847 55.300 0.343 0.000 1.119 43 M CB -1.022 31.741 32.600 0.271 0.000 1.377 43 M HN 0.143 nan 8.290 nan 0.000 0.415 44 Y N 1.312 121.670 120.300 0.097 0.000 2.128 44 Y HA -0.249 4.301 4.550 -0.001 0.000 0.284 44 Y C 2.272 178.158 175.900 -0.025 0.000 1.154 44 Y CA 2.025 60.148 58.100 0.038 0.000 1.149 44 Y CB -0.434 38.059 38.460 0.055 0.000 0.976 44 Y HN 0.140 nan 8.280 nan 0.000 0.505 45 M N -1.223 118.317 119.600 -0.099 0.000 2.086 45 M HA -0.232 4.248 4.480 -0.001 0.000 0.261 45 M C 2.067 178.158 176.300 -0.349 0.000 1.067 45 M CA 1.856 56.980 55.300 -0.293 0.000 1.116 45 M CB -0.667 31.966 32.600 0.056 0.000 1.348 45 M HN 0.139 nan 8.290 nan 0.000 0.407 46 V N 0.218 120.073 119.914 -0.099 0.000 2.407 46 V HA -0.213 3.907 4.120 -0.001 0.000 0.248 46 V C 2.405 178.407 176.094 -0.152 0.000 1.055 46 V CA 1.591 63.828 62.300 -0.105 0.000 1.049 46 V CB -0.663 30.997 31.823 -0.270 0.000 0.662 46 V HN 0.398 nan 8.190 nan 0.000 0.455 47 E N 0.222 120.318 120.200 -0.174 0.000 2.077 47 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 47 E C 2.150 178.571 176.600 -0.300 0.000 0.989 47 E CA 0.972 57.264 56.400 -0.181 0.000 0.800 47 E CB -0.525 29.103 29.700 -0.120 0.000 0.746 47 E HN 0.596 nan 8.360 nan 0.000 0.452 48 N N 0.034 118.404 118.700 -0.551 0.000 2.104 48 N HA -0.172 4.568 4.740 -0.001 0.000 0.190 48 N C 1.927 177.090 175.510 -0.577 0.000 1.024 48 N CA 1.035 53.648 53.050 -0.728 0.000 0.853 48 N CB -0.323 37.331 38.487 -1.390 0.000 1.008 48 N HN 0.235 nan 8.380 nan 0.000 0.424 49 Y N 1.565 121.576 120.300 -0.481 0.000 2.145 49 Y HA -0.040 4.510 4.550 -0.001 0.000 0.286 49 Y C 2.586 178.343 175.900 -0.237 0.000 1.145 49 Y CA 0.999 58.899 58.100 -0.332 0.000 1.148 49 Y CB -0.416 37.867 38.460 -0.296 0.000 0.981 49 Y HN -0.018 nan 8.280 nan 0.000 0.507 50 R N 0.281 120.745 120.500 -0.060 0.000 2.105 50 R HA -0.185 4.154 4.340 -0.001 0.000 0.239 50 R C 2.028 178.281 176.300 -0.079 0.000 1.135 50 R CA 1.662 57.717 56.100 -0.074 0.000 0.967 50 R CB -0.265 29.986 30.300 -0.082 0.000 0.861 50 R HN 0.328 nan 8.270 nan 0.000 0.442 51 K N -0.359 119.977 120.400 -0.106 0.000 2.362 51 K HA -0.033 4.287 4.320 -0.001 0.000 0.200 51 K C 1.223 177.776 176.600 -0.079 0.000 1.046 51 K CA 0.830 57.060 56.287 -0.094 0.000 0.952 51 K CB 0.144 32.576 32.500 -0.113 0.000 0.753 51 K HN 0.243 nan 8.250 nan 0.000 0.466 52 N N -0.368 118.286 118.700 -0.078 0.000 2.430 52 N HA 0.010 4.750 4.740 -0.001 0.000 0.235 52 N C 0.279 175.773 175.510 -0.027 0.000 1.108 52 N CA 0.452 53.468 53.050 -0.055 0.000 0.834 52 N CB 1.110 39.553 38.487 -0.074 0.000 1.430 52 N HN -0.028 nan 8.380 nan 0.000 0.463 53 V N -1.251 118.652 119.914 -0.018 0.000 3.155 53 V HA 0.539 4.659 4.120 -0.001 0.000 0.313 53 V C 0.304 176.360 176.094 -0.063 0.000 1.162 53 V CA -0.658 61.632 62.300 -0.018 0.000 1.048 53 V CB 2.057 33.894 31.823 0.024 0.000 1.092 53 V HN -0.198 nan 8.190 nan 0.000 0.447 54 D N 0.020 120.358 120.400 -0.102 0.000 2.216 54 D HA 0.133 4.772 4.640 -0.001 0.000 0.208 54 D C 0.502 176.684 176.300 -0.196 0.000 0.960 54 D CA 1.186 55.102 54.000 -0.140 0.000 0.861 54 D CB 0.730 41.440 40.800 -0.151 0.000 0.985 54 D HN 0.383 nan 8.370 nan 0.000 0.493 55 V N 3.175 122.922 119.914 -0.278 0.000 2.347 55 V HA 0.195 4.315 4.120 -0.001 0.000 0.280 55 V C -0.077 175.857 176.094 -0.266 0.000 1.021 55 V CA -0.647 61.475 62.300 -0.296 0.000 0.847 55 V CB 2.028 33.556 31.823 -0.492 0.000 0.990 55 V HN -0.029 nan 8.190 nan 0.000 0.444 56 I N 7.370 127.788 120.570 -0.254 0.000 2.297 56 I HA 0.398 4.568 4.170 -0.001 0.000 0.291 56 I C -2.403 173.481 176.117 -0.388 0.000 1.033 56 I CA -2.998 58.077 61.300 -0.374 0.000 1.253 56 I CB 1.071 38.907 38.000 -0.273 0.000 1.396 56 I HN 0.354 nan 8.210 nan 0.000 0.476 57 P HA 0.250 nan 4.420 nan 0.000 0.275 57 P C -0.221 176.939 177.300 -0.233 0.000 1.228 57 P CA -0.074 62.828 63.100 -0.330 0.000 0.786 57 P CB 0.958 32.412 31.700 -0.410 0.000 0.927 58 S N 0.766 116.457 115.700 -0.014 0.000 2.810 58 S HA 0.520 4.990 4.470 -0.001 0.000 0.315 58 S C 0.135 174.862 174.600 0.213 0.000 1.138 58 S CA -0.592 57.690 58.200 0.136 0.000 0.889 58 S CB 0.579 63.976 63.200 0.329 0.000 1.236 58 S HN 0.404 nan 8.310 nan 0.000 0.548 59 N N 0.148 119.002 118.700 0.256 0.000 2.741 59 N HA -0.167 4.572 4.740 -0.001 0.000 0.250 59 N C 0.237 175.872 175.510 0.209 0.000 1.115 59 N CA 1.343 54.519 53.050 0.211 0.000 0.724 59 N CB -1.380 37.237 38.487 0.218 0.000 1.090 59 N HN 0.729 nan 8.380 nan 0.000 0.558 60 E N -0.959 119.314 120.200 0.122 0.000 2.431 60 E HA 0.073 4.423 4.350 -0.001 0.000 0.200 60 E C 0.121 176.726 176.600 0.009 0.000 0.995 60 E CA -0.214 56.169 56.400 -0.027 0.000 0.915 60 E CB 0.352 29.951 29.700 -0.170 0.000 0.930 60 E HN 0.266 nan 8.360 nan 0.000 0.496 61 L N 2.312 123.588 121.223 0.088 0.000 2.384 61 L HA 0.128 4.467 4.340 -0.001 0.000 0.258 61 L C -0.110 176.860 176.870 0.167 0.000 1.266 61 L CA 0.093 55.009 54.840 0.127 0.000 1.162 61 L CB 0.051 42.223 42.059 0.188 0.000 1.375 61 L HN -0.204 nan 8.230 nan 0.000 0.420 62 S N 2.221 118.028 115.700 0.178 0.000 2.548 62 S HA 0.156 4.625 4.470 -0.001 0.000 0.277 62 S C 0.878 175.825 174.600 0.579 0.000 1.315 62 S CA -0.335 58.022 58.200 0.261 0.000 1.050 62 S CB 0.449 63.856 63.200 0.346 0.000 0.918 62 S HN 0.502 nan 8.310 nan 0.000 0.497 63 Y N 3.726 124.277 120.300 0.418 0.000 2.546 63 Y HA 0.150 4.700 4.550 -0.001 0.000 0.287 63 Y C 1.032 177.505 175.900 0.956 0.000 1.158 63 Y CA 0.148 58.620 58.100 0.619 0.000 1.307 63 Y CB -0.752 37.900 38.460 0.320 0.000 1.036 63 Y HN 0.879 nan 8.280 nan 0.000 0.532 64 Y N -1.536 119.306 120.300 0.902 0.000 3.032 64 Y HA 0.161 4.711 4.550 -0.001 0.000 0.232 64 Y C -0.930 175.279 175.900 0.516 0.000 1.107 64 Y CA -0.159 58.402 58.100 0.768 0.000 1.355 64 Y CB 0.900 39.782 38.460 0.705 0.000 1.413 64 Y HN -0.065 nan 8.280 nan 0.000 0.447 65 D N -0.455 120.342 120.400 0.661 0.000 2.927 65 D HA 0.182 4.822 4.640 -0.001 0.000 0.219 65 D C 0.023 176.487 176.300 0.273 0.000 1.248 65 D CA -0.520 53.696 54.000 0.361 0.000 0.861 65 D CB 0.925 41.904 40.800 0.297 0.000 1.677 65 D HN 0.068 nan 8.370 nan 0.000 0.511 66 F N 1.835 121.992 119.950 0.344 0.000 2.325 66 F HA 0.109 4.636 4.527 -0.001 0.000 0.299 66 F C 1.409 177.395 175.800 0.311 0.000 1.090 66 F CA 0.087 58.270 58.000 0.306 0.000 1.392 66 F CB -0.875 38.329 39.000 0.339 0.000 1.053 66 F HN 0.220 nan 8.300 nan 0.000 0.521 67 V N 1.114 121.095 119.914 0.111 0.000 2.453 67 V HA -0.216 3.904 4.120 -0.001 0.000 0.247 67 V C 2.499 178.793 176.094 0.334 0.000 1.048 67 V CA 1.469 63.963 62.300 0.324 0.000 1.049 67 V CB -0.645 31.355 31.823 0.295 0.000 0.672 67 V HN 0.455 nan 8.190 nan 0.000 0.457 68 L N 0.681 122.045 121.223 0.235 0.000 2.079 68 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 68 L C 2.024 179.014 176.870 0.200 0.000 1.081 68 L CA 2.059 56.993 54.840 0.156 0.000 0.752 68 L CB -0.990 41.064 42.059 -0.009 0.000 0.896 68 L HN 0.281 nan 8.230 nan 0.000 0.433 69 D N -0.899 119.673 120.400 0.287 0.000 2.117 69 D HA -0.160 4.479 4.640 -0.001 0.000 0.197 69 D C 2.056 178.410 176.300 0.090 0.000 0.987 69 D CA 1.899 56.042 54.000 0.238 0.000 0.829 69 D CB -0.282 40.666 40.800 0.246 0.000 0.961 69 D HN 0.402 nan 8.370 nan 0.000 0.460 70 T N 0.645 115.270 114.554 0.118 0.000 2.777 70 T HA -0.076 4.274 4.350 -0.001 0.000 0.266 70 T C 2.029 176.587 174.700 -0.237 0.000 1.040 70 T CA 1.346 63.395 62.100 -0.084 0.000 1.141 70 T CB -0.245 68.631 68.868 0.013 0.000 0.868 70 T HN 0.187 nan 8.240 nan 0.000 0.444 71 A N 1.121 123.990 122.820 0.082 0.000 1.877 71 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 71 A C 2.589 180.141 177.584 -0.053 0.000 1.186 71 A CA 1.406 53.535 52.037 0.152 0.000 0.620 71 A CB -1.074 18.118 19.000 0.320 0.000 0.822 71 A HN 0.349 nan 8.150 nan 0.000 0.443 72 V N -0.120 119.736 119.914 -0.097 0.000 2.343 72 V HA -0.326 3.793 4.120 -0.001 0.000 0.247 72 V C 2.586 178.486 176.094 -0.323 0.000 1.051 72 V CA 2.261 64.402 62.300 -0.265 0.000 1.036 72 V CB -0.710 30.949 31.823 -0.273 0.000 0.654 72 V HN 0.727 nan 8.190 nan 0.000 0.451 73 M N 0.764 120.198 119.600 -0.277 0.000 2.106 73 M HA -0.157 4.323 4.480 -0.001 0.000 0.259 73 M C 1.725 177.786 176.300 -0.397 0.000 1.068 73 M CA 2.515 57.619 55.300 -0.327 0.000 1.100 73 M CB -0.079 32.312 32.600 -0.348 0.000 1.351 73 M HN 0.379 nan 8.290 nan 0.000 0.404 74 V N -2.311 117.356 119.914 -0.411 0.000 3.421 74 V HA 0.460 4.580 4.120 -0.001 0.000 0.316 74 V C 0.918 176.840 176.094 -0.287 0.000 1.347 74 V CA 0.361 62.440 62.300 -0.367 0.000 1.183 74 V CB -1.016 30.534 31.823 -0.455 0.000 1.092 74 V HN 0.731 nan 8.190 nan 0.000 0.433 75 G N 0.176 108.707 108.800 -0.448 0.000 2.143 75 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.248 75 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.248 75 G C 0.486 175.320 174.900 -0.110 0.000 0.991 75 G CA 0.204 44.963 45.100 -0.567 0.000 0.689 75 G HN 1.850 nan 8.290 nan 0.000 0.522 76 A N 0.238 123.079 122.820 0.034 0.000 3.063 76 A HA 0.623 4.943 4.320 -0.001 0.000 0.263 76 A C 0.493 178.149 177.584 0.121 0.000 1.736 76 A CA 0.162 52.303 52.037 0.174 0.000 1.408 76 A CB 0.152 19.379 19.000 0.379 0.000 1.108 76 A HN 0.989 nan 8.150 nan 0.000 0.621 77 V N 3.174 123.152 119.914 0.107 0.000 2.328 77 V HA 0.242 4.362 4.120 -0.001 0.000 0.278 77 V C -2.191 174.046 176.094 0.238 0.000 1.021 77 V CA -1.565 60.825 62.300 0.151 0.000 0.838 77 V CB 1.234 33.150 31.823 0.155 0.000 0.999 77 V HN 0.547 nan 8.190 nan 0.000 0.447 78 P HA 0.223 nan 4.420 nan 0.000 0.266 78 P C 1.149 178.574 177.300 0.208 0.000 1.195 78 P CA 0.484 63.740 63.100 0.259 0.000 0.768 78 P CB 0.668 32.544 31.700 0.294 0.000 0.838 79 E N 3.765 124.015 120.200 0.083 0.000 2.147 79 E HA -0.308 4.041 4.350 -0.001 0.000 0.199 79 E C 1.759 178.347 176.600 -0.021 0.000 1.005 79 E CA 2.111 58.536 56.400 0.041 0.000 0.810 79 E CB -1.147 28.557 29.700 0.007 0.000 0.736 79 E HN 0.714 nan 8.360 nan 0.000 0.460 80 R N -1.028 119.377 120.500 -0.158 0.000 2.241 80 R HA 0.017 4.357 4.340 -0.001 0.000 0.224 80 R C 1.678 177.754 176.300 -0.373 0.000 1.101 80 R CA 1.673 57.581 56.100 -0.319 0.000 0.995 80 R CB -0.520 29.489 30.300 -0.485 0.000 0.870 80 R HN 0.436 nan 8.270 nan 0.000 0.463 81 F N 1.098 121.063 119.950 0.026 0.000 2.743 81 F HA 0.323 4.849 4.527 -0.001 0.000 0.297 81 F C 1.776 177.603 175.800 0.044 0.000 1.131 81 F CA 0.686 58.706 58.000 0.034 0.000 1.426 81 F CB 0.060 39.094 39.000 0.058 0.000 1.116 81 F HN 0.380 nan 8.300 nan 0.000 0.583 82 G N 0.359 109.262 108.800 0.172 0.000 2.562 82 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.250 82 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.250 82 G C 0.024 175.026 174.900 0.170 0.000 1.269 82 G CA -0.329 44.849 45.100 0.129 0.000 0.919 82 G HN 0.544 nan 8.290 nan 0.000 0.574 83 E N -1.015 119.266 120.200 0.135 0.000 2.392 83 E HA 0.467 4.817 4.350 -0.001 0.000 0.264 83 E C -0.003 176.709 176.600 0.186 0.000 1.024 83 E CA 0.100 56.594 56.400 0.157 0.000 0.903 83 E CB 0.515 30.282 29.700 0.112 0.000 0.963 83 E HN 1.513 nan 8.360 nan 0.000 0.432 84 Y N 1.967 122.329 120.300 0.103 0.000 2.537 84 Y HA 0.252 4.802 4.550 -0.001 0.000 0.339 84 Y C 1.250 177.199 175.900 0.081 0.000 1.066 84 Y CA 0.314 58.467 58.100 0.088 0.000 1.357 84 Y CB 0.677 39.184 38.460 0.079 0.000 1.175 84 Y HN 0.604 nan 8.280 nan 0.000 0.525 85 R N 4.055 124.352 120.500 -0.339 0.000 2.509 85 R HA 0.307 4.646 4.340 -0.001 0.000 0.300 85 R C 0.788 176.922 176.300 -0.278 0.000 0.985 85 R CA 0.311 56.296 56.100 -0.192 0.000 1.092 85 R CB 0.301 30.551 30.300 -0.084 0.000 1.237 85 R HN 1.051 nan 8.270 nan 0.000 0.546 86 G N 0.728 109.125 108.800 -0.671 0.000 2.464 86 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.216 86 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.216 86 G C 0.525 175.269 174.900 -0.260 0.000 1.186 86 G CA -0.373 44.520 45.100 -0.346 0.000 1.010 86 G HN 0.081 nan 8.290 nan 0.000 0.585 87 L N 1.576 122.794 121.223 -0.008 0.000 2.043 87 L HA -0.158 4.182 4.340 -0.001 0.000 0.212 87 L C 3.448 180.448 176.870 0.217 0.000 1.075 87 L CA 2.995 57.903 54.840 0.114 0.000 0.752 87 L CB -0.856 41.364 42.059 0.268 0.000 0.891 87 L HN 0.864 nan 8.230 nan 0.000 0.432 88 S N -1.289 114.507 115.700 0.160 0.000 2.359 88 S HA -0.210 4.260 4.470 -0.001 0.000 0.224 88 S C 1.882 176.519 174.600 0.062 0.000 1.035 88 S CA 1.891 60.175 58.200 0.140 0.000 1.018 88 S CB -0.938 62.299 63.200 0.062 0.000 0.876 88 S HN 0.402 nan 8.310 nan 0.000 0.448 89 T N 0.659 115.158 114.554 -0.091 0.000 2.812 89 T HA -0.021 4.329 4.350 -0.001 0.000 0.264 89 T C 1.481 176.112 174.700 -0.115 0.000 1.042 89 T CA 1.310 63.322 62.100 -0.145 0.000 1.140 89 T CB -0.665 67.987 68.868 -0.360 0.000 0.870 89 T HN 0.513 nan 8.240 nan 0.000 0.445 90 Y N 1.222 121.396 120.300 -0.210 0.000 2.081 90 Y HA -0.213 4.336 4.550 -0.001 0.000 0.280 90 Y C 1.840 177.620 175.900 -0.199 0.000 1.163 90 Y CA 1.407 59.423 58.100 -0.140 0.000 1.135 90 Y CB -0.505 37.844 38.460 -0.185 0.000 0.970 90 Y HN 0.136 nan 8.280 nan 0.000 0.498 91 F N 0.431 120.477 119.950 0.160 0.000 2.259 91 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 91 F C 2.108 177.781 175.800 -0.211 0.000 1.088 91 F CA 1.396 59.401 58.000 0.008 0.000 1.358 91 F CB -0.711 38.398 39.000 0.183 0.000 1.040 91 F HN 0.094 nan 8.300 nan 0.000 0.505 92 D N -0.233 120.173 120.400 0.010 0.000 2.144 92 D HA -0.157 4.483 4.640 -0.001 0.000 0.200 92 D C 2.315 178.549 176.300 -0.110 0.000 0.978 92 D CA 1.201 55.188 54.000 -0.022 0.000 0.833 92 D CB -0.361 40.487 40.800 0.080 0.000 0.961 92 D HN 0.245 nan 8.370 nan 0.000 0.470 93 M N 0.048 119.400 119.600 -0.413 0.000 2.296 93 M HA -0.065 4.414 4.480 -0.001 0.000 0.265 93 M C 2.078 178.122 176.300 -0.425 0.000 1.064 93 M CA 1.167 56.061 55.300 -0.676 0.000 1.109 93 M CB 0.035 32.124 32.600 -0.851 0.000 1.396 93 M HN -0.010 nan 8.290 nan 0.000 0.430 94 A N 0.957 123.478 122.820 -0.498 0.000 1.911 94 A HA -0.034 4.286 4.320 -0.001 0.000 0.212 94 A C 1.975 179.195 177.584 -0.607 0.000 1.189 94 A CA 1.062 52.661 52.037 -0.730 0.000 0.639 94 A CB -0.036 18.241 19.000 -1.204 0.000 0.839 94 A HN 0.599 nan 8.150 nan 0.000 0.449 95 R N -1.394 118.859 120.500 -0.412 0.000 2.519 95 R HA 0.285 4.624 4.340 -0.001 0.000 0.375 95 R C 0.750 176.918 176.300 -0.220 0.000 0.926 95 R CA 0.320 56.240 56.100 -0.300 0.000 1.166 95 R CB -0.422 29.642 30.300 -0.393 0.000 1.626 95 R HN 0.280 nan 8.270 nan 0.000 0.529 96 G N -0.117 108.592 108.800 -0.152 0.000 2.588 96 G HA2 0.337 4.296 3.960 -0.001 0.000 0.278 96 G HA3 0.337 4.296 3.960 -0.001 0.000 0.278 96 G C 0.823 175.692 174.900 -0.051 0.000 1.307 96 G CA -0.256 44.795 45.100 -0.082 0.000 1.016 96 G HN 0.155 nan 8.290 nan 0.000 0.503 97 G N -1.394 107.385 108.800 -0.034 0.000 2.443 97 G HA2 0.237 4.196 3.960 -0.001 0.000 0.219 97 G HA3 0.237 4.196 3.960 -0.001 0.000 0.219 97 G C 1.172 176.055 174.900 -0.028 0.000 1.131 97 G CA 1.595 46.675 45.100 -0.034 0.000 0.775 97 G HN 1.032 nan 8.290 nan 0.000 0.547 98 K N 0.028 120.425 120.400 -0.005 0.000 2.726 98 K HA 0.825 5.144 4.320 -0.001 0.000 0.209 98 K C 0.531 177.194 176.600 0.105 0.000 1.082 98 K CA 0.329 56.603 56.287 -0.023 0.000 1.081 98 K CB -0.081 32.328 32.500 -0.151 0.000 0.830 98 K HN 0.596 nan 8.250 nan 0.000 0.470 99 A N 0.584 123.456 122.820 0.087 0.000 2.492 99 A HA 0.559 4.879 4.320 -0.001 0.000 0.236 99 A C 0.610 178.234 177.584 0.067 0.000 1.078 99 A CA -0.355 51.730 52.037 0.080 0.000 0.773 99 A CB -0.099 18.857 19.000 -0.073 0.000 1.023 99 A HN 0.613 nan 8.150 nan 0.000 0.504 100 L N 0.615 121.861 121.223 0.038 0.000 2.492 100 L HA 0.038 4.378 4.340 -0.001 0.000 0.280 100 L C 1.222 178.051 176.870 -0.067 0.000 1.240 100 L CA 0.098 54.938 54.840 -0.001 0.000 0.831 100 L CB 0.104 42.144 42.059 -0.032 0.000 1.100 100 L HN 0.872 nan 8.230 nan 0.000 0.505 101 E N 2.164 122.313 120.200 -0.086 0.000 2.413 101 E HA 0.081 4.430 4.350 -0.001 0.000 0.263 101 E C -0.657 175.842 176.600 -0.169 0.000 1.015 101 E CA -0.270 56.052 56.400 -0.129 0.000 0.916 101 E CB 0.820 30.431 29.700 -0.148 0.000 0.947 101 E HN 0.418 nan 8.360 nan 0.000 0.440 102 M N 3.988 123.478 119.600 -0.183 0.000 2.294 102 M HA 0.313 4.793 4.480 -0.001 0.000 0.335 102 M C -0.972 175.219 176.300 -0.182 0.000 1.079 102 M CA -0.177 54.997 55.300 -0.210 0.000 0.982 102 M CB 1.872 34.335 32.600 -0.227 0.000 1.651 102 M HN 0.537 nan 8.290 nan 0.000 0.437 103 T N 2.873 117.277 114.554 -0.249 0.000 2.843 103 T HA 0.431 4.780 4.350 -0.001 0.000 0.302 103 T C -1.314 173.318 174.700 -0.114 0.000 1.232 103 T CA -0.767 61.250 62.100 -0.138 0.000 1.009 103 T CB 1.622 70.427 68.868 -0.106 0.000 1.254 103 T HN 0.752 nan 8.240 nan 0.000 0.504 104 K N 1.373 121.727 120.400 -0.077 0.000 2.382 104 K HA 0.280 4.600 4.320 -0.001 0.000 0.275 104 K C -0.710 176.046 176.600 0.260 0.000 1.009 104 K CA -0.180 56.044 56.287 -0.105 0.000 0.970 104 K CB 0.307 32.691 32.500 -0.194 0.000 0.934 104 K HN 0.404 nan 8.250 nan 0.000 0.479 105 F N 5.365 125.472 119.950 0.262 0.000 2.375 105 F HA 0.171 4.697 4.527 -0.001 0.000 0.362 105 F C 0.012 176.044 175.800 0.386 0.000 1.129 105 F CA -0.317 57.989 58.000 0.509 0.000 1.154 105 F CB -0.571 38.915 39.000 0.811 0.000 1.205 105 F HN 0.673 nan 8.300 nan 0.000 0.513 106 F N 1.148 120.955 119.950 -0.239 0.000 2.697 106 F HA -0.464 4.063 4.527 -0.001 0.000 0.250 106 F C 1.329 176.979 175.800 -0.249 0.000 1.066 106 F CA 1.653 59.466 58.000 -0.312 0.000 1.366 106 F CB -0.834 37.858 39.000 -0.513 0.000 2.184 106 F HN 0.576 nan 8.300 nan 0.000 0.407 107 N N 0.604 119.232 118.700 -0.120 0.000 2.575 107 N HA 0.220 4.959 4.740 -0.001 0.000 0.275 107 N C -0.492 174.875 175.510 -0.238 0.000 1.202 107 N CA 0.587 53.529 53.050 -0.179 0.000 0.945 107 N CB -0.180 38.214 38.487 -0.155 0.000 1.247 107 N HN 0.793 nan 8.380 nan 0.000 0.510 108 T N -3.244 111.204 114.554 -0.177 0.000 2.910 108 T HA 0.389 4.739 4.350 -0.001 0.000 0.287 108 T C 0.314 174.972 174.700 -0.069 0.000 1.050 108 T CA -0.830 61.192 62.100 -0.129 0.000 1.011 108 T CB 1.216 70.085 68.868 0.002 0.000 1.195 108 T HN -0.056 nan 8.240 nan 0.000 0.540 109 N N -0.187 118.510 118.700 -0.004 0.000 2.276 109 N HA 0.117 4.857 4.740 -0.001 0.000 0.212 109 N C -0.901 174.802 175.510 0.321 0.000 1.127 109 N CA -0.100 52.903 53.050 -0.078 0.000 0.834 109 N CB -0.091 38.175 38.487 -0.368 0.000 1.014 109 N HN 0.624 nan 8.380 nan 0.000 0.491 110 Y N 1.272 121.805 120.300 0.388 0.000 2.304 110 Y HA 0.192 4.742 4.550 -0.001 0.000 0.328 110 Y C -0.407 175.712 175.900 0.365 0.000 1.123 110 Y CA -0.492 57.901 58.100 0.487 0.000 1.218 110 Y CB 0.347 39.142 38.460 0.559 0.000 1.207 110 Y HN 0.068 nan 8.280 nan 0.000 0.495 111 H N 5.769 124.535 119.070 -0.508 0.000 2.481 111 H HA 0.285 4.841 4.556 -0.001 0.000 0.333 111 H C -1.018 173.970 175.328 -0.567 0.000 1.066 111 H CA -0.503 55.357 56.048 -0.313 0.000 1.209 111 H CB 0.543 30.200 29.762 -0.175 0.000 1.445 111 H HN 0.665 nan 8.280 nan 0.000 0.488 112 Y N 0.726 120.941 120.300 -0.143 0.000 2.596 112 Y HA 0.651 5.200 4.550 -0.001 0.000 0.326 112 Y C -1.149 174.768 175.900 0.028 0.000 1.167 112 Y CA -1.483 56.564 58.100 -0.088 0.000 1.246 112 Y CB 0.951 39.441 38.460 0.051 0.000 1.347 112 Y HN 0.384 nan 8.280 nan 0.000 0.515 113 L N 2.757 124.009 121.223 0.049 0.000 2.282 113 L HA 0.423 4.763 4.340 -0.001 0.000 0.288 113 L C -0.789 176.112 176.870 0.051 0.000 1.033 113 L CA -1.261 53.548 54.840 -0.051 0.000 0.807 113 L CB 1.620 43.680 42.059 0.002 0.000 1.209 113 L HN 0.523 nan 8.230 nan 0.000 0.423 114 V N 5.244 125.102 119.914 -0.094 0.000 2.415 114 V HA 0.131 4.250 4.120 -0.001 0.000 0.267 114 V C -1.924 174.221 176.094 0.086 0.000 1.042 114 V CA -1.346 60.998 62.300 0.075 0.000 1.000 114 V CB 0.433 32.235 31.823 -0.036 0.000 1.015 114 V HN 0.595 nan 8.190 nan 0.000 0.478 115 P HA 0.190 nan 4.420 nan 0.000 0.268 115 P C -0.464 176.870 177.300 0.056 0.000 1.205 115 P CA -0.142 63.017 63.100 0.099 0.000 0.771 115 P CB 0.538 32.278 31.700 0.068 0.000 0.858 116 E N 2.454 122.702 120.200 0.080 0.000 2.092 116 E HA 0.291 4.640 4.350 -0.001 0.000 0.271 116 E C -0.400 176.252 176.600 0.086 0.000 0.919 116 E CA -0.633 55.798 56.400 0.053 0.000 0.760 116 E CB 0.735 30.464 29.700 0.048 0.000 1.106 116 E HN 0.278 nan 8.360 nan 0.000 0.408 117 I N 3.477 124.091 120.570 0.073 0.000 2.322 117 I HA 0.052 4.221 4.170 -0.001 0.000 0.292 117 I C 0.992 177.124 176.117 0.024 0.000 1.060 117 I CA 0.416 61.769 61.300 0.088 0.000 1.309 117 I CB 0.394 38.467 38.000 0.121 0.000 1.415 117 I HN 0.676 nan 8.210 nan 0.000 0.492 118 E N 2.946 123.153 120.200 0.011 0.000 2.290 118 E HA 0.005 4.355 4.350 -0.001 0.000 0.197 118 E C 0.492 177.069 176.600 -0.038 0.000 0.948 118 E CA 0.446 56.842 56.400 -0.006 0.000 0.895 118 E CB 0.588 30.296 29.700 0.014 0.000 0.865 118 E HN 0.729 nan 8.360 nan 0.000 0.486 119 T N -2.388 112.118 114.554 -0.080 0.000 2.912 119 T HA 0.468 4.818 4.350 -0.001 0.000 0.288 119 T C 0.572 175.130 174.700 -0.236 0.000 1.030 119 T CA -0.180 61.849 62.100 -0.118 0.000 1.020 119 T CB 1.834 70.648 68.868 -0.090 0.000 1.056 119 T HN -0.021 nan 8.240 nan 0.000 0.480 120 E N -0.340 119.751 120.200 -0.182 0.000 2.502 120 E HA 0.359 4.709 4.350 -0.001 0.000 0.194 120 E C 0.721 177.161 176.600 -0.267 0.000 1.062 120 E CA 0.584 56.862 56.400 -0.203 0.000 0.867 120 E CB -0.782 28.875 29.700 -0.073 0.000 0.888 120 E HN 1.123 nan 8.360 nan 0.000 0.510 121 E N 0.115 120.145 120.200 -0.282 0.000 2.114 121 E HA 0.617 4.966 4.350 -0.001 0.000 0.266 121 E C -0.825 175.672 176.600 -0.171 0.000 0.896 121 E CA -0.901 55.408 56.400 -0.152 0.000 0.750 121 E CB 0.146 29.823 29.700 -0.038 0.000 1.121 121 E HN 0.332 nan 8.360 nan 0.000 0.413 122 F N 1.340 121.363 119.950 0.121 0.000 2.379 122 F HA 0.677 5.204 4.527 -0.001 0.000 0.332 122 F C 0.347 176.238 175.800 0.152 0.000 1.096 122 F CA -0.471 57.586 58.000 0.095 0.000 1.105 122 F CB 1.125 40.139 39.000 0.025 0.000 1.189 122 F HN 0.659 nan 8.300 nan 0.000 0.515 123 Y N 0.228 120.620 120.300 0.154 0.000 2.625 123 Y HA 0.646 5.196 4.550 -0.001 0.000 0.338 123 Y C -1.581 174.316 175.900 -0.004 0.000 1.123 123 Y CA -1.966 56.165 58.100 0.052 0.000 1.046 123 Y CB 0.805 39.281 38.460 0.027 0.000 1.299 123 Y HN 0.396 nan 8.280 nan 0.000 0.464 124 L N 3.717 124.932 121.223 -0.014 0.000 2.454 124 L HA 0.212 4.551 4.340 -0.001 0.000 0.284 124 L C 0.330 177.127 176.870 -0.121 0.000 1.139 124 L CA -0.072 54.682 54.840 -0.143 0.000 0.911 124 L CB 0.081 42.089 42.059 -0.085 0.000 1.262 124 L HN 0.944 nan 8.230 nan 0.000 0.453 125 L N 3.329 124.340 121.223 -0.353 0.000 2.162 125 L HA 0.289 4.628 4.340 -0.001 0.000 0.205 125 L C 0.505 177.305 176.870 -0.116 0.000 1.086 125 L CA 1.044 55.752 54.840 -0.220 0.000 0.778 125 L CB -0.056 41.753 42.059 -0.418 0.000 0.928 125 L HN 0.743 nan 8.230 nan 0.000 0.446 126 E N -0.890 119.205 120.200 -0.174 0.000 2.343 126 E HA 0.214 4.564 4.350 -0.001 0.000 0.278 126 E C -1.272 175.250 176.600 -0.130 0.000 0.910 126 E CA -0.511 55.819 56.400 -0.118 0.000 0.757 126 E CB 0.931 30.550 29.700 -0.135 0.000 1.218 126 E HN 0.002 nan 8.360 nan 0.000 0.435 127 N N 3.347 121.998 118.700 -0.081 0.000 3.112 127 N HA 0.168 4.908 4.740 -0.001 0.000 0.270 127 N C -0.067 175.415 175.510 -0.047 0.000 1.385 127 N CA 0.007 53.009 53.050 -0.080 0.000 0.986 127 N CB 0.493 38.949 38.487 -0.053 0.000 1.261 127 N HN 0.439 nan 8.380 nan 0.000 0.495 128 K N 0.380 120.741 120.400 -0.064 0.000 2.097 128 K HA -0.069 4.251 4.320 -0.001 0.000 0.206 128 K C -0.960 175.646 176.600 0.010 0.000 1.049 128 K CA 1.358 57.619 56.287 -0.043 0.000 0.933 128 K CB -0.351 32.105 32.500 -0.072 0.000 0.717 128 K HN 0.331 nan 8.250 nan 0.000 0.442 129 P HA -0.181 nan 4.420 nan 0.000 0.215 129 P C 1.259 178.631 177.300 0.121 0.000 1.153 129 P CA 0.881 64.025 63.100 0.073 0.000 0.853 129 P CB 0.116 31.842 31.700 0.044 0.000 0.788 130 L N 0.235 121.510 121.223 0.087 0.000 2.056 130 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 130 L C 2.044 179.017 176.870 0.172 0.000 1.078 130 L CA 1.913 56.837 54.840 0.141 0.000 0.749 130 L CB -1.331 40.778 42.059 0.084 0.000 0.901 130 L HN -0.077 nan 8.230 nan 0.000 0.433 131 E N -0.672 119.587 120.200 0.099 0.000 2.085 131 E HA -0.271 4.078 4.350 -0.001 0.000 0.194 131 E C 1.740 178.398 176.600 0.097 0.000 0.994 131 E CA 1.546 57.992 56.400 0.077 0.000 0.801 131 E CB -0.113 29.599 29.700 0.021 0.000 0.743 131 E HN 0.542 nan 8.360 nan 0.000 0.453 132 D N -0.635 119.833 120.400 0.114 0.000 2.162 132 D HA -0.132 4.507 4.640 -0.001 0.000 0.203 132 D C 1.625 178.104 176.300 0.298 0.000 0.967 132 D CA 0.511 54.597 54.000 0.143 0.000 0.840 132 D CB -0.069 40.839 40.800 0.180 0.000 0.972 132 D HN 0.130 nan 8.370 nan 0.000 0.482 133 Y N 0.915 121.332 120.300 0.195 0.000 2.165 133 Y HA -0.147 4.403 4.550 -0.001 0.000 0.286 133 Y C 1.837 177.844 175.900 0.177 0.000 1.155 133 Y CA 1.532 59.755 58.100 0.204 0.000 1.164 133 Y CB -0.299 38.236 38.460 0.125 0.000 0.978 133 Y HN -0.005 nan 8.280 nan 0.000 0.513 134 L N -1.454 119.809 121.223 0.067 0.000 2.156 134 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 134 L C 2.300 179.130 176.870 -0.066 0.000 1.095 134 L CA 1.040 55.849 54.840 -0.051 0.000 0.770 134 L CB -0.727 41.367 42.059 0.060 0.000 0.914 134 L HN 0.272 nan 8.230 nan 0.000 0.439 135 F N 0.777 120.622 119.950 -0.175 0.000 2.091 135 F HA -0.295 4.232 4.527 -0.000 0.000 0.299 135 F C 2.058 177.656 175.800 -0.336 0.000 1.103 135 F CA 1.783 59.604 58.000 -0.298 0.000 1.228 135 F CB -0.231 38.492 39.000 -0.462 0.000 0.984 135 F HN -0.109 nan 8.300 nan 0.000 0.477 136 F N 0.552 120.480 119.950 -0.035 0.000 2.187 136 F HA 0.017 4.543 4.527 -0.001 0.000 0.295 136 F C 2.483 178.134 175.800 -0.248 0.000 1.091 136 F CA 1.376 59.285 58.000 -0.151 0.000 1.308 136 F CB -1.126 37.872 39.000 -0.002 0.000 1.030 136 F HN -0.151 nan 8.300 nan 0.000 0.487 137 K N 0.679 120.977 120.400 -0.170 0.000 2.074 137 K HA -0.228 4.092 4.320 -0.001 0.000 0.209 137 K C 2.245 178.740 176.600 -0.176 0.000 1.048 137 K CA 1.827 57.957 56.287 -0.263 0.000 0.926 137 K CB -0.334 31.864 32.500 -0.502 0.000 0.713 137 K HN 0.329 nan 8.250 nan 0.000 0.444 138 S N 0.095 115.680 115.700 -0.193 0.000 2.469 138 S HA -0.086 4.383 4.470 -0.001 0.000 0.238 138 S C 1.317 175.813 174.600 -0.172 0.000 0.998 138 S CA 0.948 59.048 58.200 -0.168 0.000 0.957 138 S CB -0.057 63.034 63.200 -0.182 0.000 0.764 138 S HN 0.313 nan 8.310 nan 0.000 0.514 139 K N 0.396 120.682 120.400 -0.190 0.000 2.374 139 K HA 0.318 4.638 4.320 -0.001 0.000 0.196 139 K C 0.984 177.533 176.600 -0.084 0.000 1.023 139 K CA 0.323 56.519 56.287 -0.151 0.000 1.103 139 K CB 0.182 32.574 32.500 -0.179 0.000 0.848 139 K HN 0.480 nan 8.250 nan 0.000 0.528 140 G N 2.065 110.818 108.800 -0.078 0.000 2.149 140 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.235 140 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.235 140 G C -0.100 174.775 174.900 -0.042 0.000 1.018 140 G CA -0.222 44.845 45.100 -0.055 0.000 0.728 140 G HN 0.264 nan 8.290 nan 0.000 0.508 141 I N 0.758 121.306 120.570 -0.037 0.000 2.420 141 I HA 0.273 4.443 4.170 -0.001 0.000 0.282 141 I C -0.129 175.966 176.117 -0.038 0.000 1.019 141 I CA -0.923 60.360 61.300 -0.028 0.000 1.130 141 I CB 1.382 39.381 38.000 -0.002 0.000 1.262 141 I HN -0.068 nan 8.210 nan 0.000 0.454 142 E N 5.017 125.198 120.200 -0.032 0.000 2.344 142 E HA 0.244 4.594 4.350 -0.001 0.000 0.270 142 E C -0.013 176.594 176.600 0.012 0.000 1.021 142 E CA 0.139 56.546 56.400 0.012 0.000 0.887 142 E CB 1.446 31.172 29.700 0.044 0.000 0.997 142 E HN 0.671 nan 8.360 nan 0.000 0.429 143 T N -1.340 113.277 114.554 0.105 0.000 2.901 143 T HA 0.749 5.099 4.350 -0.001 0.000 0.293 143 T C -0.607 174.190 174.700 0.160 0.000 1.084 143 T CA -1.107 61.026 62.100 0.055 0.000 1.008 143 T CB 1.894 70.756 68.868 -0.010 0.000 1.170 143 T HN 0.304 nan 8.240 nan 0.000 0.509 144 A N 2.342 125.194 122.820 0.052 0.000 2.267 144 A HA 0.724 5.043 4.320 -0.001 0.000 0.315 144 A C -2.876 174.750 177.584 0.071 0.000 1.297 144 A CA -2.036 50.033 52.037 0.053 0.000 0.865 144 A CB 0.108 19.127 19.000 0.033 0.000 1.165 144 A HN 0.624 nan 8.150 nan 0.000 0.513 145 P HA 0.005 nan 4.420 nan 0.000 0.264 145 P C -0.822 176.551 177.300 0.120 0.000 1.193 145 P CA 0.434 63.608 63.100 0.122 0.000 0.763 145 P CB 0.291 32.037 31.700 0.077 0.000 0.810 146 W N 6.401 127.677 121.300 -0.040 0.000 2.316 146 W HA 0.455 5.115 4.660 -0.001 0.000 0.308 146 W C -0.926 175.571 176.519 -0.036 0.000 1.106 146 W CA -0.203 57.087 57.345 -0.091 0.000 1.262 146 W CB 0.738 30.124 29.460 -0.123 0.000 1.233 146 W HN 0.232 nan 8.180 nan 0.000 0.447 147 V N 5.667 125.353 119.914 -0.380 0.000 2.962 147 V HA 0.565 4.685 4.120 -0.001 0.000 0.313 147 V C -0.419 175.405 176.094 -0.450 0.000 1.099 147 V CA -1.336 60.811 62.300 -0.254 0.000 0.971 147 V CB 1.652 33.490 31.823 0.024 0.000 1.028 147 V HN 0.305 nan 8.190 nan 0.000 0.430 148 I N 3.086 123.530 120.570 -0.210 0.000 2.441 148 I HA 0.437 4.607 4.170 -0.001 0.000 0.287 148 I C 1.290 177.459 176.117 0.087 0.000 1.049 148 I CA 0.656 61.909 61.300 -0.079 0.000 1.381 148 I CB 0.709 38.816 38.000 0.178 0.000 1.409 148 I HN 1.025 nan 8.210 nan 0.000 0.523 149 G N 7.589 116.390 108.800 0.001 0.000 2.569 149 G HA2 0.296 4.255 3.960 -0.001 0.000 0.249 149 G HA3 0.296 4.255 3.960 -0.001 0.000 0.249 149 G C -1.478 173.373 174.900 -0.081 0.000 1.216 149 G CA -0.760 44.319 45.100 -0.035 0.000 0.845 149 G HN 0.472 nan 8.290 nan 0.000 0.568 150 P HA -0.171 nan 4.420 nan 0.000 0.217 150 P C 1.585 178.902 177.300 0.028 0.000 1.150 150 P CA 0.886 63.746 63.100 -0.401 0.000 0.832 150 P CB 0.092 31.346 31.700 -0.743 0.000 0.787 151 F N 1.190 121.128 119.950 -0.021 0.000 2.084 151 F HA -0.133 4.393 4.527 -0.001 0.000 0.296 151 F C 2.210 178.073 175.800 0.105 0.000 1.111 151 F CA 1.961 60.009 58.000 0.080 0.000 1.224 151 F CB -1.103 38.001 39.000 0.174 0.000 0.991 151 F HN -0.154 nan 8.300 nan 0.000 0.471 152 T N 0.924 115.595 114.554 0.195 0.000 2.720 152 T HA -0.244 4.106 4.350 -0.001 0.000 0.268 152 T C 1.680 176.462 174.700 0.136 0.000 1.037 152 T CA 1.661 63.838 62.100 0.128 0.000 1.144 152 T CB -0.803 68.138 68.868 0.122 0.000 0.864 152 T HN 0.385 nan 8.240 nan 0.000 0.444 153 F N 1.671 121.648 119.950 0.046 0.000 2.069 153 F HA -0.074 4.453 4.527 -0.001 0.000 0.298 153 F C 1.942 177.769 175.800 0.046 0.000 1.113 153 F CA 1.242 59.284 58.000 0.069 0.000 1.214 153 F CB -0.521 38.521 39.000 0.070 0.000 0.978 153 F HN 0.055 nan 8.300 nan 0.000 0.474 154 L N -1.152 120.017 121.223 -0.089 0.000 2.093 154 L HA -0.246 4.093 4.340 -0.001 0.000 0.208 154 L C 2.353 179.105 176.870 -0.197 0.000 1.085 154 L CA 1.487 56.217 54.840 -0.184 0.000 0.755 154 L CB -0.893 41.132 42.059 -0.057 0.000 0.904 154 L HN 0.240 nan 8.230 nan 0.000 0.435 155 Y N 0.317 120.397 120.300 -0.366 0.000 2.403 155 Y HA -0.177 4.372 4.550 -0.001 0.000 0.291 155 Y C 2.078 177.804 175.900 -0.290 0.000 1.143 155 Y CA 1.239 59.109 58.100 -0.382 0.000 1.257 155 Y CB 0.104 38.267 38.460 -0.494 0.000 0.984 155 Y HN 0.088 nan 8.280 nan 0.000 0.550 156 L N -0.898 120.270 121.223 -0.092 0.000 2.592 156 L HA 0.110 4.450 4.340 -0.001 0.000 0.227 156 L C 0.611 177.629 176.870 0.246 0.000 1.127 156 L CA -0.139 54.691 54.840 -0.018 0.000 0.884 156 L CB -0.088 41.889 42.059 -0.136 0.000 1.065 156 L HN -0.060 nan 8.230 nan 0.000 0.457 157 S N -0.595 115.140 115.700 0.058 0.000 2.722 157 S HA 0.522 4.992 4.470 -0.001 0.000 0.292 157 S C -0.241 174.445 174.600 0.143 0.000 1.135 157 S CA -0.667 57.553 58.200 0.034 0.000 1.003 157 S CB 2.025 65.064 63.200 -0.268 0.000 1.067 157 S HN 0.058 nan 8.310 nan 0.000 0.546 158 K N 0.734 121.142 120.400 0.013 0.000 2.328 158 K HA 0.590 4.910 4.320 -0.001 0.000 0.246 158 K C -0.733 175.839 176.600 -0.045 0.000 0.955 158 K CA -0.765 55.476 56.287 -0.077 0.000 0.817 158 K CB 2.038 34.378 32.500 -0.267 0.000 1.208 158 K HN 0.423 nan 8.250 nan 0.000 0.432 159 R N 1.738 122.208 120.500 -0.051 0.000 2.574 159 R HA 0.173 4.512 4.340 -0.001 0.000 0.288 159 R C -0.921 175.350 176.300 -0.050 0.000 1.004 159 R CA -0.353 55.730 56.100 -0.029 0.000 0.895 159 R CB 0.801 31.101 30.300 0.001 0.000 1.191 159 R HN 0.730 nan 8.270 nan 0.000 0.444 160 N N 2.462 121.133 118.700 -0.047 0.000 2.721 160 N HA -0.203 4.537 4.740 -0.001 0.000 0.249 160 N C 0.492 175.955 175.510 -0.078 0.000 1.072 160 N CA 1.721 54.739 53.050 -0.052 0.000 0.710 160 N CB -1.117 37.348 38.487 -0.037 0.000 0.993 160 N HN 1.087 nan 8.380 nan 0.000 0.547 161 G N -0.888 107.846 108.800 -0.109 0.000 2.162 161 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.260 161 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.260 161 G C -0.150 174.618 174.900 -0.219 0.000 0.976 161 G CA 1.094 46.102 45.100 -0.153 0.000 0.655 161 G HN 0.935 nan 8.290 nan 0.000 0.533 162 E N -1.368 118.706 120.200 -0.210 0.000 2.393 162 E HA 0.592 4.942 4.350 -0.001 0.000 0.273 162 E C -0.032 176.439 176.600 -0.215 0.000 0.918 162 E CA -1.698 54.550 56.400 -0.255 0.000 0.773 162 E CB 0.851 30.481 29.700 -0.117 0.000 1.275 162 E HN 0.261 nan 8.360 nan 0.000 0.451 163 W N 1.115 122.359 121.300 -0.093 0.000 2.160 163 W HA 0.168 4.828 4.660 -0.001 0.000 0.352 163 W C 0.324 176.757 176.519 -0.143 0.000 1.288 163 W CA -0.488 56.768 57.345 -0.148 0.000 1.279 163 W CB 0.392 29.727 29.460 -0.208 0.000 1.181 163 W HN 0.394 nan 8.180 nan 0.000 0.593 164 I N 3.136 123.777 120.570 0.120 0.000 2.448 164 I HA 0.239 4.408 4.170 -0.001 0.000 0.284 164 I C 0.640 176.719 176.117 -0.064 0.000 1.135 164 I CA -0.166 61.146 61.300 0.019 0.000 1.207 164 I CB -0.060 37.947 38.000 0.012 0.000 1.548 164 I HN 0.566 nan 8.210 nan 0.000 0.543 165 R N 1.418 121.888 120.500 -0.050 0.000 2.469 165 R HA 0.287 4.626 4.340 -0.001 0.000 0.250 165 R C 0.489 176.885 176.300 0.158 0.000 0.909 165 R CA -0.379 55.661 56.100 -0.100 0.000 1.050 165 R CB 0.701 30.779 30.300 -0.369 0.000 1.256 165 R HN 0.346 nan 8.270 nan 0.000 0.550 166 R N 1.429 121.992 120.500 0.105 0.000 2.490 166 R HA 0.095 4.435 4.340 -0.001 0.000 0.280 166 R C -1.905 174.426 176.300 0.053 0.000 1.077 166 R CA -1.628 54.525 56.100 0.087 0.000 1.065 166 R CB 0.444 30.767 30.300 0.040 0.000 1.003 166 R HN -0.144 nan 8.270 nan 0.000 0.470 167 P HA -0.188 nan 4.420 nan 0.000 0.216 167 P C 0.487 177.778 177.300 -0.015 0.000 1.150 167 P CA 1.379 64.405 63.100 -0.123 0.000 0.843 167 P CB 0.102 31.633 31.700 -0.281 0.000 0.787 168 N N -0.831 117.860 118.700 -0.015 0.000 2.550 168 N HA -0.128 4.612 4.740 -0.001 0.000 0.186 168 N C 1.404 176.928 175.510 0.024 0.000 1.110 168 N CA 0.991 54.045 53.050 0.008 0.000 0.912 168 N CB -1.100 37.389 38.487 0.002 0.000 0.968 168 N HN 0.261 nan 8.380 nan 0.000 0.448 169 Q N -0.649 119.170 119.800 0.032 0.000 2.354 169 Q HA 0.256 4.596 4.340 -0.001 0.000 0.203 169 Q C 1.565 177.599 176.000 0.056 0.000 0.933 169 Q CA 0.663 56.490 55.803 0.040 0.000 0.901 169 Q CB 0.081 28.842 28.738 0.037 0.000 1.007 169 Q HN 0.459 nan 8.270 nan 0.000 0.495 170 M N -0.526 119.115 119.600 0.069 0.000 2.466 170 M HA 0.008 4.488 4.480 -0.001 0.000 0.265 170 M C 1.785 178.148 176.300 0.104 0.000 1.122 170 M CA 0.593 55.946 55.300 0.089 0.000 1.157 170 M CB 0.096 32.759 32.600 0.104 0.000 1.352 170 M HN 0.124 nan 8.290 nan 0.000 0.464 171 E N 1.967 122.220 120.200 0.088 0.000 2.035 171 E HA -0.293 4.056 4.350 -0.001 0.000 0.204 171 E C 2.315 178.968 176.600 0.089 0.000 1.025 171 E CA 2.846 59.296 56.400 0.084 0.000 0.835 171 E CB 0.030 29.766 29.700 0.060 0.000 0.764 171 E HN 0.433 nan 8.360 nan 0.000 0.457 172 K N 0.629 121.077 120.400 0.081 0.000 2.057 172 K HA -0.104 4.216 4.320 -0.001 0.000 0.207 172 K C 2.127 178.801 176.600 0.123 0.000 1.049 172 K CA 1.608 57.945 56.287 0.083 0.000 0.931 172 K CB -1.096 31.441 32.500 0.062 0.000 0.714 172 K HN 0.212 nan 8.250 nan 0.000 0.440 173 L N 0.097 121.413 121.223 0.155 0.000 2.083 173 L HA -0.103 4.237 4.340 -0.001 0.000 0.209 173 L C 2.749 179.795 176.870 0.293 0.000 1.083 173 L CA 0.969 55.974 54.840 0.276 0.000 0.752 173 L CB -0.376 41.867 42.059 0.306 0.000 0.899 173 L HN 0.294 nan 8.230 nan 0.000 0.433 174 L N -0.090 121.240 121.223 0.178 0.000 2.046 174 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 174 L C 3.213 180.140 176.870 0.095 0.000 1.077 174 L CA 1.704 56.614 54.840 0.118 0.000 0.747 174 L CB -1.001 41.123 42.059 0.109 0.000 0.896 174 L HN 0.373 nan 8.230 nan 0.000 0.432 175 E N -0.488 119.774 120.200 0.104 0.000 2.058 175 E HA -0.298 4.052 4.350 -0.001 0.000 0.194 175 E C 2.324 178.990 176.600 0.110 0.000 0.997 175 E CA 1.838 58.289 56.400 0.086 0.000 0.801 175 E CB -0.970 28.777 29.700 0.078 0.000 0.746 175 E HN 0.440 nan 8.360 nan 0.000 0.450 176 S N -0.718 115.088 115.700 0.177 0.000 2.387 176 S HA -0.045 4.425 4.470 -0.001 0.000 0.226 176 S C 2.099 176.869 174.600 0.283 0.000 1.026 176 S CA 1.185 59.530 58.200 0.240 0.000 0.972 176 S CB -0.298 63.078 63.200 0.293 0.000 0.814 176 S HN 0.446 nan 8.310 nan 0.000 0.477 177 L N 1.922 123.298 121.223 0.256 0.000 2.017 177 L HA 0.000 4.340 4.340 -0.001 0.000 0.208 177 L C 2.316 179.191 176.870 0.008 0.000 1.073 177 L CA 1.765 56.565 54.840 -0.068 0.000 0.745 177 L CB -0.897 40.999 42.059 -0.272 0.000 0.894 177 L HN 0.221 nan 8.230 nan 0.000 0.432 178 V N -0.710 119.195 119.914 -0.014 0.000 2.469 178 V HA -0.296 3.823 4.120 -0.001 0.000 0.251 178 V C 2.554 178.639 176.094 -0.015 0.000 1.064 178 V CA 1.786 64.049 62.300 -0.061 0.000 1.066 178 V CB -0.920 30.849 31.823 -0.090 0.000 0.667 178 V HN 0.530 nan 8.190 nan 0.000 0.461 179 S N -0.023 115.689 115.700 0.020 0.000 2.383 179 S HA -0.178 4.292 4.470 -0.001 0.000 0.229 179 S C 1.967 176.549 174.600 -0.030 0.000 1.030 179 S CA 1.605 59.816 58.200 0.019 0.000 1.002 179 S CB -0.275 62.958 63.200 0.056 0.000 0.829 179 S HN 0.447 nan 8.310 nan 0.000 0.467 180 V N 0.119 120.004 119.914 -0.048 0.000 2.453 180 V HA -0.121 3.998 4.120 -0.001 0.000 0.247 180 V C 1.831 177.718 176.094 -0.344 0.000 1.048 180 V CA 1.363 63.565 62.300 -0.163 0.000 1.049 180 V CB -0.836 30.869 31.823 -0.196 0.000 0.672 180 V HN 0.461 nan 8.190 nan 0.000 0.457 181 Y N 0.665 120.678 120.300 -0.479 0.000 2.181 181 Y HA -0.253 4.296 4.550 -0.001 0.000 0.288 181 Y C 2.613 177.896 175.900 -1.029 0.000 1.146 181 Y CA 2.138 59.727 58.100 -0.853 0.000 1.164 181 Y CB -0.241 37.725 38.460 -0.823 0.000 0.982 181 Y HN 0.120 nan 8.280 nan 0.000 0.515 182 K N 0.374 120.527 120.400 -0.411 0.000 2.044 182 K HA -0.278 4.042 4.320 -0.001 0.000 0.210 182 K C 2.398 178.835 176.600 -0.271 0.000 1.049 182 K CA 1.923 58.042 56.287 -0.280 0.000 0.927 182 K CB -0.172 32.344 32.500 0.028 0.000 0.713 182 K HN 0.416 nan 8.250 nan 0.000 0.443 183 E N 0.184 120.261 120.200 -0.204 0.000 2.077 183 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 183 E C 1.963 178.454 176.600 -0.183 0.000 0.989 183 E CA 1.641 57.961 56.400 -0.132 0.000 0.800 183 E CB -0.969 28.674 29.700 -0.095 0.000 0.746 183 E HN 0.200 nan 8.360 nan 0.000 0.452 184 V N 0.173 119.896 119.914 -0.319 0.000 2.295 184 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 184 V C 2.465 178.493 176.094 -0.110 0.000 1.049 184 V CA 1.969 64.112 62.300 -0.261 0.000 1.024 184 V CB -0.749 30.831 31.823 -0.405 0.000 0.648 184 V HN 0.588 nan 8.190 nan 0.000 0.447 185 F N 0.682 120.379 119.950 -0.422 0.000 2.134 185 F HA -0.092 4.434 4.527 -0.001 0.000 0.299 185 F C 2.474 178.046 175.800 -0.380 0.000 1.097 185 F CA 0.994 58.641 58.000 -0.589 0.000 1.264 185 F CB -1.243 36.988 39.000 -1.281 0.000 1.001 185 F HN 0.276 nan 8.300 nan 0.000 0.479 186 E N 0.478 120.633 120.200 -0.074 0.000 2.058 186 E HA -0.265 4.084 4.350 -0.001 0.000 0.194 186 E C 2.532 179.200 176.600 0.113 0.000 0.997 186 E CA 2.055 58.587 56.400 0.219 0.000 0.801 186 E CB -0.274 29.554 29.700 0.213 0.000 0.746 186 E HN 0.437 nan 8.360 nan 0.000 0.450 187 K N 1.285 121.709 120.400 0.041 0.000 2.032 187 K HA -0.145 4.174 4.320 -0.001 0.000 0.209 187 K C 1.997 178.609 176.600 0.021 0.000 1.048 187 K CA 1.570 57.877 56.287 0.033 0.000 0.927 187 K CB -1.224 31.283 32.500 0.012 0.000 0.712 187 K HN 0.064 nan 8.250 nan 0.000 0.441 188 L N 0.322 121.533 121.223 -0.019 0.000 2.012 188 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 188 L C 2.658 179.449 176.870 -0.132 0.000 1.073 188 L CA 1.237 55.993 54.840 -0.139 0.000 0.748 188 L CB -0.546 41.400 42.059 -0.188 0.000 0.891 188 L HN 0.230 nan 8.230 nan 0.000 0.431 189 V N 0.172 120.079 119.914 -0.011 0.000 2.343 189 V HA -0.282 3.838 4.120 -0.001 0.000 0.247 189 V C 3.024 179.150 176.094 0.053 0.000 1.051 189 V CA 2.233 64.558 62.300 0.042 0.000 1.036 189 V CB -1.046 30.880 31.823 0.172 0.000 0.654 189 V HN 0.633 nan 8.190 nan 0.000 0.451 190 E N -0.095 120.148 120.200 0.072 0.000 2.204 190 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 190 E C 1.679 178.324 176.600 0.075 0.000 0.990 190 E CA 1.497 57.941 56.400 0.072 0.000 0.821 190 E CB -0.635 29.109 29.700 0.073 0.000 0.750 190 E HN 0.720 nan 8.360 nan 0.000 0.477 191 N N -0.674 118.074 118.700 0.081 0.000 2.268 191 N HA 0.208 4.948 4.740 -0.001 0.000 0.204 191 N C 0.935 176.573 175.510 0.213 0.000 1.124 191 N CA 0.694 53.836 53.050 0.153 0.000 0.838 191 N CB 1.118 39.739 38.487 0.223 0.000 0.994 191 N HN 0.539 nan 8.380 nan 0.000 0.489 192 G N 1.088 109.956 108.800 0.114 0.000 2.132 192 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.234 192 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.234 192 G C 0.293 175.260 174.900 0.112 0.000 0.989 192 G CA -0.009 45.168 45.100 0.128 0.000 0.676 192 G HN 0.459 nan 8.290 nan 0.000 0.522 193 C N 0.778 120.001 119.300 -0.129 0.000 2.648 193 C HA 0.635 5.095 4.460 -0.001 0.000 0.415 193 C C 1.843 176.776 174.990 -0.096 0.000 1.366 193 C CA 1.364 60.192 59.018 -0.317 0.000 1.756 193 C CB 0.009 27.303 27.740 -0.743 0.000 2.549 193 C HN 0.999 nan 8.230 nan 0.000 0.597 194 K N 3.372 123.761 120.400 -0.018 0.000 2.334 194 K HA 0.280 4.599 4.320 -0.001 0.000 0.195 194 K C 0.665 177.260 176.600 -0.007 0.000 1.045 194 K CA 1.072 57.361 56.287 0.004 0.000 1.004 194 K CB 0.103 32.621 32.500 0.030 0.000 0.837 194 K HN 0.882 nan 8.250 nan 0.000 0.510 195 E N -0.774 119.411 120.200 -0.024 0.000 2.335 195 E HA 0.574 4.923 4.350 -0.001 0.000 0.280 195 E C -1.857 174.713 176.600 -0.050 0.000 0.918 195 E CA -0.615 55.778 56.400 -0.012 0.000 0.765 195 E CB 1.774 31.500 29.700 0.044 0.000 1.218 195 E HN 0.233 nan 8.360 nan 0.000 0.425 196 I N 4.550 125.067 120.570 -0.089 0.000 2.466 196 I HA 0.295 4.464 4.170 -0.001 0.000 0.289 196 I C -0.633 175.440 176.117 -0.073 0.000 1.026 196 I CA -0.824 60.384 61.300 -0.152 0.000 1.078 196 I CB 1.552 39.302 38.000 -0.417 0.000 1.249 196 I HN 0.394 nan 8.210 nan 0.000 0.429 197 L N 6.903 128.105 121.223 -0.035 0.000 2.282 197 L HA 0.398 4.737 4.340 -0.001 0.000 0.287 197 L C -0.485 176.265 176.870 -0.201 0.000 1.075 197 L CA -0.633 54.193 54.840 -0.022 0.000 0.839 197 L CB 0.618 42.615 42.059 -0.103 0.000 1.219 197 L HN 0.303 nan 8.230 nan 0.000 0.434 198 V N 3.350 123.214 119.914 -0.085 0.000 2.370 198 V HA 0.237 4.357 4.120 -0.001 0.000 0.279 198 V C 0.218 176.185 176.094 -0.211 0.000 1.029 198 V CA -0.616 61.604 62.300 -0.134 0.000 0.870 198 V CB 1.355 33.192 31.823 0.023 0.000 0.984 198 V HN 0.674 nan 8.190 nan 0.000 0.451 199 N N 4.482 122.946 118.700 -0.393 0.000 2.437 199 N HA 0.313 5.052 4.740 -0.001 0.000 0.259 199 N C -0.437 174.838 175.510 -0.391 0.000 0.983 199 N CA -0.341 52.452 53.050 -0.428 0.000 0.937 199 N CB 1.729 39.854 38.487 -0.604 0.000 1.122 199 N HN 0.626 nan 8.380 nan 0.000 0.499 200 E N 2.383 122.243 120.200 -0.567 0.000 3.896 200 E HA 0.169 4.519 4.350 -0.001 0.000 0.217 200 E C -1.742 174.372 176.600 -0.811 0.000 1.150 200 E CA -1.427 54.493 56.400 -0.801 0.000 1.338 200 E CB 1.155 29.907 29.700 -1.580 0.000 1.242 200 E HN 0.428 nan 8.360 nan 0.000 0.435 201 P HA -0.140 nan 4.420 nan 0.000 0.219 201 P C 1.246 178.303 177.300 -0.405 0.000 1.146 201 P CA 0.878 63.443 63.100 -0.891 0.000 0.808 201 P CB 0.218 31.121 31.700 -1.328 0.000 0.779 202 A N -0.941 121.840 122.820 -0.064 0.000 2.125 202 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 202 A C 1.704 179.313 177.584 0.041 0.000 1.156 202 A CA 0.897 52.942 52.037 0.014 0.000 0.671 202 A CB -1.643 17.289 19.000 -0.114 0.000 0.794 202 A HN 0.027 nan 8.150 nan 0.000 0.459 203 F N -0.268 119.554 119.950 -0.212 0.000 2.373 203 F HA -0.110 4.417 4.527 -0.001 0.000 0.300 203 F C 2.255 178.026 175.800 -0.048 0.000 1.080 203 F CA 1.102 58.970 58.000 -0.221 0.000 1.417 203 F CB -0.802 38.120 39.000 -0.130 0.000 1.070 203 F HN 0.265 nan 8.300 nan 0.000 0.546 204 V N -3.841 116.139 119.914 0.109 0.000 3.647 204 V HA 0.153 4.273 4.120 -0.001 0.000 0.279 204 V C 1.004 177.147 176.094 0.082 0.000 1.314 204 V CA -0.737 61.623 62.300 0.100 0.000 1.125 204 V CB -1.368 30.484 31.823 0.048 0.000 0.907 204 V HN 0.082 nan 8.190 nan 0.000 0.434 205 C N 1.324 120.638 119.300 0.022 0.000 2.553 205 C HA 0.312 4.771 4.460 -0.001 0.000 0.345 205 C C 0.535 175.526 174.990 0.001 0.000 1.369 205 C CA -0.282 58.727 59.018 -0.014 0.000 2.447 205 C CB 0.058 27.680 27.740 -0.197 0.000 2.358 205 C HN 0.513 nan 8.230 nan 0.000 0.676 206 D N 2.209 122.616 120.400 0.011 0.000 2.367 206 D HA 0.304 4.944 4.640 -0.001 0.000 0.255 206 D C -0.145 176.181 176.300 0.043 0.000 1.300 206 D CA 0.691 54.707 54.000 0.027 0.000 0.959 206 D CB -0.011 40.787 40.800 -0.005 0.000 1.064 206 D HN 0.311 nan 8.370 nan 0.000 0.509 207 L N 1.026 122.287 121.223 0.062 0.000 2.332 207 L HA 0.599 4.939 4.340 -0.001 0.000 0.269 207 L C 1.028 178.077 176.870 0.297 0.000 1.016 207 L CA -0.906 53.980 54.840 0.077 0.000 0.809 207 L CB 1.138 43.110 42.059 -0.146 0.000 1.280 207 L HN 0.237 nan 8.230 nan 0.000 0.447 208 E N -0.220 120.310 120.200 0.550 0.000 2.243 208 E HA 0.523 4.873 4.350 -0.001 0.000 0.260 208 E C 0.607 177.376 176.600 0.283 0.000 0.985 208 E CA 0.029 56.610 56.400 0.302 0.000 0.858 208 E CB 0.977 30.771 29.700 0.157 0.000 1.210 208 E HN 0.633 nan 8.360 nan 0.000 0.411 209 K N -0.151 120.363 120.400 0.190 0.000 2.152 209 K HA 0.088 4.408 4.320 -0.001 0.000 0.206 209 K C 2.402 179.085 176.600 0.138 0.000 1.048 209 K CA 2.376 58.771 56.287 0.180 0.000 0.933 209 K CB -1.103 31.450 32.500 0.087 0.000 0.721 209 K HN 1.265 nan 8.250 nan 0.000 0.447 210 A N 0.482 123.328 122.820 0.042 0.000 1.972 210 A HA -0.121 4.199 4.320 -0.001 0.000 0.219 210 A C 2.169 179.733 177.584 -0.034 0.000 1.169 210 A CA 1.856 53.878 52.037 -0.025 0.000 0.635 210 A CB -0.581 18.360 19.000 -0.098 0.000 0.810 210 A HN 0.810 nan 8.150 nan 0.000 0.446 211 H N -2.459 116.625 119.070 0.024 0.000 2.321 211 H HA -0.183 4.372 4.556 -0.001 0.000 0.300 211 H C 1.798 176.953 175.328 -0.288 0.000 1.087 211 H CA 2.062 58.060 56.048 -0.083 0.000 1.319 211 H CB -0.175 29.485 29.762 -0.169 0.000 1.379 211 H HN 0.720 nan 8.280 nan 0.000 0.501 212 W N 1.178 122.452 121.300 -0.044 0.000 2.425 212 W HA -0.127 4.533 4.660 -0.001 0.000 0.277 212 W C 1.726 178.174 176.519 -0.118 0.000 1.231 212 W CA 0.557 57.790 57.345 -0.186 0.000 1.248 212 W CB 0.107 29.446 29.460 -0.201 0.000 1.117 212 W HN 0.211 nan 8.180 nan 0.000 0.568 213 D N 0.167 120.647 120.400 0.134 0.000 2.117 213 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 213 D C 2.186 178.524 176.300 0.063 0.000 0.987 213 D CA 1.325 55.373 54.000 0.080 0.000 0.829 213 D CB -0.677 40.157 40.800 0.055 0.000 0.961 213 D HN 0.201 nan 8.370 nan 0.000 0.460 214 L N 0.265 121.522 121.223 0.057 0.000 2.072 214 L HA -0.053 4.287 4.340 -0.001 0.000 0.205 214 L C 2.511 179.425 176.870 0.073 0.000 1.079 214 L CA 0.532 55.420 54.840 0.080 0.000 0.752 214 L CB -0.265 41.878 42.059 0.139 0.000 0.906 214 L HN -0.019 nan 8.230 nan 0.000 0.436 215 I N -0.322 120.235 120.570 -0.021 0.000 2.226 215 I HA -0.304 3.866 4.170 -0.001 0.000 0.245 215 I C 2.509 178.719 176.117 0.156 0.000 1.100 215 I CA 1.006 62.292 61.300 -0.023 0.000 1.374 215 I CB -0.222 37.482 38.000 -0.494 0.000 1.057 215 I HN 0.208 nan 8.210 nan 0.000 0.413 216 L N 1.235 122.528 121.223 0.117 0.000 2.012 216 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 216 L C 2.164 179.104 176.870 0.117 0.000 1.073 216 L CA 1.964 56.879 54.840 0.124 0.000 0.748 216 L CB -0.892 41.213 42.059 0.078 0.000 0.891 216 L HN 0.212 nan 8.230 nan 0.000 0.431 217 N N -0.541 118.210 118.700 0.085 0.000 2.104 217 N HA -0.166 4.573 4.740 -0.001 0.000 0.190 217 N C 1.921 177.461 175.510 0.050 0.000 1.024 217 N CA 1.737 54.824 53.050 0.063 0.000 0.853 217 N CB -0.710 37.809 38.487 0.053 0.000 1.008 217 N HN 0.282 nan 8.380 nan 0.000 0.424 218 V N 0.444 120.383 119.914 0.042 0.000 2.255 218 V HA -0.251 3.869 4.120 -0.001 0.000 0.247 218 V C 1.747 177.744 176.094 -0.162 0.000 1.051 218 V CA 1.588 63.840 62.300 -0.079 0.000 1.018 218 V CB -0.710 31.038 31.823 -0.126 0.000 0.641 218 V HN 0.277 nan 8.190 nan 0.000 0.445 219 Y N -0.234 120.100 120.300 0.057 0.000 2.457 219 Y HA -0.016 4.534 4.550 -0.001 0.000 0.292 219 Y C 2.605 178.544 175.900 0.065 0.000 1.125 219 Y CA 0.839 58.982 58.100 0.072 0.000 1.254 219 Y CB -0.249 38.254 38.460 0.071 0.000 1.012 219 Y HN 0.082 nan 8.280 nan 0.000 0.555 220 R N 0.021 120.606 120.500 0.142 0.000 2.120 220 R HA -0.150 4.190 4.340 -0.001 0.000 0.234 220 R C 1.720 178.059 176.300 0.066 0.000 1.123 220 R CA 1.163 57.315 56.100 0.086 0.000 0.975 220 R CB -0.085 30.250 30.300 0.060 0.000 0.866 220 R HN 0.277 nan 8.270 nan 0.000 0.446 221 E N 0.469 120.700 120.200 0.052 0.000 2.274 221 E HA -0.070 4.280 4.350 -0.001 0.000 0.194 221 E C 1.498 178.173 176.600 0.125 0.000 0.996 221 E CA 0.867 57.302 56.400 0.058 0.000 0.840 221 E CB 0.210 29.928 29.700 0.029 0.000 0.772 221 E HN 0.339 nan 8.360 nan 0.000 0.491 222 L N 0.436 121.750 121.223 0.151 0.000 2.728 222 L HA 0.095 4.434 4.340 -0.001 0.000 0.238 222 L C 1.832 178.886 176.870 0.306 0.000 1.143 222 L CA 0.157 55.215 54.840 0.365 0.000 0.937 222 L CB 0.121 42.355 42.059 0.293 0.000 1.225 222 L HN -0.039 nan 8.230 nan 0.000 0.507 223 S N -0.166 115.619 115.700 0.142 0.000 2.465 223 S HA -0.200 4.269 4.470 -0.001 0.000 0.241 223 S C 1.783 176.368 174.600 -0.026 0.000 1.000 223 S CA 1.357 59.605 58.200 0.079 0.000 0.964 223 S CB -0.384 62.844 63.200 0.046 0.000 0.763 223 S HN 0.545 nan 8.310 nan 0.000 0.512 224 E N 0.266 120.353 120.200 -0.189 0.000 2.481 224 E HA 0.342 4.691 4.350 -0.001 0.000 0.195 224 E C 0.228 176.533 176.600 -0.493 0.000 1.047 224 E CA 0.087 56.245 56.400 -0.403 0.000 0.867 224 E CB -0.476 28.866 29.700 -0.598 0.000 0.858 224 E HN 0.722 nan 8.360 nan 0.000 0.513 225 F N -0.601 119.378 119.950 0.048 0.000 2.483 225 F HA 0.480 5.006 4.527 -0.001 0.000 0.329 225 F C -2.078 173.693 175.800 -0.047 0.000 1.064 225 F CA -2.977 55.025 58.000 0.003 0.000 0.986 225 F CB 2.054 41.071 39.000 0.028 0.000 1.218 225 F HN -0.234 nan 8.300 nan 0.000 0.484 226 P HA 0.196 nan 4.420 nan 0.000 0.226 226 P C -0.910 176.375 177.300 -0.025 0.000 1.783 226 P CA 0.234 63.348 63.100 0.023 0.000 0.980 226 P CB -0.344 31.360 31.700 0.007 0.000 1.967 227 L N 0.544 121.762 121.223 -0.008 0.000 2.312 227 L HA 0.416 4.756 4.340 -0.001 0.000 0.281 227 L C 0.508 177.364 176.870 -0.024 0.000 1.070 227 L CA -0.143 54.673 54.840 -0.041 0.000 0.805 227 L CB 0.995 43.071 42.059 0.029 0.000 1.174 227 L HN -0.022 nan 8.230 nan 0.000 0.434 228 T N 2.477 117.015 114.554 -0.028 0.000 2.772 228 T HA 0.411 4.761 4.350 -0.001 0.000 0.288 228 T C -0.108 174.500 174.700 -0.153 0.000 0.994 228 T CA -0.396 61.641 62.100 -0.106 0.000 0.951 228 T CB 1.748 70.586 68.868 -0.049 0.000 0.933 228 T HN 0.185 nan 8.240 nan 0.000 0.447 229 V N 4.700 124.431 119.914 -0.306 0.000 2.439 229 V HA 0.514 4.634 4.120 -0.001 0.000 0.282 229 V C -0.600 175.189 176.094 -0.509 0.000 1.039 229 V CA -0.637 61.477 62.300 -0.310 0.000 0.913 229 V CB 0.645 32.260 31.823 -0.346 0.000 0.983 229 V HN 0.772 nan 8.190 nan 0.000 0.460 230 F N 2.658 122.353 119.950 -0.426 0.000 2.480 230 F HA 0.694 5.221 4.527 -0.001 0.000 0.329 230 F C 0.514 176.062 175.800 -0.421 0.000 1.091 230 F CA -0.491 57.264 58.000 -0.408 0.000 0.972 230 F CB 2.324 40.929 39.000 -0.657 0.000 1.150 230 F HN 0.526 nan 8.300 nan 0.000 0.467 231 T N 0.272 114.805 114.554 -0.036 0.000 2.909 231 T HA 0.810 5.160 4.350 -0.001 0.000 0.299 231 T C -1.358 173.299 174.700 -0.072 0.000 1.073 231 T CA -0.734 61.176 62.100 -0.318 0.000 0.999 231 T CB 1.945 70.685 68.868 -0.214 0.000 1.098 231 T HN 0.633 nan 8.240 nan 0.000 0.477 232 Y N -0.654 119.535 120.300 -0.184 0.000 2.741 232 Y HA 0.588 5.137 4.550 -0.001 0.000 0.339 232 Y C -0.259 175.438 175.900 -0.339 0.000 1.226 232 Y CA -1.730 56.231 58.100 -0.232 0.000 1.072 232 Y CB 0.152 38.457 38.460 -0.259 0.000 1.331 232 Y HN 0.674 nan 8.280 nan 0.000 0.453 233 Y N -2.216 118.192 120.300 0.180 0.000 4.168 233 Y HA -0.172 4.377 4.550 -0.001 0.000 0.342 233 Y C 0.114 176.040 175.900 0.042 0.000 1.201 233 Y CA 0.733 58.871 58.100 0.064 0.000 1.722 233 Y CB -1.501 36.930 38.460 -0.049 0.000 0.841 233 Y HN 0.920 nan 8.280 nan 0.000 0.405 234 D N -1.330 119.170 120.400 0.166 0.000 2.792 234 D HA 0.450 5.090 4.640 -0.001 0.000 0.335 234 D C -0.603 175.753 176.300 0.093 0.000 1.353 234 D CA 0.382 54.456 54.000 0.123 0.000 0.839 234 D CB 1.054 41.928 40.800 0.123 0.000 1.396 234 D HN -0.032 nan 8.370 nan 0.000 0.479 235 S N -0.576 115.176 115.700 0.087 0.000 2.617 235 S HA 0.515 4.985 4.470 -0.001 0.000 0.269 235 S C 0.091 174.770 174.600 0.132 0.000 1.292 235 S CA -0.639 57.613 58.200 0.086 0.000 1.010 235 S CB 1.152 64.386 63.200 0.057 0.000 0.944 235 S HN 0.233 nan 8.310 nan 0.000 0.536 236 V N 3.153 123.183 119.914 0.193 0.000 2.368 236 V HA 0.163 4.283 4.120 -0.001 0.000 0.266 236 V C 1.149 177.340 176.094 0.160 0.000 1.045 236 V CA -0.233 62.212 62.300 0.241 0.000 0.899 236 V CB 0.265 32.312 31.823 0.372 0.000 1.006 236 V HN 1.075 nan 8.190 nan 0.000 0.470 237 S N 2.602 118.388 115.700 0.143 0.000 2.356 237 S HA -0.129 4.341 4.470 -0.001 0.000 0.223 237 S C 1.206 175.813 174.600 0.012 0.000 1.032 237 S CA 1.174 59.425 58.200 0.085 0.000 1.005 237 S CB -0.109 63.148 63.200 0.095 0.000 0.867 237 S HN 0.892 nan 8.310 nan 0.000 0.449 238 D N 0.324 120.679 120.400 -0.076 0.000 2.619 238 D HA 0.104 4.744 4.640 -0.001 0.000 0.224 238 D C 0.560 176.559 176.300 -0.501 0.000 1.133 238 D CA -0.311 53.465 54.000 -0.374 0.000 1.017 238 D CB -0.231 40.120 40.800 -0.747 0.000 1.077 238 D HN 0.321 nan 8.370 nan 0.000 0.503 239 Y N 2.302 122.389 120.300 -0.355 0.000 2.081 239 Y HA -0.330 4.219 4.550 -0.001 0.000 0.280 239 Y C 2.235 177.897 175.900 -0.398 0.000 1.163 239 Y CA 3.027 60.944 58.100 -0.305 0.000 1.135 239 Y CB -0.090 38.235 38.460 -0.226 0.000 0.970 239 Y HN 0.352 nan 8.280 nan 0.000 0.498 240 E N 0.489 120.463 120.200 -0.376 0.000 2.085 240 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 240 E C 2.251 178.545 176.600 -0.510 0.000 0.994 240 E CA 1.805 57.943 56.400 -0.437 0.000 0.801 240 E CB -1.403 28.050 29.700 -0.412 0.000 0.743 240 E HN 0.718 nan 8.360 nan 0.000 0.453 241 A N -0.160 122.268 122.820 -0.654 0.000 1.902 241 A HA -0.086 4.234 4.320 -0.001 0.000 0.217 241 A C 2.642 179.754 177.584 -0.787 0.000 1.181 241 A CA 1.629 53.225 52.037 -0.735 0.000 0.623 241 A CB -1.203 17.157 19.000 -1.066 0.000 0.818 241 A HN 0.752 nan 8.150 nan 0.000 0.443 242 C N -0.194 118.498 119.300 -1.013 0.000 2.432 242 C HA -0.065 4.395 4.460 -0.001 0.000 0.277 242 C C 2.744 177.489 174.990 -0.409 0.000 1.249 242 C CA 1.536 60.149 59.018 -0.675 0.000 1.725 242 C CB -1.295 26.174 27.740 -0.453 0.000 2.028 242 C HN 0.742 nan 8.230 nan 0.000 0.477 243 V N 1.274 120.892 119.914 -0.494 0.000 3.305 243 V HA 0.035 4.154 4.120 -0.001 0.000 0.269 243 V C 1.947 177.804 176.094 -0.394 0.000 1.157 243 V CA 2.130 64.154 62.300 -0.461 0.000 1.157 243 V CB -1.175 30.252 31.823 -0.660 0.000 0.772 243 V HN 0.719 nan 8.190 nan 0.000 0.498 244 S N -0.257 115.236 115.700 -0.345 0.000 2.548 244 S HA 0.296 4.766 4.470 -0.001 0.000 0.215 244 S C 0.705 175.198 174.600 -0.177 0.000 0.976 244 S CA -0.328 57.723 58.200 -0.248 0.000 0.908 244 S CB -0.659 62.404 63.200 -0.229 0.000 0.781 244 S HN 0.573 nan 8.310 nan 0.000 0.519 245 L N 2.244 123.360 121.223 -0.179 0.000 2.485 245 L HA 0.221 4.560 4.340 -0.001 0.000 0.275 245 L C -2.203 174.622 176.870 -0.076 0.000 1.207 245 L CA -1.445 53.333 54.840 -0.104 0.000 0.855 245 L CB -0.024 41.948 42.059 -0.144 0.000 1.114 245 L HN 0.071 nan 8.230 nan 0.000 0.485 246 P HA 0.031 nan 4.420 nan 0.000 0.232 246 P C -0.607 176.709 177.300 0.026 0.000 1.738 246 P CA 0.114 63.219 63.100 0.009 0.000 0.948 246 P CB -0.272 31.457 31.700 0.048 0.000 1.943 247 V N -3.495 116.404 119.914 -0.024 0.000 2.769 247 V HA 0.758 4.878 4.120 -0.001 0.000 0.312 247 V C 1.181 177.255 176.094 -0.033 0.000 1.061 247 V CA -0.633 61.656 62.300 -0.018 0.000 0.931 247 V CB 1.438 33.219 31.823 -0.069 0.000 1.010 247 V HN -0.064 nan 8.190 nan 0.000 0.433 248 K N 2.443 122.836 120.400 -0.011 0.000 2.228 248 K HA 0.316 4.636 4.320 -0.001 0.000 0.202 248 K C 1.125 177.733 176.600 0.013 0.000 1.051 248 K CA 1.116 57.404 56.287 0.002 0.000 0.960 248 K CB -0.143 32.366 32.500 0.014 0.000 0.743 248 K HN 0.841 nan 8.250 nan 0.000 0.458 249 R N -0.906 119.581 120.500 -0.021 0.000 2.575 249 R HA 0.633 4.973 4.340 -0.001 0.000 0.293 249 R C -1.840 174.368 176.300 -0.152 0.000 0.983 249 R CA -0.844 55.227 56.100 -0.048 0.000 0.887 249 R CB 1.759 32.022 30.300 -0.060 0.000 1.184 249 R HN 0.208 nan 8.270 nan 0.000 0.445 250 L N 2.527 123.677 121.223 -0.121 0.000 2.409 250 L HA 0.409 4.748 4.340 -0.001 0.000 0.272 250 L C -1.132 175.531 176.870 -0.345 0.000 0.980 250 L CA -0.595 54.095 54.840 -0.251 0.000 0.826 250 L CB 1.429 43.432 42.059 -0.095 0.000 1.268 250 L HN 0.709 nan 8.230 nan 0.000 0.407 251 H N 3.784 122.419 119.070 -0.725 0.000 2.463 251 H HA 0.698 5.254 4.556 -0.001 0.000 0.332 251 H C -1.602 173.348 175.328 -0.630 0.000 1.127 251 H CA -0.293 55.373 56.048 -0.637 0.000 1.238 251 H CB 1.014 30.173 29.762 -1.004 0.000 1.478 251 H HN 0.488 nan 8.280 nan 0.000 0.499 252 F N 1.839 121.307 119.950 -0.805 0.000 2.577 252 F HA 0.176 4.703 4.527 -0.001 0.000 0.318 252 F C -0.351 174.818 175.800 -1.052 0.000 1.065 252 F CA -1.026 56.484 58.000 -0.816 0.000 0.929 252 F CB 1.755 40.206 39.000 -0.915 0.000 1.237 252 F HN 0.606 nan 8.300 nan 0.000 0.468 253 D N 1.721 121.890 120.400 -0.385 0.000 2.339 253 D HA 0.164 4.803 4.640 -0.001 0.000 0.241 253 D C -0.371 175.759 176.300 -0.284 0.000 1.183 253 D CA 0.052 53.956 54.000 -0.160 0.000 0.859 253 D CB 0.202 41.060 40.800 0.096 0.000 1.067 253 D HN 0.298 nan 8.370 nan 0.000 0.484 254 F N 2.785 122.765 119.950 0.051 0.000 2.647 254 F HA 0.139 4.666 4.527 -0.001 0.000 0.300 254 F C 1.533 177.358 175.800 0.041 0.000 1.106 254 F CA -0.303 57.716 58.000 0.031 0.000 1.313 254 F CB 0.574 39.573 39.000 -0.001 0.000 1.007 254 F HN 0.272 nan 8.300 nan 0.000 0.536 255 V N -1.424 118.595 119.914 0.175 0.000 3.013 255 V HA -0.074 4.045 4.120 -0.001 0.000 0.238 255 V C 2.083 178.247 176.094 0.117 0.000 1.161 255 V CA 1.355 63.738 62.300 0.139 0.000 1.170 255 V CB 0.046 31.944 31.823 0.125 0.000 0.917 255 V HN 0.360 nan 8.190 nan 0.000 0.478 256 S N 1.380 117.150 115.700 0.116 0.000 2.522 256 S HA 0.043 4.512 4.470 -0.001 0.000 0.227 256 S C 0.675 175.338 174.600 0.105 0.000 0.986 256 S CA 0.391 58.661 58.200 0.118 0.000 0.929 256 S CB -0.442 62.845 63.200 0.145 0.000 0.769 256 S HN 0.793 nan 8.310 nan 0.000 0.529 257 N N -1.180 117.576 118.700 0.095 0.000 2.825 257 N HA 0.427 5.166 4.740 -0.001 0.000 0.253 257 N C 0.053 175.612 175.510 0.081 0.000 1.426 257 N CA -0.053 53.046 53.050 0.082 0.000 0.851 257 N CB 1.169 39.699 38.487 0.071 0.000 1.470 257 N HN 0.118 nan 8.380 nan 0.000 0.517 258 E N -0.078 120.161 120.200 0.065 0.000 2.431 258 E HA 0.098 4.448 4.350 -0.001 0.000 0.200 258 E C 1.140 177.763 176.600 0.038 0.000 0.995 258 E CA 0.528 56.962 56.400 0.056 0.000 0.915 258 E CB -0.371 29.353 29.700 0.040 0.000 0.930 258 E HN 0.748 nan 8.360 nan 0.000 0.496 259 E N 1.130 121.346 120.200 0.026 0.000 2.152 259 E HA -0.074 4.276 4.350 -0.001 0.000 0.192 259 E C 1.878 178.451 176.600 -0.045 0.000 0.983 259 E CA 1.019 57.416 56.400 -0.005 0.000 0.818 259 E CB 0.032 29.738 29.700 0.009 0.000 0.758 259 E HN 0.366 nan 8.360 nan 0.000 0.467 260 N N 0.470 119.147 118.700 -0.039 0.000 2.069 260 N HA -0.154 4.585 4.740 -0.001 0.000 0.191 260 N C 1.702 177.211 175.510 -0.002 0.000 1.031 260 N CA 0.780 53.752 53.050 -0.129 0.000 0.852 260 N CB -0.359 37.932 38.487 -0.325 0.000 1.018 260 N HN 0.136 nan 8.380 nan 0.000 0.423 261 L N 1.691 123.016 121.223 0.170 0.000 1.994 261 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 261 L C 2.408 179.239 176.870 -0.066 0.000 1.071 261 L CA 2.467 57.366 54.840 0.098 0.000 0.745 261 L CB -1.166 40.937 42.059 0.072 0.000 0.892 261 L HN 0.185 nan 8.230 nan 0.000 0.431 262 K N -0.463 119.893 120.400 -0.073 0.000 2.074 262 K HA -0.216 4.104 4.320 -0.001 0.000 0.209 262 K C 1.987 178.466 176.600 -0.201 0.000 1.048 262 K CA 1.976 58.195 56.287 -0.114 0.000 0.926 262 K CB -1.504 30.948 32.500 -0.079 0.000 0.713 262 K HN 0.616 nan 8.250 nan 0.000 0.444 263 N N 0.132 118.666 118.700 -0.278 0.000 2.188 263 N HA -0.067 4.673 4.740 -0.001 0.000 0.184 263 N C 1.817 176.880 175.510 -0.745 0.000 1.018 263 N CA 1.478 54.246 53.050 -0.471 0.000 0.858 263 N CB -0.170 37.969 38.487 -0.580 0.000 0.989 263 N HN 0.496 nan 8.380 nan 0.000 0.426 264 L N 1.335 122.152 121.223 -0.677 0.000 2.093 264 L HA -0.062 4.278 4.340 -0.001 0.000 0.208 264 L C 1.931 178.698 176.870 -0.172 0.000 1.085 264 L CA 1.417 56.032 54.840 -0.376 0.000 0.755 264 L CB -0.158 41.854 42.059 -0.078 0.000 0.904 264 L HN 0.074 nan 8.230 nan 0.000 0.435 265 E N -0.081 120.013 120.200 -0.178 0.000 2.110 265 E HA -0.296 4.054 4.350 -0.001 0.000 0.193 265 E C 2.039 178.544 176.600 -0.158 0.000 0.988 265 E CA 1.606 57.925 56.400 -0.135 0.000 0.804 265 E CB -0.024 29.602 29.700 -0.124 0.000 0.745 265 E HN 0.481 nan 8.360 nan 0.000 0.458 266 K N 0.031 120.285 120.400 -0.244 0.000 2.021 266 K HA -0.106 4.213 4.320 -0.001 0.000 0.205 266 K C 1.770 178.147 176.600 -0.372 0.000 1.047 266 K CA 1.141 57.221 56.287 -0.346 0.000 0.943 266 K CB 0.121 32.322 32.500 -0.499 0.000 0.725 266 K HN 0.193 nan 8.250 nan 0.000 0.439 267 H N -0.427 118.564 119.070 -0.132 0.000 2.592 267 H HA 0.189 4.744 4.556 -0.001 0.000 0.265 267 H C 0.998 176.350 175.328 0.041 0.000 0.955 267 H CA 0.686 56.717 56.048 -0.029 0.000 1.175 267 H CB 0.730 30.517 29.762 0.041 0.000 1.433 267 H HN 0.500 nan 8.280 nan 0.000 0.537 268 G N 1.298 110.171 108.800 0.120 0.000 2.693 268 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.226 268 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.226 268 G C -0.939 174.166 174.900 0.342 0.000 1.354 268 G CA -0.134 45.066 45.100 0.166 0.000 0.873 268 G HN 0.320 nan 8.290 nan 0.000 0.562 269 F N 1.145 121.172 119.950 0.127 0.000 2.561 269 F HA 0.647 5.174 4.527 -0.001 0.000 0.313 269 F C -2.023 173.817 175.800 0.067 0.000 1.126 269 F CA -1.832 56.249 58.000 0.135 0.000 0.918 269 F CB 1.854 40.936 39.000 0.136 0.000 1.199 269 F HN 0.491 nan 8.300 nan 0.000 0.444 270 P HA 0.181 nan 4.420 nan 0.000 0.264 270 P C 0.414 177.636 177.300 -0.131 0.000 1.183 270 P CA 0.701 63.608 63.100 -0.320 0.000 0.763 270 P CB 0.663 32.080 31.700 -0.472 0.000 0.807 271 E N 2.323 122.505 120.200 -0.030 0.000 2.274 271 E HA -0.163 4.187 4.350 -0.001 0.000 0.194 271 E C 1.130 177.744 176.600 0.023 0.000 0.996 271 E CA 1.390 57.811 56.400 0.036 0.000 0.840 271 E CB -0.812 28.903 29.700 0.024 0.000 0.772 271 E HN 0.736 nan 8.360 nan 0.000 0.491 272 D N -0.280 120.102 120.400 -0.030 0.000 2.336 272 D HA 0.031 4.671 4.640 -0.001 0.000 0.229 272 D C 0.287 176.578 176.300 -0.016 0.000 1.061 272 D CA 0.231 54.216 54.000 -0.025 0.000 0.875 272 D CB 0.081 40.852 40.800 -0.048 0.000 0.904 272 D HN 0.319 nan 8.370 nan 0.000 0.525 273 K N -0.011 120.394 120.400 0.008 0.000 2.443 273 K HA 0.388 4.707 4.320 -0.001 0.000 0.251 273 K C -0.461 176.335 176.600 0.327 0.000 0.972 273 K CA -0.949 55.389 56.287 0.087 0.000 0.833 273 K CB 2.186 34.633 32.500 -0.089 0.000 1.317 273 K HN -0.236 nan 8.250 nan 0.000 0.441 274 K N 2.010 122.578 120.400 0.279 0.000 2.235 274 K HA 0.319 4.639 4.320 -0.001 0.000 0.266 274 K C -0.722 175.969 176.600 0.151 0.000 0.980 274 K CA -0.889 55.527 56.287 0.214 0.000 0.849 274 K CB 1.327 33.890 32.500 0.106 0.000 1.098 274 K HN 0.390 nan 8.250 nan 0.000 0.445 275 L N 3.237 124.373 121.223 -0.146 0.000 2.290 275 L HA 0.228 4.567 4.340 -0.001 0.000 0.284 275 L C -0.802 175.975 176.870 -0.155 0.000 1.078 275 L CA -0.349 54.263 54.840 -0.381 0.000 0.815 275 L CB 1.164 42.697 42.059 -0.878 0.000 1.162 275 L HN 0.293 nan 8.230 nan 0.000 0.435 276 V N 5.932 125.764 119.914 -0.137 0.000 2.350 276 V HA 0.579 4.698 4.120 -0.001 0.000 0.276 276 V C 0.478 176.580 176.094 0.013 0.000 1.028 276 V CA -0.439 61.798 62.300 -0.105 0.000 0.860 276 V CB 0.950 32.566 31.823 -0.345 0.000 0.990 276 V HN 0.960 nan 8.190 nan 0.000 0.453 277 A N 4.129 127.009 122.820 0.100 0.000 2.316 277 A HA 0.606 4.926 4.320 -0.001 0.000 0.311 277 A C 0.893 178.627 177.584 0.250 0.000 1.339 277 A CA -0.028 52.142 52.037 0.221 0.000 0.960 277 A CB 0.199 19.232 19.000 0.056 0.000 1.152 277 A HN 1.024 nan 8.150 nan 0.000 0.547 278 G N 1.803 110.727 108.800 0.208 0.000 2.605 278 G HA2 0.393 4.352 3.960 -0.001 0.000 0.301 278 G HA3 0.393 4.352 3.960 -0.001 0.000 0.301 278 G C 0.596 175.662 174.900 0.277 0.000 0.881 278 G CA 0.469 45.725 45.100 0.259 0.000 1.553 278 G HN 1.494 nan 8.290 nan 0.000 0.483 279 V N 0.876 120.922 119.914 0.220 0.000 3.604 279 V HA 0.420 4.539 4.120 -0.001 0.000 0.277 279 V C 0.391 176.552 176.094 0.113 0.000 1.399 279 V CA -0.134 62.264 62.300 0.163 0.000 1.034 279 V CB 0.049 31.936 31.823 0.107 0.000 0.824 279 V HN 0.379 nan 8.190 nan 0.000 0.439 280 I N 2.989 123.620 120.570 0.101 0.000 2.339 280 I HA 0.446 4.616 4.170 -0.001 0.000 0.290 280 I C -0.014 176.126 176.117 0.038 0.000 0.994 280 I CA -0.466 60.870 61.300 0.059 0.000 1.191 280 I CB 0.870 38.893 38.000 0.038 0.000 1.343 280 I HN 0.171 nan 8.210 nan 0.000 0.458 281 N N 4.554 123.279 118.700 0.042 0.000 2.440 281 N HA 0.039 4.779 4.740 -0.001 0.000 0.265 281 N C 1.133 176.631 175.510 -0.020 0.000 1.239 281 N CA 0.358 53.428 53.050 0.033 0.000 0.909 281 N CB 1.227 39.752 38.487 0.062 0.000 1.066 281 N HN 0.799 nan 8.380 nan 0.000 0.474 282 G N 3.010 111.781 108.800 -0.048 0.000 2.985 282 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.209 282 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.209 282 G C 1.161 176.058 174.900 -0.005 0.000 1.165 282 G CA 0.009 45.049 45.100 -0.100 0.000 0.776 282 G HN 0.583 nan 8.290 nan 0.000 0.541 283 R N -1.015 119.507 120.500 0.036 0.000 2.373 283 R HA 0.237 4.576 4.340 -0.001 0.000 0.221 283 R C -0.013 176.349 176.300 0.104 0.000 0.893 283 R CA 0.070 56.225 56.100 0.092 0.000 1.049 283 R CB 0.534 30.865 30.300 0.051 0.000 1.119 283 R HN 0.210 nan 8.270 nan 0.000 0.535 284 Q N 0.567 120.365 119.800 -0.005 0.000 2.413 284 Q HA 0.293 4.632 4.340 -0.001 0.000 0.276 284 Q C -2.401 173.397 176.000 -0.336 0.000 1.099 284 Q CA -1.898 53.836 55.803 -0.115 0.000 0.814 284 Q CB 2.665 31.447 28.738 0.073 0.000 1.379 284 Q HN -0.113 nan 8.270 nan 0.000 0.436 285 P HA 0.163 nan 4.420 nan 0.000 0.254 285 P C -0.886 176.085 177.300 -0.547 0.000 1.620 285 P CA -0.093 62.641 63.100 -0.610 0.000 1.050 285 P CB -0.206 31.050 31.700 -0.739 0.000 1.539 286 W N 1.324 122.596 121.300 -0.046 0.000 2.338 286 W HA 0.364 5.024 4.660 -0.001 0.000 0.307 286 W C 0.776 177.273 176.519 -0.036 0.000 1.167 286 W CA -0.963 56.365 57.345 -0.030 0.000 1.208 286 W CB 0.948 30.401 29.460 -0.012 0.000 1.228 286 W HN -0.261 nan 8.180 nan 0.000 0.499 287 K N 1.746 122.257 120.400 0.184 0.000 2.527 287 K HA 0.110 4.429 4.320 -0.001 0.000 0.278 287 K C -0.168 176.492 176.600 0.100 0.000 0.981 287 K CA -0.089 56.251 56.287 0.089 0.000 1.009 287 K CB 0.921 33.451 32.500 0.050 0.000 0.895 287 K HN 0.357 nan 8.250 nan 0.000 0.493 288 V N 2.065 122.009 119.914 0.051 0.000 2.850 288 V HA 0.082 4.201 4.120 -0.001 0.000 0.315 288 V C -0.772 175.318 176.094 -0.007 0.000 1.064 288 V CA -0.693 61.628 62.300 0.034 0.000 0.979 288 V CB 1.938 33.781 31.823 0.034 0.000 1.039 288 V HN 0.798 nan 8.190 nan 0.000 0.452 289 D N 3.894 124.282 120.400 -0.020 0.000 2.359 289 D HA 0.141 4.780 4.640 -0.001 0.000 0.250 289 D C 1.007 177.260 176.300 -0.078 0.000 1.264 289 D CA 0.294 54.263 54.000 -0.052 0.000 0.911 289 D CB 0.480 41.252 40.800 -0.045 0.000 1.056 289 D HN 0.488 nan 8.370 nan 0.000 0.499 290 L N 3.157 124.306 121.223 -0.123 0.000 2.275 290 L HA -0.046 4.294 4.340 -0.001 0.000 0.215 290 L C 2.466 179.194 176.870 -0.236 0.000 1.119 290 L CA 0.481 55.223 54.840 -0.163 0.000 0.790 290 L CB -0.199 41.737 42.059 -0.205 0.000 0.919 290 L HN 0.430 nan 8.230 nan 0.000 0.443 291 R N 0.859 121.197 120.500 -0.271 0.000 2.075 291 R HA -0.188 4.152 4.340 -0.001 0.000 0.232 291 R C 2.699 178.953 176.300 -0.076 0.000 1.126 291 R CA 1.883 57.843 56.100 -0.233 0.000 0.963 291 R CB -0.114 30.080 30.300 -0.177 0.000 0.858 291 R HN 0.238 nan 8.270 nan 0.000 0.435 292 K N 0.015 120.377 120.400 -0.063 0.000 2.057 292 K HA -0.048 4.272 4.320 -0.001 0.000 0.206 292 K C 1.980 178.567 176.600 -0.022 0.000 1.050 292 K CA 1.698 57.967 56.287 -0.031 0.000 0.935 292 K CB -1.023 31.459 32.500 -0.030 0.000 0.715 292 K HN 0.118 nan 8.250 nan 0.000 0.439 293 V N 1.033 120.931 119.914 -0.025 0.000 2.343 293 V HA -0.197 3.922 4.120 -0.001 0.000 0.247 293 V C 2.938 179.035 176.094 0.005 0.000 1.051 293 V CA 1.854 64.149 62.300 -0.009 0.000 1.036 293 V CB -0.890 30.932 31.823 -0.001 0.000 0.654 293 V HN 0.669 nan 8.190 nan 0.000 0.451 294 A N -0.193 122.643 122.820 0.027 0.000 1.908 294 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 294 A C 2.500 180.124 177.584 0.067 0.000 1.181 294 A CA 2.428 54.525 52.037 0.100 0.000 0.627 294 A CB -0.807 18.350 19.000 0.261 0.000 0.818 294 A HN 0.509 nan 8.150 nan 0.000 0.445 295 S N -0.577 115.151 115.700 0.047 0.000 2.368 295 S HA -0.154 4.316 4.470 -0.001 0.000 0.225 295 S C 1.876 176.460 174.600 -0.026 0.000 1.030 295 S CA 1.450 59.660 58.200 0.017 0.000 0.999 295 S CB -0.475 62.732 63.200 0.011 0.000 0.844 295 S HN 0.536 nan 8.310 nan 0.000 0.459 296 L N 2.148 123.345 121.223 -0.042 0.000 2.012 296 L HA -0.054 4.286 4.340 -0.001 0.000 0.210 296 L C 2.192 178.984 176.870 -0.131 0.000 1.073 296 L CA 1.687 56.470 54.840 -0.094 0.000 0.748 296 L CB -1.001 41.005 42.059 -0.089 0.000 0.891 296 L HN 0.143 nan 8.230 nan 0.000 0.431 297 V N 0.429 120.290 119.914 -0.087 0.000 2.332 297 V HA -0.313 3.807 4.120 -0.001 0.000 0.248 297 V C 3.059 179.100 176.094 -0.087 0.000 1.055 297 V CA 2.284 64.530 62.300 -0.091 0.000 1.038 297 V CB -1.516 30.293 31.823 -0.023 0.000 0.651 297 V HN 0.718 nan 8.190 nan 0.000 0.450 298 E N 0.356 120.525 120.200 -0.051 0.000 2.072 298 E HA -0.274 4.076 4.350 -0.001 0.000 0.191 298 E C 2.331 178.890 176.600 -0.068 0.000 0.985 298 E CA 2.189 58.562 56.400 -0.044 0.000 0.801 298 E CB -0.873 28.818 29.700 -0.016 0.000 0.750 298 E HN 0.719 nan 8.360 nan 0.000 0.452 299 K N 0.561 120.911 120.400 -0.084 0.000 2.063 299 K HA 0.104 4.424 4.320 -0.001 0.000 0.208 299 K C 2.348 178.866 176.600 -0.136 0.000 1.048 299 K CA 1.462 57.690 56.287 -0.098 0.000 0.928 299 K CB -0.942 31.496 32.500 -0.103 0.000 0.713 299 K HN 0.450 nan 8.250 nan 0.000 0.442 300 L N -0.853 120.249 121.223 -0.201 0.000 2.275 300 L HA 0.106 4.446 4.340 -0.001 0.000 0.215 300 L C 1.856 178.616 176.870 -0.184 0.000 1.119 300 L CA 0.739 55.418 54.840 -0.268 0.000 0.790 300 L CB -0.301 41.489 42.059 -0.448 0.000 0.919 300 L HN 0.656 nan 8.230 nan 0.000 0.443 301 G N 0.286 109.009 108.800 -0.130 0.000 2.221 301 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.265 301 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.265 301 G C 0.270 175.111 174.900 -0.098 0.000 1.041 301 G CA 0.106 45.154 45.100 -0.087 0.000 0.807 301 G HN 0.536 nan 8.290 nan 0.000 0.502 302 A N -0.040 122.710 122.820 -0.117 0.000 2.363 302 A HA 0.757 5.076 4.320 -0.001 0.000 0.270 302 A C 1.436 178.996 177.584 -0.040 0.000 1.121 302 A CA 0.832 52.806 52.037 -0.104 0.000 0.800 302 A CB 0.635 19.571 19.000 -0.106 0.000 1.052 302 A HN 1.557 nan 8.150 nan 0.000 0.493 303 S N 0.733 116.423 115.700 -0.017 0.000 2.548 303 S HA 0.503 4.972 4.470 -0.001 0.000 0.215 303 S C 0.562 175.198 174.600 0.060 0.000 0.976 303 S CA 0.399 58.611 58.200 0.021 0.000 0.908 303 S CB -0.116 63.102 63.200 0.030 0.000 0.781 303 S HN 1.633 nan 8.310 nan 0.000 0.519 304 A N 1.389 124.253 122.820 0.074 0.000 2.539 304 A HA 0.823 5.142 4.320 -0.001 0.000 0.296 304 A C -0.732 176.943 177.584 0.153 0.000 1.073 304 A CA -1.144 50.989 52.037 0.161 0.000 0.700 304 A CB 1.142 20.307 19.000 0.276 0.000 1.296 304 A HN 0.664 nan 8.150 nan 0.000 0.405 305 I N -1.082 119.620 120.570 0.220 0.000 3.002 305 I HA 0.956 5.126 4.170 -0.001 0.000 0.310 305 I C -0.234 176.067 176.117 0.307 0.000 1.087 305 I CA -0.635 60.790 61.300 0.207 0.000 1.017 305 I CB 2.411 40.500 38.000 0.149 0.000 1.226 305 I HN 0.995 nan 8.210 nan 0.000 0.443 306 S N 1.142 117.023 115.700 0.302 0.000 2.636 306 S HA 0.389 4.859 4.470 -0.001 0.000 0.266 306 S C -1.268 173.490 174.600 0.264 0.000 1.147 306 S CA -1.121 57.291 58.200 0.354 0.000 0.815 306 S CB 0.920 64.460 63.200 0.566 0.000 1.119 306 S HN 0.966 nan 8.310 nan 0.000 0.470 307 N N 0.865 119.645 118.700 0.134 0.000 2.415 307 N HA 0.111 4.850 4.740 -0.001 0.000 0.248 307 N C 1.280 176.867 175.510 0.129 0.000 1.271 307 N CA 0.251 53.295 53.050 -0.011 0.000 0.913 307 N CB 0.592 38.907 38.487 -0.285 0.000 1.129 307 N HN 0.892 nan 8.380 nan 0.000 0.444 308 S N -0.469 115.289 115.700 0.096 0.000 2.395 308 S HA 0.014 4.483 4.470 -0.001 0.000 0.225 308 S C 1.177 175.896 174.600 0.198 0.000 1.027 308 S CA 0.476 58.807 58.200 0.218 0.000 0.965 308 S CB -0.700 62.584 63.200 0.140 0.000 0.812 308 S HN 0.906 nan 8.310 nan 0.000 0.482 309 C N -1.671 117.548 119.300 -0.135 0.000 3.323 309 C HA 0.783 5.242 4.460 -0.001 0.000 0.324 309 C C -3.309 171.250 174.990 -0.717 0.000 1.428 309 C CA -2.663 56.083 59.018 -0.454 0.000 1.368 309 C CB 0.672 28.271 27.740 -0.235 0.000 1.731 309 C HN 0.111 nan 8.230 nan 0.000 0.455 310 P HA 0.171 nan 4.420 nan 0.000 0.266 310 P C 0.682 177.457 177.300 -0.876 0.000 1.195 310 P CA 0.218 62.685 63.100 -1.054 0.000 0.768 310 P CB 0.340 31.149 31.700 -1.485 0.000 0.838 311 L N 2.268 123.032 121.223 -0.764 0.000 2.465 311 L HA -0.085 4.255 4.340 -0.001 0.000 0.224 311 L C 1.707 178.326 176.870 -0.418 0.000 1.145 311 L CA 0.876 55.436 54.840 -0.466 0.000 0.834 311 L CB -0.756 41.109 42.059 -0.323 0.000 0.944 311 L HN 0.441 nan 8.230 nan 0.000 0.451 312 F N -2.358 117.351 119.950 -0.402 0.000 2.722 312 F HA -0.049 4.477 4.527 -0.001 0.000 0.298 312 F C 2.001 177.605 175.800 -0.327 0.000 1.175 312 F CA 0.335 58.088 58.000 -0.412 0.000 1.462 312 F CB -1.299 37.427 39.000 -0.455 0.000 1.111 312 F HN 0.124 nan 8.300 nan 0.000 0.592 313 H N 0.815 119.906 119.070 0.035 0.000 2.547 313 H HA 0.362 4.918 4.556 -0.001 0.000 0.266 313 H C 0.380 175.773 175.328 0.109 0.000 0.988 313 H CA 0.205 56.346 56.048 0.155 0.000 1.147 313 H CB 0.103 29.945 29.762 0.134 0.000 1.365 313 H HN 0.328 nan 8.280 nan 0.000 0.589 314 L N 0.830 122.067 121.223 0.024 0.000 2.319 314 L HA 0.381 4.720 4.340 -0.001 0.000 0.267 314 L C -2.200 174.523 176.870 -0.245 0.000 1.011 314 L CA -2.177 52.581 54.840 -0.138 0.000 0.818 314 L CB 2.181 44.105 42.059 -0.225 0.000 1.316 314 L HN -0.127 nan 8.230 nan 0.000 0.432 315 P HA 0.099 nan 4.420 nan 0.000 0.274 315 P C 0.647 177.811 177.300 -0.228 0.000 1.256 315 P CA -0.492 62.370 63.100 -0.395 0.000 0.795 315 P CB 0.768 32.026 31.700 -0.737 0.000 1.038 316 V N -1.186 118.668 119.914 -0.100 0.000 2.270 316 V HA -0.063 4.057 4.120 -0.001 0.000 0.245 316 V C 1.239 177.392 176.094 0.099 0.000 1.043 316 V CA 2.194 64.449 62.300 -0.074 0.000 1.014 316 V CB -0.625 31.211 31.823 0.022 0.000 0.645 316 V HN 0.695 nan 8.190 nan 0.000 0.447 317 T N -1.866 112.815 114.554 0.211 0.000 2.982 317 T HA 0.381 4.730 4.350 -0.001 0.000 0.321 317 T C -0.319 174.492 174.700 0.185 0.000 1.229 317 T CA -0.509 61.711 62.100 0.200 0.000 1.044 317 T CB 1.659 70.612 68.868 0.143 0.000 1.184 317 T HN -0.032 nan 8.240 nan 0.000 0.477 318 L N 4.332 125.501 121.223 -0.090 0.000 2.492 318 L HA 0.326 4.666 4.340 -0.001 0.000 0.223 318 L C 2.422 179.185 176.870 -0.178 0.000 1.132 318 L CA 2.516 57.118 54.840 -0.398 0.000 0.850 318 L CB -0.914 40.710 42.059 -0.725 0.000 0.966 318 L HN 0.960 nan 8.230 nan 0.000 0.454 319 E N 0.375 120.529 120.200 -0.077 0.000 2.086 319 E HA -0.245 4.105 4.350 -0.001 0.000 0.205 319 E C 1.838 178.415 176.600 -0.039 0.000 1.027 319 E CA 2.403 58.774 56.400 -0.048 0.000 0.830 319 E CB -1.197 28.500 29.700 -0.006 0.000 0.751 319 E HN 0.645 nan 8.360 nan 0.000 0.456 320 L N 0.606 121.822 121.223 -0.011 0.000 2.629 320 L HA 0.159 4.499 4.340 -0.001 0.000 0.230 320 L C 0.358 177.223 176.870 -0.009 0.000 1.151 320 L CA -0.185 54.654 54.840 -0.002 0.000 0.924 320 L CB 0.272 42.345 42.059 0.022 0.000 1.137 320 L HN 0.145 nan 8.230 nan 0.000 0.457 321 E N 1.671 121.849 120.200 -0.037 0.000 1.814 321 E HA 0.083 4.433 4.350 -0.001 0.000 0.264 321 E C 0.691 177.257 176.600 -0.056 0.000 1.179 321 E CA 0.156 56.530 56.400 -0.043 0.000 0.972 321 E CB 0.328 29.982 29.700 -0.077 0.000 1.077 321 E HN 0.420 nan 8.360 nan 0.000 0.417 322 N N 2.563 121.243 118.700 -0.034 0.000 2.204 322 N HA -0.025 4.714 4.740 -0.001 0.000 0.219 322 N C 0.751 176.244 175.510 -0.028 0.000 1.151 322 N CA -0.234 52.796 53.050 -0.034 0.000 0.867 322 N CB 0.127 38.600 38.487 -0.024 0.000 1.043 322 N HN 0.031 nan 8.380 nan 0.000 0.516 323 N N 0.260 118.945 118.700 -0.025 0.000 2.416 323 N HA 0.317 5.057 4.740 -0.001 0.000 0.267 323 N C -0.881 174.612 175.510 -0.028 0.000 1.294 323 N CA -0.215 52.823 53.050 -0.020 0.000 0.891 323 N CB -0.189 38.294 38.487 -0.006 0.000 1.238 323 N HN 0.373 nan 8.380 nan 0.000 0.508 324 L N 0.791 121.983 121.223 -0.051 0.000 2.399 324 L HA 0.531 4.870 4.340 -0.001 0.000 0.266 324 L C -1.514 175.299 176.870 -0.096 0.000 1.114 324 L CA -1.799 52.994 54.840 -0.079 0.000 0.804 324 L CB 0.246 42.239 42.059 -0.110 0.000 1.146 324 L HN 0.082 nan 8.230 nan 0.000 0.451 325 P HA -0.018 nan 4.420 nan 0.000 0.267 325 P C -0.064 177.161 177.300 -0.125 0.000 1.195 325 P CA -0.179 62.845 63.100 -0.127 0.000 0.773 325 P CB 0.284 31.849 31.700 -0.225 0.000 0.837 326 G N 1.050 109.813 108.800 -0.062 0.000 2.225 326 G HA2 0.298 4.258 3.960 -0.001 0.000 0.245 326 G HA3 0.298 4.258 3.960 -0.001 0.000 0.245 326 G C 1.106 175.976 174.900 -0.051 0.000 1.249 326 G CA 0.262 45.335 45.100 -0.044 0.000 0.919 326 G HN 0.918 nan 8.290 nan 0.000 0.486 327 G N 1.487 110.258 108.800 -0.048 0.000 2.253 327 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.251 327 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.251 327 G C 1.203 176.075 174.900 -0.046 0.000 0.998 327 G CA 0.846 45.926 45.100 -0.034 0.000 0.621 327 G HN 1.093 nan 8.290 nan 0.000 0.524 328 L N 1.315 122.476 121.223 -0.103 0.000 1.988 328 L HA 0.308 4.648 4.340 -0.001 0.000 0.207 328 L C 2.649 179.472 176.870 -0.079 0.000 1.071 328 L CA 3.172 57.943 54.840 -0.116 0.000 0.744 328 L CB -0.847 41.040 42.059 -0.287 0.000 0.893 328 L HN 0.358 nan 8.230 nan 0.000 0.433 329 K N -0.358 119.972 120.400 -0.117 0.000 2.127 329 K HA -0.267 4.052 4.320 -0.001 0.000 0.208 329 K C 1.909 178.439 176.600 -0.116 0.000 1.047 329 K CA 2.104 58.304 56.287 -0.145 0.000 0.927 329 K CB -0.191 32.226 32.500 -0.138 0.000 0.716 329 K HN 0.556 nan 8.250 nan 0.000 0.450 330 E N 1.033 121.192 120.200 -0.069 0.000 2.333 330 E HA -0.177 4.173 4.350 -0.001 0.000 0.198 330 E C 1.477 178.068 176.600 -0.016 0.000 1.007 330 E CA 1.636 58.009 56.400 -0.045 0.000 0.845 330 E CB -0.381 29.301 29.700 -0.029 0.000 0.766 330 E HN 0.515 nan 8.360 nan 0.000 0.507 331 K N -1.244 119.168 120.400 0.021 0.000 2.358 331 K HA 0.354 4.674 4.320 -0.001 0.000 0.200 331 K C 0.237 176.921 176.600 0.140 0.000 1.030 331 K CA -0.282 56.072 56.287 0.113 0.000 1.097 331 K CB 0.554 33.175 32.500 0.202 0.000 0.862 331 K HN 0.253 nan 8.250 nan 0.000 0.534 332 L N 0.501 121.704 121.223 -0.034 0.000 2.387 332 L HA 0.588 4.928 4.340 -0.001 0.000 0.266 332 L C -0.462 176.268 176.870 -0.232 0.000 1.059 332 L CA -0.971 53.754 54.840 -0.192 0.000 0.801 332 L CB 1.656 43.483 42.059 -0.387 0.000 1.223 332 L HN -0.079 nan 8.230 nan 0.000 0.456 333 A N 1.425 124.095 122.820 -0.250 0.000 2.485 333 A HA 0.640 4.960 4.320 -0.001 0.000 0.285 333 A C -1.131 176.439 177.584 -0.023 0.000 1.045 333 A CA -0.503 51.429 52.037 -0.175 0.000 0.792 333 A CB 0.550 19.504 19.000 -0.076 0.000 1.307 333 A HN 0.349 nan 8.150 nan 0.000 0.406 334 F N 1.221 121.062 119.950 -0.182 0.000 2.272 334 F HA 0.681 5.208 4.527 -0.001 0.000 0.316 334 F C 2.005 177.718 175.800 -0.146 0.000 1.068 334 F CA -0.455 57.423 58.000 -0.204 0.000 1.114 334 F CB 0.107 38.998 39.000 -0.182 0.000 1.611 334 F HN 0.636 nan 8.300 nan 0.000 0.519 335 A N 0.301 123.148 122.820 0.046 0.000 1.873 335 A HA -0.247 4.073 4.320 -0.001 0.000 0.218 335 A C 2.197 179.864 177.584 0.139 0.000 1.193 335 A CA 2.362 54.373 52.037 -0.045 0.000 0.629 335 A CB -1.037 17.751 19.000 -0.352 0.000 0.826 335 A HN 0.740 nan 8.150 nan 0.000 0.447 336 K N -0.477 120.057 120.400 0.222 0.000 2.063 336 K HA -0.224 4.095 4.320 -0.001 0.000 0.208 336 K C 1.771 178.412 176.600 0.069 0.000 1.048 336 K CA 1.900 58.322 56.287 0.226 0.000 0.928 336 K CB -0.159 32.453 32.500 0.187 0.000 0.713 336 K HN 0.439 nan 8.250 nan 0.000 0.442 337 E N 0.502 120.725 120.200 0.038 0.000 2.204 337 E HA -0.098 4.252 4.350 -0.001 0.000 0.194 337 E C 1.751 178.346 176.600 -0.009 0.000 0.989 337 E CA 0.882 57.275 56.400 -0.011 0.000 0.824 337 E CB 0.132 29.800 29.700 -0.054 0.000 0.756 337 E HN 0.189 nan 8.360 nan 0.000 0.477 338 K N 0.303 120.706 120.400 0.005 0.000 2.097 338 K HA -0.041 4.278 4.320 -0.001 0.000 0.205 338 K C 2.111 178.710 176.600 -0.001 0.000 1.050 338 K CA 0.727 57.011 56.287 -0.005 0.000 0.938 338 K CB -0.321 32.167 32.500 -0.021 0.000 0.718 338 K HN 0.240 nan 8.250 nan 0.000 0.442 339 L N 0.928 122.152 121.223 0.003 0.000 2.046 339 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 339 L C 2.201 179.056 176.870 -0.025 0.000 1.077 339 L CA 1.410 56.237 54.840 -0.022 0.000 0.747 339 L CB -0.449 41.552 42.059 -0.097 0.000 0.896 339 L HN 0.232 nan 8.230 nan 0.000 0.432 340 E N -0.103 120.080 120.200 -0.029 0.000 2.150 340 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 340 E C 2.052 178.642 176.600 -0.016 0.000 0.985 340 E CA 0.877 57.260 56.400 -0.029 0.000 0.814 340 E CB 0.011 29.691 29.700 -0.033 0.000 0.752 340 E HN 0.495 nan 8.360 nan 0.000 0.466 341 E N 0.582 120.775 120.200 -0.011 0.000 2.077 341 E HA -0.164 4.185 4.350 -0.001 0.000 0.193 341 E C 2.122 178.727 176.600 0.009 0.000 0.989 341 E CA 0.703 57.100 56.400 -0.006 0.000 0.800 341 E CB -0.032 29.665 29.700 -0.004 0.000 0.746 341 E HN 0.254 nan 8.360 nan 0.000 0.452 342 L N 0.876 122.110 121.223 0.019 0.000 2.083 342 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 342 L C 2.490 179.380 176.870 0.034 0.000 1.083 342 L CA 0.890 55.754 54.840 0.040 0.000 0.752 342 L CB -0.247 41.846 42.059 0.057 0.000 0.899 342 L HN 0.017 nan 8.230 nan 0.000 0.433 343 K N 0.699 121.107 120.400 0.014 0.000 2.026 343 K HA -0.207 4.113 4.320 -0.001 0.000 0.208 343 K C 2.099 178.706 176.600 0.012 0.000 1.048 343 K CA 1.794 58.084 56.287 0.005 0.000 0.929 343 K CB -0.341 32.151 32.500 -0.014 0.000 0.713 343 K HN 0.135 nan 8.250 nan 0.000 0.439 344 M N -0.249 119.357 119.600 0.011 0.000 2.229 344 M HA -0.086 4.393 4.480 -0.001 0.000 0.264 344 M C 1.760 178.096 176.300 0.060 0.000 1.063 344 M CA 1.251 56.564 55.300 0.022 0.000 1.114 344 M CB -0.091 32.510 32.600 0.000 0.000 1.387 344 M HN 0.251 nan 8.290 nan 0.000 0.420 345 L N 0.750 122.005 121.223 0.054 0.000 2.056 345 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 345 L C 2.293 179.233 176.870 0.116 0.000 1.078 345 L CA 1.971 56.865 54.840 0.090 0.000 0.749 345 L CB -0.832 41.264 42.059 0.063 0.000 0.901 345 L HN 0.326 nan 8.230 nan 0.000 0.433 346 K N -0.677 119.766 120.400 0.072 0.000 2.032 346 K HA -0.219 4.101 4.320 -0.001 0.000 0.209 346 K C 1.766 178.385 176.600 0.031 0.000 1.048 346 K CA 1.943 58.260 56.287 0.050 0.000 0.927 346 K CB -0.261 32.258 32.500 0.031 0.000 0.712 346 K HN 0.345 nan 8.250 nan 0.000 0.441 347 D N 0.202 120.618 120.400 0.026 0.000 2.104 347 D HA -0.187 4.452 4.640 -0.001 0.000 0.194 347 D C 1.683 177.974 176.300 -0.015 0.000 0.994 347 D CA 1.096 55.090 54.000 -0.010 0.000 0.830 347 D CB -0.394 40.399 40.800 -0.012 0.000 0.959 347 D HN 0.231 nan 8.370 nan 0.000 0.452 348 F N 1.159 121.059 119.950 -0.083 0.000 2.102 348 F HA -0.117 4.410 4.527 -0.001 0.000 0.298 348 F C 2.170 177.933 175.800 -0.062 0.000 1.105 348 F CA 1.114 59.064 58.000 -0.083 0.000 1.239 348 F CB -0.297 38.678 39.000 -0.041 0.000 0.991 348 F HN -0.103 nan 8.300 nan 0.000 0.474 349 L N -0.167 121.069 121.223 0.022 0.000 2.265 349 L HA -0.172 4.167 4.340 -0.001 0.000 0.215 349 L C 1.779 178.573 176.870 -0.126 0.000 1.117 349 L CA 1.359 56.163 54.840 -0.059 0.000 0.782 349 L CB -0.533 41.551 42.059 0.042 0.000 0.914 349 L HN 0.210 nan 8.230 nan 0.000 0.441 350 E N -0.582 119.546 120.200 -0.119 0.000 2.479 350 E HA 0.084 4.433 4.350 -0.001 0.000 0.193 350 E C 1.231 177.729 176.600 -0.170 0.000 1.049 350 E CA 0.429 56.760 56.400 -0.115 0.000 0.870 350 E CB 0.402 30.057 29.700 -0.076 0.000 0.944 350 E HN 0.471 nan 8.360 nan 0.000 0.492 351 G N 0.927 109.562 108.800 -0.276 0.000 2.143 351 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.248 351 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.248 351 G C 0.969 175.601 174.900 -0.448 0.000 0.991 351 G CA 0.746 45.639 45.100 -0.345 0.000 0.689 351 G HN 0.419 nan 8.290 nan 0.000 0.522 352 K N -1.146 119.033 120.400 -0.368 0.000 2.361 352 K HA 0.632 4.951 4.320 -0.001 0.000 0.194 352 K C 0.895 177.258 176.600 -0.395 0.000 1.032 352 K CA 1.640 57.736 56.287 -0.319 0.000 1.048 352 K CB 0.346 32.746 32.500 -0.167 0.000 0.842 352 K HN 0.756 nan 8.250 nan 0.000 0.526 353 T N -0.645 113.634 114.554 -0.458 0.000 2.916 353 T HA 0.603 4.953 4.350 -0.001 0.000 0.298 353 T C -0.513 173.998 174.700 -0.315 0.000 1.031 353 T CA -0.521 61.393 62.100 -0.310 0.000 0.993 353 T CB 1.185 70.021 68.868 -0.053 0.000 1.045 353 T HN 0.111 nan 8.240 nan 0.000 0.454 354 F N 0.008 120.038 119.950 0.133 0.000 2.637 354 F HA 0.320 4.847 4.527 -0.001 0.000 0.284 354 F C 0.959 176.863 175.800 0.174 0.000 1.105 354 F CA -0.419 57.683 58.000 0.170 0.000 1.356 354 F CB 0.309 39.358 39.000 0.082 0.000 1.096 354 F HN 0.363 nan 8.300 nan 0.000 0.616 355 D N 1.753 122.308 120.400 0.259 0.000 2.316 355 D HA 0.377 5.017 4.640 -0.001 0.000 0.245 355 D C -0.314 176.029 176.300 0.072 0.000 1.171 355 D CA 0.398 54.484 54.000 0.143 0.000 0.856 355 D CB 0.725 41.585 40.800 0.099 0.000 1.090 355 D HN -0.011 nan 8.370 nan 0.000 0.476 356 L N 3.623 124.854 121.223 0.014 0.000 2.330 356 L HA 0.511 4.851 4.340 -0.001 0.000 0.271 356 L C -1.793 175.046 176.870 -0.051 0.000 1.013 356 L CA -1.883 52.914 54.840 -0.071 0.000 0.816 356 L CB 1.043 42.970 42.059 -0.220 0.000 1.287 356 L HN 0.164 nan 8.230 nan 0.000 0.435 357 P HA 0.192 nan 4.420 nan 0.000 0.269 357 P C 0.444 177.717 177.300 -0.045 0.000 1.215 357 P CA -0.036 63.040 63.100 -0.040 0.000 0.780 357 P CB 0.546 32.223 31.700 -0.038 0.000 0.898 358 N N 0.648 119.330 118.700 -0.031 0.000 2.132 358 N HA 0.083 4.822 4.740 -0.001 0.000 0.187 358 N C 0.668 176.161 175.510 -0.028 0.000 1.038 358 N CA 1.191 54.224 53.050 -0.029 0.000 0.846 358 N CB -0.689 37.786 38.487 -0.020 0.000 1.012 358 N HN 0.394 nan 8.380 nan 0.000 0.429 368 L N 2.996 124.218 121.223 -0.000 0.000 2.079 368 L HA -0.097 4.243 4.340 -0.001 0.000 0.210 368 L C 2.808 179.678 176.870 0.000 0.000 1.081 368 L CA 3.158 57.998 54.840 -0.001 0.000 0.752 368 L CB -1.992 40.067 42.059 0.001 0.000 0.896 368 L HN 0.652 nan 8.230 nan 0.000 0.433 369 Q N -0.958 118.843 119.800 0.001 0.000 2.119 369 Q HA 0.111 4.450 4.340 -0.001 0.000 0.201 369 Q C 2.577 178.577 176.000 0.000 0.000 0.972 369 Q CA 2.668 58.471 55.803 0.001 0.000 0.847 369 Q CB -1.072 27.667 28.738 0.001 0.000 0.903 369 Q HN 1.272 nan 8.270 nan 0.000 0.433 370 A N -0.104 122.716 122.820 -0.000 0.000 1.929 370 A HA 0.083 4.403 4.320 -0.001 0.000 0.216 370 A C 2.561 180.148 177.584 0.006 0.000 1.176 370 A CA 1.482 53.519 52.037 0.001 0.000 0.628 370 A CB -0.409 18.589 19.000 -0.002 0.000 0.816 370 A HN 0.494 nan 8.150 nan 0.000 0.444 371 V N 0.247 120.162 119.914 0.002 0.000 2.287 371 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 371 V C 3.143 179.245 176.094 0.012 0.000 1.053 371 V CA 2.758 65.060 62.300 0.004 0.000 1.027 371 V CB -1.306 30.514 31.823 -0.005 0.000 0.646 371 V HN 0.783 nan 8.190 nan 0.000 0.447 372 E N 0.232 120.437 120.200 0.009 0.000 2.077 372 E HA -0.299 4.050 4.350 -0.001 0.000 0.193 372 E C 2.351 178.960 176.600 0.015 0.000 0.989 372 E CA 2.354 58.761 56.400 0.012 0.000 0.800 372 E CB -0.950 28.754 29.700 0.006 0.000 0.746 372 E HN 0.686 nan 8.360 nan 0.000 0.452 373 R N 0.275 120.781 120.500 0.010 0.000 2.105 373 R HA 0.046 4.386 4.340 -0.001 0.000 0.239 373 R C 2.786 179.095 176.300 0.016 0.000 1.135 373 R CA 1.644 57.746 56.100 0.003 0.000 0.967 373 R CB -1.463 28.833 30.300 -0.006 0.000 0.861 373 R HN 0.445 nan 8.270 nan 0.000 0.442 374 V N 0.353 120.292 119.914 0.041 0.000 2.323 374 V HA -0.154 3.966 4.120 -0.001 0.000 0.244 374 V C 3.257 179.424 176.094 0.122 0.000 1.041 374 V CA 2.335 64.692 62.300 0.096 0.000 1.025 374 V CB -0.810 31.088 31.823 0.124 0.000 0.656 374 V HN 0.773 nan 8.190 nan 0.000 0.451 375 R N 0.407 120.956 120.500 0.082 0.000 2.152 375 R HA -0.077 4.262 4.340 -0.001 0.000 0.232 375 R C 1.464 177.809 176.300 0.075 0.000 1.117 375 R CA 1.756 57.903 56.100 0.078 0.000 0.981 375 R CB -0.959 29.367 30.300 0.043 0.000 0.870 375 R HN 0.655 nan 8.270 nan 0.000 0.451 376 N N 0.138 118.869 118.700 0.053 0.000 2.389 376 N HA 0.227 4.966 4.740 -0.001 0.000 0.260 376 N C -0.838 174.686 175.510 0.023 0.000 1.191 376 N CA -0.213 52.860 53.050 0.038 0.000 0.885 376 N CB 0.328 38.827 38.487 0.020 0.000 1.162 376 N HN 0.358 nan 8.380 nan 0.000 0.512 377 L N 1.793 123.035 121.223 0.030 0.000 2.499 377 L HA 0.152 4.492 4.340 -0.001 0.000 0.273 377 L C -1.645 175.207 176.870 -0.029 0.000 1.195 377 L CA -1.141 53.673 54.840 -0.043 0.000 0.882 377 L CB -0.016 41.977 42.059 -0.110 0.000 1.133 377 L HN -0.132 nan 8.230 nan 0.000 0.483 378 P HA 0.059 nan 4.420 nan 0.000 0.267 378 P C 0.618 177.905 177.300 -0.023 0.000 1.200 378 P CA 0.081 63.154 63.100 -0.044 0.000 0.772 378 P CB 0.617 32.274 31.700 -0.071 0.000 0.855 379 E N 1.007 121.241 120.200 0.057 0.000 2.333 379 E HA -0.137 4.212 4.350 -0.001 0.000 0.198 379 E C 1.560 178.235 176.600 0.125 0.000 1.007 379 E CA 1.927 58.414 56.400 0.145 0.000 0.845 379 E CB -1.552 28.215 29.700 0.113 0.000 0.766 379 E HN 0.702 nan 8.360 nan 0.000 0.507 380 D N -0.261 120.148 120.400 0.015 0.000 2.340 380 D HA 0.163 4.803 4.640 -0.001 0.000 0.220 380 D C 2.027 178.266 176.300 -0.102 0.000 1.039 380 D CA 0.798 54.792 54.000 -0.010 0.000 0.866 380 D CB -0.422 40.365 40.800 -0.021 0.000 0.913 380 D HN 0.396 nan 8.370 nan 0.000 0.523 381 S N -0.279 115.252 115.700 -0.281 0.000 2.447 381 S HA 0.069 4.538 4.470 -0.001 0.000 0.233 381 S C 0.889 175.152 174.600 -0.562 0.000 1.006 381 S CA 0.418 58.304 58.200 -0.522 0.000 0.957 381 S CB -0.316 62.387 63.200 -0.828 0.000 0.773 381 S HN 0.671 nan 8.310 nan 0.000 0.507 382 F N 1.590 121.501 119.950 -0.065 0.000 2.660 382 F HA 0.417 4.944 4.527 -0.001 0.000 0.302 382 F C 1.133 176.915 175.800 -0.031 0.000 1.103 382 F CA -0.273 57.692 58.000 -0.058 0.000 1.340 382 F CB -0.262 38.708 39.000 -0.051 0.000 1.048 382 F HN 0.009 nan 8.300 nan 0.000 0.551 383 R N 0.390 120.927 120.500 0.062 0.000 2.771 383 R HA 0.789 5.129 4.340 -0.001 0.000 0.274 383 R C -0.298 175.998 176.300 -0.008 0.000 0.987 383 R CA -1.089 55.032 56.100 0.035 0.000 0.908 383 R CB 0.854 31.177 30.300 0.038 0.000 1.213 383 R HN 0.203 nan 8.270 nan 0.000 0.468 384 R N 0.507 121.002 120.500 -0.008 0.000 2.528 384 R HA 0.430 4.770 4.340 -0.001 0.000 0.271 384 R C 1.866 178.158 176.300 -0.014 0.000 1.056 384 R CA 0.338 56.428 56.100 -0.016 0.000 1.117 384 R CB 0.952 31.247 30.300 -0.008 0.000 1.085 384 R HN 0.956 nan 8.270 nan 0.000 0.530 385 E N 1.515 121.705 120.200 -0.017 0.000 2.049 385 E HA -0.178 4.171 4.350 -0.001 0.000 0.198 385 E C 0.848 177.441 176.600 -0.012 0.000 1.007 385 E CA 2.325 58.715 56.400 -0.015 0.000 0.809 385 E CB -0.530 29.161 29.700 -0.016 0.000 0.749 385 E HN 0.617 nan 8.360 nan 0.000 0.450 386 K N -0.031 120.363 120.400 -0.011 0.000 2.203 386 K HA 0.719 5.039 4.320 -0.001 0.000 0.251 386 K C 0.222 176.817 176.600 -0.010 0.000 0.944 386 K CA 0.212 56.491 56.287 -0.013 0.000 0.829 386 K CB 0.676 33.164 32.500 -0.019 0.000 1.125 386 K HN 0.880 nan 8.250 nan 0.000 0.430 387 E N -0.004 120.190 120.200 -0.010 0.000 2.376 387 E HA 0.364 4.714 4.350 -0.001 0.000 0.254 387 E C 0.813 177.421 176.600 0.014 0.000 1.213 387 E CA 0.363 56.764 56.400 0.002 0.000 0.945 387 E CB -0.021 29.679 29.700 -0.000 0.000 1.057 387 E HN 0.894 nan 8.360 nan 0.000 0.479 388 Y N 0.580 120.826 120.300 -0.091 0.000 2.097 388 Y HA -0.218 4.332 4.550 -0.001 0.000 0.282 388 Y C 2.581 178.447 175.900 -0.056 0.000 1.152 388 Y CA 3.078 61.122 58.100 -0.093 0.000 1.136 388 Y CB -0.662 37.706 38.460 -0.153 0.000 0.975 388 Y HN 0.596 nan 8.280 nan 0.000 0.498 389 T N 0.214 114.668 114.554 -0.167 0.000 2.653 389 T HA -0.305 4.045 4.350 -0.001 0.000 0.268 389 T C 2.050 176.614 174.700 -0.227 0.000 1.035 389 T CA 2.476 64.440 62.100 -0.227 0.000 1.154 389 T CB -0.756 68.075 68.868 -0.062 0.000 0.862 389 T HN 0.668 nan 8.240 nan 0.000 0.441 390 E N 1.751 121.866 120.200 -0.141 0.000 2.072 390 E HA -0.095 4.254 4.350 -0.001 0.000 0.190 390 E C 2.134 178.660 176.600 -0.124 0.000 0.982 390 E CA 0.994 57.330 56.400 -0.106 0.000 0.803 390 E CB -0.578 29.086 29.700 -0.060 0.000 0.755 390 E HN 0.569 nan 8.360 nan 0.000 0.453 391 R N 0.221 120.638 120.500 -0.139 0.000 2.080 391 R HA -0.134 4.205 4.340 -0.001 0.000 0.236 391 R C 2.404 178.601 176.300 -0.172 0.000 1.137 391 R CA 1.592 57.624 56.100 -0.114 0.000 0.943 391 R CB -0.498 29.766 30.300 -0.060 0.000 0.846 391 R HN 0.467 nan 8.270 nan 0.000 0.431 392 D N 0.584 120.752 120.400 -0.387 0.000 2.133 392 D HA -0.183 4.457 4.640 -0.001 0.000 0.192 392 D C 1.959 178.148 176.300 -0.185 0.000 1.001 392 D CA 1.541 55.295 54.000 -0.410 0.000 0.844 392 D CB 0.006 40.323 40.800 -0.805 0.000 0.944 392 D HN 0.114 nan 8.370 nan 0.000 0.447 393 R N -0.181 120.219 120.500 -0.166 0.000 2.080 393 R HA -0.099 4.241 4.340 -0.001 0.000 0.236 393 R C 2.722 178.988 176.300 -0.056 0.000 1.137 393 R CA 1.345 57.390 56.100 -0.091 0.000 0.943 393 R CB -0.511 29.742 30.300 -0.079 0.000 0.846 393 R HN 0.347 nan 8.270 nan 0.000 0.431 394 I N 1.041 121.578 120.570 -0.054 0.000 2.163 394 I HA -0.322 3.848 4.170 -0.001 0.000 0.243 394 I C 2.493 178.606 176.117 -0.006 0.000 1.085 394 I CA 1.556 62.840 61.300 -0.026 0.000 1.347 394 I CB -0.353 37.633 38.000 -0.023 0.000 1.044 394 I HN 0.257 nan 8.210 nan 0.000 0.408 395 Q N 0.392 120.192 119.800 -0.001 0.000 2.016 395 Q HA -0.171 4.169 4.340 -0.001 0.000 0.200 395 Q C 2.392 178.421 176.000 0.048 0.000 0.978 395 Q CA 1.360 57.188 55.803 0.041 0.000 0.833 395 Q CB -0.177 28.605 28.738 0.073 0.000 0.895 395 Q HN 0.409 nan 8.270 nan 0.000 0.427 396 R N 0.080 120.597 120.500 0.028 0.000 2.159 396 R HA -0.171 4.169 4.340 -0.001 0.000 0.237 396 R C 2.442 178.747 176.300 0.009 0.000 1.131 396 R CA 1.534 57.649 56.100 0.024 0.000 0.982 396 R CB -0.287 30.013 30.300 0.001 0.000 0.868 396 R HN 0.410 nan 8.270 nan 0.000 0.453 397 E N 1.222 121.423 120.200 0.002 0.000 2.112 397 E HA -0.134 4.215 4.350 -0.001 0.000 0.190 397 E C 1.826 178.431 176.600 0.008 0.000 0.979 397 E CA 0.912 57.312 56.400 -0.001 0.000 0.814 397 E CB -0.406 29.290 29.700 -0.006 0.000 0.762 397 E HN 0.369 nan 8.360 nan 0.000 0.460 398 R N -0.591 119.920 120.500 0.018 0.000 2.090 398 R HA 0.091 4.431 4.340 -0.001 0.000 0.228 398 R C 2.268 178.588 176.300 0.033 0.000 1.110 398 R CA 1.177 57.292 56.100 0.025 0.000 0.973 398 R CB -0.199 30.121 30.300 0.032 0.000 0.869 398 R HN 0.439 nan 8.270 nan 0.000 0.440 399 L N -0.265 120.984 121.223 0.043 0.000 2.253 399 L HA 0.114 4.454 4.340 -0.001 0.000 0.205 399 L C 1.027 177.912 176.870 0.024 0.000 1.078 399 L CA 0.774 55.644 54.840 0.051 0.000 0.805 399 L CB -0.549 41.565 42.059 0.092 0.000 0.963 399 L HN 0.478 nan 8.230 nan 0.000 0.459 400 N N 0.973 119.678 118.700 0.009 0.000 2.738 400 N HA -0.184 4.555 4.740 -0.001 0.000 0.249 400 N C -0.103 175.390 175.510 -0.028 0.000 1.047 400 N CA 0.781 53.825 53.050 -0.010 0.000 0.707 400 N CB -2.651 35.833 38.487 -0.005 0.000 0.937 400 N HN 0.252 nan 8.380 nan 0.000 0.545 401 L N -0.270 120.922 121.223 -0.051 0.000 2.350 401 L HA 0.607 4.946 4.340 -0.001 0.000 0.275 401 L C -0.963 175.833 176.870 -0.123 0.000 1.099 401 L CA -1.614 53.164 54.840 -0.104 0.000 0.808 401 L CB 0.918 42.863 42.059 -0.190 0.000 1.149 401 L HN 0.406 nan 8.230 nan 0.000 0.442 402 P HA 0.066 nan 4.420 nan 0.000 0.271 402 P C -0.484 176.719 177.300 -0.162 0.000 1.244 402 P CA -0.689 62.349 63.100 -0.102 0.000 0.793 402 P CB 0.779 32.442 31.700 -0.061 0.000 0.984 403 L N 0.905 122.037 121.223 -0.152 0.000 2.482 403 L HA 0.096 4.435 4.340 -0.001 0.000 0.273 403 L C 0.131 176.893 176.870 -0.180 0.000 1.228 403 L CA 0.266 54.941 54.840 -0.276 0.000 0.827 403 L CB -1.129 40.749 42.059 -0.302 0.000 1.099 403 L HN 0.294 nan 8.230 nan 0.000 0.494 404 F N 1.877 121.751 119.950 -0.127 0.000 2.829 404 F HA -0.173 4.353 4.527 -0.001 0.000 0.237 404 F C -1.896 173.808 175.800 -0.160 0.000 1.017 404 F CA -0.062 57.871 58.000 -0.111 0.000 0.882 404 F CB -2.187 36.786 39.000 -0.045 0.000 0.795 404 F HN 0.378 nan 8.300 nan 0.000 0.848 405 P HA 0.217 nan 4.420 nan 0.000 0.271 405 P C 0.231 177.492 177.300 -0.064 0.000 1.218 405 P CA 0.027 62.956 63.100 -0.285 0.000 0.780 405 P CB 1.148 32.375 31.700 -0.788 0.000 0.901 406 T N -0.950 113.632 114.554 0.046 0.000 2.859 406 T HA 0.664 5.013 4.350 -0.001 0.000 0.281 406 T C -0.212 174.632 174.700 0.239 0.000 1.005 406 T CA -0.540 61.660 62.100 0.167 0.000 1.025 406 T CB 1.390 70.337 68.868 0.132 0.000 0.977 406 T HN 0.503 nan 8.240 nan 0.000 0.458 407 T N 0.514 115.246 114.554 0.297 0.000 2.711 407 T HA 0.749 5.098 4.350 -0.001 0.000 0.302 407 T C -0.820 173.994 174.700 0.189 0.000 1.373 407 T CA -0.161 62.102 62.100 0.271 0.000 1.000 407 T CB 1.483 70.575 68.868 0.374 0.000 1.483 407 T HN 1.221 nan 8.240 nan 0.000 0.499 408 T N -0.524 114.092 114.554 0.104 0.000 2.858 408 T HA 0.601 4.951 4.350 -0.001 0.000 0.285 408 T C 0.666 175.277 174.700 -0.148 0.000 1.052 408 T CA -0.839 61.257 62.100 -0.007 0.000 1.009 408 T CB 0.898 69.764 68.868 -0.003 0.000 1.241 408 T HN 0.327 nan 8.240 nan 0.000 0.542 409 I N 0.143 120.543 120.570 -0.282 0.000 3.427 409 I HA 0.331 4.501 4.170 -0.001 0.000 0.288 409 I C 1.897 177.766 176.117 -0.413 0.000 1.249 409 I CA 1.210 62.271 61.300 -0.397 0.000 1.421 409 I CB -0.790 36.872 38.000 -0.562 0.000 1.086 409 I HN 1.103 nan 8.210 nan 0.000 0.448 410 G N 0.468 108.985 108.800 -0.472 0.000 4.241 410 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.193 410 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.193 410 G C 0.251 174.722 174.900 -0.716 0.000 1.789 410 G CA 0.124 44.933 45.100 -0.484 0.000 1.025 410 G HN 0.360 nan 8.290 nan 0.000 0.346 411 S N 0.990 116.312 115.700 -0.631 0.000 2.584 411 S HA 0.779 5.248 4.470 -0.001 0.000 0.273 411 S C -0.550 173.624 174.600 -0.710 0.000 1.311 411 S CA -0.277 57.538 58.200 -0.642 0.000 1.034 411 S CB 1.425 64.375 63.200 -0.416 0.000 0.939 411 S HN 0.349 nan 8.310 nan 0.000 0.513 412 F N 0.961 120.633 119.950 -0.463 0.000 2.594 412 F HA 0.630 5.157 4.527 -0.001 0.000 0.335 412 F C -2.307 173.272 175.800 -0.368 0.000 1.058 412 F CA -2.426 55.341 58.000 -0.389 0.000 0.981 412 F CB 0.661 39.554 39.000 -0.179 0.000 1.289 412 F HN 0.363 nan 8.300 nan 0.000 0.490 413 P HA 0.035 nan 4.420 nan 0.000 0.266 413 P C -1.437 175.799 177.300 -0.105 0.000 1.193 413 P CA 0.074 62.886 63.100 -0.480 0.000 0.770 413 P CB 0.269 31.270 31.700 -1.163 0.000 0.836 414 Q N 0.787 120.587 119.800 -0.000 0.000 2.394 414 Q HA 0.275 4.615 4.340 -0.001 0.000 0.259 414 Q C 0.121 176.193 176.000 0.120 0.000 1.021 414 Q CA -0.594 55.294 55.803 0.143 0.000 0.805 414 Q CB 0.795 29.603 28.738 0.117 0.000 1.226 414 Q HN 0.468 nan 8.270 nan 0.000 0.476 415 T N -0.680 113.983 114.554 0.181 0.000 2.855 415 T HA 0.075 4.425 4.350 -0.001 0.000 0.314 415 T C -1.353 173.402 174.700 0.091 0.000 1.077 415 T CA -1.232 60.958 62.100 0.151 0.000 1.095 415 T CB 0.410 69.368 68.868 0.150 0.000 0.987 415 T HN 0.314 nan 8.240 nan 0.000 0.546 416 P HA -0.157 nan 4.420 nan 0.000 0.216 416 P C 1.633 178.959 177.300 0.045 0.000 1.150 416 P CA 2.081 65.213 63.100 0.052 0.000 0.843 416 P CB -0.351 31.375 31.700 0.043 0.000 0.787 417 E N 0.452 120.675 120.200 0.039 0.000 2.038 417 E HA -0.172 4.177 4.350 -0.001 0.000 0.195 417 E C 2.303 178.920 176.600 0.029 0.000 1.000 417 E CA 2.094 58.509 56.400 0.025 0.000 0.803 417 E CB -1.730 27.975 29.700 0.008 0.000 0.750 417 E HN 0.099 nan 8.360 nan 0.000 0.448 418 V N 0.881 120.816 119.914 0.035 0.000 2.324 418 V HA -0.253 3.867 4.120 -0.001 0.000 0.250 418 V C 3.134 179.270 176.094 0.071 0.000 1.060 418 V CA 3.085 65.414 62.300 0.048 0.000 1.042 418 V CB -1.243 30.627 31.823 0.077 0.000 0.650 418 V HN 0.798 nan 8.190 nan 0.000 0.450 419 R N 0.257 120.799 120.500 0.071 0.000 2.075 419 R HA -0.135 4.204 4.340 -0.001 0.000 0.232 419 R C 2.417 178.751 176.300 0.057 0.000 1.126 419 R CA 2.378 58.518 56.100 0.067 0.000 0.963 419 R CB -1.321 29.015 30.300 0.060 0.000 0.858 419 R HN 0.633 nan 8.270 nan 0.000 0.435 420 K N -0.614 119.814 120.400 0.047 0.000 2.002 420 K HA 0.095 4.415 4.320 -0.001 0.000 0.209 420 K C 2.894 179.518 176.600 0.040 0.000 1.048 420 K CA 3.222 59.533 56.287 0.040 0.000 0.930 420 K CB -1.504 31.014 32.500 0.031 0.000 0.714 420 K HN 0.756 nan 8.250 nan 0.000 0.438 421 M N 1.181 120.803 119.600 0.038 0.000 2.073 421 M HA -0.106 4.374 4.480 -0.001 0.000 0.258 421 M C 2.464 178.793 176.300 0.048 0.000 1.070 421 M CA 3.033 58.355 55.300 0.037 0.000 1.103 421 M CB -1.274 31.344 32.600 0.030 0.000 1.321 421 M HN 0.640 nan 8.290 nan 0.000 0.405 422 R N 0.320 120.856 120.500 0.061 0.000 2.083 422 R HA -0.137 4.202 4.340 -0.001 0.000 0.237 422 R C 2.708 179.048 176.300 0.067 0.000 1.137 422 R CA 2.473 58.616 56.100 0.072 0.000 0.951 422 R CB -0.582 29.768 30.300 0.084 0.000 0.851 422 R HN 0.691 nan 8.270 nan 0.000 0.434 423 S N 0.591 116.329 115.700 0.063 0.000 2.370 423 S HA -0.097 4.372 4.470 -0.001 0.000 0.226 423 S C 1.439 176.071 174.600 0.053 0.000 1.033 423 S CA 1.853 60.090 58.200 0.062 0.000 1.011 423 S CB -0.647 62.588 63.200 0.057 0.000 0.852 423 S HN 0.591 nan 8.310 nan 0.000 0.457 439 I N 2.655 123.235 120.570 0.017 0.000 2.208 439 I HA -0.194 3.975 4.170 -0.001 0.000 0.245 439 I C 2.814 178.973 176.117 0.071 0.000 1.097 439 I CA 2.645 63.989 61.300 0.074 0.000 1.363 439 I CB -1.750 36.317 38.000 0.110 0.000 1.051 439 I HN 0.594 nan 8.210 nan 0.000 0.413 440 K N 0.892 121.262 120.400 -0.049 0.000 2.103 440 K HA -0.221 4.099 4.320 -0.001 0.000 0.207 440 K C 2.246 178.889 176.600 0.071 0.000 1.048 440 K CA 1.995 58.172 56.287 -0.184 0.000 0.930 440 K CB -1.566 30.631 32.500 -0.504 0.000 0.716 440 K HN 0.592 nan 8.250 nan 0.000 0.444 441 E N 1.156 121.373 120.200 0.029 0.000 2.047 441 E HA -0.222 4.128 4.350 -0.001 0.000 0.191 441 E C 2.230 178.847 176.600 0.029 0.000 0.987 441 E CA 1.327 57.752 56.400 0.041 0.000 0.799 441 E CB -0.582 29.113 29.700 -0.009 0.000 0.752 441 E HN 0.712 nan 8.360 nan 0.000 0.449 442 Q N -0.024 119.757 119.800 -0.033 0.000 2.084 442 Q HA -0.021 4.318 4.340 -0.001 0.000 0.202 442 Q C 2.451 178.495 176.000 0.074 0.000 0.978 442 Q CA 1.329 57.024 55.803 -0.181 0.000 0.844 442 Q CB -0.392 28.018 28.738 -0.546 0.000 0.898 442 Q HN 0.689 nan 8.270 nan 0.000 0.426 443 I N 1.078 121.827 120.570 0.298 0.000 2.179 443 I HA -0.299 3.871 4.170 -0.001 0.000 0.242 443 I C 2.808 179.117 176.117 0.321 0.000 1.088 443 I CA 1.837 63.410 61.300 0.456 0.000 1.357 443 I CB -0.670 37.644 38.000 0.524 0.000 1.051 443 I HN 0.228 nan 8.210 nan 0.000 0.409 444 K N 1.406 121.980 120.400 0.291 0.000 2.001 444 K HA -0.260 4.060 4.320 -0.001 0.000 0.214 444 K C 2.464 179.111 176.600 0.078 0.000 1.050 444 K CA 2.502 58.884 56.287 0.159 0.000 0.934 444 K CB -1.593 31.012 32.500 0.175 0.000 0.718 444 K HN 0.445 nan 8.250 nan 0.000 0.443 445 K N 0.446 120.870 120.400 0.040 0.000 2.103 445 K HA 0.239 4.559 4.320 -0.001 0.000 0.207 445 K C 2.673 179.238 176.600 -0.059 0.000 1.048 445 K CA 1.963 58.221 56.287 -0.049 0.000 0.930 445 K CB -1.227 31.199 32.500 -0.123 0.000 0.716 445 K HN 0.856 nan 8.250 nan 0.000 0.444 446 A N 0.590 123.443 122.820 0.054 0.000 1.898 446 A HA 0.086 4.405 4.320 -0.001 0.000 0.216 446 A C 2.445 180.084 177.584 0.092 0.000 1.181 446 A CA 1.438 53.533 52.037 0.097 0.000 0.620 446 A CB -0.234 19.048 19.000 0.469 0.000 0.819 446 A HN 0.484 nan 8.150 nan 0.000 0.442 447 I N -0.163 120.491 120.570 0.140 0.000 2.315 447 I HA -0.195 3.974 4.170 -0.001 0.000 0.248 447 I C 3.057 179.201 176.117 0.044 0.000 1.117 447 I CA 1.390 62.756 61.300 0.110 0.000 1.404 447 I CB -0.477 37.577 38.000 0.089 0.000 1.071 447 I HN 0.536 nan 8.210 nan 0.000 0.419 448 E N 1.022 121.228 120.200 0.010 0.000 2.038 448 E HA -0.285 4.064 4.350 -0.001 0.000 0.195 448 E C 2.070 178.649 176.600 -0.034 0.000 1.000 448 E CA 1.808 58.197 56.400 -0.019 0.000 0.803 448 E CB -1.116 28.561 29.700 -0.038 0.000 0.750 448 E HN 0.418 nan 8.360 nan 0.000 0.448 449 L N 0.675 121.855 121.223 -0.071 0.000 2.042 449 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 449 L C 2.569 179.418 176.870 -0.034 0.000 1.076 449 L CA 2.648 57.430 54.840 -0.096 0.000 0.749 449 L CB -0.532 41.404 42.059 -0.206 0.000 0.893 449 L HN 0.473 nan 8.230 nan 0.000 0.432 450 Q N -0.509 119.294 119.800 0.005 0.000 2.061 450 Q HA -0.248 4.092 4.340 -0.001 0.000 0.204 450 Q C 2.131 178.167 176.000 0.059 0.000 0.984 450 Q CA 2.194 58.039 55.803 0.071 0.000 0.846 450 Q CB -0.202 28.623 28.738 0.147 0.000 0.902 450 Q HN 0.645 nan 8.270 nan 0.000 0.421 451 E N 0.513 120.738 120.200 0.042 0.000 2.038 451 E HA -0.227 4.122 4.350 -0.001 0.000 0.195 451 E C 2.028 178.638 176.600 0.017 0.000 1.000 451 E CA 1.005 57.423 56.400 0.030 0.000 0.803 451 E CB -0.091 29.619 29.700 0.018 0.000 0.750 451 E HN 0.253 nan 8.360 nan 0.000 0.448 452 E N 0.942 121.144 120.200 0.002 0.000 2.204 452 E HA -0.195 4.155 4.350 -0.001 0.000 0.195 452 E C 1.944 178.544 176.600 -0.001 0.000 0.990 452 E CA 0.816 57.212 56.400 -0.007 0.000 0.821 452 E CB -0.013 29.672 29.700 -0.025 0.000 0.750 452 E HN 0.328 nan 8.360 nan 0.000 0.477 453 I N -0.599 119.978 120.570 0.010 0.000 2.406 453 I HA -0.093 4.077 4.170 -0.001 0.000 0.249 453 I C 1.615 177.750 176.117 0.029 0.000 1.122 453 I CA 1.125 62.438 61.300 0.021 0.000 1.431 453 I CB 0.024 38.050 38.000 0.043 0.000 1.087 453 I HN 0.345 nan 8.210 nan 0.000 0.424 454 G N 0.952 109.775 108.800 0.038 0.000 2.148 454 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.157 454 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.157 454 G C 0.085 175.018 174.900 0.054 0.000 1.012 454 G CA -0.616 44.506 45.100 0.037 0.000 0.677 454 G HN 0.145 nan 8.290 nan 0.000 0.506 455 L N 0.705 121.974 121.223 0.078 0.000 2.456 455 L HA 0.282 4.621 4.340 -0.001 0.000 0.272 455 L C 1.279 178.202 176.870 0.088 0.000 1.189 455 L CA -0.376 54.526 54.840 0.103 0.000 0.846 455 L CB 0.484 42.632 42.059 0.148 0.000 1.111 455 L HN 0.061 nan 8.230 nan 0.000 0.475 456 D N 1.139 121.590 120.400 0.086 0.000 2.162 456 D HA 0.027 4.666 4.640 -0.001 0.000 0.205 456 D C 0.160 176.516 176.300 0.093 0.000 0.964 456 D CA 1.157 55.191 54.000 0.057 0.000 0.847 456 D CB 0.486 41.283 40.800 -0.004 0.000 0.988 456 D HN 0.160 nan 8.370 nan 0.000 0.480 457 V N 2.107 122.115 119.914 0.158 0.000 2.448 457 V HA 0.254 4.373 4.120 -0.001 0.000 0.295 457 V C -0.244 175.945 176.094 0.159 0.000 1.025 457 V CA -0.735 61.676 62.300 0.185 0.000 0.859 457 V CB 2.070 34.086 31.823 0.322 0.000 0.988 457 V HN -0.091 nan 8.190 nan 0.000 0.431 458 L N 5.178 126.478 121.223 0.128 0.000 2.358 458 L HA 0.805 5.144 4.340 -0.001 0.000 0.268 458 L C 0.072 177.009 176.870 0.112 0.000 1.032 458 L CA -0.187 54.739 54.840 0.142 0.000 0.805 458 L CB 1.899 44.042 42.059 0.141 0.000 1.253 458 L HN 0.623 nan 8.230 nan 0.000 0.452 459 V N -2.165 117.835 119.914 0.142 0.000 3.102 459 V HA 0.490 4.610 4.120 -0.001 0.000 0.312 459 V C 0.494 176.697 176.094 0.182 0.000 1.135 459 V CA -0.469 61.877 62.300 0.076 0.000 1.022 459 V CB 1.751 33.480 31.823 -0.156 0.000 1.056 459 V HN 0.906 nan 8.190 nan 0.000 0.436 460 H N 0.050 119.123 119.070 0.005 0.000 2.563 460 H HA 0.338 4.893 4.556 -0.001 0.000 0.264 460 H C 1.236 176.559 175.328 -0.009 0.000 0.957 460 H CA 1.065 57.162 56.048 0.082 0.000 1.173 460 H CB 0.747 30.552 29.762 0.072 0.000 1.420 460 H HN 1.742 nan 8.280 nan 0.000 0.551 461 G N 1.270 109.620 108.800 -0.750 0.000 2.232 461 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.226 461 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.226 461 G C 0.256 174.368 174.900 -1.313 0.000 0.996 461 G CA 0.071 44.548 45.100 -1.037 0.000 0.626 461 G HN 0.446 nan 8.290 nan 0.000 0.509 462 E N -1.300 118.092 120.200 -1.346 0.000 2.586 462 E HA -0.278 4.071 4.350 -0.001 0.000 0.259 462 E C 0.985 177.286 176.600 -0.499 0.000 1.107 462 E CA 0.716 56.627 56.400 -0.815 0.000 0.754 462 E CB -1.681 27.656 29.700 -0.604 0.000 1.335 462 E HN 0.603 nan 8.360 nan 0.000 0.411 463 F N 1.106 120.963 119.950 -0.155 0.000 2.269 463 F HA -0.151 4.375 4.527 -0.001 0.000 0.301 463 F C 2.657 178.431 175.800 -0.043 0.000 1.082 463 F CA 1.568 59.542 58.000 -0.043 0.000 1.360 463 F CB -0.176 38.850 39.000 0.043 0.000 1.041 463 F HN 0.178 nan 8.300 nan 0.000 0.512 464 E N 1.478 121.725 120.200 0.079 0.000 2.502 464 E HA -0.049 4.300 4.350 -0.001 0.000 0.194 464 E C 0.018 176.595 176.600 -0.039 0.000 1.062 464 E CA 0.188 56.625 56.400 0.061 0.000 0.867 464 E CB -0.221 29.541 29.700 0.104 0.000 0.888 464 E HN 0.342 nan 8.360 nan 0.000 0.510 465 R N 0.655 121.035 120.500 -0.199 0.000 2.514 465 R HA 0.265 4.604 4.340 -0.001 0.000 0.301 465 R C 1.124 177.387 176.300 -0.061 0.000 0.962 465 R CA 0.265 56.208 56.100 -0.262 0.000 0.882 465 R CB 1.301 31.215 30.300 -0.644 0.000 1.143 465 R HN 0.084 nan 8.270 nan 0.000 0.452 466 T N -1.490 113.093 114.554 0.048 0.000 2.732 466 T HA -0.105 4.244 4.350 -0.001 0.000 0.261 466 T C 0.425 175.139 174.700 0.024 0.000 1.040 466 T CA 1.273 63.407 62.100 0.058 0.000 1.145 466 T CB -0.316 68.612 68.868 0.098 0.000 0.866 466 T HN 0.799 nan 8.240 nan 0.000 0.427 467 D N -0.734 119.685 120.400 0.031 0.000 2.671 467 D HA 0.300 4.940 4.640 -0.001 0.000 0.273 467 D C 1.071 177.397 176.300 0.044 0.000 1.264 467 D CA -0.765 53.232 54.000 -0.005 0.000 0.788 467 D CB 0.683 41.464 40.800 -0.032 0.000 1.324 467 D HN 0.167 nan 8.370 nan 0.000 0.424 468 M N -0.126 119.492 119.600 0.031 0.000 2.460 468 M HA 0.012 4.492 4.480 -0.001 0.000 0.263 468 M C 0.114 176.608 176.300 0.323 0.000 1.071 468 M CA 1.130 56.529 55.300 0.164 0.000 1.096 468 M CB -0.293 32.377 32.600 0.116 0.000 1.408 468 M HN 0.264 nan 8.290 nan 0.000 0.463 469 V N 0.682 120.712 119.914 0.194 0.000 2.521 469 V HA -0.082 4.038 4.120 -0.001 0.000 0.239 469 V C 2.342 178.597 176.094 0.268 0.000 1.053 469 V CA 1.625 64.079 62.300 0.258 0.000 1.073 469 V CB -0.474 31.451 31.823 0.170 0.000 0.746 469 V HN 0.487 nan 8.190 nan 0.000 0.476 470 E N 0.212 120.521 120.200 0.181 0.000 2.097 470 E HA -0.317 4.033 4.350 -0.001 0.000 0.196 470 E C 2.041 178.726 176.600 0.141 0.000 1.000 470 E CA 2.048 58.538 56.400 0.150 0.000 0.804 470 E CB -0.271 29.498 29.700 0.115 0.000 0.740 470 E HN 0.494 nan 8.360 nan 0.000 0.454 471 F N -0.113 119.823 119.950 -0.024 0.000 2.154 471 F HA -0.210 4.317 4.527 -0.001 0.000 0.301 471 F C 1.488 177.153 175.800 -0.226 0.000 1.087 471 F CA 1.599 59.492 58.000 -0.178 0.000 1.274 471 F CB -0.213 38.578 39.000 -0.348 0.000 1.009 471 F HN 0.051 nan 8.300 nan 0.000 0.485 472 F N -0.208 119.783 119.950 0.069 0.000 2.387 472 F HA 0.207 4.733 4.527 -0.001 0.000 0.294 472 F C 2.480 178.272 175.800 -0.015 0.000 1.093 472 F CA 0.773 58.760 58.000 -0.021 0.000 1.420 472 F CB -1.310 37.759 39.000 0.114 0.000 1.086 472 F HN 0.000 nan 8.300 nan 0.000 0.531 473 A N 0.104 123.052 122.820 0.212 0.000 1.978 473 A HA -0.198 4.121 4.320 -0.001 0.000 0.220 473 A C 1.988 179.625 177.584 0.088 0.000 1.170 473 A CA 1.733 53.864 52.037 0.158 0.000 0.636 473 A CB -0.710 18.392 19.000 0.170 0.000 0.810 473 A HN 0.440 nan 8.150 nan 0.000 0.448 474 E N -0.659 119.554 120.200 0.020 0.000 2.427 474 E HA -0.052 4.298 4.350 -0.001 0.000 0.196 474 E C 1.111 177.684 176.600 -0.046 0.000 1.028 474 E CA 0.686 57.076 56.400 -0.015 0.000 0.864 474 E CB 0.037 29.705 29.700 -0.054 0.000 0.813 474 E HN 0.569 nan 8.360 nan 0.000 0.514 475 K N 0.059 120.419 120.400 -0.067 0.000 2.374 475 K HA 0.232 4.552 4.320 -0.001 0.000 0.202 475 K C -0.041 176.564 176.600 0.009 0.000 1.040 475 K CA -0.048 56.198 56.287 -0.067 0.000 1.085 475 K CB 0.886 33.287 32.500 -0.166 0.000 0.873 475 K HN -0.015 nan 8.250 nan 0.000 0.539 476 L N 1.319 122.567 121.223 0.043 0.000 2.325 476 L HA 0.298 4.637 4.340 -0.001 0.000 0.278 476 L C -0.196 176.697 176.870 0.039 0.000 1.023 476 L CA -0.852 54.017 54.840 0.050 0.000 0.811 476 L CB 1.603 43.704 42.059 0.070 0.000 1.249 476 L HN 0.079 nan 8.230 nan 0.000 0.431 477 N N 0.738 119.450 118.700 0.020 0.000 2.503 477 N HA 0.322 5.061 4.740 -0.001 0.000 0.267 477 N C 0.833 176.298 175.510 -0.075 0.000 1.214 477 N CA 0.646 53.698 53.050 0.003 0.000 0.959 477 N CB 0.920 39.411 38.487 0.006 0.000 1.142 477 N HN 0.910 nan 8.380 nan 0.000 0.455 478 G N 0.715 109.393 108.800 -0.204 0.000 2.176 478 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.253 478 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.253 478 G C -0.074 174.430 174.900 -0.661 0.000 0.979 478 G CA -0.196 44.578 45.100 -0.543 0.000 0.641 478 G HN 0.492 nan 8.290 nan 0.000 0.530 479 I N 0.863 121.323 120.570 -0.183 0.000 2.498 479 I HA 0.686 4.856 4.170 -0.001 0.000 0.290 479 I C 0.319 176.656 176.117 0.366 0.000 1.032 479 I CA -0.687 60.680 61.300 0.112 0.000 1.073 479 I CB 2.040 40.112 38.000 0.120 0.000 1.251 479 I HN 0.260 nan 8.210 nan 0.000 0.426 480 A N 3.857 126.973 122.820 0.492 0.000 2.330 480 A HA 0.914 5.233 4.320 -0.001 0.000 0.329 480 A C -0.176 177.526 177.584 0.197 0.000 1.135 480 A CA -0.492 51.737 52.037 0.321 0.000 0.817 480 A CB 1.467 20.593 19.000 0.209 0.000 1.269 480 A HN 0.722 nan 8.150 nan 0.000 0.469 481 T N -1.231 113.394 114.554 0.118 0.000 2.908 481 T HA 0.730 5.080 4.350 -0.001 0.000 0.290 481 T C 0.079 174.796 174.700 0.028 0.000 1.034 481 T CA -0.001 62.140 62.100 0.068 0.000 1.010 481 T CB 1.309 70.203 68.868 0.044 0.000 1.068 481 T HN 1.186 nan 8.240 nan 0.000 0.481 482 T N -0.062 114.484 114.554 -0.014 0.000 2.936 482 T HA 0.424 4.773 4.350 -0.001 0.000 0.282 482 T C 0.920 175.565 174.700 -0.092 0.000 1.003 482 T CA -0.776 61.306 62.100 -0.030 0.000 1.005 482 T CB 1.590 70.454 68.868 -0.006 0.000 1.097 482 T HN 0.671 nan 8.240 nan 0.000 0.532 483 Q N 0.188 119.952 119.800 -0.060 0.000 2.165 483 Q HA 0.150 4.490 4.340 -0.001 0.000 0.197 483 Q C 0.783 176.726 176.000 -0.095 0.000 0.952 483 Q CA 0.623 56.397 55.803 -0.049 0.000 0.848 483 Q CB 0.197 28.942 28.738 0.012 0.000 0.931 483 Q HN 0.633 nan 8.270 nan 0.000 0.470 484 N N -0.354 118.293 118.700 -0.088 0.000 2.305 484 N HA 0.105 4.844 4.740 -0.001 0.000 0.248 484 N C -0.100 175.316 175.510 -0.157 0.000 1.290 484 N CA 0.129 53.158 53.050 -0.035 0.000 0.873 484 N CB 1.270 39.863 38.487 0.177 0.000 1.261 484 N HN 0.062 nan 8.380 nan 0.000 0.504 485 G N 0.574 109.181 108.800 -0.320 0.000 3.284 485 G HA2 0.090 4.049 3.960 -0.001 0.000 0.251 485 G HA3 0.090 4.049 3.960 -0.001 0.000 0.251 485 G C -0.435 174.225 174.900 -0.401 0.000 0.913 485 G CA -0.460 44.468 45.100 -0.287 0.000 1.947 485 G HN 0.168 nan 8.290 nan 0.000 0.635 486 W N 0.178 121.405 121.300 -0.122 0.000 2.218 486 W HA 0.473 5.133 4.660 -0.001 0.000 0.326 486 W C -0.027 176.368 176.519 -0.208 0.000 1.276 486 W CA -0.595 56.663 57.345 -0.146 0.000 1.210 486 W CB 1.180 30.597 29.460 -0.072 0.000 1.143 486 W HN -0.041 nan 8.180 nan 0.000 0.563 487 V N 4.661 124.549 119.914 -0.043 0.000 2.709 487 V HA 0.234 4.354 4.120 -0.001 0.000 0.308 487 V C -0.549 175.603 176.094 0.096 0.000 1.062 487 V CA -1.321 60.922 62.300 -0.095 0.000 0.901 487 V CB 1.632 33.272 31.823 -0.305 0.000 1.003 487 V HN 0.339 nan 8.190 nan 0.000 0.425 488 L N 3.422 124.751 121.223 0.177 0.000 2.462 488 L HA 0.273 4.613 4.340 -0.001 0.000 0.272 488 L C 1.358 178.538 176.870 0.515 0.000 1.166 488 L CA 1.203 56.203 54.840 0.265 0.000 0.880 488 L CB 1.456 43.596 42.059 0.134 0.000 1.142 488 L HN 0.819 nan 8.230 nan 0.000 0.473 489 S N 4.232 120.228 115.700 0.494 0.000 2.427 489 S HA 0.200 4.669 4.470 -0.001 0.000 0.224 489 S C -0.444 174.443 174.600 0.478 0.000 1.047 489 S CA 0.679 59.222 58.200 0.572 0.000 0.953 489 S CB 0.013 63.479 63.200 0.443 0.000 0.824 489 S HN 0.755 nan 8.310 nan 0.000 0.502 490 Y N -3.913 116.487 120.300 0.167 0.000 2.765 490 Y HA 0.501 5.051 4.550 -0.001 0.000 0.350 490 Y C 0.593 176.452 175.900 -0.069 0.000 1.196 490 Y CA -1.088 57.007 58.100 -0.007 0.000 1.119 490 Y CB 0.121 38.522 38.460 -0.098 0.000 1.368 490 Y HN 0.261 nan 8.280 nan 0.000 0.463 491 G N 1.824 110.445 108.800 -0.298 0.000 2.699 491 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.347 491 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.347 491 G C 1.019 175.855 174.900 -0.106 0.000 1.225 491 G CA 2.631 47.236 45.100 -0.826 0.000 0.973 491 G HN 2.114 nan 8.290 nan 0.000 0.551 492 S N -0.075 115.616 115.700 -0.014 0.000 2.578 492 S HA 0.609 5.079 4.470 -0.001 0.000 0.231 492 S C 1.029 175.586 174.600 -0.073 0.000 0.994 492 S CA 1.219 59.426 58.200 0.012 0.000 0.956 492 S CB 0.380 63.544 63.200 -0.059 0.000 0.870 492 S HN 1.622 nan 8.310 nan 0.000 0.494 493 R N 0.578 120.928 120.500 -0.250 0.000 2.202 493 R HA 0.708 5.048 4.340 -0.001 0.000 0.334 493 R C -0.234 176.023 176.300 -0.072 0.000 1.036 493 R CA -0.409 55.529 56.100 -0.271 0.000 0.878 493 R CB -0.955 28.960 30.300 -0.641 0.000 1.067 493 R HN 0.535 nan 8.270 nan 0.000 0.457 494 C N 1.462 120.806 119.300 0.073 0.000 2.595 494 C HA 0.981 5.440 4.460 -0.001 0.000 0.338 494 C C -0.540 174.790 174.990 0.566 0.000 1.219 494 C CA -1.014 58.181 59.018 0.296 0.000 1.811 494 C CB 1.047 28.908 27.740 0.202 0.000 2.313 494 C HN 0.972 nan 8.230 nan 0.000 0.499 495 Y N -1.652 118.920 120.300 0.453 0.000 2.597 495 Y HA 0.723 5.272 4.550 -0.001 0.000 0.340 495 Y C -0.673 175.334 175.900 0.179 0.000 1.097 495 Y CA -1.244 57.079 58.100 0.371 0.000 1.037 495 Y CB 0.933 39.536 38.460 0.237 0.000 1.305 495 Y HN 0.511 nan 8.280 nan 0.000 0.463 496 R N 2.857 123.251 120.500 -0.177 0.000 2.215 496 R HA 0.406 4.745 4.340 -0.001 0.000 0.337 496 R C -2.828 173.400 176.300 -0.120 0.000 1.010 496 R CA -1.803 54.054 56.100 -0.404 0.000 0.871 496 R CB 0.937 30.852 30.300 -0.641 0.000 1.134 496 R HN 0.407 nan 8.270 nan 0.000 0.477 497 P HA 0.112 nan 4.420 nan 0.000 0.271 497 P C -2.416 174.925 177.300 0.068 0.000 1.216 497 P CA -1.338 61.775 63.100 0.022 0.000 0.771 497 P CB 0.378 31.884 31.700 -0.323 0.000 0.864 498 P HA 0.178 nan 4.420 nan 0.000 0.271 498 P C -0.420 177.029 177.300 0.247 0.000 1.233 498 P CA 0.281 63.487 63.100 0.178 0.000 0.789 498 P CB 0.437 32.255 31.700 0.197 0.000 0.951 499 I N 1.936 122.679 120.570 0.287 0.000 2.382 499 I HA 0.312 4.482 4.170 -0.001 0.000 0.285 499 I C 0.050 176.425 176.117 0.429 0.000 1.007 499 I CA -0.542 60.972 61.300 0.357 0.000 1.142 499 I CB 0.830 38.992 38.000 0.270 0.000 1.289 499 I HN 0.115 nan 8.210 nan 0.000 0.453 500 I N 6.922 127.748 120.570 0.426 0.000 2.311 500 I HA -0.001 4.168 4.170 -0.001 0.000 0.297 500 I C 0.640 177.017 176.117 0.433 0.000 1.131 500 I CA -0.045 61.453 61.300 0.330 0.000 1.289 500 I CB -0.083 38.087 38.000 0.282 0.000 1.446 500 I HN 0.640 nan 8.210 nan 0.000 0.524 501 Y N 3.977 124.486 120.300 0.348 0.000 2.458 501 Y HA 0.659 5.208 4.550 -0.001 0.000 0.254 501 Y C 0.849 176.841 175.900 0.154 0.000 1.120 501 Y CA -0.339 57.993 58.100 0.386 0.000 1.282 501 Y CB 0.085 38.786 38.460 0.403 0.000 1.109 501 Y HN 0.354 nan 8.280 nan 0.000 0.526 502 G N -0.232 108.355 108.800 -0.356 0.000 2.749 502 G HA2 0.377 4.337 3.960 -0.001 0.000 0.300 502 G HA3 0.377 4.337 3.960 -0.001 0.000 0.300 502 G C -1.263 173.517 174.900 -0.199 0.000 1.352 502 G CA -0.843 44.118 45.100 -0.232 0.000 0.789 502 G HN -0.044 nan 8.290 nan 0.000 0.509 503 T N 0.711 115.192 114.554 -0.121 0.000 2.866 503 T HA 0.289 4.638 4.350 -0.001 0.000 0.293 503 T C 0.466 175.111 174.700 -0.091 0.000 1.005 503 T CA 0.065 62.116 62.100 -0.081 0.000 1.162 503 T CB 0.804 69.644 68.868 -0.047 0.000 0.968 503 T HN 0.428 nan 8.240 nan 0.000 0.530 504 V N 5.051 124.928 119.914 -0.061 0.000 2.465 504 V HA 0.619 4.738 4.120 -0.001 0.000 0.279 504 V C 0.747 176.831 176.094 -0.017 0.000 1.045 504 V CA -0.511 61.764 62.300 -0.042 0.000 0.938 504 V CB 1.032 32.846 31.823 -0.015 0.000 0.986 504 V HN 1.181 nan 8.190 nan 0.000 0.467 505 T N 2.239 116.787 114.554 -0.010 0.000 2.843 505 T HA 0.521 4.871 4.350 -0.001 0.000 0.302 505 T C -0.751 173.957 174.700 0.012 0.000 1.232 505 T CA -0.978 61.123 62.100 0.002 0.000 1.009 505 T CB 2.048 70.916 68.868 -0.000 0.000 1.254 505 T HN 0.550 nan 8.240 nan 0.000 0.504 506 R N 2.125 122.635 120.500 0.017 0.000 2.346 506 R HA 0.335 4.675 4.340 -0.001 0.000 0.309 506 R C -1.577 174.735 176.300 0.021 0.000 1.119 506 R CA -2.164 53.951 56.100 0.025 0.000 1.112 506 R CB 0.673 30.992 30.300 0.033 0.000 1.132 506 R HN 0.580 nan 8.270 nan 0.000 0.538 507 P HA -0.114 nan 4.420 nan 0.000 0.213 507 P C 0.220 177.531 177.300 0.018 0.000 1.170 507 P CA 1.329 64.440 63.100 0.017 0.000 0.898 507 P CB 0.284 31.995 31.700 0.018 0.000 0.787 508 E N 0.530 120.742 120.200 0.019 0.000 2.299 508 E HA 0.494 4.844 4.350 -0.001 0.000 0.265 508 E C -2.761 173.856 176.600 0.028 0.000 0.911 508 E CA -2.646 53.766 56.400 0.020 0.000 0.789 508 E CB 0.060 29.769 29.700 0.015 0.000 1.246 508 E HN 0.104 nan 8.360 nan 0.000 0.427 509 P HA 0.083 nan 4.420 nan 0.000 0.265 509 P C 0.127 177.459 177.300 0.052 0.000 1.187 509 P CA 0.340 63.469 63.100 0.047 0.000 0.766 509 P CB 0.643 32.369 31.700 0.043 0.000 0.820 510 M N 1.756 121.409 119.600 0.089 0.000 2.657 510 M HA -0.004 4.476 4.480 -0.001 0.000 0.262 510 M C 1.514 177.897 176.300 0.138 0.000 1.213 510 M CA 1.465 56.814 55.300 0.081 0.000 1.182 510 M CB -0.155 32.542 32.600 0.162 0.000 1.303 510 M HN 0.414 nan 8.290 nan 0.000 0.501 511 T N -2.605 112.056 114.554 0.179 0.000 3.058 511 T HA 0.325 4.675 4.350 -0.001 0.000 0.278 511 T C 1.443 176.189 174.700 0.077 0.000 0.974 511 T CA -0.283 61.922 62.100 0.176 0.000 0.893 511 T CB -0.068 68.932 68.868 0.221 0.000 1.138 511 T HN 0.150 nan 8.240 nan 0.000 0.529 512 L N 1.060 122.326 121.223 0.073 0.000 2.012 512 L HA -0.076 4.263 4.340 -0.001 0.000 0.210 512 L C 3.466 180.366 176.870 0.050 0.000 1.073 512 L CA 2.215 57.085 54.840 0.050 0.000 0.748 512 L CB -0.822 41.267 42.059 0.049 0.000 0.891 512 L HN 0.527 nan 8.230 nan 0.000 0.431 513 K N 0.258 120.693 120.400 0.059 0.000 2.044 513 K HA -0.267 4.052 4.320 -0.001 0.000 0.210 513 K C 1.851 178.502 176.600 0.085 0.000 1.049 513 K CA 2.183 58.510 56.287 0.066 0.000 0.927 513 K CB -0.917 31.617 32.500 0.056 0.000 0.713 513 K HN 0.394 nan 8.250 nan 0.000 0.443 514 E N 0.036 120.271 120.200 0.058 0.000 2.046 514 E HA 0.009 4.359 4.350 -0.001 0.000 0.190 514 E C 2.110 178.716 176.600 0.010 0.000 0.982 514 E CA 1.128 57.562 56.400 0.056 0.000 0.800 514 E CB 0.007 29.701 29.700 -0.010 0.000 0.756 514 E HN 0.508 nan 8.360 nan 0.000 0.449 515 I N 0.878 121.385 120.570 -0.105 0.000 2.252 515 I HA -0.169 4.000 4.170 -0.001 0.000 0.245 515 I C 1.999 178.127 176.117 0.018 0.000 1.102 515 I CA 1.275 62.518 61.300 -0.095 0.000 1.385 515 I CB -1.585 36.353 38.000 -0.104 0.000 1.064 515 I HN 0.106 nan 8.210 nan 0.000 0.414 516 T N 0.937 115.521 114.554 0.049 0.000 2.622 516 T HA -0.265 4.084 4.350 -0.001 0.000 0.266 516 T C 1.906 176.667 174.700 0.103 0.000 1.047 516 T CA 1.912 64.054 62.100 0.070 0.000 1.159 516 T CB -0.672 68.242 68.868 0.078 0.000 0.863 516 T HN 0.323 nan 8.240 nan 0.000 0.422 517 Y N 2.205 122.523 120.300 0.029 0.000 2.114 517 Y HA -0.185 4.365 4.550 -0.001 0.000 0.282 517 Y C 2.512 178.446 175.900 0.057 0.000 1.165 517 Y CA 1.154 59.281 58.100 0.045 0.000 1.148 517 Y CB -0.894 37.600 38.460 0.056 0.000 0.972 517 Y HN 0.192 nan 8.280 nan 0.000 0.504 518 A N -0.161 122.694 122.820 0.058 0.000 1.908 518 A HA -0.299 4.020 4.320 -0.001 0.000 0.218 518 A C 2.160 179.712 177.584 -0.053 0.000 1.181 518 A CA 2.059 54.096 52.037 0.001 0.000 0.627 518 A CB -0.933 18.145 19.000 0.129 0.000 0.818 518 A HN 0.563 nan 8.150 nan 0.000 0.445 519 Q N 0.608 120.396 119.800 -0.020 0.000 2.224 519 Q HA -0.095 4.244 4.340 -0.001 0.000 0.203 519 Q C 2.021 177.994 176.000 -0.045 0.000 0.970 519 Q CA 1.894 57.688 55.803 -0.015 0.000 0.865 519 Q CB -0.499 28.242 28.738 0.006 0.000 0.922 519 Q HN 0.733 nan 8.270 nan 0.000 0.445 520 S N -1.347 114.302 115.700 -0.085 0.000 2.607 520 S HA 0.037 4.507 4.470 -0.001 0.000 0.224 520 S C 1.266 175.786 174.600 -0.133 0.000 0.969 520 S CA 0.224 58.370 58.200 -0.090 0.000 0.927 520 S CB -0.126 63.029 63.200 -0.074 0.000 0.772 520 S HN 0.456 nan 8.310 nan 0.000 0.533 521 L N 0.564 121.686 121.223 -0.167 0.000 2.640 521 L HA 0.362 4.701 4.340 -0.001 0.000 0.230 521 L C 0.896 177.724 176.870 -0.070 0.000 1.123 521 L CA 0.078 54.827 54.840 -0.152 0.000 0.900 521 L CB 0.399 42.325 42.059 -0.220 0.000 1.146 521 L HN 0.376 nan 8.230 nan 0.000 0.484 522 T N -1.843 112.685 114.554 -0.045 0.000 2.885 522 T HA 0.396 4.745 4.350 -0.001 0.000 0.322 522 T C 0.382 175.080 174.700 -0.004 0.000 1.387 522 T CA 0.368 62.460 62.100 -0.014 0.000 1.041 522 T CB 1.973 70.843 68.868 0.004 0.000 1.287 522 T HN 0.059 nan 8.240 nan 0.000 0.491 523 E N 0.929 121.131 120.200 0.004 0.000 2.385 523 E HA 0.358 4.707 4.350 -0.001 0.000 0.194 523 E C 0.995 177.607 176.600 0.019 0.000 1.013 523 E CA 1.007 57.412 56.400 0.009 0.000 0.866 523 E CB -0.567 29.138 29.700 0.007 0.000 0.832 523 E HN 1.067 nan 8.360 nan 0.000 0.500 524 K N 1.887 122.302 120.400 0.025 0.000 2.295 524 K HA 0.455 4.775 4.320 -0.001 0.000 0.270 524 K C -2.623 174.005 176.600 0.046 0.000 1.011 524 K CA -1.512 54.798 56.287 0.038 0.000 0.953 524 K CB -0.419 32.109 32.500 0.047 0.000 0.956 524 K HN 0.168 nan 8.250 nan 0.000 0.477 525 P HA 0.222 nan 4.420 nan 0.000 0.271 525 P C -0.880 176.458 177.300 0.064 0.000 1.220 525 P CA -0.454 62.684 63.100 0.063 0.000 0.768 525 P CB 0.882 32.634 31.700 0.088 0.000 0.848 526 V N 4.849 124.792 119.914 0.049 0.000 2.435 526 V HA 0.247 4.366 4.120 -0.001 0.000 0.290 526 V C 0.577 176.685 176.094 0.023 0.000 1.030 526 V CA -0.715 61.615 62.300 0.050 0.000 0.881 526 V CB 1.387 33.243 31.823 0.054 0.000 0.983 526 V HN 0.419 nan 8.190 nan 0.000 0.445 527 K N 2.900 123.303 120.400 0.005 0.000 2.322 527 K HA 0.409 4.729 4.320 -0.001 0.000 0.283 527 K C 0.684 177.275 176.600 -0.016 0.000 1.042 527 K CA -0.020 56.240 56.287 -0.044 0.000 0.958 527 K CB 0.875 33.313 32.500 -0.102 0.000 0.984 527 K HN 0.922 nan 8.250 nan 0.000 0.473 528 G N 1.854 110.641 108.800 -0.020 0.000 2.491 528 G HA2 0.290 4.250 3.960 -0.001 0.000 0.242 528 G HA3 0.290 4.250 3.960 -0.001 0.000 0.242 528 G C -0.662 174.247 174.900 0.014 0.000 1.266 528 G CA -0.355 44.742 45.100 -0.004 0.000 0.844 528 G HN 0.456 nan 8.290 nan 0.000 0.571 529 M N 2.160 121.797 119.600 0.061 0.000 2.060 529 M HA 0.547 5.027 4.480 -0.001 0.000 0.275 529 M C -1.242 175.180 176.300 0.204 0.000 0.919 529 M CA -0.378 54.985 55.300 0.105 0.000 0.970 529 M CB 0.921 33.606 32.600 0.141 0.000 1.670 529 M HN 0.341 nan 8.290 nan 0.000 0.440 530 L N 2.009 123.305 121.223 0.120 0.000 2.333 530 L HA 0.752 5.092 4.340 -0.001 0.000 0.263 530 L C -0.238 176.601 176.870 -0.052 0.000 1.014 530 L CA -0.941 53.903 54.840 0.007 0.000 0.820 530 L CB 2.712 44.711 42.059 -0.101 0.000 1.352 530 L HN 0.443 nan 8.230 nan 0.000 0.421 531 T N 0.557 114.925 114.554 -0.309 0.000 2.794 531 T HA 0.435 4.785 4.350 -0.001 0.000 0.280 531 T C 0.360 175.009 174.700 -0.084 0.000 0.987 531 T CA -0.433 61.612 62.100 -0.091 0.000 0.993 531 T CB 1.608 70.492 68.868 0.026 0.000 0.939 531 T HN 0.739 nan 8.240 nan 0.000 0.449 532 G N 3.373 112.226 108.800 0.089 0.000 2.667 532 G HA2 0.271 4.230 3.960 -0.001 0.000 0.250 532 G HA3 0.271 4.230 3.960 -0.001 0.000 0.250 532 G C -1.181 173.810 174.900 0.152 0.000 1.212 532 G CA -1.135 44.055 45.100 0.151 0.000 0.874 532 G HN 0.410 nan 8.290 nan 0.000 0.561 533 P HA -0.078 nan 4.420 nan 0.000 0.217 533 P C 1.910 179.354 177.300 0.240 0.000 1.151 533 P CA 0.617 63.828 63.100 0.185 0.000 0.828 533 P CB 0.138 31.964 31.700 0.210 0.000 0.788 534 V N 0.323 120.418 119.914 0.302 0.000 2.427 534 V HA -0.156 3.964 4.120 -0.001 0.000 0.248 534 V C 2.629 178.883 176.094 0.267 0.000 1.051 534 V CA 2.387 64.867 62.300 0.301 0.000 1.048 534 V CB -1.883 30.105 31.823 0.274 0.000 0.666 534 V HN 0.168 nan 8.190 nan 0.000 0.456 535 T N 0.191 114.918 114.554 0.289 0.000 2.777 535 T HA -0.038 4.311 4.350 -0.001 0.000 0.266 535 T C 1.854 176.781 174.700 0.379 0.000 1.040 535 T CA 1.413 63.719 62.100 0.344 0.000 1.141 535 T CB -0.216 68.855 68.868 0.339 0.000 0.868 535 T HN 0.315 nan 8.240 nan 0.000 0.444 536 I N 0.774 121.516 120.570 0.287 0.000 2.226 536 I HA -0.194 3.976 4.170 -0.001 0.000 0.245 536 I C 2.482 178.764 176.117 0.274 0.000 1.100 536 I CA 1.394 62.857 61.300 0.271 0.000 1.374 536 I CB -0.306 37.809 38.000 0.193 0.000 1.057 536 I HN 0.271 nan 8.210 nan 0.000 0.413 537 M N -0.655 119.078 119.600 0.222 0.000 2.175 537 M HA -0.179 4.301 4.480 -0.001 0.000 0.264 537 M C 2.510 178.970 176.300 0.267 0.000 1.063 537 M CA 1.397 56.812 55.300 0.192 0.000 1.119 537 M CB -0.323 32.295 32.600 0.030 0.000 1.377 537 M HN 0.153 nan 8.290 nan 0.000 0.415 538 S N -0.864 114.957 115.700 0.202 0.000 2.423 538 S HA -0.127 4.342 4.470 -0.001 0.000 0.231 538 S C 1.027 175.542 174.600 -0.143 0.000 1.014 538 S CA 0.936 59.150 58.200 0.023 0.000 0.965 538 S CB -0.126 63.032 63.200 -0.069 0.000 0.785 538 S HN 0.611 nan 8.310 nan 0.000 0.495 539 W N 1.586 122.962 121.300 0.126 0.000 3.239 539 W HA 0.479 5.139 4.660 -0.001 0.000 0.368 539 W C 0.412 176.987 176.519 0.093 0.000 1.154 539 W CA -0.524 56.883 57.345 0.104 0.000 1.860 539 W CB 0.274 29.790 29.460 0.093 0.000 1.094 539 W HN 0.070 nan 8.180 nan 0.000 0.643 540 S N -0.884 114.951 115.700 0.225 0.000 2.634 540 S HA 0.490 4.960 4.470 -0.001 0.000 0.296 540 S C -1.181 173.426 174.600 0.011 0.000 1.104 540 S CA -0.667 57.614 58.200 0.134 0.000 0.920 540 S CB 1.323 64.686 63.200 0.272 0.000 1.111 540 S HN -0.147 nan 8.310 nan 0.000 0.493 541 Y N 1.228 121.629 120.300 0.168 0.000 2.307 541 Y HA 0.552 5.101 4.550 -0.001 0.000 0.324 541 Y C 0.162 176.216 175.900 0.257 0.000 1.238 541 Y CA -0.377 57.748 58.100 0.043 0.000 1.280 541 Y CB 0.460 38.858 38.460 -0.104 0.000 1.248 541 Y HN 0.729 nan 8.280 nan 0.000 0.508 542 Y N -2.243 118.347 120.300 0.484 0.000 2.705 542 Y HA 0.696 5.245 4.550 -0.001 0.000 0.332 542 Y C -0.923 175.337 175.900 0.600 0.000 1.221 542 Y CA -2.261 56.126 58.100 0.478 0.000 1.059 542 Y CB 0.884 39.489 38.460 0.242 0.000 1.298 542 Y HN 0.370 nan 8.280 nan 0.000 0.459 543 R N 0.790 121.596 120.500 0.510 0.000 2.539 543 R HA 0.217 4.556 4.340 -0.001 0.000 0.275 543 R C -0.043 176.291 176.300 0.056 0.000 1.077 543 R CA -0.225 55.861 56.100 -0.023 0.000 1.097 543 R CB 0.830 30.944 30.300 -0.310 0.000 1.018 543 R HN 0.890 nan 8.270 nan 0.000 0.483 544 E N 0.719 120.841 120.200 -0.129 0.000 2.400 544 E HA -0.091 4.258 4.350 -0.001 0.000 0.195 544 E C 0.249 176.816 176.600 -0.055 0.000 1.012 544 E CA 0.466 56.858 56.400 -0.014 0.000 0.875 544 E CB 0.337 30.041 29.700 0.007 0.000 0.859 544 E HN 0.588 nan 8.360 nan 0.000 0.498 545 D N 0.342 120.662 120.400 -0.133 0.000 2.342 545 D HA 0.038 4.677 4.640 -0.001 0.000 0.221 545 D C 0.419 176.663 176.300 -0.094 0.000 1.101 545 D CA 0.076 54.009 54.000 -0.110 0.000 0.837 545 D CB 0.486 41.201 40.800 -0.143 0.000 0.938 545 D HN 0.122 nan 8.370 nan 0.000 0.508 546 I N 0.735 121.254 120.570 -0.084 0.000 2.608 546 I HA 0.272 4.441 4.170 -0.001 0.000 0.295 546 I C -2.481 173.574 176.117 -0.103 0.000 1.049 546 I CA -2.643 58.602 61.300 -0.091 0.000 1.063 546 I CB 2.730 40.673 38.000 -0.095 0.000 1.248 546 I HN -0.337 nan 8.210 nan 0.000 0.424 547 P HA 0.128 nan 4.420 nan 0.000 0.268 547 P C 0.053 177.146 177.300 -0.345 0.000 1.204 547 P CA -0.038 62.939 63.100 -0.206 0.000 0.768 547 P CB 0.577 32.150 31.700 -0.212 0.000 0.842 548 E N 2.261 122.197 120.200 -0.439 0.000 2.130 548 E HA -0.279 4.071 4.350 -0.001 0.000 0.196 548 E C 1.882 177.816 176.600 -1.109 0.000 0.998 548 E CA 1.254 57.211 56.400 -0.737 0.000 0.806 548 E CB -0.106 29.132 29.700 -0.769 0.000 0.738 548 E HN 0.506 nan 8.360 nan 0.000 0.459 549 R N 1.053 120.836 120.500 -1.196 0.000 2.120 549 R HA -0.117 4.223 4.340 -0.001 0.000 0.234 549 R C 1.781 177.475 176.300 -1.010 0.000 1.123 549 R CA 1.464 56.825 56.100 -1.231 0.000 0.975 549 R CB -0.297 29.435 30.300 -0.947 0.000 0.866 549 R HN 0.154 nan 8.270 nan 0.000 0.446 550 E N 1.014 120.836 120.200 -0.630 0.000 2.077 550 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 550 E C 2.079 178.529 176.600 -0.250 0.000 0.989 550 E CA 1.469 57.656 56.400 -0.356 0.000 0.800 550 E CB -0.125 29.450 29.700 -0.208 0.000 0.746 550 E HN 0.411 nan 8.360 nan 0.000 0.452 551 I N 1.077 121.462 120.570 -0.308 0.000 2.226 551 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 551 I C 2.576 178.590 176.117 -0.172 0.000 1.100 551 I CA 0.973 62.138 61.300 -0.226 0.000 1.374 551 I CB -0.327 37.492 38.000 -0.303 0.000 1.057 551 I HN 0.074 nan 8.210 nan 0.000 0.413 552 A N 0.437 123.096 122.820 -0.269 0.000 1.902 552 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 552 A C 2.213 179.914 177.584 0.195 0.000 1.181 552 A CA 1.571 53.588 52.037 -0.034 0.000 0.623 552 A CB -0.904 18.102 19.000 0.010 0.000 0.818 552 A HN 0.371 nan 8.150 nan 0.000 0.443 553 Y N 0.210 120.521 120.300 0.018 0.000 2.181 553 Y HA -0.196 4.353 4.550 -0.001 0.000 0.288 553 Y C 2.652 178.567 175.900 0.024 0.000 1.146 553 Y CA 1.034 59.173 58.100 0.065 0.000 1.164 553 Y CB -1.262 37.251 38.460 0.089 0.000 0.982 553 Y HN 0.486 nan 8.280 nan 0.000 0.515 554 Q N -0.157 119.734 119.800 0.151 0.000 2.061 554 Q HA -0.185 4.154 4.340 -0.001 0.000 0.204 554 Q C 2.343 178.375 176.000 0.055 0.000 0.984 554 Q CA 1.989 57.833 55.803 0.069 0.000 0.846 554 Q CB -0.385 28.363 28.738 0.017 0.000 0.902 554 Q HN 0.455 nan 8.270 nan 0.000 0.421 555 I N 0.472 121.076 120.570 0.056 0.000 2.226 555 I HA -0.278 3.891 4.170 -0.001 0.000 0.245 555 I C 2.441 178.588 176.117 0.050 0.000 1.100 555 I CA 0.901 62.231 61.300 0.050 0.000 1.374 555 I CB -0.447 37.589 38.000 0.059 0.000 1.057 555 I HN 0.178 nan 8.210 nan 0.000 0.413 556 A N 1.059 123.932 122.820 0.089 0.000 1.883 556 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 556 A C 2.316 179.905 177.584 0.008 0.000 1.186 556 A CA 1.546 53.620 52.037 0.063 0.000 0.624 556 A CB -0.913 18.164 19.000 0.129 0.000 0.822 556 A HN 0.386 nan 8.150 nan 0.000 0.444 557 L N -0.929 120.303 121.223 0.016 0.000 2.046 557 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 557 L C 3.122 179.983 176.870 -0.015 0.000 1.077 557 L CA 1.055 55.884 54.840 -0.017 0.000 0.747 557 L CB -0.610 41.442 42.059 -0.011 0.000 0.896 557 L HN 0.456 nan 8.230 nan 0.000 0.432 558 A N 0.293 123.113 122.820 0.000 0.000 1.940 558 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 558 A C 2.193 179.772 177.584 -0.008 0.000 1.176 558 A CA 1.619 53.657 52.037 0.002 0.000 0.631 558 A CB -0.649 18.359 19.000 0.014 0.000 0.814 558 A HN 0.374 nan 8.150 nan 0.000 0.446 559 I N -0.298 120.256 120.570 -0.027 0.000 2.315 559 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 559 I C 2.447 178.532 176.117 -0.054 0.000 1.117 559 I CA 1.279 62.543 61.300 -0.060 0.000 1.404 559 I CB -0.382 37.560 38.000 -0.096 0.000 1.071 559 I HN 0.486 nan 8.210 nan 0.000 0.419 560 N N 0.797 119.464 118.700 -0.055 0.000 2.223 560 N HA -0.205 4.535 4.740 -0.001 0.000 0.185 560 N C 1.665 177.153 175.510 -0.037 0.000 1.016 560 N CA 1.000 54.014 53.050 -0.059 0.000 0.863 560 N CB 0.158 38.601 38.487 -0.073 0.000 0.983 560 N HN 0.319 nan 8.380 nan 0.000 0.429 561 E N 0.828 121.014 120.200 -0.024 0.000 2.118 561 E HA -0.223 4.126 4.350 -0.001 0.000 0.195 561 E C 1.644 178.245 176.600 0.002 0.000 0.992 561 E CA 1.032 57.426 56.400 -0.010 0.000 0.804 561 E CB -0.131 29.569 29.700 -0.001 0.000 0.741 561 E HN 0.487 nan 8.360 nan 0.000 0.458 562 E N 0.586 120.791 120.200 0.009 0.000 2.107 562 E HA -0.092 4.258 4.350 -0.001 0.000 0.191 562 E C 2.103 178.714 176.600 0.018 0.000 0.982 562 E CA 0.613 57.031 56.400 0.030 0.000 0.809 562 E CB 0.023 29.757 29.700 0.056 0.000 0.756 562 E HN -0.020 nan 8.360 nan 0.000 0.459 563 V N 1.651 121.562 119.914 -0.005 0.000 2.255 563 V HA -0.304 3.815 4.120 -0.001 0.000 0.247 563 V C 2.287 178.378 176.094 -0.004 0.000 1.051 563 V CA 2.134 64.427 62.300 -0.011 0.000 1.018 563 V CB -0.606 31.196 31.823 -0.036 0.000 0.641 563 V HN 0.252 nan 8.190 nan 0.000 0.445 564 K N -0.007 120.387 120.400 -0.010 0.000 2.044 564 K HA -0.237 4.083 4.320 -0.001 0.000 0.210 564 K C 1.886 178.488 176.600 0.004 0.000 1.049 564 K CA 1.913 58.197 56.287 -0.006 0.000 0.927 564 K CB -0.804 31.689 32.500 -0.012 0.000 0.713 564 K HN 0.463 nan 8.250 nan 0.000 0.443 565 D N 0.963 121.369 120.400 0.010 0.000 2.178 565 D HA -0.098 4.541 4.640 -0.001 0.000 0.201 565 D C 2.119 178.431 176.300 0.020 0.000 0.980 565 D CA 0.720 54.730 54.000 0.017 0.000 0.842 565 D CB -0.178 40.636 40.800 0.024 0.000 0.948 565 D HN 0.127 nan 8.370 nan 0.000 0.472 566 L N 0.810 122.045 121.223 0.021 0.000 2.005 566 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 566 L C 2.470 179.351 176.870 0.018 0.000 1.072 566 L CA 1.258 56.110 54.840 0.021 0.000 0.744 566 L CB -0.469 41.603 42.059 0.022 0.000 0.895 566 L HN 0.121 nan 8.230 nan 0.000 0.433 567 E N 0.188 120.397 120.200 0.015 0.000 2.204 567 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 567 E C 1.975 178.584 176.600 0.014 0.000 0.989 567 E CA 1.174 57.584 56.400 0.015 0.000 0.824 567 E CB -0.318 29.390 29.700 0.013 0.000 0.756 567 E HN 0.557 nan 8.360 nan 0.000 0.477 568 E N 1.814 122.021 120.200 0.013 0.000 2.106 568 E HA 0.039 4.388 4.350 -0.001 0.000 0.192 568 E C 2.019 178.629 176.600 0.016 0.000 0.984 568 E CA 1.229 57.636 56.400 0.012 0.000 0.806 568 E CB -0.593 29.114 29.700 0.011 0.000 0.750 568 E HN 0.471 nan 8.360 nan 0.000 0.458 569 A N -0.988 121.843 122.820 0.019 0.000 2.235 569 A HA 0.467 4.786 4.320 -0.001 0.000 0.208 569 A C 2.164 179.761 177.584 0.021 0.000 1.172 569 A CA 1.276 53.326 52.037 0.022 0.000 0.786 569 A CB -0.479 18.537 19.000 0.026 0.000 0.804 569 A HN 1.549 nan 8.150 nan 0.000 0.479 570 G N -1.159 107.652 108.800 0.019 0.000 2.159 570 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.227 570 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.227 570 G C -0.044 174.869 174.900 0.022 0.000 0.986 570 G CA -0.045 45.067 45.100 0.019 0.000 0.651 570 G HN 0.287 nan 8.290 nan 0.000 0.523 571 I N 1.332 121.914 120.570 0.021 0.000 2.517 571 I HA 0.182 4.352 4.170 -0.001 0.000 0.285 571 I C 1.479 177.612 176.117 0.028 0.000 1.106 571 I CA 0.292 61.605 61.300 0.022 0.000 1.402 571 I CB 0.998 39.008 38.000 0.016 0.000 1.399 571 I HN 0.152 nan 8.210 nan 0.000 0.535 572 K N 5.643 126.064 120.400 0.035 0.000 2.211 572 K HA 0.272 4.591 4.320 -0.001 0.000 0.201 572 K C 0.314 176.952 176.600 0.062 0.000 1.052 572 K CA 0.847 57.163 56.287 0.050 0.000 0.973 572 K CB 0.478 33.014 32.500 0.060 0.000 0.766 572 K HN 0.446 nan 8.250 nan 0.000 0.466 573 I N 1.559 122.154 120.570 0.041 0.000 2.465 573 I HA 0.229 4.399 4.170 -0.001 0.000 0.291 573 I C -0.971 175.131 176.117 -0.025 0.000 1.014 573 I CA -1.056 60.254 61.300 0.017 0.000 1.093 573 I CB 2.368 40.340 38.000 -0.045 0.000 1.267 573 I HN -0.309 nan 8.210 nan 0.000 0.431 574 V N 5.643 125.557 119.914 0.000 0.000 2.577 574 V HA 0.335 4.454 4.120 -0.001 0.000 0.303 574 V C -0.427 175.677 176.094 0.017 0.000 1.042 574 V CA -0.594 61.705 62.300 -0.001 0.000 0.872 574 V CB 1.865 33.699 31.823 0.018 0.000 0.998 574 V HN 0.743 nan 8.190 nan 0.000 0.423 575 Q N 4.281 124.077 119.800 -0.007 0.000 2.271 575 Q HA 0.665 5.005 4.340 -0.001 0.000 0.258 575 Q C -1.346 174.698 176.000 0.073 0.000 0.936 575 Q CA -0.554 55.274 55.803 0.042 0.000 0.909 575 Q CB 1.635 30.357 28.738 -0.027 0.000 1.253 575 Q HN 0.751 nan 8.270 nan 0.000 0.440 576 I N 3.881 124.532 120.570 0.135 0.000 2.355 576 I HA 0.232 4.401 4.170 -0.001 0.000 0.288 576 I C -0.806 175.445 176.117 0.224 0.000 0.999 576 I CA -0.844 60.547 61.300 0.152 0.000 1.163 576 I CB 1.503 39.586 38.000 0.139 0.000 1.316 576 I HN 0.511 nan 8.210 nan 0.000 0.454 577 D N 6.278 126.789 120.400 0.185 0.000 2.325 577 D HA 0.157 4.797 4.640 -0.001 0.000 0.251 577 D C 0.116 176.555 176.300 0.231 0.000 1.196 577 D CA 0.189 54.325 54.000 0.226 0.000 0.866 577 D CB 1.564 42.493 40.800 0.214 0.000 1.101 577 D HN 0.414 nan 8.370 nan 0.000 0.476 578 E N 2.724 123.052 120.200 0.213 0.000 3.896 578 E HA 0.186 4.536 4.350 -0.001 0.000 0.217 578 E C -1.887 174.887 176.600 0.290 0.000 1.150 578 E CA -1.583 54.970 56.400 0.256 0.000 1.338 578 E CB 0.838 30.675 29.700 0.229 0.000 1.242 578 E HN 0.122 nan 8.360 nan 0.000 0.435 579 P HA -0.108 nan 4.420 nan 0.000 0.222 579 P C 0.598 178.099 177.300 0.334 0.000 1.147 579 P CA 0.711 63.992 63.100 0.303 0.000 0.790 579 P CB 0.376 32.229 31.700 0.255 0.000 0.780 580 A N -1.819 121.173 122.820 0.286 0.000 2.379 580 A HA 0.145 4.465 4.320 -0.001 0.000 0.236 580 A C 1.522 179.130 177.584 0.039 0.000 1.272 580 A CA -0.514 51.611 52.037 0.147 0.000 0.886 580 A CB -1.418 17.689 19.000 0.179 0.000 0.962 580 A HN -0.014 nan 8.150 nan 0.000 0.504 581 F N 1.453 121.373 119.950 -0.050 0.000 2.154 581 F HA -0.225 4.302 4.527 -0.001 0.000 0.301 581 F C 2.537 178.190 175.800 -0.246 0.000 1.087 581 F CA 2.434 60.389 58.000 -0.074 0.000 1.274 581 F CB -0.126 38.928 39.000 0.090 0.000 1.009 581 F HN 0.344 nan 8.300 nan 0.000 0.485 582 R N 0.213 120.378 120.500 -0.557 0.000 2.156 582 R HA 0.106 4.446 4.340 -0.001 0.000 0.207 582 R C 1.971 177.933 176.300 -0.564 0.000 1.040 582 R CA 1.021 56.742 56.100 -0.631 0.000 1.013 582 R CB -1.337 28.494 30.300 -0.782 0.000 0.931 582 R HN 0.483 nan 8.270 nan 0.000 0.465 583 E N 0.468 120.405 120.200 -0.438 0.000 2.160 583 E HA -0.201 4.149 4.350 -0.001 0.000 0.195 583 E C 1.782 178.153 176.600 -0.382 0.000 0.991 583 E CA 1.475 57.679 56.400 -0.327 0.000 0.810 583 E CB 0.017 29.589 29.700 -0.214 0.000 0.742 583 E HN 0.381 nan 8.360 nan 0.000 0.466 584 K N 1.311 121.448 120.400 -0.438 0.000 2.432 584 K HA 0.053 4.372 4.320 -0.001 0.000 0.196 584 K C 0.173 176.196 176.600 -0.962 0.000 1.038 584 K CA 0.354 56.357 56.287 -0.474 0.000 0.986 584 K CB -0.053 32.304 32.500 -0.239 0.000 0.782 584 K HN 0.072 nan 8.250 nan 0.000 0.485 585 A N 1.987 124.023 122.820 -1.306 0.000 2.520 585 A HA 0.238 4.558 4.320 -0.001 0.000 0.235 585 A C -2.201 174.927 177.584 -0.759 0.000 1.065 585 A CA -0.947 50.083 52.037 -1.679 0.000 0.764 585 A CB -0.436 17.635 19.000 -1.549 0.000 1.002 585 A HN 0.193 nan 8.150 nan 0.000 0.502 586 P HA 0.122 nan 4.420 nan 0.000 0.270 586 P C 0.776 178.177 177.300 0.168 0.000 1.223 586 P CA -0.205 62.863 63.100 -0.054 0.000 0.785 586 P CB 0.347 32.101 31.700 0.089 0.000 0.923 587 I N -0.283 120.363 120.570 0.127 0.000 2.286 587 I HA -0.182 3.987 4.170 -0.001 0.000 0.248 587 I C 0.980 177.182 176.117 0.142 0.000 1.115 587 I CA 1.525 62.918 61.300 0.155 0.000 1.392 587 I CB -0.367 37.725 38.000 0.154 0.000 1.065 587 I HN 0.267 nan 8.210 nan 0.000 0.418 588 K N 1.266 121.730 120.400 0.108 0.000 2.258 588 K HA 0.235 4.555 4.320 -0.001 0.000 0.284 588 K C 1.153 177.657 176.600 -0.159 0.000 1.051 588 K CA -0.048 56.239 56.287 -0.000 0.000 0.923 588 K CB 1.251 33.772 32.500 0.035 0.000 1.046 588 K HN -0.005 nan 8.250 nan 0.000 0.474 589 K N 1.296 121.426 120.400 -0.451 0.000 2.209 589 K HA -0.153 4.167 4.320 -0.001 0.000 0.204 589 K C 1.923 178.326 176.600 -0.329 0.000 1.048 589 K CA 2.238 57.986 56.287 -0.899 0.000 0.940 589 K CB -0.865 31.160 32.500 -0.792 0.000 0.729 589 K HN 0.743 nan 8.250 nan 0.000 0.451 590 S N 0.463 116.090 115.700 -0.121 0.000 2.469 590 S HA -0.115 4.355 4.470 -0.001 0.000 0.238 590 S C 1.805 176.462 174.600 0.096 0.000 0.998 590 S CA 1.419 59.624 58.200 0.007 0.000 0.957 590 S CB -0.061 63.151 63.200 0.019 0.000 0.764 590 S HN 0.696 nan 8.310 nan 0.000 0.514 591 K N -0.856 119.627 120.400 0.138 0.000 2.374 591 K HA 0.148 4.468 4.320 -0.001 0.000 0.196 591 K C 1.033 177.848 176.600 0.358 0.000 1.023 591 K CA -0.080 56.337 56.287 0.217 0.000 1.103 591 K CB -0.022 32.588 32.500 0.184 0.000 0.848 591 K HN 0.346 nan 8.250 nan 0.000 0.528 592 W N 1.769 123.135 121.300 0.109 0.000 2.355 592 W HA -0.045 4.615 4.660 -0.001 0.000 0.309 592 W C -0.990 175.645 176.519 0.195 0.000 1.206 592 W CA 0.454 57.909 57.345 0.184 0.000 1.284 592 W CB -1.799 27.846 29.460 0.307 0.000 1.145 592 W HN 0.053 nan 8.180 nan 0.000 0.502 593 P HA -0.169 nan 4.420 nan 0.000 0.215 593 P C 1.666 179.065 177.300 0.165 0.000 1.157 593 P CA 3.623 66.904 63.100 0.301 0.000 0.874 593 P CB -0.310 31.555 31.700 0.275 0.000 0.790 594 E N -0.871 119.428 120.200 0.164 0.000 2.110 594 E HA -0.257 4.092 4.350 -0.001 0.000 0.193 594 E C 1.980 178.611 176.600 0.051 0.000 0.988 594 E CA 1.417 57.900 56.400 0.137 0.000 0.804 594 E CB -1.975 27.830 29.700 0.174 0.000 0.745 594 E HN 0.389 nan 8.360 nan 0.000 0.458 595 Y N -0.071 120.126 120.300 -0.172 0.000 2.133 595 Y HA -0.044 4.506 4.550 -0.001 0.000 0.287 595 Y C 2.089 177.359 175.900 -1.051 0.000 1.134 595 Y CA 2.009 59.724 58.100 -0.642 0.000 1.133 595 Y CB -0.470 37.571 38.460 -0.698 0.000 0.987 595 Y HN 0.185 nan 8.280 nan 0.000 0.502 596 F N 1.155 120.521 119.950 -0.973 0.000 2.293 596 F HA -0.104 4.422 4.527 -0.001 0.000 0.300 596 F C 2.539 177.946 175.800 -0.654 0.000 1.086 596 F CA 1.697 59.025 58.000 -1.119 0.000 1.375 596 F CB -0.660 37.541 39.000 -1.332 0.000 1.045 596 F HN 0.243 nan 8.300 nan 0.000 0.516 597 E N 0.594 120.656 120.200 -0.231 0.000 2.038 597 E HA -0.256 4.093 4.350 -0.001 0.000 0.195 597 E C 2.285 178.867 176.600 -0.029 0.000 1.000 597 E CA 2.090 58.461 56.400 -0.050 0.000 0.803 597 E CB -0.543 29.182 29.700 0.040 0.000 0.750 597 E HN 0.634 nan 8.360 nan 0.000 0.448 598 W N -0.109 121.105 121.300 -0.144 0.000 2.476 598 W HA 0.163 4.822 4.660 -0.001 0.000 0.281 598 W C 1.843 178.323 176.519 -0.064 0.000 1.230 598 W CA 0.605 57.901 57.345 -0.081 0.000 1.287 598 W CB -0.586 28.764 29.460 -0.183 0.000 1.108 598 W HN 0.106 nan 8.180 nan 0.000 0.567 599 A N 2.094 124.427 122.820 -0.811 0.000 1.902 599 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 599 A C 2.132 179.768 177.584 0.087 0.000 1.181 599 A CA 2.141 53.787 52.037 -0.651 0.000 0.623 599 A CB -0.972 17.095 19.000 -1.554 0.000 0.818 599 A HN 0.344 nan 8.150 nan 0.000 0.443 600 I N -0.086 120.543 120.570 0.098 0.000 2.202 600 I HA -0.256 3.913 4.170 -0.001 0.000 0.242 600 I C 2.200 178.490 176.117 0.289 0.000 1.091 600 I CA 1.244 62.713 61.300 0.282 0.000 1.368 600 I CB -0.456 37.674 38.000 0.216 0.000 1.058 600 I HN 0.281 nan 8.210 nan 0.000 0.410 601 N N 1.156 119.983 118.700 0.213 0.000 2.104 601 N HA -0.166 4.573 4.740 -0.001 0.000 0.190 601 N C 1.871 177.586 175.510 0.341 0.000 1.024 601 N CA 1.742 54.903 53.050 0.184 0.000 0.853 601 N CB -0.488 37.955 38.487 -0.073 0.000 1.008 601 N HN 0.378 nan 8.380 nan 0.000 0.424 602 A N 0.441 123.552 122.820 0.485 0.000 1.877 602 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 602 A C 2.167 179.950 177.584 0.332 0.000 1.186 602 A CA 1.051 53.376 52.037 0.480 0.000 0.620 602 A CB -1.036 18.312 19.000 0.579 0.000 0.822 602 A HN 0.303 nan 8.150 nan 0.000 0.443 603 F N 1.557 121.648 119.950 0.236 0.000 2.095 603 F HA -0.225 4.302 4.527 -0.001 0.000 0.298 603 F C 1.991 177.870 175.800 0.131 0.000 1.104 603 F CA 2.140 60.242 58.000 0.171 0.000 1.232 603 F CB -0.222 38.869 39.000 0.151 0.000 0.987 603 F HN 0.215 nan 8.300 nan 0.000 0.475 604 N N 0.733 119.584 118.700 0.251 0.000 2.223 604 N HA -0.146 4.593 4.740 -0.001 0.000 0.185 604 N C 2.062 177.572 175.510 -0.001 0.000 1.016 604 N CA 1.360 54.485 53.050 0.125 0.000 0.863 604 N CB -0.578 38.045 38.487 0.227 0.000 0.983 604 N HN 0.368 nan 8.380 nan 0.000 0.429 605 L N 0.498 121.739 121.223 0.030 0.000 2.017 605 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 605 L C 2.354 179.155 176.870 -0.115 0.000 1.073 605 L CA 1.243 56.034 54.840 -0.082 0.000 0.745 605 L CB -0.511 41.500 42.059 -0.079 0.000 0.894 605 L HN 0.132 nan 8.230 nan 0.000 0.432 606 A N -0.155 122.586 122.820 -0.132 0.000 1.902 606 A HA -0.094 4.225 4.320 -0.001 0.000 0.217 606 A C 2.240 179.676 177.584 -0.247 0.000 1.181 606 A CA 1.638 53.566 52.037 -0.182 0.000 0.623 606 A CB -0.547 18.330 19.000 -0.206 0.000 0.818 606 A HN 0.402 nan 8.150 nan 0.000 0.443 607 A N -0.449 122.149 122.820 -0.370 0.000 2.278 607 A HA 0.112 4.432 4.320 -0.001 0.000 0.212 607 A C 0.924 178.420 177.584 -0.147 0.000 1.213 607 A CA -0.168 51.676 52.037 -0.321 0.000 0.840 607 A CB -0.633 18.058 19.000 -0.516 0.000 0.866 607 A HN 0.523 nan 8.150 nan 0.000 0.489 608 N N 1.601 120.227 118.700 -0.125 0.000 2.416 608 N HA 0.240 4.980 4.740 -0.001 0.000 0.291 608 N C -0.212 175.261 175.510 -0.063 0.000 1.257 608 N CA 0.486 53.485 53.050 -0.084 0.000 1.043 608 N CB 0.080 38.505 38.487 -0.104 0.000 1.441 608 N HN 0.385 nan 8.380 nan 0.000 0.490 609 A N 2.210 125.006 122.820 -0.039 0.000 2.386 609 A HA 0.739 5.058 4.320 -0.001 0.000 0.308 609 A C 0.352 177.930 177.584 -0.009 0.000 1.128 609 A CA -0.735 51.290 52.037 -0.020 0.000 0.789 609 A CB 0.907 19.905 19.000 -0.004 0.000 1.325 609 A HN 0.797 nan 8.150 nan 0.000 0.437 610 R N 0.896 121.394 120.500 -0.004 0.000 2.679 610 R HA 0.388 4.727 4.340 -0.001 0.000 0.268 610 R C -2.035 174.271 176.300 0.009 0.000 1.044 610 R CA -0.184 55.916 56.100 -0.000 0.000 1.105 610 R CB -1.507 28.794 30.300 0.001 0.000 0.989 610 R HN 0.631 nan 8.270 nan 0.000 0.447 611 P HA -0.230 nan 4.420 nan 0.000 0.217 611 P C 0.858 178.167 177.300 0.015 0.000 1.148 611 P CA 1.528 64.632 63.100 0.006 0.000 0.828 611 P CB 0.355 32.051 31.700 -0.006 0.000 0.783 612 E N -0.956 119.254 120.200 0.016 0.000 2.511 612 E HA -0.032 4.317 4.350 -0.001 0.000 0.196 612 E C -0.213 176.413 176.600 0.044 0.000 1.066 612 E CA 0.728 57.142 56.400 0.025 0.000 0.871 612 E CB -0.996 28.715 29.700 0.019 0.000 0.863 612 E HN 0.106 nan 8.360 nan 0.000 0.520 613 T N 2.256 116.837 114.554 0.046 0.000 2.728 613 T HA 0.119 4.468 4.350 -0.001 0.000 0.296 613 T C -0.326 174.432 174.700 0.096 0.000 0.940 613 T CA -0.311 61.826 62.100 0.062 0.000 1.013 613 T CB 1.307 70.201 68.868 0.043 0.000 0.912 613 T HN 0.135 nan 8.240 nan 0.000 0.484 614 Q N 4.119 124.000 119.800 0.135 0.000 2.307 614 Q HA 0.253 4.593 4.340 -0.001 0.000 0.259 614 Q C -0.608 175.544 176.000 0.253 0.000 0.998 614 Q CA -0.462 55.465 55.803 0.205 0.000 0.923 614 Q CB 0.344 29.249 28.738 0.279 0.000 1.196 614 Q HN 0.503 nan 8.270 nan 0.000 0.416 615 I N 4.767 125.480 120.570 0.238 0.000 2.331 615 I HA 0.222 4.392 4.170 -0.001 0.000 0.292 615 I C 0.048 176.350 176.117 0.309 0.000 0.998 615 I CA -0.255 61.195 61.300 0.250 0.000 1.267 615 I CB 1.034 39.150 38.000 0.193 0.000 1.386 615 I HN 0.640 nan 8.210 nan 0.000 0.476 616 H N 4.678 123.778 119.070 0.050 0.000 2.476 616 H HA 0.543 5.098 4.556 -0.001 0.000 0.328 616 H C -0.290 175.055 175.328 0.028 0.000 1.073 616 H CA -0.787 55.241 56.048 -0.034 0.000 1.229 616 H CB 2.099 31.773 29.762 -0.145 0.000 1.432 616 H HN 0.694 nan 8.280 nan 0.000 0.477 617 A N 3.270 126.081 122.820 -0.015 0.000 2.249 617 A HA 0.156 4.476 4.320 -0.001 0.000 0.314 617 A C -0.637 176.861 177.584 -0.144 0.000 1.290 617 A CA -0.475 51.524 52.037 -0.064 0.000 0.893 617 A CB -0.119 18.636 19.000 -0.407 0.000 1.165 617 A HN 0.791 nan 8.150 nan 0.000 0.530 618 H N 2.783 121.802 119.070 -0.086 0.000 2.594 618 H HA 0.635 5.191 4.556 -0.001 0.000 0.304 618 H C -0.676 174.613 175.328 -0.066 0.000 1.068 618 H CA -0.395 55.595 56.048 -0.097 0.000 1.308 618 H CB 0.461 30.192 29.762 -0.052 0.000 1.409 618 H HN 0.534 nan 8.280 nan 0.000 0.460 619 M N 5.835 125.097 119.600 -0.565 0.000 1.996 619 M HA 0.164 4.644 4.480 -0.001 0.000 0.268 619 M C -0.329 175.611 176.300 -0.600 0.000 0.888 619 M CA -0.667 54.345 55.300 -0.479 0.000 0.939 619 M CB 1.166 33.592 32.600 -0.290 0.000 1.736 619 M HN 0.804 nan 8.290 nan 0.000 0.407 620 C N 0.193 119.154 119.300 -0.564 0.000 2.435 620 C HA 0.371 4.831 4.460 -0.001 0.000 0.326 620 C C 0.506 175.422 174.990 -0.123 0.000 1.328 620 C CA -0.857 57.978 59.018 -0.305 0.000 1.741 620 C CB -2.562 25.080 27.740 -0.163 0.000 1.998 620 C HN 0.666 nan 8.230 nan 0.000 0.585 621 Y N -0.137 120.109 120.300 -0.089 0.000 2.334 621 Y HA 0.578 5.127 4.550 -0.001 0.000 0.325 621 Y C 1.520 177.329 175.900 -0.150 0.000 1.308 621 Y CA -0.497 57.532 58.100 -0.118 0.000 1.389 621 Y CB -0.050 38.315 38.460 -0.158 0.000 1.328 621 Y HN 0.124 nan 8.280 nan 0.000 0.532 622 S N -1.207 114.549 115.700 0.094 0.000 2.428 622 S HA 0.181 4.650 4.470 -0.001 0.000 0.230 622 S C 0.351 174.977 174.600 0.043 0.000 1.014 622 S CA 0.681 58.913 58.200 0.052 0.000 0.957 622 S CB -1.259 61.977 63.200 0.060 0.000 0.784 622 S HN 1.042 nan 8.310 nan 0.000 0.499 623 D N -0.872 119.522 120.400 -0.011 0.000 2.655 623 D HA 0.660 5.300 4.640 -0.001 0.000 0.229 623 D C -0.701 175.522 176.300 -0.128 0.000 1.229 623 D CA -0.747 53.272 54.000 0.031 0.000 0.807 623 D CB 0.239 41.096 40.800 0.095 0.000 1.514 623 D HN 0.105 nan 8.370 nan 0.000 0.444 624 F N -0.274 119.747 119.950 0.119 0.000 2.746 624 F HA 0.222 4.748 4.527 -0.001 0.000 0.320 624 F C 2.708 178.482 175.800 -0.044 0.000 1.097 624 F CA 0.656 58.682 58.000 0.044 0.000 1.195 624 F CB -0.030 38.870 39.000 -0.167 0.000 1.056 624 F HN 0.623 nan 8.300 nan 0.000 0.562 625 N N 1.193 119.976 118.700 0.139 0.000 2.061 625 N HA -0.233 4.507 4.740 -0.001 0.000 0.193 625 N C 1.709 177.273 175.510 0.090 0.000 1.030 625 N CA 2.061 55.162 53.050 0.085 0.000 0.856 625 N CB -0.895 37.649 38.487 0.095 0.000 1.023 625 N HN 0.460 nan 8.380 nan 0.000 0.424 626 E N -0.068 120.222 120.200 0.151 0.000 2.489 626 E HA 0.437 4.787 4.350 -0.001 0.000 0.193 626 E C 1.326 178.049 176.600 0.205 0.000 1.057 626 E CA 0.684 57.213 56.400 0.215 0.000 0.866 626 E CB -0.787 29.136 29.700 0.372 0.000 0.916 626 E HN 1.155 nan 8.360 nan 0.000 0.500 627 I N -4.930 115.700 120.570 0.100 0.000 4.219 627 I HA 0.391 4.560 4.170 -0.001 0.000 0.329 627 I C 1.537 177.643 176.117 -0.019 0.000 1.427 627 I CA -0.402 60.921 61.300 0.039 0.000 1.151 627 I CB 0.650 38.651 38.000 0.002 0.000 1.369 627 I HN 0.005 nan 8.210 nan 0.000 0.521 628 I N 3.119 123.631 120.570 -0.097 0.000 2.361 628 I HA -0.183 3.986 4.170 -0.001 0.000 0.251 628 I C 2.640 178.550 176.117 -0.345 0.000 1.133 628 I CA 2.494 63.636 61.300 -0.263 0.000 1.413 628 I CB -0.375 37.388 38.000 -0.394 0.000 1.073 628 I HN 0.477 nan 8.210 nan 0.000 0.424 629 E N -0.755 119.279 120.200 -0.277 0.000 2.204 629 E HA -0.226 4.123 4.350 -0.001 0.000 0.194 629 E C 1.845 178.333 176.600 -0.186 0.000 0.989 629 E CA 1.452 57.731 56.400 -0.202 0.000 0.824 629 E CB -1.107 28.460 29.700 -0.221 0.000 0.756 629 E HN 0.657 nan 8.360 nan 0.000 0.477 630 Y N 0.392 120.659 120.300 -0.055 0.000 2.243 630 Y HA 0.064 4.614 4.550 -0.001 0.000 0.293 630 Y C 2.448 178.391 175.900 0.071 0.000 1.124 630 Y CA 0.399 58.481 58.100 -0.029 0.000 1.159 630 Y CB -0.097 38.193 38.460 -0.283 0.000 1.008 630 Y HN 0.133 nan 8.280 nan 0.000 0.527 631 I N 0.001 120.706 120.570 0.224 0.000 2.248 631 I HA -0.348 3.821 4.170 -0.001 0.000 0.248 631 I C 2.243 178.429 176.117 0.115 0.000 1.107 631 I CA 1.987 63.404 61.300 0.195 0.000 1.373 631 I CB -1.318 36.814 38.000 0.220 0.000 1.055 631 I HN 0.324 nan 8.210 nan 0.000 0.418 632 H N 1.423 120.429 119.070 -0.107 0.000 2.518 632 H HA -0.114 4.441 4.556 -0.001 0.000 0.289 632 H C 1.960 177.186 175.328 -0.169 0.000 1.051 632 H CA 1.410 57.323 56.048 -0.224 0.000 1.280 632 H CB 0.057 29.670 29.762 -0.248 0.000 1.380 632 H HN 0.439 nan 8.280 nan 0.000 0.566 633 Q N -0.343 119.399 119.800 -0.097 0.000 2.392 633 Q HA 0.151 4.490 4.340 -0.001 0.000 0.203 633 Q C -0.029 175.917 176.000 -0.090 0.000 0.917 633 Q CA -0.139 55.607 55.803 -0.095 0.000 0.939 633 Q CB 0.704 29.480 28.738 0.064 0.000 1.063 633 Q HN 0.399 nan 8.270 nan 0.000 0.516 634 L N 1.449 122.590 121.223 -0.136 0.000 2.397 634 L HA 0.089 4.429 4.340 -0.001 0.000 0.271 634 L C 1.080 177.805 176.870 -0.242 0.000 1.148 634 L CA -0.189 54.608 54.840 -0.072 0.000 0.825 634 L CB 0.610 42.620 42.059 -0.082 0.000 1.117 634 L HN 0.037 nan 8.230 nan 0.000 0.456 635 E N 2.665 122.917 120.200 0.087 0.000 2.335 635 E HA 0.062 4.411 4.350 -0.001 0.000 0.191 635 E C -0.221 176.404 176.600 0.042 0.000 1.077 635 E CA -0.138 56.252 56.400 -0.015 0.000 1.010 635 E CB -0.147 29.586 29.700 0.055 0.000 1.141 635 E HN 0.376 nan 8.360 nan 0.000 0.452 636 F N -0.931 119.118 119.950 0.166 0.000 2.399 636 F HA 0.301 4.828 4.527 -0.001 0.000 0.313 636 F C 0.951 176.729 175.800 -0.036 0.000 1.202 636 F CA -0.652 57.411 58.000 0.106 0.000 1.192 636 F CB 0.643 39.698 39.000 0.092 0.000 1.256 636 F HN -0.306 nan 8.300 nan 0.000 0.558 637 D N 0.150 120.715 120.400 0.274 0.000 2.431 637 D HA 0.143 4.782 4.640 -0.001 0.000 0.227 637 D C -0.139 176.247 176.300 0.143 0.000 1.030 637 D CA 0.820 54.934 54.000 0.190 0.000 0.897 637 D CB 1.024 41.992 40.800 0.280 0.000 1.058 637 D HN 0.250 nan 8.370 nan 0.000 0.500 638 V N 1.739 121.655 119.914 0.004 0.000 2.789 638 V HA 0.427 4.547 4.120 -0.001 0.000 0.311 638 V C -0.548 175.277 176.094 -0.449 0.000 1.073 638 V CA -0.928 61.165 62.300 -0.345 0.000 0.921 638 V CB 3.144 34.280 31.823 -1.146 0.000 1.009 638 V HN -0.032 nan 8.190 nan 0.000 0.426 639 I N 3.713 123.990 120.570 -0.489 0.000 2.418 639 I HA 0.599 4.768 4.170 -0.001 0.000 0.287 639 I C 0.137 175.988 176.117 -0.443 0.000 1.008 639 I CA -0.118 60.774 61.300 -0.681 0.000 1.104 639 I CB 1.875 39.298 38.000 -0.961 0.000 1.264 639 I HN 0.804 nan 8.210 nan 0.000 0.438 640 S N 8.242 123.751 115.700 -0.319 0.000 2.480 640 S HA 0.719 5.189 4.470 -0.001 0.000 0.286 640 S C -0.347 174.150 174.600 -0.173 0.000 1.180 640 S CA -0.712 57.384 58.200 -0.173 0.000 1.075 640 S CB 1.301 64.505 63.200 0.007 0.000 0.996 640 S HN 0.616 nan 8.310 nan 0.000 0.487 641 I N -0.802 119.663 120.570 -0.175 0.000 3.002 641 I HA 0.641 4.811 4.170 -0.001 0.000 0.310 641 I C -0.631 175.453 176.117 -0.055 0.000 1.087 641 I CA -1.395 59.819 61.300 -0.142 0.000 1.017 641 I CB 2.174 40.030 38.000 -0.240 0.000 1.226 641 I HN 0.773 nan 8.210 nan 0.000 0.443 642 E N 2.759 122.949 120.200 -0.016 0.000 2.044 642 E HA 0.579 4.929 4.350 -0.001 0.000 0.282 642 E C -0.091 176.520 176.600 0.019 0.000 1.031 642 E CA -0.737 55.666 56.400 0.005 0.000 0.824 642 E CB 1.665 31.372 29.700 0.012 0.000 1.076 642 E HN 0.765 nan 8.360 nan 0.000 0.395 643 A N 3.325 126.151 122.820 0.009 0.000 2.382 643 A HA 0.004 4.324 4.320 -0.001 0.000 0.228 643 A C 1.935 179.535 177.584 0.026 0.000 1.217 643 A CA 0.381 52.425 52.037 0.011 0.000 0.923 643 A CB -0.058 18.931 19.000 -0.019 0.000 0.979 643 A HN 0.664 nan 8.150 nan 0.000 0.515 644 S N 0.579 116.302 115.700 0.038 0.000 2.355 644 S HA -0.135 4.334 4.470 -0.001 0.000 0.222 644 S C 2.208 176.832 174.600 0.041 0.000 1.031 644 S CA 1.557 59.788 58.200 0.051 0.000 0.993 644 S CB -0.636 62.614 63.200 0.083 0.000 0.859 644 S HN 0.698 nan 8.310 nan 0.000 0.453 645 R N 1.525 122.048 120.500 0.039 0.000 2.115 645 R HA 0.109 4.448 4.340 -0.001 0.000 0.230 645 R C 2.529 178.840 176.300 0.018 0.000 1.111 645 R CA 1.878 57.996 56.100 0.029 0.000 0.976 645 R CB -1.792 28.526 30.300 0.030 0.000 0.870 645 R HN 0.908 nan 8.270 nan 0.000 0.445 646 S N -0.294 115.420 115.700 0.023 0.000 2.593 646 S HA 0.102 4.572 4.470 -0.001 0.000 0.217 646 S C 0.543 175.152 174.600 0.016 0.000 0.966 646 S CA 0.455 58.666 58.200 0.019 0.000 0.914 646 S CB -0.091 63.130 63.200 0.034 0.000 0.776 646 S HN 0.614 nan 8.310 nan 0.000 0.523 647 K N 0.540 120.950 120.400 0.016 0.000 3.071 647 K HA -0.200 4.120 4.320 -0.001 0.000 0.265 647 K C 0.948 177.554 176.600 0.009 0.000 1.060 647 K CA 0.377 56.671 56.287 0.012 0.000 0.767 647 K CB -2.296 30.207 32.500 0.006 0.000 1.241 647 K HN 1.002 nan 8.250 nan 0.000 0.486 648 G N -0.108 108.699 108.800 0.010 0.000 2.217 648 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.246 648 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.246 648 G C 0.672 175.578 174.900 0.009 0.000 0.990 648 G CA 0.339 45.440 45.100 0.001 0.000 0.627 648 G HN 0.337 nan 8.290 nan 0.000 0.522 649 E N 0.106 120.319 120.200 0.021 0.000 2.265 649 E HA 0.016 4.366 4.350 -0.001 0.000 0.196 649 E C 2.326 178.962 176.600 0.060 0.000 0.996 649 E CA 0.875 57.295 56.400 0.032 0.000 0.832 649 E CB -0.078 29.638 29.700 0.028 0.000 0.756 649 E HN 0.725 nan 8.360 nan 0.000 0.491 650 I N 0.662 121.277 120.570 0.075 0.000 2.657 650 I HA -0.250 3.919 4.170 -0.001 0.000 0.261 650 I C 1.945 178.176 176.117 0.189 0.000 1.212 650 I CA 0.469 61.855 61.300 0.145 0.000 1.453 650 I CB 0.051 38.148 38.000 0.163 0.000 1.092 650 I HN -0.011 nan 8.210 nan 0.000 0.452 651 I N 0.558 121.179 120.570 0.086 0.000 2.916 651 I HA -0.225 3.944 4.170 -0.001 0.000 0.267 651 I C 2.482 178.685 176.117 0.144 0.000 1.263 651 I CA 1.320 62.661 61.300 0.068 0.000 1.471 651 I CB -0.322 37.645 38.000 -0.055 0.000 1.089 651 I HN 0.406 nan 8.210 nan 0.000 0.468 652 S N 0.979 116.745 115.700 0.109 0.000 2.359 652 S HA -0.293 4.176 4.470 -0.001 0.000 0.223 652 S C 2.328 176.957 174.600 0.049 0.000 1.039 652 S CA 1.239 59.481 58.200 0.070 0.000 1.042 652 S CB -1.244 61.992 63.200 0.061 0.000 0.915 652 S HN 0.464 nan 8.310 nan 0.000 0.439 653 A N 0.826 123.661 122.820 0.025 0.000 1.978 653 A HA 0.069 4.388 4.320 -0.001 0.000 0.220 653 A C 1.928 179.325 177.584 -0.312 0.000 1.170 653 A CA 1.570 53.520 52.037 -0.144 0.000 0.636 653 A CB -0.996 17.862 19.000 -0.237 0.000 0.810 653 A HN 0.628 nan 8.150 nan 0.000 0.448 654 F N 0.240 120.014 119.950 -0.295 0.000 2.219 654 F HA -0.029 4.497 4.527 -0.001 0.000 0.294 654 F C 2.535 178.162 175.800 -0.288 0.000 1.086 654 F CA 1.178 58.838 58.000 -0.566 0.000 1.330 654 F CB -0.333 38.082 39.000 -0.976 0.000 1.047 654 F HN 0.448 nan 8.300 nan 0.000 0.495 655 E N 0.095 120.306 120.200 0.018 0.000 2.204 655 E HA -0.166 4.184 4.350 -0.001 0.000 0.194 655 E C 1.213 177.853 176.600 0.067 0.000 0.989 655 E CA 1.182 57.607 56.400 0.041 0.000 0.824 655 E CB -0.550 29.169 29.700 0.031 0.000 0.756 655 E HN 0.365 nan 8.360 nan 0.000 0.477 656 N N 0.112 118.848 118.700 0.060 0.000 2.521 656 N HA -0.033 4.707 4.740 -0.001 0.000 0.188 656 N C -0.664 174.903 175.510 0.094 0.000 1.146 656 N CA 0.303 53.388 53.050 0.059 0.000 0.893 656 N CB 0.022 38.535 38.487 0.044 0.000 0.975 656 N HN 0.136 nan 8.380 nan 0.000 0.451 657 F N 2.658 122.593 119.950 -0.025 0.000 2.351 657 F HA 0.233 4.759 4.527 -0.001 0.000 0.362 657 F C 0.596 176.419 175.800 0.039 0.000 1.131 657 F CA -0.874 57.121 58.000 -0.008 0.000 1.187 657 F CB -0.205 38.803 39.000 0.012 0.000 1.434 657 F HN -0.211 nan 8.300 nan 0.000 0.553 658 K N 3.473 123.691 120.400 -0.303 0.000 2.466 658 K HA 0.413 4.733 4.320 -0.001 0.000 0.278 658 K C 1.123 177.513 176.600 -0.350 0.000 1.048 658 K CA 0.389 56.532 56.287 -0.241 0.000 1.088 658 K CB -0.602 31.759 32.500 -0.233 0.000 0.884 658 K HN 1.606 nan 8.250 nan 0.000 0.478 659 G N 0.649 109.411 108.800 -0.064 0.000 2.179 659 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.220 659 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.220 659 G C 0.112 175.138 174.900 0.211 0.000 0.990 659 G CA -0.010 45.093 45.100 0.005 0.000 0.646 659 G HN 1.095 nan 8.290 nan 0.000 0.517 660 W N 1.882 123.311 121.300 0.214 0.000 2.251 660 W HA 0.490 5.149 4.660 -0.001 0.000 0.327 660 W C 1.019 177.644 176.519 0.176 0.000 1.361 660 W CA 0.775 58.283 57.345 0.272 0.000 1.234 660 W CB 0.100 29.732 29.460 0.286 0.000 1.212 660 W HN 0.495 nan 8.180 nan 0.000 0.557 661 I N 1.520 121.890 120.570 -0.334 0.000 4.541 661 I HA 0.232 4.402 4.170 -0.001 0.000 0.337 661 I C 0.094 176.097 176.117 -0.189 0.000 1.338 661 I CA -0.441 60.820 61.300 -0.066 0.000 1.244 661 I CB 0.119 38.163 38.000 0.073 0.000 1.417 661 I HN 0.033 nan 8.210 nan 0.000 0.501 662 K N 2.333 122.261 120.400 -0.787 0.000 2.098 662 K HA 0.441 4.761 4.320 -0.001 0.000 0.257 662 K C -0.362 176.303 176.600 0.109 0.000 0.999 662 K CA -0.502 55.398 56.287 -0.646 0.000 0.924 662 K CB 1.038 32.958 32.500 -0.967 0.000 1.028 662 K HN 0.169 nan 8.250 nan 0.000 0.466 663 Q N 1.272 121.168 119.800 0.159 0.000 2.373 663 Q HA 0.236 4.575 4.340 -0.001 0.000 0.255 663 Q C -0.398 175.705 176.000 0.171 0.000 0.980 663 Q CA 0.292 56.253 55.803 0.264 0.000 0.882 663 Q CB 0.659 29.597 28.738 0.334 0.000 1.249 663 Q HN 0.368 nan 8.270 nan 0.000 0.438 664 I N 0.833 121.485 120.570 0.137 0.000 2.436 664 I HA 0.343 4.512 4.170 -0.001 0.000 0.289 664 I C 0.234 176.321 176.117 -0.049 0.000 1.010 664 I CA -0.838 60.413 61.300 -0.081 0.000 1.098 664 I CB 1.944 39.790 38.000 -0.256 0.000 1.266 664 I HN 0.639 nan 8.210 nan 0.000 0.434 665 G N 6.053 114.751 108.800 -0.170 0.000 2.393 665 G HA2 0.439 4.398 3.960 -0.001 0.000 0.311 665 G HA3 0.439 4.398 3.960 -0.001 0.000 0.311 665 G C -0.322 174.556 174.900 -0.036 0.000 1.067 665 G CA -0.237 44.836 45.100 -0.046 0.000 1.000 665 G HN 0.360 nan 8.290 nan 0.000 0.422 666 V N 2.920 122.858 119.914 0.040 0.000 2.408 666 V HA 0.407 4.527 4.120 -0.001 0.000 0.267 666 V C 1.239 177.355 176.094 0.037 0.000 1.047 666 V CA -0.408 61.891 62.300 -0.002 0.000 0.937 666 V CB 1.058 32.894 31.823 0.022 0.000 0.999 666 V HN 0.733 nan 8.190 nan 0.000 0.472 667 G N 3.559 112.366 108.800 0.011 0.000 2.356 667 G HA2 0.363 4.322 3.960 -0.001 0.000 0.273 667 G HA3 0.363 4.322 3.960 -0.001 0.000 0.273 667 G C 0.619 175.559 174.900 0.067 0.000 1.213 667 G CA 0.149 45.273 45.100 0.039 0.000 0.955 667 G HN 1.023 nan 8.290 nan 0.000 0.454 668 V N 0.219 120.207 119.914 0.123 0.000 3.427 668 V HA 0.442 4.561 4.120 -0.001 0.000 0.305 668 V C -0.301 175.929 176.094 0.227 0.000 1.412 668 V CA -0.699 61.681 62.300 0.132 0.000 1.086 668 V CB -0.564 31.322 31.823 0.105 0.000 0.964 668 V HN 0.646 nan 8.190 nan 0.000 0.439 669 W N 1.631 122.926 121.300 -0.007 0.000 3.216 669 W HA 0.543 5.203 4.660 -0.001 0.000 0.335 669 W C -1.451 175.053 176.519 -0.024 0.000 1.077 669 W CA -1.729 55.609 57.345 -0.012 0.000 1.252 669 W CB 1.360 30.815 29.460 -0.008 0.000 1.312 669 W HN 0.129 nan 8.180 nan 0.000 0.446 670 D N 5.346 125.897 120.400 0.252 0.000 2.348 670 D HA 0.041 4.680 4.640 -0.001 0.000 0.259 670 D C 1.234 177.462 176.300 -0.119 0.000 1.296 670 D CA 0.069 54.093 54.000 0.040 0.000 0.931 670 D CB 0.476 41.341 40.800 0.110 0.000 1.067 670 D HN 0.393 nan 8.370 nan 0.000 0.503 671 I N 1.190 121.480 120.570 -0.466 0.000 3.444 671 I HA 0.030 4.200 4.170 -0.001 0.000 0.287 671 I C 1.060 176.942 176.117 -0.391 0.000 1.302 671 I CA 0.607 61.536 61.300 -0.618 0.000 1.368 671 I CB -0.426 37.083 38.000 -0.819 0.000 1.048 671 I HN 0.319 nan 8.210 nan 0.000 0.487 672 H N 0.073 119.090 119.070 -0.088 0.000 2.539 672 H HA 0.363 4.918 4.556 -0.001 0.000 0.269 672 H C 0.594 175.918 175.328 -0.007 0.000 0.980 672 H CA 0.318 56.337 56.048 -0.048 0.000 1.152 672 H CB 0.330 30.063 29.762 -0.048 0.000 1.407 672 H HN 0.440 nan 8.280 nan 0.000 0.564 673 S N 0.974 116.743 115.700 0.114 0.000 2.503 673 S HA 0.297 4.767 4.470 -0.001 0.000 0.301 673 S C -1.938 172.744 174.600 0.136 0.000 1.087 673 S CA -1.619 56.649 58.200 0.113 0.000 1.042 673 S CB 2.000 65.267 63.200 0.113 0.000 1.043 673 S HN -0.111 nan 8.310 nan 0.000 0.489 674 P HA 0.214 nan 4.420 nan 0.000 0.236 674 P C 0.105 177.465 177.300 0.100 0.000 1.177 674 P CA 0.183 63.343 63.100 0.101 0.000 0.773 674 P CB -0.133 31.603 31.700 0.060 0.000 0.878 675 A N 0.194 123.067 122.820 0.088 0.000 2.483 675 A HA 0.202 4.522 4.320 -0.001 0.000 0.238 675 A C 0.117 177.712 177.584 0.019 0.000 1.070 675 A CA 0.107 52.172 52.037 0.047 0.000 0.770 675 A CB -0.025 18.997 19.000 0.037 0.000 1.008 675 A HN -0.022 nan 8.150 nan 0.000 0.497 676 V N 4.941 124.821 119.914 -0.058 0.000 2.334 676 V HA 0.256 4.376 4.120 -0.001 0.000 0.267 676 V C -2.052 173.937 176.094 -0.175 0.000 1.040 676 V CA -1.172 61.021 62.300 -0.178 0.000 0.866 676 V CB 0.641 32.370 31.823 -0.157 0.000 1.019 676 V HN 0.803 nan 8.190 nan 0.000 0.468 677 P HA 0.161 nan 4.420 nan 0.000 0.268 677 P C 0.118 177.333 177.300 -0.142 0.000 1.205 677 P CA 0.036 63.051 63.100 -0.143 0.000 0.771 677 P CB 0.458 32.082 31.700 -0.127 0.000 0.858 678 S N 2.575 118.222 115.700 -0.089 0.000 2.593 678 S HA 0.132 4.601 4.470 -0.001 0.000 0.269 678 S C 1.490 176.044 174.600 -0.076 0.000 1.334 678 S CA -0.616 57.536 58.200 -0.079 0.000 1.015 678 S CB 0.196 63.363 63.200 -0.056 0.000 0.912 678 S HN 0.216 nan 8.310 nan 0.000 0.541 679 I N 1.574 122.100 120.570 -0.072 0.000 2.185 679 I HA -0.200 3.969 4.170 -0.001 0.000 0.246 679 I C 2.495 178.579 176.117 -0.055 0.000 1.088 679 I CA 1.452 62.713 61.300 -0.065 0.000 1.347 679 I CB -1.728 36.237 38.000 -0.059 0.000 1.041 679 I HN 0.768 nan 8.210 nan 0.000 0.415 680 N N 0.911 119.582 118.700 -0.048 0.000 2.188 680 N HA -0.173 4.566 4.740 -0.001 0.000 0.184 680 N C 1.754 177.244 175.510 -0.035 0.000 1.018 680 N CA 1.095 54.121 53.050 -0.040 0.000 0.858 680 N CB 0.104 38.570 38.487 -0.035 0.000 0.989 680 N HN 0.462 nan 8.380 nan 0.000 0.426 681 E N -0.091 120.088 120.200 -0.034 0.000 2.106 681 E HA -0.092 4.257 4.350 -0.001 0.000 0.192 681 E C 2.055 178.646 176.600 -0.015 0.000 0.984 681 E CA 0.962 57.348 56.400 -0.022 0.000 0.806 681 E CB 0.030 29.717 29.700 -0.021 0.000 0.750 681 E HN 0.408 nan 8.360 nan 0.000 0.458 682 M N -0.107 119.479 119.600 -0.024 0.000 2.156 682 M HA -0.091 4.389 4.480 -0.001 0.000 0.264 682 M C 2.453 178.737 176.300 -0.027 0.000 1.067 682 M CA 1.069 56.361 55.300 -0.013 0.000 1.131 682 M CB -0.193 32.394 32.600 -0.022 0.000 1.368 682 M HN -0.022 nan 8.290 nan 0.000 0.416 683 R N 1.126 121.599 120.500 -0.046 0.000 2.103 683 R HA -0.204 4.136 4.340 -0.001 0.000 0.242 683 R C 2.279 178.551 176.300 -0.047 0.000 1.142 683 R CA 2.361 58.424 56.100 -0.061 0.000 0.960 683 R CB -0.356 29.907 30.300 -0.062 0.000 0.858 683 R HN 0.471 nan 8.270 nan 0.000 0.439 684 E N 0.846 121.028 120.200 -0.031 0.000 2.118 684 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 684 E C 1.878 178.468 176.600 -0.016 0.000 0.992 684 E CA 1.702 58.090 56.400 -0.021 0.000 0.804 684 E CB -0.656 29.035 29.700 -0.015 0.000 0.741 684 E HN 0.566 nan 8.360 nan 0.000 0.458 685 I N 0.086 120.649 120.570 -0.012 0.000 2.233 685 I HA -0.176 3.994 4.170 -0.001 0.000 0.243 685 I C 2.612 178.722 176.117 -0.012 0.000 1.093 685 I CA 0.963 62.261 61.300 -0.005 0.000 1.380 685 I CB -0.135 37.871 38.000 0.009 0.000 1.067 685 I HN 0.206 nan 8.210 nan 0.000 0.413 686 V N 0.831 120.730 119.914 -0.025 0.000 2.332 686 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 686 V C 2.392 178.469 176.094 -0.028 0.000 1.055 686 V CA 1.901 64.179 62.300 -0.036 0.000 1.038 686 V CB -0.710 31.050 31.823 -0.104 0.000 0.651 686 V HN 0.449 nan 8.190 nan 0.000 0.450 687 E N -0.020 120.158 120.200 -0.037 0.000 2.107 687 E HA -0.229 4.121 4.350 -0.001 0.000 0.191 687 E C 2.374 178.973 176.600 -0.001 0.000 0.982 687 E CA 0.969 57.356 56.400 -0.020 0.000 0.809 687 E CB -0.196 29.488 29.700 -0.028 0.000 0.756 687 E HN 0.369 nan 8.360 nan 0.000 0.459 688 R N 1.384 121.882 120.500 -0.004 0.000 2.120 688 R HA -0.107 4.232 4.340 -0.001 0.000 0.234 688 R C 1.971 178.274 176.300 0.005 0.000 1.123 688 R CA 1.026 57.127 56.100 0.002 0.000 0.975 688 R CB -0.678 29.622 30.300 -0.000 0.000 0.866 688 R HN 0.003 nan 8.270 nan 0.000 0.446 689 V N 0.388 120.304 119.914 0.003 0.000 2.548 689 V HA -0.088 4.032 4.120 -0.001 0.000 0.249 689 V C 1.852 177.963 176.094 0.028 0.000 1.055 689 V CA 1.385 63.685 62.300 -0.000 0.000 1.065 689 V CB -0.275 31.544 31.823 -0.007 0.000 0.681 689 V HN 0.275 nan 8.190 nan 0.000 0.462 690 L N -0.212 121.041 121.223 0.050 0.000 2.591 690 L HA 0.132 4.472 4.340 -0.001 0.000 0.228 690 L C 1.534 178.437 176.870 0.056 0.000 1.133 690 L CA 0.224 55.111 54.840 0.078 0.000 0.880 690 L CB -0.240 41.886 42.059 0.112 0.000 1.033 690 L HN 0.134 nan 8.230 nan 0.000 0.450 691 R N 1.077 121.600 120.500 0.037 0.000 2.878 691 R HA 0.233 4.573 4.340 -0.001 0.000 0.239 691 R C -0.148 176.173 176.300 0.035 0.000 1.515 691 R CA 0.218 56.337 56.100 0.032 0.000 1.210 691 R CB 0.010 30.323 30.300 0.022 0.000 1.209 691 R HN 0.095 nan 8.270 nan 0.000 0.610 692 V N 2.386 122.326 119.914 0.043 0.000 0.506 692 V HA -0.296 3.823 4.120 -0.001 0.000 0.092 692 V C 0.238 176.371 176.094 0.064 0.000 2.292 692 V CA 0.242 62.571 62.300 0.049 0.000 3.595 692 V CB -0.943 30.907 31.823 0.044 0.000 0.882 692 V HN 0.522 nan 8.190 nan 0.000 0.924 693 L N 3.802 125.064 121.223 0.066 0.000 2.453 693 L HA 0.308 4.648 4.340 -0.001 0.000 0.272 693 L C -2.085 174.843 176.870 0.096 0.000 1.182 693 L CA -1.107 53.787 54.840 0.090 0.000 0.858 693 L CB 0.047 42.148 42.059 0.070 0.000 1.120 693 L HN 0.276 nan 8.230 nan 0.000 0.474 694 P HA 0.037 nan 4.420 nan 0.000 0.265 694 P C 0.484 177.821 177.300 0.062 0.000 1.193 694 P CA 0.103 63.252 63.100 0.081 0.000 0.765 694 P CB 0.610 32.363 31.700 0.088 0.000 0.823 695 K N 2.693 123.105 120.400 0.020 0.000 2.209 695 K HA -0.200 4.120 4.320 -0.001 0.000 0.204 695 K C 1.562 178.016 176.600 -0.243 0.000 1.048 695 K CA 1.820 58.060 56.287 -0.078 0.000 0.940 695 K CB -1.297 31.136 32.500 -0.110 0.000 0.729 695 K HN 0.566 nan 8.250 nan 0.000 0.451 696 E N 0.112 120.230 120.200 -0.137 0.000 2.338 696 E HA -0.019 4.330 4.350 -0.001 0.000 0.197 696 E C 1.648 178.238 176.600 -0.017 0.000 1.007 696 E CA 0.600 56.925 56.400 -0.125 0.000 0.849 696 E CB -0.028 29.640 29.700 -0.053 0.000 0.774 696 E HN 0.355 nan 8.360 nan 0.000 0.506 697 L N 0.240 121.504 121.223 0.067 0.000 2.313 697 L HA 0.018 4.358 4.340 -0.001 0.000 0.214 697 L C 0.351 177.367 176.870 0.244 0.000 1.119 697 L CA 0.630 55.585 54.840 0.192 0.000 0.809 697 L CB -0.035 42.163 42.059 0.232 0.000 0.933 697 L HN 0.111 nan 8.230 nan 0.000 0.449 698 I N -1.015 119.646 120.570 0.152 0.000 2.342 698 I HA 0.091 4.261 4.170 -0.001 0.000 0.291 698 I C -0.320 175.983 176.117 0.310 0.000 1.010 698 I CA -0.790 60.663 61.300 0.254 0.000 1.308 698 I CB 0.222 38.415 38.000 0.323 0.000 1.400 698 I HN 0.044 nan 8.210 nan 0.000 0.488 699 W N 6.598 127.963 121.300 0.108 0.000 2.576 699 W HA 0.626 5.286 4.660 -0.001 0.000 0.360 699 W C -0.164 176.431 176.519 0.127 0.000 1.109 699 W CA -0.470 56.950 57.345 0.125 0.000 1.237 699 W CB 0.888 30.403 29.460 0.091 0.000 1.369 699 W HN 0.173 nan 8.180 nan 0.000 0.609 700 I N 3.861 124.649 120.570 0.364 0.000 2.406 700 I HA 0.341 4.510 4.170 -0.001 0.000 0.290 700 I C -0.351 175.912 176.117 0.243 0.000 0.999 700 I CA -0.667 60.777 61.300 0.240 0.000 1.124 700 I CB 0.844 38.940 38.000 0.160 0.000 1.289 700 I HN 0.479 nan 8.210 nan 0.000 0.441 701 N N 5.399 124.216 118.700 0.196 0.000 3.020 701 N HA 0.540 5.280 4.740 -0.001 0.000 0.248 701 N C -3.301 172.299 175.510 0.151 0.000 1.480 701 N CA -1.667 51.488 53.050 0.175 0.000 0.874 701 N CB 1.795 40.363 38.487 0.135 0.000 1.433 701 N HN 0.026 nan 8.380 nan 0.000 0.530 702 P HA 0.208 nan 4.420 nan 0.000 0.274 702 P C 0.153 177.396 177.300 -0.095 0.000 1.256 702 P CA -0.115 62.974 63.100 -0.019 0.000 0.795 702 P CB 0.627 32.113 31.700 -0.358 0.000 1.038 703 D N -1.074 119.228 120.400 -0.163 0.000 2.144 703 D HA -0.065 4.575 4.640 -0.001 0.000 0.199 703 D C 0.781 177.042 176.300 -0.065 0.000 0.984 703 D CA 1.266 55.208 54.000 -0.098 0.000 0.834 703 D CB -0.036 40.690 40.800 -0.122 0.000 0.955 703 D HN 0.273 nan 8.370 nan 0.000 0.465 704 C N -2.352 116.818 119.300 -0.216 0.000 3.254 704 C HA 0.630 5.090 4.460 -0.001 0.000 0.374 704 C C 0.158 174.929 174.990 -0.366 0.000 1.710 704 C CA -0.344 58.559 59.018 -0.192 0.000 1.149 704 C CB 0.961 28.634 27.740 -0.111 0.000 2.019 704 C HN 0.300 nan 8.230 nan 0.000 0.427 705 G N 0.586 109.179 108.800 -0.345 0.000 2.664 705 G HA2 0.432 4.392 3.960 -0.001 0.000 0.242 705 G HA3 0.432 4.392 3.960 -0.001 0.000 0.242 705 G C 0.066 174.732 174.900 -0.389 0.000 1.225 705 G CA -0.241 44.631 45.100 -0.380 0.000 0.849 705 G HN 0.851 nan 8.290 nan 0.000 0.581 706 L N 0.642 121.641 121.223 -0.373 0.000 2.857 706 L HA 0.204 4.544 4.340 -0.001 0.000 0.249 706 L C 2.819 179.542 176.870 -0.244 0.000 1.172 706 L CA 0.401 55.050 54.840 -0.319 0.000 0.980 706 L CB -0.170 41.752 42.059 -0.228 0.000 1.299 706 L HN 0.714 nan 8.230 nan 0.000 0.535 707 K N 0.497 120.758 120.400 -0.232 0.000 2.211 707 K HA -0.174 4.146 4.320 -0.001 0.000 0.204 707 K C 1.906 178.436 176.600 -0.117 0.000 1.047 707 K CA 2.081 58.266 56.287 -0.169 0.000 0.935 707 K CB -1.316 31.090 32.500 -0.156 0.000 0.728 707 K HN 0.511 nan 8.250 nan 0.000 0.452 708 T N -2.239 112.248 114.554 -0.112 0.000 3.086 708 T HA 0.228 4.578 4.350 -0.001 0.000 0.250 708 T C 0.847 175.513 174.700 -0.057 0.000 1.074 708 T CA -0.590 61.476 62.100 -0.058 0.000 0.988 708 T CB 0.048 68.907 68.868 -0.016 0.000 0.988 708 T HN 0.228 nan 8.240 nan 0.000 0.530 709 R N 1.365 121.805 120.500 -0.099 0.000 2.700 709 R HA 0.577 4.916 4.340 -0.001 0.000 0.253 709 R C -0.647 175.597 176.300 -0.093 0.000 1.091 709 R CA -0.771 55.289 56.100 -0.065 0.000 1.104 709 R CB 0.548 30.820 30.300 -0.046 0.000 1.202 709 R HN 0.205 nan 8.270 nan 0.000 0.532 710 N N -0.521 118.160 118.700 -0.030 0.000 2.456 710 N HA 0.156 4.895 4.740 -0.001 0.000 0.296 710 N C 0.593 176.116 175.510 0.020 0.000 1.102 710 N CA -0.349 52.690 53.050 -0.018 0.000 0.924 710 N CB 0.629 39.149 38.487 0.054 0.000 1.186 710 N HN 0.512 nan 8.380 nan 0.000 0.492 711 W N 0.403 121.750 121.300 0.078 0.000 2.325 711 W HA -0.154 4.506 4.660 -0.001 0.000 0.299 711 W C 1.170 177.716 176.519 0.045 0.000 1.215 711 W CA 0.524 57.904 57.345 0.059 0.000 1.244 711 W CB 0.080 29.555 29.460 0.024 0.000 1.140 711 W HN 0.540 nan 8.180 nan 0.000 0.523 712 D N -0.020 120.532 120.400 0.255 0.000 2.218 712 D HA -0.158 4.481 4.640 -0.001 0.000 0.204 712 D C 1.507 177.873 176.300 0.110 0.000 0.976 712 D CA 1.535 55.624 54.000 0.148 0.000 0.853 712 D CB -0.287 40.575 40.800 0.102 0.000 0.939 712 D HN 0.459 nan 8.370 nan 0.000 0.481 713 E N -0.028 120.246 120.200 0.124 0.000 2.201 713 E HA 0.010 4.359 4.350 -0.001 0.000 0.193 713 E C 2.298 178.967 176.600 0.115 0.000 0.957 713 E CA 0.015 56.475 56.400 0.100 0.000 0.858 713 E CB 0.237 30.018 29.700 0.135 0.000 0.816 713 E HN -0.018 nan 8.360 nan 0.000 0.475 714 V N 1.671 121.718 119.914 0.222 0.000 2.307 714 V HA -0.228 3.892 4.120 -0.001 0.000 0.245 714 V C 2.243 178.462 176.094 0.209 0.000 1.045 714 V CA 1.492 63.998 62.300 0.343 0.000 1.024 714 V CB -0.312 31.692 31.823 0.302 0.000 0.651 714 V HN 0.239 nan 8.190 nan 0.000 0.449 715 I N 0.102 120.799 120.570 0.211 0.000 2.179 715 I HA -0.155 4.014 4.170 -0.001 0.000 0.242 715 I C -0.215 175.914 176.117 0.019 0.000 1.088 715 I CA 1.708 63.090 61.300 0.137 0.000 1.357 715 I CB -1.270 36.806 38.000 0.126 0.000 1.051 715 I HN 0.385 nan 8.210 nan 0.000 0.409 716 P HA -0.045 nan 4.420 nan 0.000 0.217 716 P C 1.679 178.866 177.300 -0.190 0.000 1.151 716 P CA 1.230 64.278 63.100 -0.087 0.000 0.828 716 P CB 0.051 31.703 31.700 -0.080 0.000 0.788 717 S N -0.317 115.177 115.700 -0.343 0.000 2.368 717 S HA -0.084 4.386 4.470 -0.001 0.000 0.225 717 S C 1.857 176.182 174.600 -0.458 0.000 1.030 717 S CA 1.069 58.852 58.200 -0.694 0.000 0.999 717 S CB -1.155 61.034 63.200 -1.684 0.000 0.844 717 S HN 0.112 nan 8.310 nan 0.000 0.459 718 L N 0.954 122.053 121.223 -0.208 0.000 2.046 718 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 718 L C 2.745 179.613 176.870 -0.003 0.000 1.077 718 L CA 1.213 56.066 54.840 0.022 0.000 0.747 718 L CB -0.434 41.720 42.059 0.158 0.000 0.896 718 L HN 0.223 nan 8.230 nan 0.000 0.432 719 R N -0.153 120.328 120.500 -0.032 0.000 2.096 719 R HA -0.149 4.190 4.340 -0.001 0.000 0.235 719 R C 2.070 178.341 176.300 -0.048 0.000 1.127 719 R CA 1.429 57.512 56.100 -0.028 0.000 0.968 719 R CB -0.409 29.870 30.300 -0.034 0.000 0.861 719 R HN 0.397 nan 8.270 nan 0.000 0.440 720 N N 0.941 119.584 118.700 -0.094 0.000 2.120 720 N HA -0.152 4.587 4.740 -0.001 0.000 0.188 720 N C 1.870 177.338 175.510 -0.070 0.000 1.024 720 N CA 1.708 54.698 53.050 -0.101 0.000 0.852 720 N CB -0.180 38.212 38.487 -0.158 0.000 1.003 720 N HN 0.341 nan 8.380 nan 0.000 0.424 721 M N -1.242 118.327 119.600 -0.052 0.000 2.200 721 M HA 0.033 4.513 4.480 -0.001 0.000 0.265 721 M C 1.811 178.122 176.300 0.019 0.000 1.066 721 M CA 1.095 56.398 55.300 0.004 0.000 1.127 721 M CB -0.582 32.063 32.600 0.076 0.000 1.379 721 M HN -0.192 nan 8.290 nan 0.000 0.420 722 V N 1.857 121.786 119.914 0.025 0.000 2.287 722 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 722 V C 3.072 179.168 176.094 0.003 0.000 1.053 722 V CA 2.294 64.609 62.300 0.026 0.000 1.027 722 V CB -1.268 30.572 31.823 0.029 0.000 0.646 722 V HN 0.652 nan 8.190 nan 0.000 0.447 723 A N -0.378 122.434 122.820 -0.013 0.000 1.933 723 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 723 A C 2.156 179.718 177.584 -0.036 0.000 1.175 723 A CA 2.109 54.132 52.037 -0.024 0.000 0.628 723 A CB -0.570 18.411 19.000 -0.032 0.000 0.814 723 A HN 0.487 nan 8.150 nan 0.000 0.444 724 L N -0.394 120.802 121.223 -0.045 0.000 2.093 724 L HA -0.018 4.322 4.340 -0.001 0.000 0.208 724 L C 2.581 179.394 176.870 -0.095 0.000 1.085 724 L CA 2.051 56.848 54.840 -0.071 0.000 0.755 724 L CB -0.737 41.279 42.059 -0.073 0.000 0.904 724 L HN 0.334 nan 8.230 nan 0.000 0.435 725 A N 0.091 122.876 122.820 -0.057 0.000 1.835 725 A HA -0.190 4.130 4.320 -0.001 0.000 0.215 725 A C 2.605 180.182 177.584 -0.012 0.000 1.199 725 A CA 2.880 54.894 52.037 -0.038 0.000 0.615 725 A CB -1.300 17.723 19.000 0.037 0.000 0.838 725 A HN 0.425 nan 8.150 nan 0.000 0.444 726 K N 0.030 120.432 120.400 0.004 0.000 2.127 726 K HA -0.258 4.062 4.320 -0.001 0.000 0.208 726 K C 1.889 178.488 176.600 -0.001 0.000 1.047 726 K CA 2.415 58.708 56.287 0.011 0.000 0.927 726 K CB -0.953 31.549 32.500 0.003 0.000 0.716 726 K HN 0.814 nan 8.250 nan 0.000 0.450 727 E N -0.807 119.374 120.200 -0.031 0.000 2.072 727 E HA -0.122 4.228 4.350 -0.001 0.000 0.190 727 E C 2.148 178.712 176.600 -0.060 0.000 0.982 727 E CA 1.140 57.514 56.400 -0.044 0.000 0.803 727 E CB -0.039 29.625 29.700 -0.059 0.000 0.755 727 E HN 0.486 nan 8.360 nan 0.000 0.453 728 M N 0.882 120.404 119.600 -0.130 0.000 2.229 728 M HA 0.008 4.487 4.480 -0.001 0.000 0.264 728 M C 1.236 177.561 176.300 0.041 0.000 1.063 728 M CA 1.020 56.184 55.300 -0.227 0.000 1.114 728 M CB -0.754 31.370 32.600 -0.793 0.000 1.387 728 M HN -0.014 nan 8.290 nan 0.000 0.420 729 R N 0.000 120.587 120.500 0.145 0.000 2.786 729 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 729 R CA 0.000 56.223 56.100 0.205 0.000 0.921 729 R CB 0.000 30.388 30.300 0.147 0.000 0.687 729 R HN 0.000 nan 8.270 nan 0.000 0.535