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 1fgq_1_A DATA FIRST_RESID 6 DATA SEQUENCE HKIKGTVVLM PKNELXXXXX XXXXXNLNAF LGRSVSLQLI SATKADAHGK DATA SEQUENCE GKVGKDTFLE GINTSLPTLG AGESAFNIHF EWDGSMGIPG AFYIKNYMQV DATA SEQUENCE EFFLKSLTLE AIXXXXTIRF VCNSWVYNTK LYKSVRIFFA NHTYVPSETP DATA SEQUENCE APLVSYREEE LKSLRGNGTG ERKEYDRIYD YDVYNDLGNP DKSEKLARPV DATA SEQUENCE LGGSSTFPYP RRGRTGRGPT VTDPNTEKQG EVFYVPRDEN LGHLKSKDAL DATA SEQUENCE EIGTKSLSQI VQPAFESAFD LKSTPIEFHS FQDVHDLYEG GIKLPRDVIS DATA SEQUENCE TIIPLPVIKE LYRTDGQHIL KFPQPHVVQV SQSAWMTDEE FAREMIAGVN DATA SEQUENCE PCVIRGLEEF PPKSNLDPAI YGDQSSKITA DSLDLDGYTM DEALGSRRLF DATA SEQUENCE MLDYHDIFMP YVRQINQLNS AKTYATRTIL FLREDGTLKP VAIELSLPHS DATA SEQUENCE AGDLSAAVSQ VVLPAKEGVE STIWLLAKAY VIVNDSCYHE LMSHWLNTHA DATA SEQUENCE AMEPFVIATH RHLSVLHPIY KLLTPHYRNN MNINALARQS LINANGIIET DATA SEQUENCE TFLPSKYSVE MSSAVYKNWV FTDQALPADL IKRGVAIKDP STPHGVRLLI DATA SEQUENCE EDYPYAADGL EIWAAIKTWV QEYVPLYYAR DDDVKNDSEL QHWWKEAVEK DATA SEQUENCE GHGDLKDKPW WPKLQTLEDL VEVCLIIIWI ASALHAAVNF GQYPYGGLIM DATA SEQUENCE NRPTASRRLL PEKGTPEYEE MINNHEKAYL RTITSKLPTL ISLSVIEILS DATA SEQUENCE THASDEVYLG QRDNPHWTSD SKALQAFQKF GNKLKEIEEK LVRRNNDPSL DATA SEQUENCE QGNRLGPVQL PYTLLYPSSE EGLTFRGIPN SISI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.417 175.328 0.148 0.000 0.993 6 H CA 0.000 56.109 56.048 0.101 0.000 1.023 6 H CB 0.000 nan 29.762 nan 0.000 1.292 7 K N 0.966 121.460 120.400 0.157 0.000 2.316 7 K HA 0.823 5.145 4.320 0.003 0.000 0.251 7 K C -0.700 176.038 176.600 0.231 0.000 0.934 7 K CA -0.147 56.266 56.287 0.210 0.000 0.802 7 K CB 1.195 33.804 32.500 0.183 0.000 1.171 7 K HN 0.561 nan 8.250 nan 0.000 0.426 8 I N 2.622 123.351 120.570 0.266 0.000 2.312 8 I HA 0.254 4.426 4.170 0.003 0.000 0.290 8 I C 0.417 176.621 176.117 0.145 0.000 1.008 8 I CA -0.760 60.656 61.300 0.194 0.000 1.226 8 I CB 1.735 39.820 38.000 0.141 0.000 1.371 8 I HN 0.683 nan 8.210 nan 0.000 0.468 9 K N 5.562 125.986 120.400 0.039 0.000 2.349 9 K HA 0.478 4.799 4.320 0.003 0.000 0.288 9 K C -0.070 176.439 176.600 -0.151 0.000 1.058 9 K CA -0.155 56.005 56.287 -0.213 0.000 0.953 9 K CB 0.829 33.271 32.500 -0.098 0.000 0.997 9 K HN 0.825 nan 8.250 nan 0.000 0.477 10 G N 1.801 110.473 108.800 -0.215 0.000 2.533 10 G HA2 0.463 4.425 3.960 0.003 0.000 0.304 10 G HA3 0.463 4.425 3.960 0.003 0.000 0.304 10 G C -1.284 173.530 174.900 -0.143 0.000 1.263 10 G CA -0.520 44.529 45.100 -0.086 0.000 0.964 10 G HN 0.498 nan 8.290 nan 0.000 0.479 11 T N 0.478 114.967 114.554 -0.109 0.000 2.840 11 T HA 0.481 4.833 4.350 0.003 0.000 0.287 11 T C -0.542 174.098 174.700 -0.100 0.000 0.991 11 T CA -0.296 61.745 62.100 -0.099 0.000 0.964 11 T CB 1.697 70.515 68.868 -0.084 0.000 0.954 11 T HN 0.343 nan 8.240 nan 0.000 0.438 12 V N 4.185 124.055 119.914 -0.073 0.000 2.370 12 V HA 0.458 4.580 4.120 0.003 0.000 0.283 12 V C -0.098 175.982 176.094 -0.024 0.000 1.023 12 V CA -0.655 61.595 62.300 -0.083 0.000 0.857 12 V CB 1.628 33.386 31.823 -0.107 0.000 0.985 12 V HN 0.696 nan 8.190 nan 0.000 0.443 13 V N 7.042 126.915 119.914 -0.068 0.000 2.398 13 V HA 0.665 4.787 4.120 0.003 0.000 0.286 13 V C -0.276 175.765 176.094 -0.089 0.000 1.026 13 V CA -0.406 61.857 62.300 -0.063 0.000 0.868 13 V CB 1.386 33.173 31.823 -0.060 0.000 0.982 13 V HN 0.792 nan 8.190 nan 0.000 0.443 14 L N 2.854 124.029 121.223 -0.081 0.000 2.491 14 L HA 0.817 5.159 4.340 0.003 0.000 0.254 14 L C -0.876 175.960 176.870 -0.058 0.000 1.048 14 L CA -0.919 53.852 54.840 -0.116 0.000 0.855 14 L CB 2.235 44.115 42.059 -0.300 0.000 1.466 14 L HN 0.487 nan 8.230 nan 0.000 0.409 15 M N 1.368 120.984 119.600 0.028 0.000 2.142 15 M HA 0.526 5.008 4.480 0.003 0.000 0.299 15 M C -2.578 173.828 176.300 0.176 0.000 0.960 15 M CA -1.290 54.065 55.300 0.091 0.000 0.920 15 M CB 2.357 35.040 32.600 0.139 0.000 1.541 15 M HN 0.405 nan 8.290 nan 0.000 0.429 16 P HA 0.052 nan 4.420 nan 0.000 0.268 16 P C 0.240 177.774 177.300 0.390 0.000 1.205 16 P CA -0.038 63.317 63.100 0.426 0.000 0.771 16 P CB 0.714 32.684 31.700 0.450 0.000 0.858 17 K N 3.938 124.621 120.400 0.473 0.000 2.107 17 K HA -0.277 4.045 4.320 0.003 0.000 0.211 17 K C 1.345 178.133 176.600 0.314 0.000 1.049 17 K CA 1.996 58.572 56.287 0.481 0.000 0.927 17 K CB -0.369 32.330 32.500 0.333 0.000 0.714 17 K HN 0.506 nan 8.250 nan 0.000 0.452 18 N N 0.146 118.986 118.700 0.233 0.000 2.635 18 N HA -0.155 4.587 4.740 0.003 0.000 0.191 18 N C 0.548 176.151 175.510 0.155 0.000 1.155 18 N CA 0.868 54.017 53.050 0.165 0.000 0.927 18 N CB 0.124 38.693 38.487 0.137 0.000 0.976 18 N HN 0.355 nan 8.380 nan 0.000 0.448 19 E N -0.012 120.298 120.200 0.184 0.000 2.162 19 E HA 0.165 4.517 4.350 0.003 0.000 0.193 19 E C 0.553 177.235 176.600 0.136 0.000 0.953 19 E CA 0.161 56.647 56.400 0.143 0.000 0.849 19 E CB 0.197 29.976 29.700 0.132 0.000 0.810 19 E HN 0.273 nan 8.360 nan 0.000 0.470 32 L N 0.314 121.747 121.223 0.349 0.000 2.324 32 L HA -0.470 3.871 4.340 0.003 0.000 0.237 32 L C 1.587 178.762 176.870 0.509 0.000 1.137 32 L CA 2.060 57.230 54.840 0.550 0.000 0.855 32 L CB -0.816 41.418 42.059 0.291 0.000 0.961 32 L HN 0.660 nan 8.230 nan 0.000 0.446 33 N N -0.267 118.592 118.700 0.265 0.000 2.182 33 N HA -0.233 4.508 4.740 0.003 0.000 0.192 33 N C 1.676 177.251 175.510 0.109 0.000 1.007 33 N CA 1.653 54.810 53.050 0.179 0.000 0.873 33 N CB -0.213 38.333 38.487 0.098 0.000 0.998 33 N HN 0.556 nan 8.380 nan 0.000 0.436 34 A N 0.068 122.900 122.820 0.020 0.000 2.172 34 A HA -0.039 4.282 4.320 0.003 0.000 0.216 34 A C 1.518 178.975 177.584 -0.211 0.000 1.154 34 A CA 0.670 52.630 52.037 -0.128 0.000 0.701 34 A CB -0.535 18.327 19.000 -0.230 0.000 0.789 34 A HN 0.176 nan 8.150 nan 0.000 0.465 35 F N -0.117 119.801 119.950 -0.054 0.000 2.710 35 F HA 0.210 4.739 4.527 0.003 0.000 0.298 35 F C 1.189 176.871 175.800 -0.197 0.000 1.137 35 F CA 0.158 58.017 58.000 -0.235 0.000 1.444 35 F CB -0.264 38.370 39.000 -0.609 0.000 1.111 35 F HN 0.081 nan 8.300 nan 0.000 0.580 36 L N -1.362 119.915 121.223 0.089 0.000 2.777 36 L HA 0.501 4.842 4.340 0.003 0.000 0.195 36 L C 1.638 178.534 176.870 0.043 0.000 1.190 36 L CA 0.009 54.896 54.840 0.079 0.000 0.933 36 L CB -0.799 41.324 42.059 0.107 0.000 1.758 36 L HN 0.279 nan 8.230 nan 0.000 0.515 37 G N -0.052 108.755 108.800 0.011 0.000 2.574 37 G HA2 -0.332 3.630 3.960 0.003 0.000 0.286 37 G HA3 -0.332 3.630 3.960 0.003 0.000 0.286 37 G C 0.275 175.093 174.900 -0.135 0.000 1.212 37 G CA 0.349 45.407 45.100 -0.070 0.000 0.979 37 G HN 0.646 nan 8.290 nan 0.000 0.557 38 R N 0.480 120.841 120.500 -0.232 0.000 2.702 38 R HA 0.440 4.782 4.340 0.003 0.000 0.314 38 R C 1.967 178.375 176.300 0.181 0.000 1.152 38 R CA 0.486 56.338 56.100 -0.413 0.000 1.097 38 R CB 0.279 30.156 30.300 -0.706 0.000 1.343 38 R HN 0.296 nan 8.270 nan 0.000 0.575 39 S N 0.073 115.926 115.700 0.256 0.000 2.371 39 S HA 0.015 4.487 4.470 0.003 0.000 0.224 39 S C 0.853 175.737 174.600 0.473 0.000 1.029 39 S CA 0.588 58.974 58.200 0.310 0.000 0.978 39 S CB 0.418 63.692 63.200 0.124 0.000 0.833 39 S HN 0.041 nan 8.310 nan 0.000 0.466 40 V N 2.216 122.382 119.914 0.420 0.000 2.525 40 V HA 0.574 4.695 4.120 0.003 0.000 0.299 40 V C -0.519 175.620 176.094 0.075 0.000 1.034 40 V CA -0.810 61.650 62.300 0.266 0.000 0.863 40 V CB 1.712 33.572 31.823 0.062 0.000 0.999 40 V HN 0.343 nan 8.190 nan 0.000 0.423 41 S N 5.400 121.040 115.700 -0.101 0.000 2.513 41 S HA 0.926 5.398 4.470 0.003 0.000 0.299 41 S C -1.184 173.324 174.600 -0.153 0.000 1.087 41 S CA -0.715 57.186 58.200 -0.498 0.000 1.012 41 S CB 1.915 64.576 63.200 -0.899 0.000 1.044 41 S HN 0.392 nan 8.310 nan 0.000 0.485 42 L N 1.835 122.995 121.223 -0.105 0.000 2.381 42 L HA 0.576 4.917 4.340 0.003 0.000 0.268 42 L C -0.306 176.685 176.870 0.201 0.000 0.997 42 L CA -0.291 54.607 54.840 0.097 0.000 0.818 42 L CB 2.132 44.223 42.059 0.052 0.000 1.310 42 L HN 0.785 nan 8.230 nan 0.000 0.416 43 Q N 2.885 122.816 119.800 0.219 0.000 2.309 43 Q HA 0.577 4.919 4.340 0.003 0.000 0.270 43 Q C -1.209 174.832 176.000 0.068 0.000 1.023 43 Q CA -0.581 55.350 55.803 0.214 0.000 0.758 43 Q CB 2.446 31.346 28.738 0.269 0.000 1.247 43 Q HN 0.479 nan 8.270 nan 0.000 0.455 44 L N 3.233 124.383 121.223 -0.121 0.000 2.439 44 L HA 0.400 4.741 4.340 0.003 0.000 0.269 44 L C -0.128 176.672 176.870 -0.117 0.000 1.179 44 L CA -0.085 54.504 54.840 -0.419 0.000 0.828 44 L CB 0.453 41.886 42.059 -1.044 0.000 1.106 44 L HN 0.497 nan 8.230 nan 0.000 0.467 45 I N 1.276 121.734 120.570 -0.187 0.000 2.498 45 I HA 0.165 4.337 4.170 0.003 0.000 0.290 45 I C 0.054 176.235 176.117 0.106 0.000 1.032 45 I CA -0.269 61.023 61.300 -0.013 0.000 1.073 45 I CB 2.097 39.881 38.000 -0.360 0.000 1.251 45 I HN 0.515 nan 8.210 nan 0.000 0.426 46 S N 3.781 119.721 115.700 0.400 0.000 2.548 46 S HA 0.434 4.906 4.470 0.003 0.000 0.277 46 S C 0.860 175.608 174.600 0.247 0.000 1.315 46 S CA -0.041 58.409 58.200 0.416 0.000 1.050 46 S CB 1.269 64.749 63.200 0.467 0.000 0.918 46 S HN 0.738 nan 8.310 nan 0.000 0.497 47 A N 3.279 126.216 122.820 0.196 0.000 2.267 47 A HA 0.191 4.512 4.320 0.003 0.000 0.213 47 A C 1.772 179.414 177.584 0.097 0.000 1.192 47 A CA 0.791 52.914 52.037 0.142 0.000 0.851 47 A CB -0.311 18.764 19.000 0.124 0.000 0.881 47 A HN 0.926 nan 8.150 nan 0.000 0.494 48 T N -3.979 110.647 114.554 0.120 0.000 2.964 48 T HA 0.278 4.629 4.350 0.003 0.000 0.249 48 T C 0.505 175.249 174.700 0.073 0.000 1.000 48 T CA 0.184 62.331 62.100 0.078 0.000 0.992 48 T CB 0.016 68.930 68.868 0.077 0.000 1.087 48 T HN 0.075 nan 8.240 nan 0.000 0.489 49 K N 1.892 122.353 120.400 0.102 0.000 2.265 49 K HA 0.780 5.102 4.320 0.003 0.000 0.267 49 K C -0.854 175.791 176.600 0.076 0.000 0.994 49 K CA -0.445 55.880 56.287 0.063 0.000 0.860 49 K CB 1.393 33.912 32.500 0.031 0.000 1.099 49 K HN 0.422 nan 8.250 nan 0.000 0.448 50 A N 3.188 126.037 122.820 0.049 0.000 2.330 50 A HA 0.562 4.884 4.320 0.003 0.000 0.329 50 A C -0.764 176.840 177.584 0.033 0.000 1.135 50 A CA -0.754 51.316 52.037 0.055 0.000 0.817 50 A CB 0.577 19.599 19.000 0.038 0.000 1.269 50 A HN 0.861 nan 8.150 nan 0.000 0.469 51 D N 0.237 120.663 120.400 0.043 0.000 2.425 51 D HA 0.424 5.065 4.640 0.003 0.000 0.274 51 D C 1.077 177.365 176.300 -0.019 0.000 1.242 51 D CA 0.172 54.183 54.000 0.018 0.000 1.060 51 D CB 0.213 41.041 40.800 0.047 0.000 1.112 51 D HN 0.484 nan 8.370 nan 0.000 0.561 52 A N -1.512 121.259 122.820 -0.082 0.000 2.216 52 A HA -0.142 4.180 4.320 0.003 0.000 0.214 52 A C 1.295 178.747 177.584 -0.220 0.000 1.160 52 A CA 0.950 52.886 52.037 -0.169 0.000 0.725 52 A CB -0.764 18.086 19.000 -0.250 0.000 0.784 52 A HN 0.572 nan 8.150 nan 0.000 0.472 53 H N -2.064 116.998 119.070 -0.012 0.000 2.755 53 H HA 0.269 4.827 4.556 0.003 0.000 0.273 53 H C 1.642 176.945 175.328 -0.042 0.000 1.055 53 H CA 0.557 56.590 56.048 -0.026 0.000 1.191 53 H CB 0.613 30.358 29.762 -0.029 0.000 1.536 53 H HN 0.569 nan 8.280 nan 0.000 0.529 54 G N 1.300 110.137 108.800 0.062 0.000 2.176 54 G HA2 -0.244 3.718 3.960 0.003 0.000 0.232 54 G HA3 -0.244 3.718 3.960 0.003 0.000 0.232 54 G C 0.146 175.035 174.900 -0.019 0.000 0.986 54 G CA -0.178 44.932 45.100 0.016 0.000 0.643 54 G HN 0.293 nan 8.290 nan 0.000 0.522 55 K N 0.976 121.358 120.400 -0.030 0.000 2.201 55 K HA 0.525 4.847 4.320 0.003 0.000 0.278 55 K C 1.069 177.705 176.600 0.060 0.000 1.027 55 K CA -0.170 56.032 56.287 -0.143 0.000 0.909 55 K CB 1.362 33.690 32.500 -0.286 0.000 1.062 55 K HN 0.348 nan 8.250 nan 0.000 0.465 56 G N 2.949 111.879 108.800 0.216 0.000 2.224 56 G HA2 -0.139 3.823 3.960 0.003 0.000 0.239 56 G HA3 -0.139 3.823 3.960 0.003 0.000 0.239 56 G C -0.315 174.788 174.900 0.339 0.000 1.240 56 G CA -0.184 45.119 45.100 0.339 0.000 0.896 56 G HN 0.510 nan 8.290 nan 0.000 0.496 57 K N 0.609 121.149 120.400 0.233 0.000 2.448 57 K HA 0.208 4.529 4.320 0.003 0.000 0.278 57 K C 0.023 176.785 176.600 0.269 0.000 1.009 57 K CA -0.193 56.206 56.287 0.188 0.000 0.995 57 K CB 1.102 33.635 32.500 0.055 0.000 0.917 57 K HN 0.199 nan 8.250 nan 0.000 0.481 58 V N 2.592 122.656 119.914 0.250 0.000 2.435 58 V HA 0.277 4.399 4.120 0.003 0.000 0.290 58 V C 0.895 177.153 176.094 0.274 0.000 1.030 58 V CA -0.729 61.747 62.300 0.294 0.000 0.881 58 V CB 1.472 33.485 31.823 0.317 0.000 0.983 58 V HN 0.971 nan 8.190 nan 0.000 0.445 59 G N 3.506 112.545 108.800 0.398 0.000 2.553 59 G HA2 0.328 4.290 3.960 0.003 0.000 0.278 59 G HA3 0.328 4.290 3.960 0.003 0.000 0.278 59 G C -0.197 174.860 174.900 0.261 0.000 1.349 59 G CA -0.679 44.642 45.100 0.368 0.000 1.037 59 G HN 0.643 nan 8.290 nan 0.000 0.508 60 K N 0.130 120.677 120.400 0.245 0.000 2.154 60 K HA 0.135 4.457 4.320 0.003 0.000 0.264 60 K C -0.570 176.135 176.600 0.176 0.000 1.008 60 K CA -0.376 56.023 56.287 0.188 0.000 0.937 60 K CB 0.693 33.293 32.500 0.167 0.000 1.002 60 K HN 0.368 nan 8.250 nan 0.000 0.469 61 D N 2.131 122.603 120.400 0.120 0.000 2.401 61 D HA 0.013 4.655 4.640 0.003 0.000 0.254 61 D C -0.534 175.727 176.300 -0.066 0.000 1.192 61 D CA 0.707 54.704 54.000 -0.004 0.000 0.885 61 D CB 0.764 41.556 40.800 -0.014 0.000 1.147 61 D HN 0.317 nan 8.370 nan 0.000 0.478 62 T N 3.108 117.558 114.554 -0.173 0.000 2.792 62 T HA 0.369 4.721 4.350 0.003 0.000 0.280 62 T C 0.001 174.485 174.700 -0.360 0.000 0.990 62 T CA -0.582 61.413 62.100 -0.176 0.000 0.960 62 T CB 0.490 69.187 68.868 -0.285 0.000 0.939 62 T HN 0.046 nan 8.240 nan 0.000 0.439 63 F N 1.417 121.332 119.950 -0.059 0.000 2.408 63 F HA 0.510 5.039 4.527 0.003 0.000 0.325 63 F C 0.745 176.485 175.800 -0.099 0.000 1.082 63 F CA -1.552 56.422 58.000 -0.043 0.000 1.032 63 F CB 0.488 39.486 39.000 -0.005 0.000 1.259 63 F HN 0.270 nan 8.300 nan 0.000 0.503 64 L N 1.603 122.873 121.223 0.078 0.000 2.490 64 L HA 0.040 4.381 4.340 0.003 0.000 0.274 64 L C 0.912 177.829 176.870 0.079 0.000 1.201 64 L CA 0.357 55.197 54.840 0.001 0.000 0.869 64 L CB 0.350 42.332 42.059 -0.129 0.000 1.123 64 L HN 0.764 nan 8.230 nan 0.000 0.484 65 E N 1.586 121.834 120.200 0.080 0.000 2.099 65 E HA 0.195 4.547 4.350 0.003 0.000 0.191 65 E C 0.697 177.366 176.600 0.115 0.000 0.962 65 E CA 0.414 56.868 56.400 0.091 0.000 0.826 65 E CB 0.469 30.223 29.700 0.091 0.000 0.788 65 E HN 0.825 nan 8.360 nan 0.000 0.461 66 G N -0.023 108.870 108.800 0.156 0.000 2.559 66 G HA2 0.436 4.397 3.960 0.003 0.000 0.291 66 G HA3 0.436 4.397 3.960 0.003 0.000 0.291 66 G C -1.692 173.281 174.900 0.121 0.000 1.424 66 G CA -0.970 44.218 45.100 0.147 0.000 0.786 66 G HN -0.069 nan 8.290 nan 0.000 0.485 67 I N 1.897 122.468 120.570 0.001 0.000 2.396 67 I HA 0.237 4.408 4.170 0.003 0.000 0.289 67 I C 0.355 176.351 176.117 -0.202 0.000 1.056 67 I CA -0.871 60.275 61.300 -0.256 0.000 1.365 67 I CB 1.152 39.016 38.000 -0.227 0.000 1.407 67 I HN 0.372 nan 8.210 nan 0.000 0.509 68 N N 4.541 123.080 118.700 -0.267 0.000 2.472 68 N HA 0.252 4.994 4.740 0.003 0.000 0.277 68 N C -0.117 175.291 175.510 -0.170 0.000 1.081 68 N CA -0.063 52.888 53.050 -0.166 0.000 0.973 68 N CB 1.035 39.434 38.487 -0.146 0.000 1.105 68 N HN 0.660 nan 8.380 nan 0.000 0.470 69 T N -0.516 113.973 114.554 -0.109 0.000 3.697 69 T HA 0.300 4.651 4.350 0.003 0.000 0.260 69 T C 0.508 175.171 174.700 -0.061 0.000 0.998 69 T CA -0.579 61.466 62.100 -0.091 0.000 1.128 69 T CB -0.243 68.579 68.868 -0.077 0.000 1.082 69 T HN 0.224 nan 8.240 nan 0.000 0.541 70 S N 0.923 116.588 115.700 -0.058 0.000 2.357 70 S HA 0.309 4.781 4.470 0.003 0.000 0.209 70 S C 0.478 175.059 174.600 -0.032 0.000 1.023 70 S CA -0.293 57.884 58.200 -0.039 0.000 0.933 70 S CB -0.193 62.986 63.200 -0.034 0.000 0.897 70 S HN 0.500 nan 8.310 nan 0.000 0.529 71 L N 4.326 125.528 121.223 -0.034 0.000 2.361 71 L HA 0.294 4.636 4.340 0.003 0.000 0.278 71 L C -2.072 174.785 176.870 -0.023 0.000 1.113 71 L CA -1.636 53.190 54.840 -0.024 0.000 0.849 71 L CB 0.426 42.474 42.059 -0.019 0.000 1.155 71 L HN -0.022 nan 8.230 nan 0.000 0.452 72 P HA -0.084 nan 4.420 nan 0.000 0.216 72 P C 0.126 177.421 177.300 -0.009 0.000 1.150 72 P CA 1.037 64.129 63.100 -0.012 0.000 0.837 72 P CB -0.008 31.687 31.700 -0.007 0.000 0.786 73 T N 1.607 116.159 114.554 -0.003 0.000 3.333 73 T HA 0.198 4.550 4.350 0.003 0.000 0.240 73 T C 0.117 174.817 174.700 -0.001 0.000 0.961 73 T CA 0.632 62.735 62.100 0.004 0.000 1.215 73 T CB -1.014 67.862 68.868 0.013 0.000 1.031 73 T HN -0.088 nan 8.240 nan 0.000 0.709 74 L N 2.471 123.691 121.223 -0.004 0.000 2.572 74 L HA 0.482 4.824 4.340 0.003 0.000 0.249 74 L C 0.096 176.961 176.870 -0.008 0.000 1.114 74 L CA -0.088 54.745 54.840 -0.012 0.000 0.933 74 L CB 0.127 42.165 42.059 -0.035 0.000 1.131 74 L HN 0.518 nan 8.230 nan 0.000 0.507 75 G N 1.441 110.245 108.800 0.006 0.000 3.019 75 G HA2 0.587 4.548 3.960 0.003 0.000 0.152 75 G HA3 0.587 4.548 3.960 0.003 0.000 0.152 75 G C 0.523 175.434 174.900 0.019 0.000 1.320 75 G CA -0.204 44.903 45.100 0.011 0.000 1.013 75 G HN 1.536 nan 8.290 nan 0.000 0.593 76 A N -1.396 121.441 122.820 0.029 0.000 2.511 76 A HA 0.259 4.581 4.320 0.003 0.000 0.297 76 A C 1.861 179.469 177.584 0.041 0.000 1.476 76 A CA 1.595 53.656 52.037 0.039 0.000 0.757 76 A CB -1.713 17.314 19.000 0.046 0.000 1.072 76 A HN 2.822 nan 8.150 nan 0.000 0.413 77 G N -1.039 107.783 108.800 0.036 0.000 2.416 77 G HA2 -0.252 3.709 3.960 0.003 0.000 0.301 77 G HA3 -0.252 3.709 3.960 0.003 0.000 0.301 77 G C -0.027 174.895 174.900 0.036 0.000 0.985 77 G CA 1.142 46.267 45.100 0.042 0.000 0.934 77 G HN 1.133 nan 8.290 nan 0.000 0.513 78 E N -0.421 119.787 120.200 0.014 0.000 2.248 78 E HA 0.655 5.006 4.350 0.003 0.000 0.272 78 E C -0.172 176.394 176.600 -0.057 0.000 1.008 78 E CA -0.427 55.970 56.400 -0.006 0.000 0.856 78 E CB 1.359 31.057 29.700 -0.003 0.000 1.120 78 E HN 0.151 nan 8.360 nan 0.000 0.397 79 S N 0.526 116.164 115.700 -0.103 0.000 2.541 79 S HA 0.625 5.096 4.470 0.003 0.000 0.280 79 S C -1.146 173.253 174.600 -0.334 0.000 1.112 79 S CA -0.779 57.278 58.200 -0.239 0.000 0.925 79 S CB 1.803 64.839 63.200 -0.275 0.000 1.067 79 S HN 0.581 nan 8.310 nan 0.000 0.479 80 A N 2.163 124.713 122.820 -0.449 0.000 2.312 80 A HA 0.879 5.201 4.320 0.003 0.000 0.326 80 A C -1.287 175.888 177.584 -0.681 0.000 1.172 80 A CA -0.386 51.423 52.037 -0.380 0.000 0.821 80 A CB 0.222 19.086 19.000 -0.226 0.000 1.166 80 A HN 0.628 nan 8.150 nan 0.000 0.493 81 F N 1.679 121.534 119.950 -0.158 0.000 2.518 81 F HA 0.332 4.861 4.527 0.003 0.000 0.323 81 F C 0.185 175.903 175.800 -0.136 0.000 1.129 81 F CA -0.778 57.136 58.000 -0.144 0.000 0.920 81 F CB 1.958 40.848 39.000 -0.183 0.000 1.160 81 F HN 0.495 nan 8.300 nan 0.000 0.440 82 N N 3.825 122.549 118.700 0.041 0.000 2.530 82 N HA 0.557 5.298 4.740 0.003 0.000 0.273 82 N C -0.899 174.586 175.510 -0.042 0.000 1.173 82 N CA -0.040 52.996 53.050 -0.024 0.000 0.967 82 N CB 1.948 40.448 38.487 0.023 0.000 1.109 82 N HN 0.725 nan 8.380 nan 0.000 0.453 83 I N 0.577 121.025 120.570 -0.202 0.000 2.828 83 I HA 0.238 4.409 4.170 0.003 0.000 0.295 83 I C -1.686 174.109 176.117 -0.536 0.000 1.459 83 I CA -0.617 60.507 61.300 -0.293 0.000 1.015 83 I CB 1.638 39.393 38.000 -0.409 0.000 1.345 83 I HN 0.510 nan 8.210 nan 0.000 0.449 84 H N 5.831 124.676 119.070 -0.374 0.000 2.589 84 H HA 0.554 5.112 4.556 0.003 0.000 0.351 84 H C -1.508 173.614 175.328 -0.343 0.000 1.074 84 H CA -0.211 55.695 56.048 -0.236 0.000 1.203 84 H CB 1.670 31.385 29.762 -0.078 0.000 1.558 84 H HN 0.257 nan 8.280 nan 0.000 0.522 85 F N 0.568 120.574 119.950 0.092 0.000 2.443 85 F HA 0.197 4.726 4.527 0.003 0.000 0.335 85 F C 0.843 176.758 175.800 0.193 0.000 1.104 85 F CA -0.840 57.227 58.000 0.110 0.000 1.013 85 F CB 1.315 40.339 39.000 0.039 0.000 1.136 85 F HN 0.508 nan 8.300 nan 0.000 0.470 86 E N 4.378 124.799 120.200 0.368 0.000 1.944 86 E HA -0.036 4.316 4.350 0.003 0.000 0.272 86 E C -1.345 175.483 176.600 0.380 0.000 1.195 86 E CA -0.056 56.513 56.400 0.281 0.000 0.926 86 E CB 0.326 30.138 29.700 0.188 0.000 1.051 86 E HN 0.648 nan 8.360 nan 0.000 0.404 87 W N 5.884 127.258 121.300 0.122 0.000 2.563 87 W HA 0.179 4.841 4.660 0.003 0.000 0.301 87 W C -1.157 175.402 176.519 0.067 0.000 1.006 87 W CA -0.898 56.500 57.345 0.088 0.000 1.382 87 W CB 0.871 30.378 29.460 0.078 0.000 1.262 87 W HN 0.493 nan 8.180 nan 0.000 0.403 88 D N 1.482 121.819 120.400 -0.105 0.000 2.341 88 D HA 0.285 4.927 4.640 0.003 0.000 0.245 88 D C 1.813 178.048 176.300 -0.107 0.000 1.106 88 D CA 0.783 54.745 54.000 -0.062 0.000 0.905 88 D CB 1.666 42.414 40.800 -0.087 0.000 1.202 88 D HN 0.476 nan 8.370 nan 0.000 0.426 89 G N 1.339 110.149 108.800 0.017 0.000 2.549 89 G HA2 -0.306 3.655 3.960 0.003 0.000 0.222 89 G HA3 -0.306 3.655 3.960 0.003 0.000 0.222 89 G C 1.397 176.281 174.900 -0.027 0.000 1.100 89 G CA 1.224 46.352 45.100 0.046 0.000 0.739 89 G HN 0.554 nan 8.290 nan 0.000 0.577 90 S N -0.335 115.307 115.700 -0.096 0.000 2.474 90 S HA 0.089 4.560 4.470 0.003 0.000 0.235 90 S C 1.948 176.435 174.600 -0.189 0.000 0.997 90 S CA 0.691 58.823 58.200 -0.113 0.000 0.949 90 S CB -0.107 63.028 63.200 -0.109 0.000 0.766 90 S HN 0.175 nan 8.310 nan 0.000 0.517 91 M N 1.680 121.052 119.600 -0.380 0.000 2.494 91 M HA 0.277 4.759 4.480 0.003 0.000 0.232 91 M C 1.466 177.677 176.300 -0.148 0.000 1.137 91 M CA 0.553 55.508 55.300 -0.576 0.000 1.012 91 M CB -1.212 30.398 32.600 -1.651 0.000 1.567 91 M HN 0.599 nan 8.290 nan 0.000 0.486 92 G N 1.640 110.463 108.800 0.038 0.000 2.598 92 G HA2 -0.249 3.712 3.960 0.003 0.000 0.244 92 G HA3 -0.249 3.712 3.960 0.003 0.000 0.244 92 G C -0.298 174.865 174.900 0.438 0.000 1.302 92 G CA -0.727 44.495 45.100 0.203 0.000 0.903 92 G HN 0.393 nan 8.290 nan 0.000 0.575 93 I N 3.003 123.764 120.570 0.319 0.000 2.336 93 I HA 0.353 4.524 4.170 0.003 0.000 0.292 93 I C -1.799 174.431 176.117 0.188 0.000 0.991 93 I CA -2.056 59.392 61.300 0.247 0.000 1.227 93 I CB 2.116 40.196 38.000 0.132 0.000 1.366 93 I HN 0.308 nan 8.210 nan 0.000 0.466 94 P HA 0.078 nan 4.420 nan 0.000 0.271 94 P C 0.352 177.663 177.300 0.019 0.000 1.226 94 P CA 0.052 63.031 63.100 -0.201 0.000 0.765 94 P CB 1.162 32.456 31.700 -0.676 0.000 0.835 95 G N 1.626 110.477 108.800 0.086 0.000 3.274 95 G HA2 0.515 4.476 3.960 0.003 0.000 0.250 95 G HA3 0.515 4.476 3.960 0.003 0.000 0.250 95 G C 0.127 175.144 174.900 0.195 0.000 1.024 95 G CA 0.354 45.545 45.100 0.151 0.000 0.840 95 G HN 0.818 nan 8.290 nan 0.000 0.522 96 A N -0.329 122.582 122.820 0.152 0.000 2.493 96 A HA 0.849 5.171 4.320 0.003 0.000 0.300 96 A C -1.823 175.692 177.584 -0.115 0.000 1.152 96 A CA -0.655 51.365 52.037 -0.028 0.000 0.643 96 A CB 0.900 19.524 19.000 -0.626 0.000 1.316 96 A HN 1.231 nan 8.150 nan 0.000 0.469 97 F N -2.343 117.304 119.950 -0.505 0.000 2.708 97 F HA 0.748 5.276 4.527 0.003 0.000 0.309 97 F C -2.110 173.444 175.800 -0.411 0.000 1.120 97 F CA -1.141 56.557 58.000 -0.503 0.000 0.978 97 F CB 0.374 39.038 39.000 -0.560 0.000 1.283 97 F HN 0.556 nan 8.300 nan 0.000 0.439 98 Y N 3.422 123.735 120.300 0.022 0.000 2.376 98 Y HA 0.762 5.314 4.550 0.003 0.000 0.325 98 Y C -0.113 175.910 175.900 0.206 0.000 1.199 98 Y CA -1.308 56.773 58.100 -0.031 0.000 1.206 98 Y CB 1.723 40.149 38.460 -0.056 0.000 1.229 98 Y HN 0.838 nan 8.280 nan 0.000 0.480 99 I N 2.053 122.821 120.570 0.331 0.000 2.692 99 I HA 0.407 4.578 4.170 0.003 0.000 0.293 99 I C -1.724 174.478 176.117 0.142 0.000 1.200 99 I CA -0.763 60.714 61.300 0.295 0.000 1.036 99 I CB 1.648 39.923 38.000 0.459 0.000 1.258 99 I HN 0.566 nan 8.210 nan 0.000 0.421 100 K N 4.752 125.181 120.400 0.049 0.000 2.426 100 K HA 0.352 4.674 4.320 0.003 0.000 0.254 100 K C -1.126 175.375 176.600 -0.165 0.000 0.936 100 K CA -0.800 55.413 56.287 -0.123 0.000 0.801 100 K CB 1.727 34.048 32.500 -0.298 0.000 1.139 100 K HN 0.419 nan 8.250 nan 0.000 0.424 101 N N 2.405 121.045 118.700 -0.101 0.000 2.457 101 N HA 0.139 4.881 4.740 0.003 0.000 0.250 101 N C -0.552 174.892 175.510 -0.109 0.000 0.982 101 N CA -0.161 52.931 53.050 0.070 0.000 0.941 101 N CB 0.507 39.095 38.487 0.168 0.000 1.120 101 N HN 0.480 nan 8.380 nan 0.000 0.505 102 Y N 1.927 122.347 120.300 0.201 0.000 2.482 102 Y HA 0.288 4.839 4.550 0.003 0.000 0.270 102 Y C 0.794 176.752 175.900 0.097 0.000 1.152 102 Y CA 0.096 58.279 58.100 0.139 0.000 1.292 102 Y CB 0.013 38.567 38.460 0.156 0.000 1.070 102 Y HN 0.408 nan 8.280 nan 0.000 0.528 103 M N 0.107 119.836 119.600 0.214 0.000 2.226 103 M HA 0.015 4.497 4.480 0.003 0.000 0.324 103 M C 1.343 177.692 176.300 0.082 0.000 1.112 103 M CA -0.058 55.313 55.300 0.118 0.000 1.176 103 M CB 0.659 33.306 32.600 0.079 0.000 1.430 103 M HN 0.046 nan 8.290 nan 0.000 0.462 104 Q N 0.687 120.512 119.800 0.043 0.000 2.083 104 Q HA 0.051 4.393 4.340 0.003 0.000 0.198 104 Q C 0.194 176.201 176.000 0.013 0.000 0.969 104 Q CA 0.969 56.787 55.803 0.025 0.000 0.838 104 Q CB -0.226 28.521 28.738 0.015 0.000 0.900 104 Q HN 0.563 nan 8.270 nan 0.000 0.436 105 V N 3.616 123.542 119.914 0.020 0.000 2.509 105 V HA 0.047 4.169 4.120 0.003 0.000 0.284 105 V C 0.571 176.687 176.094 0.038 0.000 1.047 105 V CA -0.742 61.567 62.300 0.014 0.000 0.952 105 V CB 1.325 33.175 31.823 0.044 0.000 0.988 105 V HN 0.264 nan 8.190 nan 0.000 0.469 106 E N 4.692 124.820 120.200 -0.120 0.000 2.408 106 E HA 0.258 4.610 4.350 0.003 0.000 0.259 106 E C -0.899 175.844 176.600 0.239 0.000 1.110 106 E CA -0.176 56.106 56.400 -0.196 0.000 0.929 106 E CB 1.132 30.302 29.700 -0.883 0.000 0.971 106 E HN 0.501 nan 8.360 nan 0.000 0.438 107 F N -0.984 119.164 119.950 0.331 0.000 2.629 107 F HA 0.626 5.155 4.527 0.003 0.000 0.316 107 F C -1.339 174.532 175.800 0.118 0.000 1.081 107 F CA -2.055 56.144 58.000 0.331 0.000 0.954 107 F CB 0.912 40.098 39.000 0.310 0.000 1.337 107 F HN 0.277 nan 8.300 nan 0.000 0.474 108 F N 3.712 123.554 119.950 -0.181 0.000 2.371 108 F HA 0.559 5.087 4.527 0.003 0.000 0.363 108 F C -0.750 174.971 175.800 -0.132 0.000 1.122 108 F CA -1.332 56.267 58.000 -0.668 0.000 1.129 108 F CB 0.985 39.268 39.000 -1.195 0.000 1.173 108 F HN 0.586 nan 8.300 nan 0.000 0.489 109 L N 7.817 128.720 121.223 -0.533 0.000 2.313 109 L HA 0.290 4.631 4.340 0.003 0.000 0.282 109 L C 0.758 177.194 176.870 -0.724 0.000 1.092 109 L CA 0.250 54.862 54.840 -0.381 0.000 0.831 109 L CB 0.487 42.386 42.059 -0.265 0.000 1.159 109 L HN 0.568 nan 8.230 nan 0.000 0.442 110 K N 2.432 122.574 120.400 -0.429 0.000 2.063 110 K HA 0.260 4.582 4.320 0.003 0.000 0.204 110 K C 0.308 176.784 176.600 -0.208 0.000 1.039 110 K CA 1.055 57.153 56.287 -0.315 0.000 0.957 110 K CB -0.049 32.383 32.500 -0.115 0.000 0.764 110 K HN 0.812 nan 8.250 nan 0.000 0.447 111 S N -0.678 114.932 115.700 -0.151 0.000 2.615 111 S HA 0.506 4.977 4.470 0.003 0.000 0.268 111 S C -1.757 172.792 174.600 -0.086 0.000 1.146 111 S CA -1.146 57.010 58.200 -0.073 0.000 0.818 111 S CB 1.095 64.294 63.200 -0.001 0.000 1.111 111 S HN 0.028 nan 8.310 nan 0.000 0.465 112 L N 0.781 121.981 121.223 -0.039 0.000 2.385 112 L HA 0.864 5.206 4.340 0.003 0.000 0.273 112 L C -1.106 175.770 176.870 0.010 0.000 0.990 112 L CA 0.216 54.943 54.840 -0.189 0.000 0.821 112 L CB 2.061 43.707 42.059 -0.689 0.000 1.279 112 L HN 0.950 nan 8.230 nan 0.000 0.412 113 T N 6.127 120.654 114.554 -0.045 0.000 2.840 113 T HA 0.564 4.916 4.350 0.003 0.000 0.287 113 T C -0.621 174.062 174.700 -0.029 0.000 0.991 113 T CA -0.302 61.799 62.100 0.001 0.000 0.964 113 T CB 0.966 69.808 68.868 -0.042 0.000 0.954 113 T HN 0.459 nan 8.240 nan 0.000 0.438 114 L N 3.573 124.801 121.223 0.008 0.000 2.280 114 L HA 0.476 4.818 4.340 0.003 0.000 0.287 114 L C 0.377 177.229 176.870 -0.030 0.000 1.023 114 L CA -0.759 54.064 54.840 -0.028 0.000 0.819 114 L CB 1.262 43.298 42.059 -0.039 0.000 1.212 114 L HN 0.583 nan 8.230 nan 0.000 0.420 115 E N 2.738 122.920 120.200 -0.030 0.000 2.277 115 E HA 0.519 4.871 4.350 0.003 0.000 0.274 115 E C 0.273 176.872 176.600 -0.002 0.000 1.022 115 E CA -0.522 55.865 56.400 -0.021 0.000 0.853 115 E CB 1.515 31.202 29.700 -0.022 0.000 1.086 115 E HN 0.711 nan 8.360 nan 0.000 0.397 116 A N 2.752 125.572 122.820 0.001 0.000 2.360 116 A HA -0.176 4.145 4.320 0.003 0.000 0.289 116 A C -0.185 177.414 177.584 0.024 0.000 1.437 116 A CA 1.042 53.088 52.037 0.015 0.000 0.734 116 A CB -1.844 17.172 19.000 0.026 0.000 1.145 116 A HN 0.638 nan 8.150 nan 0.000 0.374 123 I N 2.724 123.244 120.570 -0.084 0.000 2.378 123 I HA 0.545 4.717 4.170 0.003 0.000 0.291 123 I C 0.106 176.128 176.117 -0.158 0.000 0.992 123 I CA -0.785 60.424 61.300 -0.151 0.000 1.154 123 I CB 1.701 39.644 38.000 -0.096 0.000 1.315 123 I HN 0.311 nan 8.210 nan 0.000 0.448 124 R N 5.397 125.693 120.500 -0.340 0.000 2.637 124 R HA 0.690 5.032 4.340 0.003 0.000 0.291 124 R C -1.609 174.470 176.300 -0.369 0.000 0.963 124 R CA -0.674 55.291 56.100 -0.226 0.000 0.901 124 R CB 2.070 32.201 30.300 -0.282 0.000 1.160 124 R HN 0.321 nan 8.270 nan 0.000 0.457 125 F N 0.972 120.883 119.950 -0.066 0.000 2.507 125 F HA 0.336 4.865 4.527 0.003 0.000 0.328 125 F C -0.249 175.558 175.800 0.012 0.000 1.136 125 F CA -0.996 57.015 58.000 0.019 0.000 0.930 125 F CB 1.890 40.997 39.000 0.178 0.000 1.166 125 F HN 0.059 nan 8.300 nan 0.000 0.436 126 V N 3.288 123.307 119.914 0.175 0.000 2.318 126 V HA 0.160 4.281 4.120 0.003 0.000 0.271 126 V C 0.046 176.206 176.094 0.110 0.000 1.030 126 V CA -0.257 62.118 62.300 0.125 0.000 0.844 126 V CB 0.639 32.547 31.823 0.142 0.000 1.015 126 V HN 1.103 nan 8.190 nan 0.000 0.460 127 C N 2.279 121.560 119.300 -0.032 0.000 2.664 127 C HA 0.152 4.613 4.460 0.003 0.000 0.285 127 C C 1.279 176.195 174.990 -0.123 0.000 1.386 127 C CA -0.418 58.486 59.018 -0.189 0.000 1.753 127 C CB -0.602 26.681 27.740 -0.762 0.000 2.115 127 C HN 0.919 nan 8.230 nan 0.000 0.577 128 N N 1.666 120.176 118.700 -0.317 0.000 2.669 128 N HA -0.158 4.583 4.740 0.003 0.000 0.266 128 N C -0.474 174.857 175.510 -0.299 0.000 1.024 128 N CA 1.264 54.083 53.050 -0.386 0.000 0.766 128 N CB -0.768 37.782 38.487 0.106 0.000 0.898 128 N HN 0.659 nan 8.380 nan 0.000 0.548 129 S N -0.696 114.616 115.700 -0.647 0.000 2.536 129 S HA 0.543 5.015 4.470 0.003 0.000 0.271 129 S C -0.993 173.547 174.600 -0.100 0.000 1.134 129 S CA -0.797 57.381 58.200 -0.037 0.000 0.897 129 S CB 0.802 64.212 63.200 0.349 0.000 1.094 129 S HN 0.299 nan 8.310 nan 0.000 0.473 130 W N 2.889 124.414 121.300 0.375 0.000 2.266 130 W HA 0.480 5.142 4.660 0.003 0.000 0.317 130 W C -0.317 176.348 176.519 0.244 0.000 1.310 130 W CA -0.348 57.203 57.345 0.343 0.000 1.207 130 W CB 0.891 30.627 29.460 0.460 0.000 1.199 130 W HN 0.362 nan 8.180 nan 0.000 0.544 131 V N 5.882 125.872 119.914 0.127 0.000 2.326 131 V HA 0.203 4.325 4.120 0.003 0.000 0.281 131 V C -0.327 175.750 176.094 -0.028 0.000 1.015 131 V CA -1.166 61.154 62.300 0.034 0.000 0.823 131 V CB -0.339 31.219 31.823 -0.441 0.000 1.009 131 V HN 0.332 nan 8.190 nan 0.000 0.436 132 Y N 2.170 122.567 120.300 0.163 0.000 2.289 132 Y HA 0.225 4.777 4.550 0.003 0.000 0.332 132 Y C 1.276 177.083 175.900 -0.156 0.000 1.324 132 Y CA -0.607 57.437 58.100 -0.093 0.000 1.478 132 Y CB 0.447 38.705 38.460 -0.336 0.000 1.378 132 Y HN 0.604 nan 8.280 nan 0.000 0.558 133 N N 0.431 119.094 118.700 -0.060 0.000 2.356 133 N HA -0.150 4.591 4.740 0.003 0.000 0.252 133 N C 1.156 176.589 175.510 -0.129 0.000 1.241 133 N CA 0.749 53.756 53.050 -0.072 0.000 0.861 133 N CB 1.003 39.453 38.487 -0.061 0.000 1.075 133 N HN 0.854 nan 8.380 nan 0.000 0.461 134 T N 3.294 117.803 114.554 -0.074 0.000 2.760 134 T HA -0.144 4.207 4.350 0.003 0.000 0.269 134 T C 1.452 176.132 174.700 -0.033 0.000 1.047 134 T CA 1.514 63.598 62.100 -0.026 0.000 1.139 134 T CB 0.005 68.765 68.868 -0.181 0.000 0.855 134 T HN 0.584 nan 8.240 nan 0.000 0.471 135 K N 0.131 120.489 120.400 -0.071 0.000 2.362 135 K HA 0.112 4.433 4.320 0.003 0.000 0.200 135 K C 1.954 178.456 176.600 -0.164 0.000 1.046 135 K CA 0.661 56.905 56.287 -0.071 0.000 0.952 135 K CB -0.084 32.391 32.500 -0.042 0.000 0.753 135 K HN 0.411 nan 8.250 nan 0.000 0.466 136 L N -0.023 120.990 121.223 -0.351 0.000 2.418 136 L HA -0.005 4.337 4.340 0.003 0.000 0.218 136 L C 0.171 176.766 176.870 -0.459 0.000 1.125 136 L CA 0.195 54.665 54.840 -0.616 0.000 0.835 136 L CB -0.046 41.302 42.059 -1.184 0.000 0.953 136 L HN 0.033 nan 8.230 nan 0.000 0.454 137 Y N -0.138 120.085 120.300 -0.128 0.000 2.323 137 Y HA 0.129 4.680 4.550 0.003 0.000 0.331 137 Y C 1.245 177.126 175.900 -0.031 0.000 1.092 137 Y CA -0.858 57.211 58.100 -0.052 0.000 1.150 137 Y CB 1.056 39.494 38.460 -0.037 0.000 1.200 137 Y HN -0.168 nan 8.280 nan 0.000 0.472 138 K N 1.194 121.700 120.400 0.177 0.000 2.103 138 K HA -0.021 4.301 4.320 0.003 0.000 0.204 138 K C 0.039 176.677 176.600 0.063 0.000 1.052 138 K CA 1.094 57.435 56.287 0.091 0.000 0.945 138 K CB 0.177 32.724 32.500 0.078 0.000 0.722 138 K HN 0.700 nan 8.250 nan 0.000 0.443 139 S N -0.747 114.988 115.700 0.058 0.000 2.595 139 S HA 0.399 4.871 4.470 0.003 0.000 0.281 139 S C -0.440 174.123 174.600 -0.061 0.000 1.117 139 S CA -1.182 57.016 58.200 -0.003 0.000 0.873 139 S CB 1.962 65.165 63.200 0.005 0.000 1.108 139 S HN -0.103 nan 8.310 nan 0.000 0.477 140 V N 3.090 122.930 119.914 -0.123 0.000 2.655 140 V HA 0.256 4.378 4.120 0.003 0.000 0.300 140 V C 0.740 176.741 176.094 -0.155 0.000 1.044 140 V CA -0.470 61.730 62.300 -0.166 0.000 1.095 140 V CB -0.238 31.385 31.823 -0.334 0.000 0.952 140 V HN 0.776 nan 8.190 nan 0.000 0.485 141 R N 3.819 124.151 120.500 -0.280 0.000 2.502 141 R HA 0.283 4.625 4.340 0.003 0.000 0.292 141 R C -0.348 175.740 176.300 -0.354 0.000 0.998 141 R CA 0.186 56.037 56.100 -0.415 0.000 1.056 141 R CB -0.209 29.869 30.300 -0.370 0.000 0.939 141 R HN 0.740 nan 8.270 nan 0.000 0.411 142 I N 3.381 123.576 120.570 -0.624 0.000 2.530 142 I HA 0.460 4.631 4.170 0.003 0.000 0.297 142 I C -1.195 174.196 176.117 -1.211 0.000 1.011 142 I CA -0.874 59.955 61.300 -0.785 0.000 1.107 142 I CB 0.989 38.581 38.000 -0.680 0.000 1.285 142 I HN 0.303 nan 8.210 nan 0.000 0.436 143 F N 6.132 125.486 119.950 -0.993 0.000 2.565 143 F HA 0.540 5.069 4.527 0.003 0.000 0.313 143 F C -0.705 174.677 175.800 -0.697 0.000 1.091 143 F CA -0.452 57.072 58.000 -0.793 0.000 0.915 143 F CB 1.716 40.094 39.000 -1.037 0.000 1.208 143 F HN 0.172 nan 8.300 nan 0.000 0.453 144 F N 1.122 121.097 119.950 0.042 0.000 2.497 144 F HA 0.755 5.284 4.527 0.003 0.000 0.331 144 F C 0.596 176.438 175.800 0.069 0.000 1.060 144 F CA -1.146 56.904 58.000 0.082 0.000 0.989 144 F CB 0.843 39.838 39.000 -0.009 0.000 1.245 144 F HN 0.560 nan 8.300 nan 0.000 0.486 145 A N 1.053 123.820 122.820 -0.088 0.000 2.386 145 A HA 0.162 4.484 4.320 0.003 0.000 0.246 145 A C 0.894 178.222 177.584 -0.427 0.000 1.089 145 A CA -0.325 51.214 52.037 -0.830 0.000 0.790 145 A CB -0.085 18.362 19.000 -0.922 0.000 1.042 145 A HN 0.838 nan 8.150 nan 0.000 0.497 146 N N 0.658 119.031 118.700 -0.545 0.000 2.535 146 N HA -0.059 4.683 4.740 0.003 0.000 0.203 146 N C -0.103 175.187 175.510 -0.366 0.000 1.301 146 N CA 0.233 53.079 53.050 -0.339 0.000 0.859 146 N CB -0.546 37.788 38.487 -0.255 0.000 1.055 146 N HN 0.587 nan 8.380 nan 0.000 0.457 147 H N 0.030 118.952 119.070 -0.246 0.000 2.615 147 H HA 0.277 4.834 4.556 0.003 0.000 0.363 147 H C -0.006 174.976 175.328 -0.577 0.000 1.148 147 H CA 0.085 55.888 56.048 -0.409 0.000 1.401 147 H CB 0.882 30.389 29.762 -0.425 0.000 1.461 147 H HN 0.006 nan 8.280 nan 0.000 0.588 148 T N 3.266 117.485 114.554 -0.559 0.000 2.797 148 T HA 0.445 4.796 4.350 0.003 0.000 0.279 148 T C -0.869 173.412 174.700 -0.698 0.000 0.991 148 T CA -0.558 61.243 62.100 -0.498 0.000 0.979 148 T CB 0.253 68.963 68.868 -0.264 0.000 0.943 148 T HN 0.327 nan 8.240 nan 0.000 0.444 149 Y N 1.267 121.477 120.300 -0.150 0.000 2.396 149 Y HA 0.454 5.006 4.550 0.003 0.000 0.332 149 Y C 0.263 175.978 175.900 -0.308 0.000 1.034 149 Y CA -1.552 56.446 58.100 -0.170 0.000 1.057 149 Y CB 0.877 39.257 38.460 -0.134 0.000 1.220 149 Y HN 0.566 nan 8.280 nan 0.000 0.440 150 V N 0.987 120.779 119.914 -0.203 0.000 3.237 150 V HA 0.211 4.332 4.120 0.003 0.000 0.305 150 V C -2.068 173.939 176.094 -0.145 0.000 1.096 150 V CA -1.358 60.722 62.300 -0.368 0.000 1.130 150 V CB 0.770 32.373 31.823 -0.365 0.000 1.048 150 V HN 0.557 nan 8.190 nan 0.000 0.484 151 P HA -0.171 nan 4.420 nan 0.000 0.216 151 P C 1.840 179.120 177.300 -0.035 0.000 1.154 151 P CA 2.350 65.439 63.100 -0.019 0.000 0.865 151 P CB -0.099 31.629 31.700 0.048 0.000 0.789 152 S N -1.854 113.826 115.700 -0.033 0.000 2.603 152 S HA -0.030 4.442 4.470 0.003 0.000 0.229 152 S C 1.359 175.925 174.600 -0.058 0.000 0.972 152 S CA 0.710 58.888 58.200 -0.037 0.000 0.935 152 S CB -0.671 62.514 63.200 -0.024 0.000 0.769 152 S HN 0.087 nan 8.310 nan 0.000 0.536 153 E N 1.082 121.244 120.200 -0.063 0.000 2.562 153 E HA 0.147 4.499 4.350 0.003 0.000 0.214 153 E C -0.311 176.153 176.600 -0.227 0.000 0.979 153 E CA 0.094 56.456 56.400 -0.062 0.000 1.002 153 E CB 0.530 30.262 29.700 0.053 0.000 1.048 153 E HN 0.423 nan 8.360 nan 0.000 0.488 154 T N 4.058 118.469 114.554 -0.237 0.000 2.867 154 T HA 0.124 4.476 4.350 0.003 0.000 0.297 154 T C -2.397 172.069 174.700 -0.389 0.000 0.989 154 T CA -0.844 61.010 62.100 -0.409 0.000 1.159 154 T CB 0.557 69.312 68.868 -0.187 0.000 0.928 154 T HN -0.107 nan 8.240 nan 0.000 0.538 155 P HA 0.095 nan 4.420 nan 0.000 0.264 155 P C 0.625 177.842 177.300 -0.139 0.000 1.183 155 P CA -0.090 62.842 63.100 -0.281 0.000 0.763 155 P CB 0.378 31.930 31.700 -0.247 0.000 0.807 156 A N 6.365 129.130 122.820 -0.091 0.000 1.958 156 A HA -0.160 4.162 4.320 0.003 0.000 0.221 156 A C -0.469 177.100 177.584 -0.025 0.000 1.178 156 A CA 1.914 53.919 52.037 -0.053 0.000 0.642 156 A CB -2.253 16.724 19.000 -0.040 0.000 0.816 156 A HN 0.508 nan 8.150 nan 0.000 0.453 157 P HA 0.015 nan 4.420 nan 0.000 0.229 157 P C 0.937 178.305 177.300 0.112 0.000 1.160 157 P CA 0.642 63.773 63.100 0.052 0.000 0.777 157 P CB 0.054 31.811 31.700 0.096 0.000 0.814 158 L N -2.329 118.974 121.223 0.132 0.000 2.616 158 L HA 0.059 4.400 4.340 0.003 0.000 0.229 158 L C 1.949 178.925 176.870 0.176 0.000 1.110 158 L CA 0.051 55.066 54.840 0.292 0.000 0.884 158 L CB -0.350 41.879 42.059 0.282 0.000 1.115 158 L HN -0.191 nan 8.230 nan 0.000 0.481 159 V N -0.375 119.557 119.914 0.030 0.000 2.252 159 V HA -0.341 3.780 4.120 0.003 0.000 0.249 159 V C 2.662 178.752 176.094 -0.006 0.000 1.056 159 V CA 2.388 64.683 62.300 -0.008 0.000 1.022 159 V CB -0.352 31.447 31.823 -0.039 0.000 0.641 159 V HN 0.466 nan 8.190 nan 0.000 0.445 160 S N -1.592 114.064 115.700 -0.073 0.000 2.383 160 S HA -0.173 4.299 4.470 0.003 0.000 0.227 160 S C 1.937 176.525 174.600 -0.021 0.000 1.026 160 S CA 1.388 59.527 58.200 -0.102 0.000 0.981 160 S CB -0.358 62.714 63.200 -0.213 0.000 0.818 160 S HN 0.620 nan 8.310 nan 0.000 0.472 161 Y N 1.672 122.024 120.300 0.087 0.000 2.274 161 Y HA 0.051 4.603 4.550 0.003 0.000 0.290 161 Y C 2.533 178.557 175.900 0.206 0.000 1.145 161 Y CA 1.157 59.334 58.100 0.128 0.000 1.203 161 Y CB -0.542 37.988 38.460 0.118 0.000 0.984 161 Y HN 0.234 nan 8.280 nan 0.000 0.533 162 R N 0.376 121.058 120.500 0.304 0.000 2.066 162 R HA -0.191 4.151 4.340 0.003 0.000 0.232 162 R C 2.130 178.463 176.300 0.055 0.000 1.131 162 R CA 1.765 57.926 56.100 0.103 0.000 0.955 162 R CB -0.129 30.146 30.300 -0.043 0.000 0.851 162 R HN 0.189 nan 8.270 nan 0.000 0.432 163 E N 0.524 120.752 120.200 0.047 0.000 2.152 163 E HA -0.144 4.207 4.350 0.003 0.000 0.192 163 E C 1.588 178.211 176.600 0.039 0.000 0.983 163 E CA 1.261 57.675 56.400 0.024 0.000 0.818 163 E CB 0.076 29.779 29.700 0.005 0.000 0.758 163 E HN 0.286 nan 8.360 nan 0.000 0.467 164 E N 0.307 120.549 120.200 0.070 0.000 2.106 164 E HA -0.175 4.176 4.350 0.003 0.000 0.192 164 E C 1.903 178.550 176.600 0.078 0.000 0.984 164 E CA 1.209 57.654 56.400 0.074 0.000 0.806 164 E CB -0.182 29.581 29.700 0.104 0.000 0.750 164 E HN 0.334 nan 8.360 nan 0.000 0.458 165 E N 1.064 121.328 120.200 0.105 0.000 2.106 165 E HA -0.093 4.258 4.350 0.003 0.000 0.192 165 E C 2.138 178.763 176.600 0.041 0.000 0.984 165 E CA 0.695 57.143 56.400 0.080 0.000 0.806 165 E CB -0.274 29.510 29.700 0.140 0.000 0.750 165 E HN 0.176 nan 8.360 nan 0.000 0.458 166 L N 0.234 121.470 121.223 0.022 0.000 2.027 166 L HA -0.152 4.189 4.340 0.003 0.000 0.206 166 L C 2.505 179.367 176.870 -0.013 0.000 1.074 166 L CA 1.515 56.347 54.840 -0.012 0.000 0.745 166 L CB -0.383 41.658 42.059 -0.030 0.000 0.898 166 L HN 0.102 nan 8.230 nan 0.000 0.433 167 K N -0.603 119.799 120.400 0.004 0.000 2.063 167 K HA -0.202 4.120 4.320 0.003 0.000 0.208 167 K C 2.390 179.004 176.600 0.023 0.000 1.048 167 K CA 1.677 57.969 56.287 0.009 0.000 0.928 167 K CB -0.278 32.234 32.500 0.020 0.000 0.713 167 K HN 0.140 nan 8.250 nan 0.000 0.442 168 S N 1.123 116.844 115.700 0.035 0.000 2.368 168 S HA -0.082 4.389 4.470 0.003 0.000 0.225 168 S C 1.911 176.551 174.600 0.066 0.000 1.030 168 S CA 0.925 59.152 58.200 0.045 0.000 0.999 168 S CB -0.172 63.052 63.200 0.039 0.000 0.844 168 S HN 0.206 nan 8.310 nan 0.000 0.459 169 L N 0.659 121.927 121.223 0.075 0.000 2.191 169 L HA -0.005 4.337 4.340 0.003 0.000 0.212 169 L C 2.796 179.751 176.870 0.142 0.000 1.103 169 L CA 1.081 56.007 54.840 0.143 0.000 0.769 169 L CB -0.328 41.799 42.059 0.114 0.000 0.908 169 L HN 0.264 nan 8.230 nan 0.000 0.438 170 R N -0.229 120.305 120.500 0.057 0.000 2.193 170 R HA 0.097 4.438 4.340 0.003 0.000 0.213 170 R C 1.190 177.516 176.300 0.043 0.000 1.055 170 R CA 0.477 56.599 56.100 0.037 0.000 0.995 170 R CB -0.147 30.144 30.300 -0.014 0.000 0.893 170 R HN 0.425 nan 8.270 nan 0.000 0.459 171 G N 1.741 110.566 108.800 0.041 0.000 2.641 171 G HA2 -0.363 3.599 3.960 0.003 0.000 0.254 171 G HA3 -0.363 3.599 3.960 0.003 0.000 0.254 171 G C -0.116 174.795 174.900 0.019 0.000 1.315 171 G CA 0.281 45.395 45.100 0.024 0.000 0.907 171 G HN 0.550 nan 8.290 nan 0.000 0.572 172 N N -0.244 118.459 118.700 0.006 0.000 2.235 172 N HA 0.478 5.219 4.740 0.003 0.000 0.231 172 N C 1.504 177.017 175.510 0.005 0.000 1.177 172 N CA 1.074 54.129 53.050 0.009 0.000 0.874 172 N CB 0.702 39.191 38.487 0.003 0.000 1.097 172 N HN 2.351 nan 8.380 nan 0.000 0.518 173 G N -0.497 108.304 108.800 0.001 0.000 2.168 173 G HA2 -0.300 3.662 3.960 0.003 0.000 0.263 173 G HA3 -0.300 3.662 3.960 0.003 0.000 0.263 173 G C 0.150 175.035 174.900 -0.025 0.000 0.977 173 G CA 0.928 46.027 45.100 -0.002 0.000 0.659 173 G HN 0.964 nan 8.290 nan 0.000 0.533 174 T N -3.056 111.474 114.554 -0.040 0.000 2.865 174 T HA 0.917 5.268 4.350 0.003 0.000 0.294 174 T C 0.415 175.066 174.700 -0.083 0.000 1.119 174 T CA 0.365 62.432 62.100 -0.055 0.000 1.007 174 T CB 2.257 71.101 68.868 -0.040 0.000 1.225 174 T HN 2.361 nan 8.240 nan 0.000 0.515 175 G N 0.516 109.259 108.800 -0.095 0.000 2.692 175 G HA2 0.053 4.015 3.960 0.003 0.000 0.686 175 G HA3 0.053 4.015 3.960 0.003 0.000 0.686 175 G C -0.651 174.143 174.900 -0.177 0.000 1.243 175 G CA -0.348 44.679 45.100 -0.121 0.000 0.782 175 G HN 1.152 nan 8.290 nan 0.000 0.625 176 E N 1.526 121.615 120.200 -0.185 0.000 2.180 176 E HA 0.370 4.721 4.350 0.003 0.000 0.283 176 E C 0.794 177.188 176.600 -0.344 0.000 1.061 176 E CA -0.792 55.465 56.400 -0.238 0.000 0.861 176 E CB 0.409 29.995 29.700 -0.189 0.000 1.056 176 E HN 0.449 nan 8.360 nan 0.000 0.407 177 R N 3.823 124.011 120.500 -0.520 0.000 2.590 177 R HA 0.170 4.511 4.340 0.003 0.000 0.274 177 R C -0.045 175.824 176.300 -0.718 0.000 1.061 177 R CA -0.048 55.528 56.100 -0.873 0.000 1.081 177 R CB 0.469 29.657 30.300 -1.854 0.000 0.984 177 R HN 0.487 nan 8.270 nan 0.000 0.448 178 K N 1.778 121.773 120.400 -0.675 0.000 2.166 178 K HA 0.103 4.425 4.320 0.003 0.000 0.245 178 K C 1.019 177.308 176.600 -0.519 0.000 0.967 178 K CA -0.664 55.247 56.287 -0.626 0.000 0.863 178 K CB 1.361 33.282 32.500 -0.965 0.000 1.107 178 K HN 0.568 nan 8.250 nan 0.000 0.436 179 E N 0.968 120.905 120.200 -0.437 0.000 2.114 179 E HA -0.261 4.091 4.350 0.003 0.000 0.199 179 E C 1.016 177.387 176.600 -0.381 0.000 1.008 179 E CA 2.059 58.302 56.400 -0.262 0.000 0.810 179 E CB -0.066 29.540 29.700 -0.157 0.000 0.739 179 E HN 0.595 nan 8.360 nan 0.000 0.456 180 Y N 0.020 120.048 120.300 -0.453 0.000 2.511 180 Y HA 0.272 4.823 4.550 0.003 0.000 0.279 180 Y C 0.196 175.971 175.900 -0.208 0.000 1.157 180 Y CA -0.462 57.200 58.100 -0.729 0.000 1.300 180 Y CB -0.324 37.337 38.460 -1.331 0.000 1.052 180 Y HN -0.232 nan 8.280 nan 0.000 0.529 181 D N 1.997 122.280 120.400 -0.195 0.000 2.382 181 D HA 0.119 4.761 4.640 0.003 0.000 0.240 181 D C 0.101 176.491 176.300 0.150 0.000 1.146 181 D CA 0.171 54.195 54.000 0.040 0.000 0.897 181 D CB 0.653 41.387 40.800 -0.109 0.000 1.197 181 D HN 0.350 nan 8.370 nan 0.000 0.432 182 R N 1.115 121.705 120.500 0.150 0.000 2.772 182 R HA 0.351 4.693 4.340 0.003 0.000 0.358 182 R C -0.496 175.886 176.300 0.137 0.000 1.143 182 R CA -0.282 55.892 56.100 0.124 0.000 1.153 182 R CB 0.306 30.725 30.300 0.198 0.000 1.329 182 R HN 0.294 nan 8.270 nan 0.000 0.615 183 I N 1.386 122.006 120.570 0.082 0.000 2.312 183 I HA 0.259 4.431 4.170 0.003 0.000 0.290 183 I C -0.644 175.473 176.117 -0.000 0.000 1.008 183 I CA -0.803 60.549 61.300 0.086 0.000 1.226 183 I CB 0.797 38.805 38.000 0.013 0.000 1.371 183 I HN 0.073 nan 8.210 nan 0.000 0.468 184 Y N 4.834 125.138 120.300 0.007 0.000 2.335 184 Y HA 0.498 5.049 4.550 0.003 0.000 0.339 184 Y C 0.069 175.880 175.900 -0.147 0.000 0.987 184 Y CA -0.393 57.670 58.100 -0.063 0.000 1.140 184 Y CB 0.934 39.362 38.460 -0.053 0.000 1.173 184 Y HN 0.471 nan 8.280 nan 0.000 0.486 185 D N 0.855 121.187 120.400 -0.113 0.000 2.643 185 D HA 0.318 4.960 4.640 0.003 0.000 0.283 185 D C -1.572 174.519 176.300 -0.348 0.000 1.242 185 D CA -0.733 53.131 54.000 -0.226 0.000 0.863 185 D CB 1.504 42.271 40.800 -0.055 0.000 1.382 185 D HN 0.279 nan 8.370 nan 0.000 0.444 186 Y N 0.225 120.524 120.300 -0.002 0.000 2.496 186 Y HA 0.600 5.151 4.550 0.003 0.000 0.331 186 Y C 0.409 176.278 175.900 -0.052 0.000 1.140 186 Y CA -0.492 57.585 58.100 -0.039 0.000 1.166 186 Y CB 1.389 39.816 38.460 -0.056 0.000 1.249 186 Y HN 0.113 nan 8.280 nan 0.000 0.479 187 D N -0.646 119.818 120.400 0.106 0.000 2.653 187 D HA 0.351 4.992 4.640 0.003 0.000 0.258 187 D C -1.271 175.037 176.300 0.012 0.000 1.252 187 D CA -0.451 53.565 54.000 0.026 0.000 0.777 187 D CB 2.126 42.903 40.800 -0.039 0.000 1.339 187 D HN 0.391 nan 8.370 nan 0.000 0.422 188 V N -0.077 119.852 119.914 0.025 0.000 3.336 188 V HA 0.435 4.557 4.120 0.003 0.000 0.304 188 V C 0.047 176.174 176.094 0.055 0.000 1.073 188 V CA -0.171 62.184 62.300 0.092 0.000 1.074 188 V CB 0.381 32.261 31.823 0.096 0.000 1.161 188 V HN 0.489 nan 8.190 nan 0.000 0.460 189 Y N 2.927 123.243 120.300 0.026 0.000 2.636 189 Y HA 0.304 4.856 4.550 0.003 0.000 0.334 189 Y C 1.194 177.052 175.900 -0.069 0.000 1.286 189 Y CA -0.464 57.630 58.100 -0.008 0.000 1.688 189 Y CB -0.500 37.937 38.460 -0.038 0.000 1.662 189 Y HN 0.846 nan 8.280 nan 0.000 0.465 190 N N -0.196 118.515 118.700 0.019 0.000 2.235 190 N HA -0.018 4.724 4.740 0.003 0.000 0.231 190 N C -0.085 175.403 175.510 -0.037 0.000 1.177 190 N CA 0.044 53.084 53.050 -0.017 0.000 0.874 190 N CB 0.100 38.572 38.487 -0.024 0.000 1.097 190 N HN 0.469 nan 8.380 nan 0.000 0.518 191 D N -0.092 120.292 120.400 -0.027 0.000 2.440 191 D HA 0.110 4.752 4.640 0.003 0.000 0.216 191 D C 1.107 177.444 176.300 0.062 0.000 1.150 191 D CA -0.310 53.675 54.000 -0.026 0.000 0.832 191 D CB -0.142 40.593 40.800 -0.108 0.000 0.992 191 D HN 0.192 nan 8.370 nan 0.000 0.502 192 L N 0.005 121.248 121.223 0.034 0.000 2.253 192 L HA 0.282 4.623 4.340 0.003 0.000 0.205 192 L C 1.624 178.479 176.870 -0.025 0.000 1.078 192 L CA 0.459 55.307 54.840 0.013 0.000 0.805 192 L CB -0.327 41.713 42.059 -0.032 0.000 0.963 192 L HN 0.048 nan 8.230 nan 0.000 0.459 193 G N -0.262 108.513 108.800 -0.042 0.000 2.572 193 G HA2 0.072 4.033 3.960 0.003 0.000 0.261 193 G HA3 0.072 4.033 3.960 0.003 0.000 0.261 193 G C -0.300 174.582 174.900 -0.029 0.000 1.197 193 G CA -0.128 44.941 45.100 -0.051 0.000 0.870 193 G HN 0.128 nan 8.290 nan 0.000 0.548 194 N N 0.464 119.144 118.700 -0.033 0.000 2.672 194 N HA 0.247 4.989 4.740 0.003 0.000 0.295 194 N C -1.385 174.109 175.510 -0.027 0.000 1.924 194 N CA -1.662 51.374 53.050 -0.022 0.000 0.851 194 N CB 1.464 39.940 38.487 -0.018 0.000 1.281 194 N HN 0.153 nan 8.380 nan 0.000 0.494 195 P HA -0.093 nan 4.420 nan 0.000 0.218 195 P C 0.393 177.679 177.300 -0.023 0.000 1.148 195 P CA 1.079 64.163 63.100 -0.027 0.000 0.822 195 P CB 0.567 32.251 31.700 -0.027 0.000 0.784 196 D N -0.199 120.188 120.400 -0.022 0.000 2.264 196 D HA -0.114 4.527 4.640 0.003 0.000 0.208 196 D C 2.019 178.309 176.300 -0.017 0.000 0.966 196 D CA 1.011 55.000 54.000 -0.019 0.000 0.864 196 D CB -0.299 40.489 40.800 -0.020 0.000 0.933 196 D HN 0.314 nan 8.370 nan 0.000 0.499 197 K N -0.603 119.786 120.400 -0.018 0.000 2.166 197 K HA 0.023 4.345 4.320 0.003 0.000 0.201 197 K C 0.068 176.657 176.600 -0.019 0.000 1.052 197 K CA 0.387 56.664 56.287 -0.017 0.000 0.969 197 K CB 0.459 32.948 32.500 -0.017 0.000 0.761 197 K HN -0.008 nan 8.250 nan 0.000 0.459 198 S N -0.761 114.926 115.700 -0.022 0.000 2.578 198 S HA 0.110 4.582 4.470 0.003 0.000 0.285 198 S C -0.375 174.210 174.600 -0.025 0.000 1.126 198 S CA -0.717 57.469 58.200 -0.022 0.000 0.878 198 S CB 1.461 64.647 63.200 -0.024 0.000 1.091 198 S HN 0.288 nan 8.310 nan 0.000 0.450 199 E N 2.125 122.311 120.200 -0.022 0.000 2.209 199 E HA -0.124 4.228 4.350 0.003 0.000 0.196 199 E C 1.257 177.839 176.600 -0.030 0.000 0.993 199 E CA 1.015 57.401 56.400 -0.022 0.000 0.819 199 E CB -0.001 29.690 29.700 -0.015 0.000 0.745 199 E HN 0.536 nan 8.360 nan 0.000 0.477 200 K N 0.232 120.612 120.400 -0.033 0.000 2.283 200 K HA -0.067 4.254 4.320 0.003 0.000 0.202 200 K C 1.515 178.079 176.600 -0.060 0.000 1.048 200 K CA 0.640 56.901 56.287 -0.044 0.000 0.948 200 K CB 0.098 32.574 32.500 -0.041 0.000 0.742 200 K HN 0.185 nan 8.250 nan 0.000 0.458 201 L N 0.657 121.848 121.223 -0.053 0.000 2.628 201 L HA 0.183 4.524 4.340 0.003 0.000 0.229 201 L C 0.566 177.398 176.870 -0.063 0.000 1.137 201 L CA -0.617 54.186 54.840 -0.062 0.000 0.909 201 L CB 0.147 42.177 42.059 -0.049 0.000 1.137 201 L HN -0.031 nan 8.230 nan 0.000 0.470 202 A N 1.031 123.816 122.820 -0.058 0.000 2.440 202 A HA 0.567 4.888 4.320 0.003 0.000 0.251 202 A C 0.065 177.602 177.584 -0.077 0.000 1.089 202 A CA -0.063 51.941 52.037 -0.056 0.000 0.779 202 A CB 0.285 19.262 19.000 -0.038 0.000 1.022 202 A HN 0.185 nan 8.150 nan 0.000 0.492 203 R N 1.894 122.340 120.500 -0.090 0.000 2.744 203 R HA 0.535 4.877 4.340 0.003 0.000 0.279 203 R C -2.856 173.353 176.300 -0.152 0.000 0.977 203 R CA -1.838 54.184 56.100 -0.131 0.000 0.906 203 R CB 1.322 31.531 30.300 -0.151 0.000 1.197 203 R HN 0.685 nan 8.270 nan 0.000 0.463 204 P HA 0.116 nan 4.420 nan 0.000 0.271 204 P C -0.149 176.963 177.300 -0.313 0.000 1.218 204 P CA -0.361 62.559 63.100 -0.299 0.000 0.780 204 P CB 0.708 32.016 31.700 -0.653 0.000 0.901 205 V N 3.748 123.559 119.914 -0.170 0.000 2.572 205 V HA 0.021 4.143 4.120 0.003 0.000 0.291 205 V C 0.787 176.797 176.094 -0.140 0.000 1.039 205 V CA 0.058 62.299 62.300 -0.099 0.000 1.055 205 V CB 0.065 31.885 31.823 -0.004 0.000 0.969 205 V HN 0.340 nan 8.190 nan 0.000 0.482 206 L N 5.390 126.526 121.223 -0.145 0.000 2.280 206 L HA 0.829 5.171 4.340 0.003 0.000 0.287 206 L C 0.533 177.447 176.870 0.074 0.000 1.023 206 L CA -0.077 54.650 54.840 -0.188 0.000 0.819 206 L CB 1.137 42.784 42.059 -0.687 0.000 1.212 206 L HN 0.931 nan 8.230 nan 0.000 0.420 207 G N 1.229 110.146 108.800 0.195 0.000 2.640 207 G HA2 0.320 4.282 3.960 0.003 0.000 0.686 207 G HA3 0.320 4.282 3.960 0.003 0.000 0.686 207 G C 0.266 175.270 174.900 0.174 0.000 1.229 207 G CA -0.296 44.943 45.100 0.233 0.000 0.796 207 G HN 1.059 nan 8.290 nan 0.000 0.654 208 G N -1.319 107.571 108.800 0.150 0.000 2.159 208 G HA2 0.249 4.211 3.960 0.003 0.000 0.256 208 G HA3 0.249 4.211 3.960 0.003 0.000 0.256 208 G C 0.815 175.780 174.900 0.109 0.000 0.977 208 G CA 1.618 46.782 45.100 0.105 0.000 0.652 208 G HN 2.791 nan 8.290 nan 0.000 0.531 209 S N -1.695 114.092 115.700 0.145 0.000 2.651 209 S HA 0.777 5.249 4.470 0.003 0.000 0.279 209 S C 1.106 175.772 174.600 0.111 0.000 1.148 209 S CA 0.690 58.962 58.200 0.119 0.000 0.837 209 S CB 1.485 64.769 63.200 0.139 0.000 1.138 209 S HN 1.338 nan 8.310 nan 0.000 0.478 210 S N 0.235 115.970 115.700 0.059 0.000 2.436 210 S HA -0.016 4.455 4.470 0.003 0.000 0.228 210 S C 1.482 176.075 174.600 -0.012 0.000 1.014 210 S CA 1.169 59.393 58.200 0.041 0.000 0.950 210 S CB -1.111 62.100 63.200 0.018 0.000 0.784 210 S HN 0.750 nan 8.310 nan 0.000 0.504 211 T N 1.361 115.861 114.554 -0.091 0.000 2.737 211 T HA 0.148 4.499 4.350 0.003 0.000 0.265 211 T C -0.168 174.244 174.700 -0.480 0.000 1.038 211 T CA 0.961 62.848 62.100 -0.355 0.000 1.144 211 T CB -0.335 68.235 68.868 -0.497 0.000 0.866 211 T HN 0.469 nan 8.240 nan 0.000 0.434 212 F N 2.533 122.546 119.950 0.104 0.000 2.550 212 F HA 0.363 4.891 4.527 0.003 0.000 0.348 212 F C -2.455 173.452 175.800 0.178 0.000 1.219 212 F CA -3.299 54.774 58.000 0.121 0.000 1.203 212 F CB 0.912 39.946 39.000 0.056 0.000 1.436 212 F HN -0.071 nan 8.300 nan 0.000 0.541 213 P HA 0.166 nan 4.420 nan 0.000 0.274 213 P C -1.154 176.505 177.300 0.598 0.000 1.231 213 P CA 0.002 63.377 63.100 0.458 0.000 0.790 213 P CB 1.739 33.706 31.700 0.446 0.000 0.951 214 Y N 0.595 120.993 120.300 0.164 0.000 2.583 214 Y HA 0.270 4.822 4.550 0.003 0.000 0.330 214 Y C -2.652 172.953 175.900 -0.492 0.000 1.185 214 Y CA -1.905 55.954 58.100 -0.402 0.000 1.107 214 Y CB 1.435 39.769 38.460 -0.211 0.000 1.344 214 Y HN 0.268 nan 8.280 nan 0.000 0.463 215 P HA 0.162 nan 4.420 nan 0.000 0.268 215 P C -0.583 176.565 177.300 -0.254 0.000 1.208 215 P CA -0.000 62.616 63.100 -0.806 0.000 0.777 215 P CB 0.557 31.659 31.700 -0.996 0.000 0.875 216 R N 2.140 122.519 120.500 -0.201 0.000 2.583 216 R HA 0.482 4.823 4.340 0.003 0.000 0.268 216 R C 0.738 177.077 176.300 0.065 0.000 1.101 216 R CA -0.325 55.795 56.100 0.033 0.000 1.180 216 R CB 0.474 30.795 30.300 0.034 0.000 1.128 216 R HN 0.616 nan 8.270 nan 0.000 0.568 217 R N -1.612 118.887 120.500 -0.001 0.000 2.905 217 R HA 0.544 4.886 4.340 0.003 0.000 0.260 217 R C -0.177 176.065 176.300 -0.096 0.000 1.086 217 R CA -0.783 55.250 56.100 -0.111 0.000 0.978 217 R CB -0.228 29.795 30.300 -0.462 0.000 1.215 217 R HN 0.599 nan 8.270 nan 0.000 0.480 218 G N 0.767 109.504 108.800 -0.105 0.000 2.313 218 G HA2 0.155 4.116 3.960 0.003 0.000 0.250 218 G HA3 0.155 4.116 3.960 0.003 0.000 0.250 218 G C -0.561 174.292 174.900 -0.078 0.000 1.281 218 G CA -0.454 44.585 45.100 -0.101 0.000 0.917 218 G HN 0.577 nan 8.290 nan 0.000 0.501 219 R N 1.215 121.676 120.500 -0.065 0.000 2.537 219 R HA 0.177 4.519 4.340 0.003 0.000 0.280 219 R C 1.350 177.625 176.300 -0.042 0.000 1.058 219 R CA 0.777 56.839 56.100 -0.064 0.000 1.057 219 R CB 0.445 30.708 30.300 -0.062 0.000 0.973 219 R HN 0.610 nan 8.270 nan 0.000 0.438 220 T N 0.163 114.652 114.554 -0.109 0.000 2.987 220 T HA 0.185 4.536 4.350 0.003 0.000 0.248 220 T C 1.272 175.817 174.700 -0.257 0.000 0.997 220 T CA 0.324 62.333 62.100 -0.153 0.000 1.013 220 T CB 0.375 69.139 68.868 -0.172 0.000 1.077 220 T HN 0.753 nan 8.240 nan 0.000 0.483 221 G N 2.420 111.097 108.800 -0.206 0.000 2.225 221 G HA2 -0.333 3.628 3.960 0.003 0.000 0.267 221 G HA3 -0.333 3.628 3.960 0.003 0.000 0.267 221 G C 0.886 175.673 174.900 -0.188 0.000 1.024 221 G CA 0.500 45.486 45.100 -0.189 0.000 0.784 221 G HN 0.554 nan 8.290 nan 0.000 0.507 222 R N 0.102 120.479 120.500 -0.204 0.000 2.241 222 R HA 0.278 4.619 4.340 0.003 0.000 0.224 222 R C 1.688 177.905 176.300 -0.139 0.000 1.101 222 R CA 1.029 57.018 56.100 -0.184 0.000 0.995 222 R CB -0.129 30.041 30.300 -0.216 0.000 0.870 222 R HN 1.665 nan 8.270 nan 0.000 0.463 223 G N 0.417 109.141 108.800 -0.127 0.000 2.612 223 G HA2 -0.147 3.815 3.960 0.003 0.000 0.686 223 G HA3 -0.147 3.815 3.960 0.003 0.000 0.686 223 G C -2.940 171.908 174.900 -0.086 0.000 1.274 223 G CA -1.265 43.778 45.100 -0.096 0.000 0.849 223 G HN -0.089 nan 8.290 nan 0.000 0.595 224 P HA 0.367 nan 4.420 nan 0.000 0.272 224 P C 0.928 178.197 177.300 -0.052 0.000 1.223 224 P CA 0.397 63.464 63.100 -0.055 0.000 0.784 224 P CB 0.525 32.199 31.700 -0.043 0.000 0.923 225 T N -1.838 112.688 114.554 -0.046 0.000 2.754 225 T HA 0.117 4.468 4.350 0.003 0.000 0.286 225 T C 1.296 175.977 174.700 -0.032 0.000 0.997 225 T CA -0.527 61.549 62.100 -0.039 0.000 0.982 225 T CB -0.056 68.790 68.868 -0.035 0.000 1.027 225 T HN 0.045 nan 8.240 nan 0.000 0.529 226 V N 1.287 121.184 119.914 -0.028 0.000 2.453 226 V HA -0.074 4.047 4.120 0.003 0.000 0.247 226 V C 2.954 179.036 176.094 -0.020 0.000 1.048 226 V CA 2.040 64.326 62.300 -0.023 0.000 1.049 226 V CB -1.212 30.598 31.823 -0.021 0.000 0.672 226 V HN 1.159 nan 8.190 nan 0.000 0.457 227 T N -3.072 111.470 114.554 -0.020 0.000 3.065 227 T HA 0.067 4.419 4.350 0.003 0.000 0.252 227 T C 0.357 175.047 174.700 -0.016 0.000 1.099 227 T CA 0.480 62.570 62.100 -0.017 0.000 1.063 227 T CB 0.140 68.999 68.868 -0.016 0.000 0.948 227 T HN 0.405 nan 8.240 nan 0.000 0.506 228 D N 1.287 121.675 120.400 -0.020 0.000 2.616 228 D HA 0.292 4.933 4.640 0.003 0.000 0.238 228 D C -2.326 173.961 176.300 -0.022 0.000 1.354 228 D CA -2.209 51.780 54.000 -0.018 0.000 0.970 228 D CB 2.239 43.027 40.800 -0.019 0.000 1.369 228 D HN -0.155 nan 8.370 nan 0.000 0.585 229 P HA -0.037 nan 4.420 nan 0.000 0.230 229 P C 0.245 177.532 177.300 -0.022 0.000 1.158 229 P CA 0.697 63.784 63.100 -0.021 0.000 0.769 229 P CB 0.309 32.000 31.700 -0.016 0.000 0.807 230 N N -1.216 117.473 118.700 -0.017 0.000 2.353 230 N HA 0.034 4.776 4.740 0.003 0.000 0.185 230 N C -0.058 175.437 175.510 -0.024 0.000 1.098 230 N CA 0.219 53.260 53.050 -0.015 0.000 0.872 230 N CB 0.187 38.673 38.487 -0.003 0.000 0.970 230 N HN 0.024 nan 8.380 nan 0.000 0.467 231 T N 0.538 115.073 114.554 -0.032 0.000 2.797 231 T HA 0.139 4.490 4.350 0.003 0.000 0.279 231 T C -0.443 174.224 174.700 -0.054 0.000 0.991 231 T CA -0.561 61.514 62.100 -0.041 0.000 0.979 231 T CB 2.297 71.142 68.868 -0.038 0.000 0.943 231 T HN 0.042 nan 8.240 nan 0.000 0.444 232 E N 3.054 123.211 120.200 -0.072 0.000 2.316 232 E HA 0.146 4.498 4.350 0.003 0.000 0.275 232 E C 0.349 176.889 176.600 -0.101 0.000 1.029 232 E CA -0.705 55.634 56.400 -0.101 0.000 0.871 232 E CB 0.555 30.168 29.700 -0.145 0.000 1.022 232 E HN 0.539 nan 8.360 nan 0.000 0.418 233 K N 3.778 124.118 120.400 -0.099 0.000 2.336 233 K HA 0.026 4.347 4.320 0.003 0.000 0.262 233 K C -0.003 176.537 176.600 -0.099 0.000 0.992 233 K CA -0.522 55.715 56.287 -0.082 0.000 0.927 233 K CB 0.513 32.970 32.500 -0.073 0.000 0.956 233 K HN 0.361 nan 8.250 nan 0.000 0.495 234 Q N -0.039 119.734 119.800 -0.046 0.000 2.474 234 Q HA 0.237 4.579 4.340 0.003 0.000 0.256 234 Q C 0.162 176.148 176.000 -0.024 0.000 1.048 234 Q CA 0.470 56.275 55.803 0.003 0.000 0.922 234 Q CB 1.208 29.966 28.738 0.035 0.000 1.288 234 Q HN 0.880 nan 8.270 nan 0.000 0.484 235 G N 0.220 109.058 108.800 0.064 0.000 2.733 235 G HA2 0.248 4.209 3.960 0.003 0.000 0.297 235 G HA3 0.248 4.209 3.960 0.003 0.000 0.297 235 G C -0.018 174.985 174.900 0.171 0.000 1.422 235 G CA -0.451 44.673 45.100 0.040 0.000 0.942 235 G HN 0.485 nan 8.290 nan 0.000 0.510 236 E N 0.191 120.447 120.200 0.093 0.000 2.152 236 E HA 0.008 4.360 4.350 0.003 0.000 0.192 236 E C 0.684 177.357 176.600 0.123 0.000 0.983 236 E CA 0.883 57.335 56.400 0.087 0.000 0.818 236 E CB 0.161 29.884 29.700 0.038 0.000 0.758 236 E HN 0.253 nan 8.360 nan 0.000 0.467 237 V N 1.437 121.439 119.914 0.147 0.000 2.531 237 V HA 0.280 4.402 4.120 0.003 0.000 0.301 237 V C -0.971 175.287 176.094 0.273 0.000 1.034 237 V CA -0.803 61.598 62.300 0.168 0.000 0.865 237 V CB 1.336 33.202 31.823 0.071 0.000 0.995 237 V HN -0.037 nan 8.190 nan 0.000 0.424 238 F N 4.710 124.646 119.950 -0.024 0.000 2.390 238 F HA 0.377 4.906 4.527 0.003 0.000 0.361 238 F C 0.184 175.981 175.800 -0.005 0.000 1.124 238 F CA -1.042 56.948 58.000 -0.016 0.000 1.149 238 F CB 0.397 39.376 39.000 -0.034 0.000 1.160 238 F HN 0.587 nan 8.300 nan 0.000 0.501 239 Y N 4.941 125.220 120.300 -0.036 0.000 2.578 239 Y HA 0.429 4.981 4.550 0.003 0.000 0.339 239 Y C -0.504 175.337 175.900 -0.099 0.000 1.231 239 Y CA -0.647 57.394 58.100 -0.099 0.000 1.461 239 Y CB 0.582 38.936 38.460 -0.176 0.000 1.323 239 Y HN 0.350 nan 8.280 nan 0.000 0.590 240 V N 3.070 122.363 119.914 -1.035 0.000 2.971 240 V HA 0.581 4.702 4.120 0.003 0.000 0.309 240 V C -2.934 172.272 176.094 -1.480 0.000 1.130 240 V CA -3.039 58.622 62.300 -1.064 0.000 0.964 240 V CB 1.623 33.181 31.823 -0.442 0.000 1.029 240 V HN 0.686 nan 8.190 nan 0.000 0.427 241 P HA 0.093 nan 4.420 nan 0.000 0.261 241 P C 0.642 177.690 177.300 -0.419 0.000 1.173 241 P CA 0.309 62.930 63.100 -0.799 0.000 0.760 241 P CB 0.517 31.487 31.700 -1.218 0.000 0.783 242 R N 4.014 124.409 120.500 -0.175 0.000 2.159 242 R HA -0.232 4.110 4.340 0.003 0.000 0.249 242 R C 1.059 177.444 176.300 0.140 0.000 1.136 242 R CA 2.171 58.270 56.100 -0.000 0.000 0.951 242 R CB -1.165 29.228 30.300 0.155 0.000 0.876 242 R HN 0.459 nan 8.270 nan 0.000 0.440 243 D N 0.065 120.600 120.400 0.225 0.000 2.371 243 D HA -0.069 4.573 4.640 0.003 0.000 0.221 243 D C 1.156 177.583 176.300 0.211 0.000 0.986 243 D CA 0.476 54.677 54.000 0.335 0.000 0.899 243 D CB 0.060 41.089 40.800 0.381 0.000 0.902 243 D HN 0.329 nan 8.370 nan 0.000 0.530 244 E N 0.425 120.667 120.200 0.070 0.000 2.285 244 E HA -0.064 4.287 4.350 0.003 0.000 0.194 244 E C 0.683 177.298 176.600 0.026 0.000 0.997 244 E CA 0.186 56.606 56.400 0.033 0.000 0.845 244 E CB -0.251 29.399 29.700 -0.083 0.000 0.782 244 E HN 0.124 nan 8.360 nan 0.000 0.491 245 N N 1.541 120.248 118.700 0.011 0.000 2.555 245 N HA 0.037 4.779 4.740 0.003 0.000 0.244 245 N C -0.635 174.901 175.510 0.043 0.000 1.114 245 N CA -0.023 53.029 53.050 0.002 0.000 0.963 245 N CB -0.162 38.291 38.487 -0.056 0.000 1.276 245 N HN -0.047 nan 8.380 nan 0.000 0.510 246 L N 1.934 123.167 121.223 0.016 0.000 2.513 246 L HA 0.239 4.581 4.340 0.003 0.000 0.272 246 L C 1.470 178.199 176.870 -0.237 0.000 1.187 246 L CA -0.438 54.343 54.840 -0.097 0.000 0.895 246 L CB 0.119 42.091 42.059 -0.144 0.000 1.147 246 L HN 0.452 nan 8.230 nan 0.000 0.483 247 G N 2.601 111.272 108.800 -0.215 0.000 2.528 247 G HA2 0.453 4.414 3.960 0.003 0.000 0.289 247 G HA3 0.453 4.414 3.960 0.003 0.000 0.289 247 G C -0.669 173.948 174.900 -0.472 0.000 1.192 247 G CA -0.360 44.647 45.100 -0.155 0.000 0.921 247 G HN 0.651 nan 8.290 nan 0.000 0.512 248 H N 0.132 119.227 119.070 0.042 0.000 2.894 248 H HA 0.226 4.783 4.556 0.003 0.000 0.367 248 H C 0.726 176.076 175.328 0.038 0.000 1.144 248 H CA -0.578 55.488 56.048 0.031 0.000 1.180 248 H CB 2.312 32.096 29.762 0.036 0.000 1.758 248 H HN 0.254 nan 8.280 nan 0.000 0.541 249 L N 0.733 122.042 121.223 0.143 0.000 2.141 249 L HA -0.021 4.320 4.340 0.003 0.000 0.209 249 L C 0.477 177.409 176.870 0.103 0.000 1.094 249 L CA 1.409 56.310 54.840 0.102 0.000 0.763 249 L CB -0.033 42.073 42.059 0.078 0.000 0.908 249 L HN 0.201 nan 8.230 nan 0.000 0.437 250 K N -0.774 119.694 120.400 0.113 0.000 2.307 250 K HA 0.181 4.503 4.320 0.003 0.000 0.263 250 K C 0.766 177.404 176.600 0.063 0.000 0.973 250 K CA -0.190 56.141 56.287 0.074 0.000 0.846 250 K CB 2.135 34.666 32.500 0.053 0.000 1.100 250 K HN -0.254 nan 8.250 nan 0.000 0.438 251 S N 2.929 118.659 115.700 0.049 0.000 2.402 251 S HA -0.182 4.290 4.470 0.003 0.000 0.233 251 S C 1.594 176.185 174.600 -0.015 0.000 1.030 251 S CA 1.699 59.917 58.200 0.031 0.000 1.003 251 S CB -0.024 63.193 63.200 0.029 0.000 0.813 251 S HN 0.683 nan 8.310 nan 0.000 0.477 252 K N -0.047 120.343 120.400 -0.017 0.000 2.360 252 K HA -0.074 4.247 4.320 0.003 0.000 0.201 252 K C 0.775 177.328 176.600 -0.078 0.000 1.046 252 K CA 1.557 57.822 56.287 -0.037 0.000 0.945 252 K CB -0.233 32.256 32.500 -0.019 0.000 0.750 252 K HN 0.221 nan 8.250 nan 0.000 0.464 253 D N 1.247 121.573 120.400 -0.123 0.000 2.349 253 D HA 0.062 4.703 4.640 0.003 0.000 0.215 253 D C 0.451 176.368 176.300 -0.639 0.000 1.016 253 D CA 0.424 54.264 54.000 -0.266 0.000 0.870 253 D CB 0.420 41.116 40.800 -0.174 0.000 0.917 253 D HN 0.372 nan 8.370 nan 0.000 0.524 254 A N 0.874 123.420 122.820 -0.458 0.000 3.033 254 A HA 0.153 4.475 4.320 0.003 0.000 0.250 254 A C 1.730 179.227 177.584 -0.144 0.000 1.633 254 A CA -0.168 51.662 52.037 -0.346 0.000 1.290 254 A CB -1.018 17.967 19.000 -0.024 0.000 1.048 254 A HN 0.180 nan 8.150 nan 0.000 0.648 255 L N 0.231 121.365 121.223 -0.149 0.000 2.089 255 L HA -0.265 4.077 4.340 0.003 0.000 0.213 255 L C 2.841 179.716 176.870 0.008 0.000 1.079 255 L CA 1.850 56.666 54.840 -0.040 0.000 0.758 255 L CB -0.438 41.622 42.059 0.002 0.000 0.891 255 L HN 0.754 nan 8.230 nan 0.000 0.433 256 E N 1.400 121.620 120.200 0.034 0.000 2.209 256 E HA -0.254 4.098 4.350 0.003 0.000 0.196 256 E C 1.959 178.575 176.600 0.028 0.000 0.993 256 E CA 1.889 58.324 56.400 0.057 0.000 0.819 256 E CB -0.633 29.122 29.700 0.091 0.000 0.745 256 E HN 0.812 nan 8.360 nan 0.000 0.477 257 I N -1.667 118.913 120.570 0.017 0.000 3.111 257 I HA 0.187 4.358 4.170 0.003 0.000 0.272 257 I C 2.192 178.305 176.117 -0.007 0.000 1.268 257 I CA 0.831 62.132 61.300 0.002 0.000 1.467 257 I CB -0.451 37.553 38.000 0.007 0.000 1.087 257 I HN -0.032 nan 8.210 nan 0.000 0.467 258 G N 2.180 110.978 108.800 -0.003 0.000 2.440 258 G HA2 -0.315 3.646 3.960 0.003 0.000 0.218 258 G HA3 -0.315 3.646 3.960 0.003 0.000 0.218 258 G C 1.724 176.625 174.900 0.002 0.000 1.154 258 G CA 1.782 46.880 45.100 -0.002 0.000 0.767 258 G HN 0.555 nan 8.290 nan 0.000 0.552 259 T N -0.575 113.979 114.554 -0.000 0.000 2.746 259 T HA -0.087 4.264 4.350 0.003 0.000 0.267 259 T C 2.130 176.810 174.700 -0.032 0.000 1.039 259 T CA 1.651 63.745 62.100 -0.010 0.000 1.142 259 T CB -0.198 68.653 68.868 -0.029 0.000 0.866 259 T HN 0.385 nan 8.240 nan 0.000 0.444 260 K N 0.993 121.365 120.400 -0.047 0.000 2.026 260 K HA -0.063 4.259 4.320 0.003 0.000 0.208 260 K C 2.663 179.238 176.600 -0.043 0.000 1.048 260 K CA 1.465 57.715 56.287 -0.063 0.000 0.929 260 K CB -0.288 32.172 32.500 -0.068 0.000 0.713 260 K HN 0.331 nan 8.250 nan 0.000 0.439 261 S N 1.226 116.908 115.700 -0.029 0.000 2.368 261 S HA -0.149 4.322 4.470 0.003 0.000 0.225 261 S C 1.726 176.312 174.600 -0.024 0.000 1.030 261 S CA 1.089 59.273 58.200 -0.026 0.000 0.999 261 S CB -0.273 62.916 63.200 -0.019 0.000 0.844 261 S HN 0.253 nan 8.310 nan 0.000 0.459 262 L N 1.508 122.728 121.223 -0.004 0.000 2.017 262 L HA -0.014 4.328 4.340 0.003 0.000 0.208 262 L C 2.456 179.331 176.870 0.008 0.000 1.073 262 L CA 1.903 56.755 54.840 0.019 0.000 0.745 262 L CB -1.029 41.070 42.059 0.067 0.000 0.894 262 L HN 0.276 nan 8.230 nan 0.000 0.432 263 S N -1.460 114.237 115.700 -0.005 0.000 2.368 263 S HA -0.190 4.282 4.470 0.003 0.000 0.224 263 S C 1.927 176.512 174.600 -0.026 0.000 1.029 263 S CA 1.477 59.668 58.200 -0.015 0.000 0.988 263 S CB -0.123 63.053 63.200 -0.041 0.000 0.838 263 S HN 0.660 nan 8.310 nan 0.000 0.462 264 Q N -0.643 119.135 119.800 -0.036 0.000 2.250 264 Q HA 0.246 4.588 4.340 0.003 0.000 0.200 264 Q C 1.735 177.712 176.000 -0.039 0.000 0.941 264 Q CA 0.996 56.777 55.803 -0.037 0.000 0.872 264 Q CB 0.175 28.889 28.738 -0.040 0.000 0.965 264 Q HN 0.571 nan 8.270 nan 0.000 0.480 265 I N -1.569 118.972 120.570 -0.049 0.000 3.366 265 I HA -0.065 4.106 4.170 0.003 0.000 0.267 265 I C 1.804 177.856 176.117 -0.108 0.000 1.149 265 I CA 0.212 61.473 61.300 -0.064 0.000 1.436 265 I CB 0.287 38.252 38.000 -0.059 0.000 1.379 265 I HN -0.099 nan 8.210 nan 0.000 0.460 266 V N 0.842 120.673 119.914 -0.138 0.000 2.323 266 V HA -0.253 3.868 4.120 0.003 0.000 0.244 266 V C 2.424 178.327 176.094 -0.319 0.000 1.041 266 V CA 1.901 64.020 62.300 -0.302 0.000 1.025 266 V CB -0.738 30.913 31.823 -0.287 0.000 0.656 266 V HN 0.448 nan 8.190 nan 0.000 0.451 267 Q N 0.190 119.937 119.800 -0.088 0.000 2.077 267 Q HA -0.223 4.118 4.340 0.003 0.000 0.206 267 Q C -0.035 175.992 176.000 0.045 0.000 0.989 267 Q CA 2.509 58.347 55.803 0.058 0.000 0.853 267 Q CB -0.984 27.793 28.738 0.065 0.000 0.907 267 Q HN 0.477 nan 8.270 nan 0.000 0.418 268 P HA -0.139 nan 4.420 nan 0.000 0.215 268 P C 0.723 178.035 177.300 0.019 0.000 1.153 268 P CA 2.059 65.164 63.100 0.008 0.000 0.853 268 P CB -0.200 31.492 31.700 -0.013 0.000 0.788 269 A N -1.345 121.448 122.820 -0.046 0.000 1.902 269 A HA -0.205 4.116 4.320 0.003 0.000 0.217 269 A C 1.943 179.581 177.584 0.089 0.000 1.181 269 A CA 1.489 53.499 52.037 -0.045 0.000 0.623 269 A CB -1.759 17.141 19.000 -0.167 0.000 0.818 269 A HN 0.040 nan 8.150 nan 0.000 0.443 270 F N 0.406 120.400 119.950 0.072 0.000 2.102 270 F HA -0.109 4.419 4.527 0.003 0.000 0.298 270 F C 2.406 178.337 175.800 0.218 0.000 1.105 270 F CA 1.343 59.430 58.000 0.145 0.000 1.239 270 F CB -1.009 38.050 39.000 0.099 0.000 0.991 270 F HN 0.367 nan 8.300 nan 0.000 0.474 271 E N -0.111 120.268 120.200 0.298 0.000 2.085 271 E HA -0.218 4.133 4.350 0.003 0.000 0.194 271 E C 2.345 179.078 176.600 0.222 0.000 0.994 271 E CA 1.773 58.287 56.400 0.190 0.000 0.801 271 E CB -0.358 29.390 29.700 0.082 0.000 0.743 271 E HN 0.420 nan 8.360 nan 0.000 0.453 272 S N 1.190 116.990 115.700 0.167 0.000 2.370 272 S HA -0.161 4.311 4.470 0.003 0.000 0.226 272 S C 2.292 176.971 174.600 0.132 0.000 1.033 272 S CA 1.011 59.282 58.200 0.118 0.000 1.011 272 S CB -0.325 62.919 63.200 0.074 0.000 0.852 272 S HN 0.295 nan 8.310 nan 0.000 0.457 273 A N 0.672 123.597 122.820 0.175 0.000 1.978 273 A HA 0.090 4.411 4.320 0.003 0.000 0.220 273 A C 1.885 179.464 177.584 -0.008 0.000 1.170 273 A CA 1.451 53.538 52.037 0.083 0.000 0.636 273 A CB -0.943 18.118 19.000 0.102 0.000 0.810 273 A HN 0.571 nan 8.150 nan 0.000 0.448 274 F N 0.189 120.149 119.950 0.017 0.000 2.219 274 F HA -0.029 4.500 4.527 0.003 0.000 0.294 274 F C 2.050 177.843 175.800 -0.011 0.000 1.086 274 F CA 1.215 59.207 58.000 -0.014 0.000 1.330 274 F CB -0.281 38.701 39.000 -0.029 0.000 1.047 274 F HN 0.161 nan 8.300 nan 0.000 0.495 275 D N 0.346 120.855 120.400 0.182 0.000 2.144 275 D HA -0.126 4.515 4.640 0.003 0.000 0.199 275 D C 2.155 178.484 176.300 0.050 0.000 0.984 275 D CA 1.213 55.270 54.000 0.095 0.000 0.834 275 D CB -0.383 40.462 40.800 0.075 0.000 0.955 275 D HN 0.254 nan 8.370 nan 0.000 0.465 276 L N 0.095 121.340 121.223 0.037 0.000 2.599 276 L HA 0.053 4.395 4.340 0.003 0.000 0.230 276 L C 0.364 177.221 176.870 -0.022 0.000 1.141 276 L CA 0.138 54.982 54.840 0.007 0.000 0.877 276 L CB -0.244 41.819 42.059 0.006 0.000 1.009 276 L HN -0.044 nan 8.230 nan 0.000 0.447 277 K N -0.379 119.998 120.400 -0.038 0.000 3.150 277 K HA -0.178 4.143 4.320 0.003 0.000 0.267 277 K C 0.831 177.367 176.600 -0.108 0.000 1.028 277 K CA 0.453 56.694 56.287 -0.077 0.000 0.753 277 K CB -1.858 30.615 32.500 -0.046 0.000 1.288 277 K HN 0.246 nan 8.250 nan 0.000 0.473 278 S N -0.544 115.073 115.700 -0.139 0.000 2.548 278 S HA 0.008 4.480 4.470 0.003 0.000 0.215 278 S C 0.592 175.080 174.600 -0.186 0.000 0.976 278 S CA 0.374 58.498 58.200 -0.128 0.000 0.908 278 S CB 0.874 64.023 63.200 -0.085 0.000 0.781 278 S HN 0.491 nan 8.310 nan 0.000 0.519 279 T N 2.214 116.586 114.554 -0.303 0.000 2.923 279 T HA 0.433 4.785 4.350 0.003 0.000 0.311 279 T C -3.170 171.298 174.700 -0.387 0.000 1.183 279 T CA -1.863 60.025 62.100 -0.354 0.000 1.020 279 T CB 1.203 69.776 68.868 -0.492 0.000 1.165 279 T HN -0.256 nan 8.240 nan 0.000 0.482 280 P HA 0.126 nan 4.420 nan 0.000 0.265 280 P C 0.956 178.147 177.300 -0.181 0.000 1.187 280 P CA -0.326 62.673 63.100 -0.169 0.000 0.766 280 P CB 0.330 31.970 31.700 -0.100 0.000 0.820 281 I N 0.404 120.941 120.570 -0.054 0.000 2.439 281 I HA -0.038 4.134 4.170 0.003 0.000 0.251 281 I C 1.065 177.234 176.117 0.086 0.000 1.139 281 I CA 1.620 62.994 61.300 0.124 0.000 1.438 281 I CB -0.855 37.211 38.000 0.110 0.000 1.085 281 I HN 0.390 nan 8.210 nan 0.000 0.427 282 E N -0.046 120.150 120.200 -0.006 0.000 2.299 282 E HA 0.388 4.740 4.350 0.003 0.000 0.265 282 E C -1.124 175.472 176.600 -0.007 0.000 0.911 282 E CA -0.892 55.479 56.400 -0.047 0.000 0.789 282 E CB 2.074 31.794 29.700 0.033 0.000 1.246 282 E HN -0.168 nan 8.360 nan 0.000 0.427 283 F N 1.904 121.902 119.950 0.081 0.000 2.443 283 F HA 0.066 4.595 4.527 0.003 0.000 0.353 283 F C 1.851 177.725 175.800 0.123 0.000 1.101 283 F CA -0.050 58.002 58.000 0.088 0.000 1.226 283 F CB 0.486 39.515 39.000 0.049 0.000 1.140 283 F HN 0.495 nan 8.300 nan 0.000 0.557 284 H N -0.291 118.902 119.070 0.207 0.000 2.740 284 H HA 0.287 4.845 4.556 0.003 0.000 0.265 284 H C -0.360 174.997 175.328 0.050 0.000 0.978 284 H CA 0.669 56.776 56.048 0.098 0.000 1.198 284 H CB 0.451 30.244 29.762 0.052 0.000 1.467 284 H HN 0.442 nan 8.280 nan 0.000 0.511 285 S N -0.873 114.634 115.700 -0.322 0.000 2.588 285 S HA 0.275 4.747 4.470 0.003 0.000 0.269 285 S C -0.002 174.566 174.600 -0.053 0.000 1.157 285 S CA -0.766 57.209 58.200 -0.375 0.000 0.824 285 S CB 0.346 63.193 63.200 -0.589 0.000 1.126 285 S HN -0.096 nan 8.310 nan 0.000 0.464 286 F N 1.283 121.112 119.950 -0.201 0.000 2.216 286 F HA 0.013 4.542 4.527 0.003 0.000 0.300 286 F C 2.736 178.396 175.800 -0.234 0.000 1.085 286 F CA 1.545 59.405 58.000 -0.234 0.000 1.326 286 F CB -1.166 37.797 39.000 -0.062 0.000 1.027 286 F HN 0.735 nan 8.300 nan 0.000 0.497 287 Q N 0.902 120.798 119.800 0.161 0.000 2.170 287 Q HA -0.174 4.168 4.340 0.003 0.000 0.203 287 Q C 1.507 177.522 176.000 0.026 0.000 0.976 287 Q CA 1.712 57.613 55.803 0.163 0.000 0.858 287 Q CB -0.528 28.277 28.738 0.112 0.000 0.907 287 Q HN 0.251 nan 8.270 nan 0.000 0.433 288 D N -1.084 119.320 120.400 0.007 0.000 2.218 288 D HA -0.109 4.532 4.640 0.003 0.000 0.204 288 D C 1.685 177.910 176.300 -0.125 0.000 0.976 288 D CA 1.076 55.112 54.000 0.060 0.000 0.853 288 D CB 0.107 41.065 40.800 0.262 0.000 0.939 288 D HN 0.189 nan 8.370 nan 0.000 0.481 289 V N 0.923 120.563 119.914 -0.457 0.000 2.346 289 V HA -0.157 3.964 4.120 0.003 0.000 0.244 289 V C 2.175 177.967 176.094 -0.503 0.000 1.037 289 V CA 1.166 63.024 62.300 -0.736 0.000 1.029 289 V CB -0.461 30.759 31.823 -1.006 0.000 0.663 289 V HN 0.269 nan 8.190 nan 0.000 0.454 290 H N 0.064 118.933 119.070 -0.336 0.000 2.421 290 H HA -0.140 4.418 4.556 0.003 0.000 0.298 290 H C 2.129 176.999 175.328 -0.764 0.000 1.087 290 H CA 1.565 57.266 56.048 -0.577 0.000 1.330 290 H CB -0.285 29.319 29.762 -0.264 0.000 1.388 290 H HN 0.421 nan 8.280 nan 0.000 0.526 291 D N 0.772 121.025 120.400 -0.244 0.000 2.182 291 D HA -0.118 4.524 4.640 0.003 0.000 0.201 291 D C 2.418 178.639 176.300 -0.131 0.000 0.986 291 D CA 0.360 54.274 54.000 -0.144 0.000 0.847 291 D CB -0.310 40.479 40.800 -0.019 0.000 0.942 291 D HN 0.319 nan 8.370 nan 0.000 0.467 292 L N -0.049 121.102 121.223 -0.121 0.000 2.129 292 L HA -0.209 4.133 4.340 0.003 0.000 0.212 292 L C 1.856 178.876 176.870 0.251 0.000 1.087 292 L CA 1.205 56.113 54.840 0.114 0.000 0.757 292 L CB -0.532 41.584 42.059 0.094 0.000 0.896 292 L HN 0.270 nan 8.230 nan 0.000 0.434 293 Y N -2.962 117.466 120.300 0.214 0.000 2.531 293 Y HA 0.390 4.942 4.550 0.003 0.000 0.249 293 Y C 1.353 177.343 175.900 0.149 0.000 1.168 293 Y CA -0.746 57.488 58.100 0.222 0.000 1.226 293 Y CB -0.461 38.122 38.460 0.205 0.000 1.177 293 Y HN 0.071 nan 8.280 nan 0.000 0.527 294 E N 0.852 121.033 120.200 -0.032 0.000 2.933 294 E HA 0.250 4.602 4.350 0.003 0.000 0.301 294 E C 1.930 178.560 176.600 0.051 0.000 0.836 294 E CA 0.203 56.615 56.400 0.021 0.000 1.213 294 E CB -0.437 29.217 29.700 -0.076 0.000 2.349 294 E HN 0.286 nan 8.360 nan 0.000 0.558 295 G N 0.162 108.976 108.800 0.024 0.000 2.484 295 G HA2 0.269 4.231 3.960 0.003 0.000 0.218 295 G HA3 0.269 4.231 3.960 0.003 0.000 0.218 295 G C 0.701 175.638 174.900 0.062 0.000 1.130 295 G CA 0.654 45.779 45.100 0.041 0.000 0.784 295 G HN 0.595 nan 8.290 nan 0.000 0.543 296 G N -0.788 108.056 108.800 0.074 0.000 2.582 296 G HA2 -0.075 3.887 3.960 0.003 0.000 0.222 296 G HA3 -0.075 3.887 3.960 0.003 0.000 0.222 296 G C -0.724 174.240 174.900 0.106 0.000 1.311 296 G CA -0.231 44.940 45.100 0.118 0.000 0.915 296 G HN 0.833 nan 8.290 nan 0.000 0.528 297 I N 0.095 120.737 120.570 0.120 0.000 2.509 297 I HA 0.604 4.776 4.170 0.003 0.000 0.293 297 I C -0.026 176.129 176.117 0.064 0.000 1.020 297 I CA -1.147 60.209 61.300 0.094 0.000 1.088 297 I CB 1.304 39.380 38.000 0.127 0.000 1.267 297 I HN 0.531 nan 8.210 nan 0.000 0.430 298 K N 7.956 128.378 120.400 0.036 0.000 2.227 298 K HA 0.571 4.892 4.320 0.003 0.000 0.280 298 K C -1.186 175.430 176.600 0.027 0.000 1.041 298 K CA -0.389 55.920 56.287 0.037 0.000 0.905 298 K CB 1.432 33.928 32.500 -0.006 0.000 1.068 298 K HN 0.511 nan 8.250 nan 0.000 0.470 299 L N 3.524 124.794 121.223 0.078 0.000 2.283 299 L HA 0.498 4.840 4.340 0.003 0.000 0.259 299 L C -2.417 174.533 176.870 0.133 0.000 1.027 299 L CA -2.805 52.079 54.840 0.072 0.000 0.828 299 L CB 1.879 43.995 42.059 0.096 0.000 1.380 299 L HN 0.327 nan 8.230 nan 0.000 0.425 300 P HA 0.103 nan 4.420 nan 0.000 0.266 300 P C 0.007 177.354 177.300 0.079 0.000 1.195 300 P CA 0.056 63.226 63.100 0.116 0.000 0.768 300 P CB 0.558 32.291 31.700 0.056 0.000 0.838 301 R N 2.461 122.989 120.500 0.048 0.000 2.113 301 R HA -0.193 4.149 4.340 0.003 0.000 0.244 301 R C 1.632 177.883 176.300 -0.083 0.000 1.142 301 R CA 2.104 58.115 56.100 -0.149 0.000 0.953 301 R CB -0.682 29.516 30.300 -0.170 0.000 0.860 301 R HN 0.670 nan 8.270 nan 0.000 0.438 302 D N 0.142 120.521 120.400 -0.035 0.000 2.350 302 D HA -0.090 4.551 4.640 0.003 0.000 0.216 302 D C 1.602 177.882 176.300 -0.034 0.000 0.968 302 D CA 0.759 54.739 54.000 -0.032 0.000 0.894 302 D CB -0.006 40.784 40.800 -0.016 0.000 0.909 302 D HN 0.129 nan 8.370 nan 0.000 0.520 303 V N 1.118 121.019 119.914 -0.022 0.000 2.379 303 V HA -0.145 3.977 4.120 0.003 0.000 0.243 303 V C 2.620 178.675 176.094 -0.065 0.000 1.035 303 V CA 0.569 62.853 62.300 -0.027 0.000 1.035 303 V CB -0.155 31.690 31.823 0.037 0.000 0.673 303 V HN 0.141 nan 8.190 nan 0.000 0.457 304 I N 0.449 120.985 120.570 -0.057 0.000 2.226 304 I HA -0.161 4.010 4.170 0.003 0.000 0.245 304 I C 2.495 178.567 176.117 -0.076 0.000 1.100 304 I CA 1.548 62.802 61.300 -0.076 0.000 1.374 304 I CB -1.311 36.639 38.000 -0.085 0.000 1.057 304 I HN 0.286 nan 8.210 nan 0.000 0.413 305 S N 0.279 115.935 115.700 -0.074 0.000 2.423 305 S HA -0.113 4.359 4.470 0.003 0.000 0.231 305 S C 1.971 176.538 174.600 -0.055 0.000 1.014 305 S CA 1.400 59.563 58.200 -0.061 0.000 0.965 305 S CB -0.241 62.923 63.200 -0.059 0.000 0.785 305 S HN 0.483 nan 8.310 nan 0.000 0.495 306 T N 1.898 116.412 114.554 -0.066 0.000 2.985 306 T HA 0.211 4.563 4.350 0.003 0.000 0.266 306 T C 1.618 176.271 174.700 -0.078 0.000 1.076 306 T CA 0.651 62.709 62.100 -0.070 0.000 1.135 306 T CB -0.121 68.697 68.868 -0.084 0.000 0.890 306 T HN 0.324 nan 8.240 nan 0.000 0.480 307 I N 0.211 120.726 120.570 -0.092 0.000 2.512 307 I HA 0.118 4.290 4.170 0.003 0.000 0.247 307 I C 2.209 178.319 176.117 -0.012 0.000 1.094 307 I CA 0.493 61.750 61.300 -0.072 0.000 1.427 307 I CB -0.187 37.735 38.000 -0.129 0.000 1.149 307 I HN 0.104 nan 8.210 nan 0.000 0.438 308 I N 2.293 122.854 120.570 -0.015 0.000 2.381 308 I HA -0.230 3.942 4.170 0.003 0.000 0.255 308 I C -0.482 175.636 176.117 0.002 0.000 1.140 308 I CA 1.544 62.847 61.300 0.005 0.000 1.404 308 I CB -0.513 37.480 38.000 -0.012 0.000 1.075 308 I HN 0.197 nan 8.210 nan 0.000 0.433 309 P HA 0.089 nan 4.420 nan 0.000 0.264 309 P C 0.254 177.551 177.300 -0.005 0.000 1.259 309 P CA 0.196 63.292 63.100 -0.007 0.000 0.841 309 P CB 0.162 31.855 31.700 -0.012 0.000 1.232 310 L N 3.737 124.956 121.223 -0.006 0.000 2.410 310 L HA 0.238 4.579 4.340 0.003 0.000 0.273 310 L C -1.789 175.078 176.870 -0.006 0.000 1.152 310 L CA -1.955 52.881 54.840 -0.007 0.000 0.855 310 L CB -0.092 41.961 42.059 -0.010 0.000 1.129 310 L HN -0.059 nan 8.230 nan 0.000 0.463 311 P HA 0.058 nan 4.420 nan 0.000 0.269 311 P C 0.790 178.078 177.300 -0.020 0.000 1.209 311 P CA -0.039 63.055 63.100 -0.010 0.000 0.776 311 P CB 1.803 33.502 31.700 -0.003 0.000 0.876 312 V N 1.495 121.390 119.914 -0.032 0.000 0.508 312 V HA -0.349 3.772 4.120 0.003 0.000 0.092 312 V C 2.259 178.312 176.094 -0.069 0.000 2.282 312 V CA 2.283 64.554 62.300 -0.048 0.000 3.591 312 V CB -2.064 29.735 31.823 -0.040 0.000 0.878 312 V HN 0.467 nan 8.190 nan 0.000 0.919 313 I N 1.393 121.935 120.570 -0.046 0.000 2.208 313 I HA -0.242 3.930 4.170 0.003 0.000 0.245 313 I C 2.573 178.654 176.117 -0.059 0.000 1.097 313 I CA 2.836 64.110 61.300 -0.044 0.000 1.363 313 I CB -1.219 36.794 38.000 0.021 0.000 1.051 313 I HN 0.840 nan 8.210 nan 0.000 0.413 314 K N 0.719 121.110 120.400 -0.015 0.000 2.280 314 K HA -0.140 4.181 4.320 0.003 0.000 0.202 314 K C 1.337 177.907 176.600 -0.050 0.000 1.047 314 K CA 1.072 57.365 56.287 0.009 0.000 0.942 314 K CB -0.205 32.303 32.500 0.012 0.000 0.739 314 K HN 0.249 nan 8.250 nan 0.000 0.457 315 E N 1.225 121.364 120.200 -0.100 0.000 2.427 315 E HA -0.010 4.341 4.350 0.003 0.000 0.196 315 E C 1.895 178.363 176.600 -0.221 0.000 1.028 315 E CA 0.478 56.809 56.400 -0.116 0.000 0.864 315 E CB -0.037 29.608 29.700 -0.090 0.000 0.813 315 E HN 0.438 nan 8.360 nan 0.000 0.514 316 L N -0.404 120.574 121.223 -0.409 0.000 2.313 316 L HA -0.041 4.301 4.340 0.003 0.000 0.214 316 L C 0.173 176.518 176.870 -0.875 0.000 1.119 316 L CA 0.777 55.169 54.840 -0.747 0.000 0.809 316 L CB -0.122 41.230 42.059 -1.179 0.000 0.933 316 L HN 0.051 nan 8.230 nan 0.000 0.449 317 Y N -1.768 118.434 120.300 -0.164 0.000 2.534 317 Y HA 0.513 5.065 4.550 0.003 0.000 0.345 317 Y C -0.057 175.786 175.900 -0.095 0.000 1.031 317 Y CA -1.404 56.580 58.100 -0.193 0.000 1.022 317 Y CB 0.924 39.216 38.460 -0.281 0.000 1.292 317 Y HN -0.222 nan 8.280 nan 0.000 0.459 318 R N 0.567 121.130 120.500 0.105 0.000 2.500 318 R HA 0.692 5.034 4.340 0.003 0.000 0.275 318 R C -0.484 175.861 176.300 0.076 0.000 1.051 318 R CA -0.542 55.602 56.100 0.073 0.000 1.088 318 R CB 1.705 32.044 30.300 0.064 0.000 1.063 318 R HN 0.790 nan 8.270 nan 0.000 0.511 319 T N -0.659 113.926 114.554 0.053 0.000 2.868 319 T HA 0.088 4.439 4.350 0.003 0.000 0.306 319 T C -0.349 174.368 174.700 0.028 0.000 1.224 319 T CA -0.837 61.285 62.100 0.036 0.000 1.012 319 T CB 1.319 70.201 68.868 0.023 0.000 1.221 319 T HN 0.706 nan 8.240 nan 0.000 0.499 320 D N 0.741 121.157 120.400 0.026 0.000 2.339 320 D HA 0.219 4.860 4.640 0.003 0.000 0.217 320 D C 1.519 177.822 176.300 0.005 0.000 1.050 320 D CA 0.810 54.824 54.000 0.024 0.000 0.856 320 D CB -0.410 40.414 40.800 0.041 0.000 0.922 320 D HN 1.158 nan 8.370 nan 0.000 0.518 321 G N 0.164 108.958 108.800 -0.009 0.000 2.212 321 G HA2 -0.349 3.613 3.960 0.003 0.000 0.266 321 G HA3 -0.349 3.613 3.960 0.003 0.000 0.266 321 G C 1.079 175.933 174.900 -0.076 0.000 0.978 321 G CA 0.724 45.805 45.100 -0.031 0.000 0.632 321 G HN 0.389 nan 8.290 nan 0.000 0.537 322 Q N -1.501 118.243 119.800 -0.093 0.000 2.622 322 Q HA 0.267 4.609 4.340 0.003 0.000 0.208 322 Q C 1.682 177.419 176.000 -0.440 0.000 0.911 322 Q CA 1.620 57.272 55.803 -0.253 0.000 0.893 322 Q CB 0.122 28.768 28.738 -0.154 0.000 1.124 322 Q HN 0.729 nan 8.270 nan 0.000 0.634 323 H N -1.273 117.793 119.070 -0.005 0.000 3.535 323 H HA 0.418 4.975 4.556 0.003 0.000 0.260 323 H C -0.125 175.199 175.328 -0.005 0.000 1.173 323 H CA -0.149 55.895 56.048 -0.007 0.000 1.168 323 H CB 1.611 31.368 29.762 -0.008 0.000 1.568 323 H HN -0.006 nan 8.280 nan 0.000 0.602 324 I N 2.186 122.815 120.570 0.099 0.000 2.359 324 I HA 0.241 4.413 4.170 0.003 0.000 0.294 324 I C -0.764 175.367 176.117 0.024 0.000 0.987 324 I CA -0.476 60.864 61.300 0.066 0.000 1.225 324 I CB 1.902 39.943 38.000 0.068 0.000 1.366 324 I HN -0.031 nan 8.210 nan 0.000 0.466 325 L N 6.621 127.850 121.223 0.010 0.000 2.356 325 L HA 0.513 4.855 4.340 0.003 0.000 0.277 325 L C -0.466 176.422 176.870 0.031 0.000 0.996 325 L CA -0.660 54.141 54.840 -0.065 0.000 0.822 325 L CB 1.947 43.847 42.059 -0.265 0.000 1.256 325 L HN 0.529 nan 8.230 nan 0.000 0.413 326 K N 3.222 123.666 120.400 0.074 0.000 2.413 326 K HA 0.514 4.836 4.320 0.003 0.000 0.257 326 K C -1.126 175.601 176.600 0.212 0.000 0.946 326 K CA -0.532 55.861 56.287 0.176 0.000 0.823 326 K CB 1.315 33.903 32.500 0.147 0.000 1.109 326 K HN 0.185 nan 8.250 nan 0.000 0.427 327 F N 4.517 124.652 119.950 0.310 0.000 2.380 327 F HA 0.305 4.834 4.527 0.003 0.000 0.325 327 F C -1.504 174.459 175.800 0.272 0.000 1.136 327 F CA -1.763 56.435 58.000 0.330 0.000 1.171 327 F CB 0.506 39.757 39.000 0.419 0.000 1.230 327 F HN 0.446 nan 8.300 nan 0.000 0.554 328 P HA -0.014 nan 4.420 nan 0.000 0.275 328 P C -1.249 176.212 177.300 0.268 0.000 1.228 328 P CA -0.547 62.679 63.100 0.209 0.000 0.786 328 P CB 0.741 32.455 31.700 0.023 0.000 0.927 329 Q N 3.148 123.003 119.800 0.091 0.000 2.271 329 Q HA 0.136 4.478 4.340 0.003 0.000 0.273 329 Q C -2.049 173.812 176.000 -0.233 0.000 1.051 329 Q CA -1.529 54.132 55.803 -0.236 0.000 0.901 329 Q CB -0.126 28.509 28.738 -0.172 0.000 1.174 329 Q HN 0.291 nan 8.270 nan 0.000 0.385 330 P HA -0.006 nan 4.420 nan 0.000 0.268 330 P C -0.424 176.719 177.300 -0.261 0.000 1.205 330 P CA 0.068 63.022 63.100 -0.244 0.000 0.771 330 P CB 0.639 32.053 31.700 -0.477 0.000 0.858 331 H N 0.974 119.866 119.070 -0.296 0.000 2.353 331 H HA -0.143 4.414 4.556 0.003 0.000 0.298 331 H C 1.796 176.901 175.328 -0.371 0.000 1.103 331 H CA 1.523 57.345 56.048 -0.377 0.000 1.293 331 H CB -0.692 28.690 29.762 -0.634 0.000 1.372 331 H HN 0.139 nan 8.280 nan 0.000 0.501 332 V N 1.093 120.850 119.914 -0.262 0.000 2.828 332 V HA -0.144 3.977 4.120 0.003 0.000 0.260 332 V C 1.706 177.762 176.094 -0.062 0.000 1.101 332 V CA 1.732 63.932 62.300 -0.167 0.000 1.123 332 V CB -0.374 31.399 31.823 -0.083 0.000 0.704 332 V HN 0.497 nan 8.190 nan 0.000 0.493 333 V N -3.871 115.972 119.914 -0.119 0.000 3.528 333 V HA 0.184 4.305 4.120 0.003 0.000 0.294 333 V C 1.800 177.848 176.094 -0.077 0.000 1.404 333 V CA 0.608 62.875 62.300 -0.055 0.000 1.065 333 V CB 0.028 31.814 31.823 -0.061 0.000 0.904 333 V HN 0.460 nan 8.190 nan 0.000 0.435 334 Q N 0.504 120.232 119.800 -0.120 0.000 2.234 334 Q HA -0.081 4.260 4.340 0.003 0.000 0.206 334 Q C 2.009 177.978 176.000 -0.051 0.000 0.980 334 Q CA 2.085 57.824 55.803 -0.106 0.000 0.869 334 Q CB 0.119 28.765 28.738 -0.155 0.000 0.912 334 Q HN 0.699 nan 8.270 nan 0.000 0.436 335 V N -1.667 118.230 119.914 -0.029 0.000 3.013 335 V HA 0.078 4.200 4.120 0.003 0.000 0.238 335 V C 0.479 176.575 176.094 0.004 0.000 1.161 335 V CA 0.380 62.675 62.300 -0.008 0.000 1.170 335 V CB 1.464 33.288 31.823 0.001 0.000 0.917 335 V HN -0.025 nan 8.190 nan 0.000 0.478 336 S N 0.182 115.891 115.700 0.015 0.000 2.733 336 S HA 0.287 4.758 4.470 0.003 0.000 0.294 336 S C 0.540 175.176 174.600 0.060 0.000 1.149 336 S CA -0.480 57.736 58.200 0.026 0.000 1.034 336 S CB 1.706 64.922 63.200 0.026 0.000 1.015 336 S HN 0.509 nan 8.310 nan 0.000 0.486 337 Q N 3.291 123.123 119.800 0.052 0.000 2.472 337 Q HA 0.044 4.386 4.340 0.003 0.000 0.208 337 Q C 1.089 177.238 176.000 0.248 0.000 0.958 337 Q CA 1.475 57.346 55.803 0.113 0.000 0.932 337 Q CB -0.081 28.617 28.738 -0.067 0.000 1.007 337 Q HN 0.627 nan 8.270 nan 0.000 0.508 338 S N -1.342 114.415 115.700 0.095 0.000 2.512 338 S HA 0.391 4.862 4.470 0.003 0.000 0.216 338 S C 1.905 176.355 174.600 -0.250 0.000 1.006 338 S CA 0.010 58.171 58.200 -0.065 0.000 0.915 338 S CB 0.442 63.599 63.200 -0.071 0.000 0.824 338 S HN 0.413 nan 8.310 nan 0.000 0.497 339 A N 2.810 125.598 122.820 -0.053 0.000 1.978 339 A HA -0.045 4.276 4.320 0.003 0.000 0.220 339 A C 2.002 179.568 177.584 -0.030 0.000 1.170 339 A CA 1.337 53.351 52.037 -0.039 0.000 0.636 339 A CB -1.450 17.578 19.000 0.045 0.000 0.810 339 A HN 0.955 nan 8.150 nan 0.000 0.448 340 W N -0.667 120.645 121.300 0.020 0.000 2.364 340 W HA -0.155 4.507 4.660 0.003 0.000 0.281 340 W C 1.384 177.911 176.519 0.014 0.000 1.219 340 W CA 1.221 58.579 57.345 0.022 0.000 1.220 340 W CB -1.001 28.449 29.460 -0.017 0.000 1.127 340 W HN 0.296 nan 8.180 nan 0.000 0.556 341 M N 1.652 120.654 119.600 -0.997 0.000 2.619 341 M HA -0.007 4.475 4.480 0.003 0.000 0.251 341 M C 1.003 177.090 176.300 -0.356 0.000 1.106 341 M CA 1.188 55.903 55.300 -0.976 0.000 1.086 341 M CB -0.587 31.271 32.600 -1.238 0.000 1.465 341 M HN -0.120 nan 8.290 nan 0.000 0.506 342 T N -2.364 112.079 114.554 -0.184 0.000 2.913 342 T HA 0.097 4.448 4.350 0.003 0.000 0.297 342 T C 0.555 175.306 174.700 0.085 0.000 1.029 342 T CA -0.684 61.391 62.100 -0.041 0.000 1.104 342 T CB 1.256 70.117 68.868 -0.012 0.000 0.964 342 T HN 0.027 nan 8.240 nan 0.000 0.532 343 D N 1.227 121.714 120.400 0.144 0.000 2.178 343 D HA -0.049 4.592 4.640 0.003 0.000 0.201 343 D C 1.912 178.369 176.300 0.262 0.000 0.980 343 D CA 1.094 55.263 54.000 0.281 0.000 0.842 343 D CB -0.104 40.872 40.800 0.292 0.000 0.948 343 D HN 0.726 nan 8.370 nan 0.000 0.472 344 E N 0.484 120.775 120.200 0.152 0.000 2.058 344 E HA -0.192 4.160 4.350 0.003 0.000 0.194 344 E C 1.917 178.585 176.600 0.113 0.000 0.997 344 E CA 1.125 57.592 56.400 0.111 0.000 0.801 344 E CB -0.148 29.594 29.700 0.069 0.000 0.746 344 E HN 0.183 nan 8.360 nan 0.000 0.450 345 E N -0.182 120.097 120.200 0.131 0.000 2.072 345 E HA -0.136 4.215 4.350 0.003 0.000 0.191 345 E C 1.696 178.392 176.600 0.159 0.000 0.985 345 E CA 0.657 57.138 56.400 0.136 0.000 0.801 345 E CB -0.384 29.412 29.700 0.160 0.000 0.750 345 E HN 0.268 nan 8.360 nan 0.000 0.452 346 F N 0.883 120.864 119.950 0.051 0.000 2.065 346 F HA -0.230 4.298 4.527 0.003 0.000 0.298 346 F C 2.017 177.823 175.800 0.010 0.000 1.112 346 F CA 2.229 60.252 58.000 0.039 0.000 1.212 346 F CB -0.858 38.172 39.000 0.051 0.000 0.975 346 F HN 0.099 nan 8.300 nan 0.000 0.476 347 A N 0.372 123.168 122.820 -0.041 0.000 1.897 347 A HA -0.128 4.193 4.320 0.003 0.000 0.215 347 A C 2.420 179.888 177.584 -0.194 0.000 1.181 347 A CA 1.364 53.281 52.037 -0.200 0.000 0.620 347 A CB -0.855 18.131 19.000 -0.023 0.000 0.821 347 A HN 0.474 nan 8.150 nan 0.000 0.443 348 R N 0.098 120.540 120.500 -0.097 0.000 2.105 348 R HA -0.156 4.185 4.340 0.003 0.000 0.239 348 R C 1.712 177.922 176.300 -0.150 0.000 1.135 348 R CA 1.716 57.753 56.100 -0.105 0.000 0.967 348 R CB -0.255 30.034 30.300 -0.018 0.000 0.861 348 R HN 0.665 nan 8.270 nan 0.000 0.442 349 E N -0.129 119.970 120.200 -0.169 0.000 2.409 349 E HA -0.165 4.187 4.350 0.003 0.000 0.198 349 E C 1.748 178.187 176.600 -0.268 0.000 1.024 349 E CA 0.911 57.150 56.400 -0.267 0.000 0.861 349 E CB 0.000 29.498 29.700 -0.337 0.000 0.788 349 E HN 0.457 nan 8.360 nan 0.000 0.521 350 M N 0.128 119.561 119.600 -0.278 0.000 2.476 350 M HA -0.010 4.472 4.480 0.003 0.000 0.262 350 M C 2.000 178.138 176.300 -0.269 0.000 1.079 350 M CA 1.048 56.187 55.300 -0.268 0.000 1.104 350 M CB 0.088 32.499 32.600 -0.315 0.000 1.409 350 M HN 0.202 nan 8.290 nan 0.000 0.467 351 I N -4.958 115.434 120.570 -0.297 0.000 4.327 351 I HA 0.443 4.615 4.170 0.003 0.000 0.331 351 I C 1.079 177.139 176.117 -0.095 0.000 1.348 351 I CA -0.088 61.016 61.300 -0.326 0.000 1.152 351 I CB 0.376 37.950 38.000 -0.711 0.000 1.151 351 I HN -0.023 nan 8.210 nan 0.000 0.410 352 A N 1.159 123.892 122.820 -0.145 0.000 2.622 352 A HA 0.714 5.035 4.320 0.003 0.000 0.283 352 A C 0.765 178.399 177.584 0.083 0.000 0.998 352 A CA 0.154 52.082 52.037 -0.181 0.000 0.985 352 A CB -0.359 18.532 19.000 -0.183 0.000 1.236 352 A HN 0.383 nan 8.150 nan 0.000 0.559 353 G N -1.133 107.586 108.800 -0.135 0.000 2.606 353 G HA2 0.396 4.358 3.960 0.003 0.000 0.262 353 G HA3 0.396 4.358 3.960 0.003 0.000 0.262 353 G C 1.002 175.788 174.900 -0.191 0.000 1.394 353 G CA 0.474 45.270 45.100 -0.507 0.000 1.044 353 G HN 0.445 nan 8.290 nan 0.000 0.553 354 V N -0.142 119.585 119.914 -0.313 0.000 2.626 354 V HA 0.020 4.142 4.120 0.003 0.000 0.252 354 V C 0.987 176.959 176.094 -0.204 0.000 1.067 354 V CA 1.781 63.995 62.300 -0.143 0.000 1.081 354 V CB -0.450 31.213 31.823 -0.268 0.000 0.686 354 V HN 0.643 nan 8.190 nan 0.000 0.468 355 N N 0.154 118.757 118.700 -0.162 0.000 2.791 355 N HA 0.274 5.015 4.740 0.003 0.000 0.265 355 N C -2.400 173.094 175.510 -0.027 0.000 1.580 355 N CA -0.926 52.144 53.050 0.034 0.000 0.809 355 N CB 1.484 40.051 38.487 0.134 0.000 1.178 355 N HN 0.297 nan 8.380 nan 0.000 0.499 356 P HA 0.151 nan 4.420 nan 0.000 0.256 356 P C 0.460 177.746 177.300 -0.023 0.000 1.384 356 P CA 0.059 63.104 63.100 -0.091 0.000 0.879 356 P CB -0.649 31.004 31.700 -0.078 0.000 1.403 357 C N -3.042 116.238 119.300 -0.034 0.000 2.859 357 C HA 0.500 4.962 4.460 0.003 0.000 0.256 357 C C 1.333 176.393 174.990 0.117 0.000 1.660 357 C CA -0.489 58.575 59.018 0.076 0.000 1.755 357 C CB -1.102 26.637 27.740 -0.002 0.000 3.127 357 C HN 0.032 nan 8.230 nan 0.000 0.494 358 V N 0.542 120.497 119.914 0.069 0.000 3.484 358 V HA 0.228 4.350 4.120 0.003 0.000 0.252 358 V C 1.171 177.222 176.094 -0.071 0.000 1.282 358 V CA 0.188 62.488 62.300 -0.001 0.000 1.104 358 V CB -0.023 31.777 31.823 -0.038 0.000 0.868 358 V HN 0.686 nan 8.190 nan 0.000 0.457 359 I N 1.876 122.410 120.570 -0.061 0.000 2.815 359 I HA 0.055 4.226 4.170 0.003 0.000 0.291 359 I C 0.347 176.477 176.117 0.021 0.000 1.209 359 I CA 0.700 61.958 61.300 -0.071 0.000 1.431 359 I CB 0.224 38.134 38.000 -0.149 0.000 1.351 359 I HN 0.234 nan 8.210 nan 0.000 0.585 360 R N 4.401 124.939 120.500 0.062 0.000 2.795 360 R HA 0.470 4.812 4.340 0.003 0.000 0.275 360 R C -0.447 175.975 176.300 0.203 0.000 0.981 360 R CA -0.823 55.344 56.100 0.112 0.000 0.917 360 R CB 1.764 32.075 30.300 0.018 0.000 1.202 360 R HN 0.792 nan 8.270 nan 0.000 0.469 361 G N 1.003 109.889 108.800 0.143 0.000 2.483 361 G HA2 0.350 4.311 3.960 0.003 0.000 0.248 361 G HA3 0.350 4.311 3.960 0.003 0.000 0.248 361 G C -1.101 173.696 174.900 -0.171 0.000 1.248 361 G CA -0.242 44.758 45.100 -0.167 0.000 0.838 361 G HN 0.273 nan 8.290 nan 0.000 0.566 362 L N 0.613 121.673 121.223 -0.272 0.000 2.319 362 L HA 0.473 4.814 4.340 0.003 0.000 0.281 362 L C 0.643 177.440 176.870 -0.121 0.000 1.005 362 L CA -0.296 54.473 54.840 -0.119 0.000 0.828 362 L CB 1.488 43.528 42.059 -0.033 0.000 1.227 362 L HN 0.719 nan 8.230 nan 0.000 0.415 363 E N 3.441 123.596 120.200 -0.075 0.000 2.481 363 E HA 0.109 4.460 4.350 0.003 0.000 0.198 363 E C -0.553 176.043 176.600 -0.007 0.000 1.027 363 E CA 0.097 56.464 56.400 -0.054 0.000 0.900 363 E CB 0.688 30.354 29.700 -0.056 0.000 0.993 363 E HN 0.768 nan 8.360 nan 0.000 0.482 364 E N -0.121 120.088 120.200 0.016 0.000 2.429 364 E HA 0.529 4.881 4.350 0.003 0.000 0.276 364 E C -1.297 175.366 176.600 0.104 0.000 0.953 364 E CA -0.951 55.475 56.400 0.044 0.000 0.787 364 E CB 1.760 31.459 29.700 -0.002 0.000 1.307 364 E HN -0.105 nan 8.360 nan 0.000 0.458 365 F N 1.453 121.387 119.950 -0.026 0.000 2.596 365 F HA 0.448 4.977 4.527 0.003 0.000 0.311 365 F C -2.464 173.326 175.800 -0.018 0.000 1.116 365 F CA -1.545 56.441 58.000 -0.022 0.000 0.957 365 F CB 1.816 40.806 39.000 -0.016 0.000 1.250 365 F HN 0.462 nan 8.300 nan 0.000 0.444 366 P HA 0.361 nan 4.420 nan 0.000 0.274 366 P C -2.939 173.942 177.300 -0.698 0.000 1.256 366 P CA -1.340 60.963 63.100 -1.329 0.000 0.795 366 P CB 0.078 31.308 31.700 -0.784 0.000 1.038 367 P HA 0.215 nan 4.420 nan 0.000 0.271 367 P C -0.270 176.872 177.300 -0.264 0.000 1.218 367 P CA 0.184 63.094 63.100 -0.318 0.000 0.780 367 P CB 0.481 32.034 31.700 -0.245 0.000 0.901 368 K N 0.723 121.014 120.400 -0.181 0.000 2.185 368 K HA 0.639 4.961 4.320 0.003 0.000 0.240 368 K C -0.131 176.387 176.600 -0.137 0.000 0.983 368 K CA -0.720 55.478 56.287 -0.147 0.000 0.873 368 K CB 1.451 33.895 32.500 -0.093 0.000 1.118 368 K HN 0.315 nan 8.250 nan 0.000 0.441 369 S N 0.440 116.076 115.700 -0.107 0.000 2.513 369 S HA 0.285 4.756 4.470 0.003 0.000 0.299 369 S C -0.233 174.383 174.600 0.026 0.000 1.087 369 S CA -0.778 57.397 58.200 -0.042 0.000 1.012 369 S CB 0.736 63.913 63.200 -0.039 0.000 1.044 369 S HN 0.554 nan 8.310 nan 0.000 0.485 370 N N 3.030 121.765 118.700 0.058 0.000 2.270 370 N HA 0.235 4.977 4.740 0.003 0.000 0.198 370 N C -0.151 175.417 175.510 0.097 0.000 1.117 370 N CA 0.104 53.192 53.050 0.063 0.000 0.845 370 N CB -0.044 38.476 38.487 0.055 0.000 0.980 370 N HN 0.553 nan 8.380 nan 0.000 0.486 371 L N 0.473 121.775 121.223 0.132 0.000 2.418 371 L HA 0.165 4.506 4.340 0.003 0.000 0.265 371 L C 0.641 177.643 176.870 0.219 0.000 1.143 371 L CA -0.635 54.317 54.840 0.187 0.000 0.809 371 L CB 0.509 42.659 42.059 0.152 0.000 1.124 371 L HN -0.106 nan 8.230 nan 0.000 0.456 372 D N 3.541 124.095 120.400 0.256 0.000 2.346 372 D HA 0.057 4.698 4.640 0.003 0.000 0.260 372 D C -1.420 174.973 176.300 0.155 0.000 1.252 372 D CA -1.804 52.287 54.000 0.152 0.000 0.895 372 D CB 1.161 42.001 40.800 0.066 0.000 1.097 372 D HN 0.217 nan 8.370 nan 0.000 0.489 373 P HA -0.132 nan 4.420 nan 0.000 0.222 373 P C 0.970 178.300 177.300 0.051 0.000 1.147 373 P CA 0.656 63.823 63.100 0.112 0.000 0.790 373 P CB 0.212 31.963 31.700 0.086 0.000 0.780 374 A N -0.187 122.637 122.820 0.008 0.000 1.972 374 A HA -0.118 4.204 4.320 0.003 0.000 0.219 374 A C 2.267 179.797 177.584 -0.090 0.000 1.169 374 A CA 1.215 53.234 52.037 -0.029 0.000 0.635 374 A CB -1.255 17.726 19.000 -0.032 0.000 0.810 374 A HN 0.171 nan 8.150 nan 0.000 0.446 375 I N -2.936 117.520 120.570 -0.189 0.000 2.429 375 I HA -0.081 4.090 4.170 0.003 0.000 0.247 375 I C 1.608 177.443 176.117 -0.470 0.000 1.099 375 I CA 0.917 61.960 61.300 -0.428 0.000 1.422 375 I CB -0.091 37.437 38.000 -0.788 0.000 1.112 375 I HN 0.350 nan 8.210 nan 0.000 0.430 376 Y N 1.108 121.420 120.300 0.020 0.000 2.458 376 Y HA 0.471 5.023 4.550 0.003 0.000 0.256 376 Y C 1.163 177.107 175.900 0.074 0.000 1.159 376 Y CA 0.020 58.136 58.100 0.025 0.000 1.261 376 Y CB -0.103 38.370 38.460 0.021 0.000 1.119 376 Y HN 0.187 nan 8.280 nan 0.000 0.524 377 G N 0.565 109.470 108.800 0.176 0.000 2.712 377 G HA2 -0.230 3.732 3.960 0.003 0.000 0.683 377 G HA3 -0.230 3.732 3.960 0.003 0.000 0.683 377 G C -1.069 173.933 174.900 0.169 0.000 1.320 377 G CA -0.716 44.485 45.100 0.169 0.000 0.847 377 G HN 0.150 nan 8.290 nan 0.000 0.553 378 D N 0.158 120.634 120.400 0.126 0.000 2.586 378 D HA 0.125 4.766 4.640 0.003 0.000 0.234 378 D C 1.371 177.750 176.300 0.133 0.000 1.132 378 D CA 0.377 54.438 54.000 0.102 0.000 0.860 378 D CB 0.639 41.479 40.800 0.067 0.000 1.159 378 D HN 0.360 nan 8.370 nan 0.000 0.490 379 Q N 1.925 121.797 119.800 0.120 0.000 2.220 379 Q HA 0.101 4.442 4.340 0.003 0.000 0.205 379 Q C -0.011 176.000 176.000 0.017 0.000 0.865 379 Q CA -0.101 55.779 55.803 0.129 0.000 0.960 379 Q CB 0.193 29.030 28.738 0.164 0.000 1.097 379 Q HN 0.324 nan 8.270 nan 0.000 0.493 380 S N 1.116 116.822 115.700 0.010 0.000 2.549 380 S HA 0.070 4.542 4.470 0.003 0.000 0.286 380 S C 0.366 174.932 174.600 -0.056 0.000 1.314 380 S CA -0.034 58.142 58.200 -0.039 0.000 1.062 380 S CB 0.959 64.148 63.200 -0.019 0.000 0.865 380 S HN 0.235 nan 8.310 nan 0.000 0.498 381 S N 1.522 117.149 115.700 -0.120 0.000 2.576 381 S HA 0.157 4.629 4.470 0.003 0.000 0.276 381 S C 0.768 175.338 174.600 -0.051 0.000 1.339 381 S CA -0.444 57.687 58.200 -0.115 0.000 1.039 381 S CB 0.270 63.343 63.200 -0.211 0.000 0.902 381 S HN 0.543 nan 8.310 nan 0.000 0.516 382 K N 3.214 123.613 120.400 -0.001 0.000 2.374 382 K HA 0.301 4.623 4.320 0.003 0.000 0.196 382 K C -0.057 176.578 176.600 0.057 0.000 1.023 382 K CA 0.057 56.361 56.287 0.029 0.000 1.103 382 K CB -0.199 32.328 32.500 0.044 0.000 0.848 382 K HN 0.631 nan 8.250 nan 0.000 0.528 383 I N 2.718 123.329 120.570 0.069 0.000 2.471 383 I HA -0.030 4.142 4.170 0.003 0.000 0.286 383 I C 0.768 177.037 176.117 0.254 0.000 1.079 383 I CA -0.044 61.357 61.300 0.167 0.000 1.398 383 I CB 0.647 38.803 38.000 0.260 0.000 1.403 383 I HN -0.017 nan 8.210 nan 0.000 0.530 384 T N 2.589 117.265 114.554 0.203 0.000 2.875 384 T HA 0.509 4.861 4.350 0.003 0.000 0.284 384 T C 0.974 175.757 174.700 0.139 0.000 0.995 384 T CA -0.464 61.753 62.100 0.194 0.000 1.060 384 T CB 1.989 70.911 68.868 0.090 0.000 0.967 384 T HN 0.646 nan 8.240 nan 0.000 0.476 385 A N 2.419 125.297 122.820 0.098 0.000 1.908 385 A HA -0.080 4.241 4.320 0.003 0.000 0.218 385 A C 1.933 179.422 177.584 -0.158 0.000 1.181 385 A CA 1.541 53.441 52.037 -0.227 0.000 0.627 385 A CB -0.844 18.029 19.000 -0.211 0.000 0.818 385 A HN 0.892 nan 8.150 nan 0.000 0.445 386 D N 0.070 120.428 120.400 -0.070 0.000 2.309 386 D HA -0.098 4.544 4.640 0.003 0.000 0.212 386 D C 2.119 178.378 176.300 -0.068 0.000 0.968 386 D CA 1.426 55.386 54.000 -0.067 0.000 0.882 386 D CB -0.244 40.534 40.800 -0.037 0.000 0.918 386 D HN 0.620 nan 8.370 nan 0.000 0.503 387 S N -0.383 115.284 115.700 -0.054 0.000 2.562 387 S HA 0.027 4.498 4.470 0.003 0.000 0.221 387 S C 0.936 175.487 174.600 -0.082 0.000 0.975 387 S CA -0.230 57.940 58.200 -0.051 0.000 0.918 387 S CB -0.194 62.997 63.200 -0.015 0.000 0.772 387 S HN 0.099 nan 8.310 nan 0.000 0.531 388 L N 2.163 123.315 121.223 -0.119 0.000 2.312 388 L HA 0.467 4.808 4.340 0.003 0.000 0.281 388 L C -0.142 176.622 176.870 -0.177 0.000 1.070 388 L CA -0.651 54.100 54.840 -0.148 0.000 0.805 388 L CB 0.641 42.584 42.059 -0.192 0.000 1.174 388 L HN 0.077 nan 8.230 nan 0.000 0.434 389 D N 4.087 124.381 120.400 -0.176 0.000 2.456 389 D HA 0.229 4.871 4.640 0.003 0.000 0.219 389 D C -0.012 176.112 176.300 -0.295 0.000 1.126 389 D CA -0.157 53.729 54.000 -0.191 0.000 0.890 389 D CB 0.804 41.516 40.800 -0.148 0.000 1.025 389 D HN 0.394 nan 8.370 nan 0.000 0.511 390 L N 2.965 123.930 121.223 -0.431 0.000 3.073 390 L HA 0.201 4.543 4.340 0.003 0.000 0.242 390 L C 0.049 176.470 176.870 -0.749 0.000 1.317 390 L CA -0.435 53.822 54.840 -0.972 0.000 1.081 390 L CB -0.131 41.331 42.059 -0.995 0.000 1.456 390 L HN 0.200 nan 8.230 nan 0.000 0.525 391 D N 1.568 121.788 120.400 -0.300 0.000 2.751 391 D HA -0.211 4.430 4.640 0.003 0.000 0.233 391 D C 1.355 177.698 176.300 0.073 0.000 1.149 391 D CA 1.370 55.353 54.000 -0.028 0.000 0.682 391 D CB -1.008 39.888 40.800 0.161 0.000 1.068 391 D HN 0.772 nan 8.370 nan 0.000 0.429 392 G N -1.820 106.968 108.800 -0.019 0.000 2.217 392 G HA2 -0.377 3.585 3.960 0.003 0.000 0.246 392 G HA3 -0.377 3.585 3.960 0.003 0.000 0.246 392 G C 0.204 175.082 174.900 -0.037 0.000 0.990 392 G CA 0.213 45.300 45.100 -0.022 0.000 0.627 392 G HN 0.417 nan 8.290 nan 0.000 0.522 393 Y N 2.392 122.597 120.300 -0.159 0.000 2.336 393 Y HA 0.483 5.034 4.550 0.001 0.000 0.331 393 Y C 1.622 177.435 175.900 -0.146 0.000 1.211 393 Y CA 0.431 58.465 58.100 -0.111 0.000 1.346 393 Y CB 0.893 39.309 38.460 -0.073 0.000 1.271 393 Y HN 0.305 nan 8.280 nan 0.000 0.538 394 T N -0.461 114.107 114.554 0.024 0.000 2.874 394 T HA 0.176 4.528 4.350 0.003 0.000 0.281 394 T C 1.119 175.812 174.700 -0.011 0.000 0.994 394 T CA -0.845 61.240 62.100 -0.025 0.000 1.015 394 T CB 0.846 69.695 68.868 -0.031 0.000 1.028 394 T HN 0.720 nan 8.240 nan 0.000 0.523 395 M N 0.956 120.512 119.600 -0.073 0.000 2.080 395 M HA -0.076 4.405 4.480 0.003 0.000 0.260 395 M C 1.500 177.790 176.300 -0.016 0.000 1.068 395 M CA 1.789 57.027 55.300 -0.103 0.000 1.109 395 M CB -1.307 31.183 32.600 -0.183 0.000 1.342 395 M HN 0.717 nan 8.290 nan 0.000 0.405 396 D N 0.118 120.520 120.400 0.003 0.000 2.123 396 D HA -0.182 4.460 4.640 0.003 0.000 0.196 396 D C 1.941 178.274 176.300 0.055 0.000 0.992 396 D CA 1.683 55.699 54.000 0.026 0.000 0.833 396 D CB -0.314 40.497 40.800 0.017 0.000 0.954 396 D HN 0.600 nan 8.370 nan 0.000 0.455 397 E N 0.620 120.870 120.200 0.084 0.000 2.072 397 E HA -0.095 4.257 4.350 0.003 0.000 0.191 397 E C 2.142 178.899 176.600 0.261 0.000 0.985 397 E CA 0.926 57.424 56.400 0.163 0.000 0.801 397 E CB -0.032 29.766 29.700 0.163 0.000 0.750 397 E HN 0.190 nan 8.360 nan 0.000 0.452 398 A N 1.288 124.260 122.820 0.254 0.000 1.877 398 A HA -0.153 4.169 4.320 0.003 0.000 0.216 398 A C 2.207 179.840 177.584 0.081 0.000 1.186 398 A CA 1.027 53.195 52.037 0.217 0.000 0.620 398 A CB -0.641 18.478 19.000 0.198 0.000 0.822 398 A HN 0.112 nan 8.150 nan 0.000 0.443 399 L N -0.769 120.483 121.223 0.048 0.000 1.994 399 L HA -0.136 4.205 4.340 0.003 0.000 0.208 399 L C 2.866 179.734 176.870 -0.003 0.000 1.071 399 L CA 1.271 56.113 54.840 0.003 0.000 0.745 399 L CB -0.872 41.200 42.059 0.021 0.000 0.892 399 L HN 0.495 nan 8.230 nan 0.000 0.431 400 G N -0.600 108.219 108.800 0.031 0.000 2.432 400 G HA2 -0.247 3.715 3.960 0.003 0.000 0.219 400 G HA3 -0.247 3.715 3.960 0.003 0.000 0.219 400 G C 1.596 176.515 174.900 0.031 0.000 1.135 400 G CA 0.926 46.042 45.100 0.028 0.000 0.767 400 G HN 0.506 nan 8.290 nan 0.000 0.550 401 S N -0.211 115.525 115.700 0.059 0.000 2.631 401 S HA 0.169 4.640 4.470 0.003 0.000 0.217 401 S C 0.963 175.564 174.600 0.001 0.000 0.958 401 S CA -0.027 58.209 58.200 0.059 0.000 0.920 401 S CB 0.123 63.406 63.200 0.138 0.000 0.776 401 S HN 0.245 nan 8.310 nan 0.000 0.517 402 R N 0.614 121.087 120.500 -0.046 0.000 3.336 402 R HA -0.132 4.210 4.340 0.003 0.000 0.260 402 R C -0.031 176.173 176.300 -0.160 0.000 1.032 402 R CA 0.583 56.604 56.100 -0.131 0.000 0.693 402 R CB -2.566 27.698 30.300 -0.061 0.000 1.134 402 R HN 0.635 nan 8.270 nan 0.000 0.433 403 R N -0.525 119.869 120.500 -0.177 0.000 2.437 403 R HA 0.220 4.562 4.340 0.003 0.000 0.257 403 R C 0.251 176.448 176.300 -0.171 0.000 0.927 403 R CA -0.384 55.606 56.100 -0.182 0.000 1.078 403 R CB 0.492 30.540 30.300 -0.420 0.000 1.161 403 R HN -0.047 nan 8.270 nan 0.000 0.529 404 L N 0.908 121.922 121.223 -0.348 0.000 2.307 404 L HA 0.491 4.833 4.340 0.003 0.000 0.284 404 L C -1.057 175.435 176.870 -0.629 0.000 1.023 404 L CA -0.205 54.506 54.840 -0.214 0.000 0.810 404 L CB 0.814 42.836 42.059 -0.063 0.000 1.231 404 L HN -0.179 nan 8.230 nan 0.000 0.423 405 F N 4.173 124.129 119.950 0.010 0.000 2.675 405 F HA 0.724 5.252 4.527 0.001 0.000 0.324 405 F C -0.160 175.641 175.800 0.001 0.000 1.106 405 F CA -0.706 57.282 58.000 -0.020 0.000 0.970 405 F CB 1.903 40.856 39.000 -0.077 0.000 1.385 405 F HN 0.327 nan 8.300 nan 0.000 0.489 406 M N 1.970 121.668 119.600 0.165 0.000 2.465 406 M HA 0.522 5.004 4.480 0.003 0.000 0.284 406 M C -2.346 173.940 176.300 -0.023 0.000 1.212 406 M CA -0.910 54.430 55.300 0.068 0.000 0.910 406 M CB 2.235 34.858 32.600 0.039 0.000 1.725 406 M HN 0.587 nan 8.290 nan 0.000 0.477 407 L N 4.073 125.251 121.223 -0.074 0.000 2.297 407 L HA 0.484 4.826 4.340 0.003 0.000 0.277 407 L C -1.294 175.406 176.870 -0.282 0.000 1.040 407 L CA 0.229 54.938 54.840 -0.219 0.000 0.867 407 L CB 0.716 42.672 42.059 -0.171 0.000 1.244 407 L HN 0.596 nan 8.230 nan 0.000 0.433 408 D N 3.217 123.395 120.400 -0.369 0.000 2.443 408 D HA 0.187 4.828 4.640 0.003 0.000 0.221 408 D C -0.403 175.692 176.300 -0.343 0.000 1.097 408 D CA 0.013 53.863 54.000 -0.250 0.000 0.865 408 D CB 0.509 41.236 40.800 -0.122 0.000 1.034 408 D HN 0.424 nan 8.370 nan 0.000 0.511 409 Y N 2.183 122.532 120.300 0.083 0.000 2.555 409 Y HA 0.093 4.645 4.550 0.003 0.000 0.259 409 Y C 1.865 177.898 175.900 0.222 0.000 1.179 409 Y CA -0.356 57.840 58.100 0.161 0.000 1.230 409 Y CB -0.187 38.344 38.460 0.118 0.000 1.146 409 Y HN 0.624 nan 8.280 nan 0.000 0.526 410 H N 0.671 119.847 119.070 0.176 0.000 2.256 410 H HA -0.139 4.419 4.556 0.003 0.000 0.299 410 H C 0.779 176.173 175.328 0.110 0.000 1.071 410 H CA 2.333 58.458 56.048 0.128 0.000 1.280 410 H CB 0.123 29.918 29.762 0.055 0.000 1.370 410 H HN 0.225 nan 8.280 nan 0.000 0.490 411 D N 0.284 120.843 120.400 0.265 0.000 2.219 411 D HA -0.051 4.591 4.640 0.003 0.000 0.205 411 D C 2.525 178.887 176.300 0.104 0.000 0.970 411 D CA 0.615 54.702 54.000 0.145 0.000 0.851 411 D CB -0.118 40.780 40.800 0.163 0.000 0.943 411 D HN 0.443 nan 8.370 nan 0.000 0.488 412 I N -0.557 120.132 120.570 0.197 0.000 2.202 412 I HA -0.226 3.945 4.170 0.003 0.000 0.242 412 I C 1.668 177.853 176.117 0.114 0.000 1.091 412 I CA 0.898 62.322 61.300 0.208 0.000 1.368 412 I CB -0.069 38.144 38.000 0.355 0.000 1.058 412 I HN -0.080 nan 8.210 nan 0.000 0.410 413 F N -0.586 119.435 119.950 0.118 0.000 2.473 413 F HA -0.052 4.476 4.527 0.003 0.000 0.294 413 F C 2.313 178.108 175.800 -0.007 0.000 1.103 413 F CA 0.547 58.599 58.000 0.086 0.000 1.442 413 F CB -0.311 38.734 39.000 0.075 0.000 1.097 413 F HN -0.021 nan 8.300 nan 0.000 0.547 414 M N 1.436 121.019 119.600 -0.028 0.000 2.089 414 M HA -0.159 4.323 4.480 0.003 0.000 0.257 414 M C -1.087 175.024 176.300 -0.315 0.000 1.071 414 M CA 2.246 57.368 55.300 -0.297 0.000 1.096 414 M CB -1.695 30.510 32.600 -0.657 0.000 1.330 414 M HN -0.181 nan 8.290 nan 0.000 0.403 415 P HA -0.128 nan 4.420 nan 0.000 0.223 415 P C 0.448 177.633 177.300 -0.190 0.000 1.144 415 P CA 1.417 64.445 63.100 -0.120 0.000 0.783 415 P CB -0.206 31.469 31.700 -0.042 0.000 0.771 416 Y N -2.618 117.639 120.300 -0.072 0.000 2.444 416 Y HA 0.064 4.616 4.550 0.003 0.000 0.249 416 Y C 2.068 177.931 175.900 -0.062 0.000 1.134 416 Y CA -0.023 58.017 58.100 -0.099 0.000 1.261 416 Y CB -0.271 38.114 38.460 -0.126 0.000 1.143 416 Y HN -0.297 nan 8.280 nan 0.000 0.523 417 V N 0.351 120.321 119.914 0.094 0.000 2.332 417 V HA -0.332 3.790 4.120 0.003 0.000 0.248 417 V C 2.514 178.609 176.094 0.002 0.000 1.055 417 V CA 2.269 64.606 62.300 0.061 0.000 1.038 417 V CB -0.437 31.390 31.823 0.007 0.000 0.651 417 V HN 0.333 nan 8.190 nan 0.000 0.450 418 R N 0.367 120.855 120.500 -0.020 0.000 2.073 418 R HA -0.231 4.111 4.340 0.003 0.000 0.234 418 R C 2.529 178.803 176.300 -0.042 0.000 1.134 418 R CA 2.090 58.170 56.100 -0.034 0.000 0.952 418 R CB -0.261 30.022 30.300 -0.027 0.000 0.850 418 R HN 0.805 nan 8.270 nan 0.000 0.433 419 Q N -0.188 119.549 119.800 -0.105 0.000 2.172 419 Q HA -0.130 4.212 4.340 0.003 0.000 0.200 419 Q C 2.091 178.091 176.000 -0.001 0.000 0.964 419 Q CA 1.311 57.028 55.803 -0.145 0.000 0.855 419 Q CB -0.259 28.181 28.738 -0.496 0.000 0.918 419 Q HN 0.423 nan 8.270 nan 0.000 0.444 420 I N 1.885 122.472 120.570 0.028 0.000 2.202 420 I HA -0.236 3.936 4.170 0.003 0.000 0.242 420 I C 1.494 177.677 176.117 0.111 0.000 1.091 420 I CA 1.052 62.450 61.300 0.163 0.000 1.368 420 I CB -0.336 37.770 38.000 0.176 0.000 1.058 420 I HN 0.228 nan 8.210 nan 0.000 0.410 421 N N 0.487 119.215 118.700 0.046 0.000 2.453 421 N HA -0.146 4.596 4.740 0.003 0.000 0.183 421 N C 1.657 177.183 175.510 0.026 0.000 1.041 421 N CA 0.717 53.775 53.050 0.012 0.000 0.900 421 N CB -0.190 38.271 38.487 -0.043 0.000 0.961 421 N HN 0.361 nan 8.380 nan 0.000 0.443 422 Q N 0.137 119.966 119.800 0.048 0.000 2.435 422 Q HA 0.101 4.443 4.340 0.003 0.000 0.207 422 Q C 0.367 176.408 176.000 0.069 0.000 0.956 422 Q CA 0.169 56.003 55.803 0.053 0.000 0.917 422 Q CB 0.127 28.903 28.738 0.063 0.000 0.997 422 Q HN 0.432 nan 8.270 nan 0.000 0.497 423 L N 1.962 123.241 121.223 0.093 0.000 2.439 423 L HA 0.082 4.424 4.340 0.003 0.000 0.269 423 L C 0.556 177.454 176.870 0.047 0.000 1.179 423 L CA -0.395 54.493 54.840 0.082 0.000 0.828 423 L CB 0.230 42.353 42.059 0.106 0.000 1.106 423 L HN -0.012 nan 8.230 nan 0.000 0.467 424 N N 0.762 119.481 118.700 0.032 0.000 2.530 424 N HA 0.025 4.767 4.740 0.003 0.000 0.273 424 N C 0.578 176.098 175.510 0.016 0.000 1.173 424 N CA 0.070 53.132 53.050 0.020 0.000 0.967 424 N CB 1.400 39.894 38.487 0.012 0.000 1.109 424 N HN 0.626 nan 8.380 nan 0.000 0.453 425 S N -1.109 114.598 115.700 0.012 0.000 3.476 425 S HA -0.195 4.277 4.470 0.003 0.000 0.309 425 S C -0.493 174.115 174.600 0.012 0.000 1.222 425 S CA 0.949 59.153 58.200 0.007 0.000 0.922 425 S CB -1.054 62.142 63.200 -0.006 0.000 1.023 425 S HN 0.927 nan 8.310 nan 0.000 0.591 426 A N 0.687 123.523 122.820 0.026 0.000 2.381 426 A HA 0.752 5.073 4.320 0.003 0.000 0.299 426 A C -0.643 176.959 177.584 0.030 0.000 1.049 426 A CA -0.635 51.425 52.037 0.038 0.000 0.715 426 A CB 1.255 20.294 19.000 0.066 0.000 1.222 426 A HN 0.059 nan 8.150 nan 0.000 0.428 427 K N 1.175 121.589 120.400 0.024 0.000 2.565 427 K HA 0.679 5.001 4.320 0.003 0.000 0.251 427 K C -1.056 175.525 176.600 -0.032 0.000 0.956 427 K CA -0.283 55.985 56.287 -0.031 0.000 0.809 427 K CB 1.900 34.372 32.500 -0.046 0.000 1.267 427 K HN 0.774 nan 8.250 nan 0.000 0.438 428 T N 1.011 115.490 114.554 -0.124 0.000 2.838 428 T HA 0.748 5.100 4.350 0.003 0.000 0.292 428 T C -1.509 172.987 174.700 -0.339 0.000 1.113 428 T CA -0.413 61.624 62.100 -0.105 0.000 1.008 428 T CB 0.810 69.699 68.868 0.035 0.000 1.259 428 T HN 0.329 nan 8.240 nan 0.000 0.520 429 Y N 0.095 120.317 120.300 -0.131 0.000 2.570 429 Y HA 0.693 5.245 4.550 0.003 0.000 0.345 429 Y C 0.325 176.166 175.900 -0.099 0.000 1.014 429 Y CA -1.077 56.937 58.100 -0.143 0.000 1.063 429 Y CB 1.959 40.287 38.460 -0.219 0.000 1.272 429 Y HN 0.777 nan 8.280 nan 0.000 0.477 430 A N 1.743 124.638 122.820 0.126 0.000 2.279 430 A HA 0.522 4.843 4.320 0.003 0.000 0.306 430 A C 0.067 177.725 177.584 0.124 0.000 1.300 430 A CA -0.373 51.719 52.037 0.092 0.000 0.925 430 A CB -0.660 18.316 19.000 -0.040 0.000 1.152 430 A HN 0.686 nan 8.150 nan 0.000 0.544 431 T N 0.511 115.138 114.554 0.122 0.000 2.934 431 T HA 0.713 5.064 4.350 0.003 0.000 0.283 431 T C -0.174 174.645 174.700 0.199 0.000 1.005 431 T CA -0.783 61.408 62.100 0.152 0.000 1.041 431 T CB 1.317 70.264 68.868 0.131 0.000 1.042 431 T HN 0.729 nan 8.240 nan 0.000 0.505 432 R N 0.799 121.394 120.500 0.158 0.000 2.574 432 R HA 0.513 4.854 4.340 0.003 0.000 0.288 432 R C -1.492 174.887 176.300 0.133 0.000 1.004 432 R CA -0.508 55.665 56.100 0.122 0.000 0.895 432 R CB 2.038 32.400 30.300 0.103 0.000 1.191 432 R HN 0.831 nan 8.270 nan 0.000 0.444 433 T N 5.358 119.986 114.554 0.123 0.000 2.792 433 T HA 0.435 4.787 4.350 0.003 0.000 0.280 433 T C -0.273 174.527 174.700 0.168 0.000 0.990 433 T CA -0.617 61.594 62.100 0.186 0.000 0.960 433 T CB 0.875 69.869 68.868 0.209 0.000 0.939 433 T HN 0.303 nan 8.240 nan 0.000 0.439 434 I N 4.139 124.841 120.570 0.220 0.000 2.385 434 I HA 0.464 4.635 4.170 0.003 0.000 0.294 434 I C -0.119 176.132 176.117 0.223 0.000 0.988 434 I CA -0.933 60.495 61.300 0.212 0.000 1.265 434 I CB 0.816 38.959 38.000 0.239 0.000 1.388 434 I HN 0.512 nan 8.210 nan 0.000 0.480 435 L N 5.957 127.307 121.223 0.212 0.000 2.354 435 L HA 0.523 4.864 4.340 0.003 0.000 0.269 435 L C -0.801 176.239 176.870 0.284 0.000 1.005 435 L CA -0.630 54.340 54.840 0.216 0.000 0.819 435 L CB 2.305 44.445 42.059 0.133 0.000 1.311 435 L HN 0.349 nan 8.230 nan 0.000 0.423 436 F N 2.830 122.830 119.950 0.084 0.000 2.482 436 F HA 0.575 5.104 4.527 0.002 0.000 0.331 436 F C -0.844 174.977 175.800 0.035 0.000 1.115 436 F CA -1.035 56.992 58.000 0.045 0.000 0.955 436 F CB 1.619 40.603 39.000 -0.027 0.000 1.136 436 F HN 0.261 nan 8.300 nan 0.000 0.452 437 L N 7.588 128.387 121.223 -0.706 0.000 2.295 437 L HA 0.434 4.776 4.340 0.003 0.000 0.288 437 L C -0.070 176.199 176.870 -1.000 0.000 1.079 437 L CA 0.009 54.496 54.840 -0.590 0.000 0.830 437 L CB -0.070 41.822 42.059 -0.279 0.000 1.200 437 L HN 0.633 nan 8.230 nan 0.000 0.438 438 R N 3.356 123.539 120.500 -0.529 0.000 2.774 438 R HA 0.091 4.432 4.340 0.003 0.000 0.269 438 R C 0.859 177.043 176.300 -0.193 0.000 1.068 438 R CA -0.287 55.656 56.100 -0.261 0.000 1.180 438 R CB 0.418 30.722 30.300 0.006 0.000 1.077 438 R HN 0.624 nan 8.270 nan 0.000 0.513 439 E N 1.075 121.252 120.200 -0.038 0.000 2.204 439 E HA -0.193 4.158 4.350 0.003 0.000 0.195 439 E C 0.848 177.446 176.600 -0.003 0.000 0.990 439 E CA 1.377 57.781 56.400 0.006 0.000 0.821 439 E CB -0.023 29.745 29.700 0.113 0.000 0.750 439 E HN 0.592 nan 8.360 nan 0.000 0.477 440 D N -0.578 119.822 120.400 -0.001 0.000 2.363 440 D HA -0.016 4.626 4.640 0.003 0.000 0.226 440 D C 1.278 177.563 176.300 -0.026 0.000 1.020 440 D CA 0.808 54.807 54.000 -0.001 0.000 0.892 440 D CB 0.110 40.917 40.800 0.013 0.000 0.900 440 D HN 0.202 nan 8.370 nan 0.000 0.531 441 G N -0.231 108.532 108.800 -0.062 0.000 2.176 441 G HA2 -0.256 3.706 3.960 0.003 0.000 0.253 441 G HA3 -0.256 3.706 3.960 0.003 0.000 0.253 441 G C 0.460 175.298 174.900 -0.104 0.000 0.979 441 G CA 0.556 45.606 45.100 -0.083 0.000 0.641 441 G HN 0.826 nan 8.290 nan 0.000 0.530 442 T N -0.898 113.603 114.554 -0.089 0.000 2.934 442 T HA 0.760 5.112 4.350 0.003 0.000 0.283 442 T C 0.334 174.964 174.700 -0.117 0.000 1.005 442 T CA -0.877 61.170 62.100 -0.088 0.000 1.041 442 T CB 2.308 71.155 68.868 -0.036 0.000 1.042 442 T HN 0.457 nan 8.240 nan 0.000 0.505 443 L N 1.760 122.909 121.223 -0.123 0.000 2.357 443 L HA 0.576 4.918 4.340 0.003 0.000 0.273 443 L C 0.315 177.185 176.870 0.000 0.000 1.080 443 L CA -0.858 53.915 54.840 -0.111 0.000 0.803 443 L CB 1.232 43.186 42.059 -0.175 0.000 1.174 443 L HN 0.838 nan 8.230 nan 0.000 0.443 444 K N 2.799 123.245 120.400 0.077 0.000 2.427 444 K HA 0.601 4.923 4.320 0.003 0.000 0.252 444 K C -2.909 173.818 176.600 0.211 0.000 0.931 444 K CA -1.878 54.499 56.287 0.150 0.000 0.793 444 K CB 2.225 34.819 32.500 0.156 0.000 1.211 444 K HN 0.128 nan 8.250 nan 0.000 0.426 445 P HA -0.007 nan 4.420 nan 0.000 0.281 445 P C 0.462 177.942 177.300 0.300 0.000 1.252 445 P CA -0.556 62.792 63.100 0.413 0.000 0.778 445 P CB 1.455 33.608 31.700 0.754 0.000 0.895 446 V N 0.039 120.102 119.914 0.248 0.000 3.604 446 V HA 0.717 4.839 4.120 0.003 0.000 0.277 446 V C 0.375 176.522 176.094 0.088 0.000 1.399 446 V CA 0.249 62.601 62.300 0.086 0.000 1.034 446 V CB -0.216 31.629 31.823 0.037 0.000 0.824 446 V HN 0.687 nan 8.190 nan 0.000 0.439 447 A N -0.017 122.969 122.820 0.276 0.000 2.590 447 A HA 0.803 5.124 4.320 0.003 0.000 0.294 447 A C -1.543 176.284 177.584 0.404 0.000 1.046 447 A CA -0.410 51.812 52.037 0.309 0.000 0.684 447 A CB 1.246 20.364 19.000 0.196 0.000 1.279 447 A HN 0.274 nan 8.150 nan 0.000 0.415 448 I N 1.137 121.944 120.570 0.394 0.000 2.499 448 I HA 0.382 4.553 4.170 0.003 0.000 0.288 448 I C -0.337 175.870 176.117 0.150 0.000 1.048 448 I CA -0.217 61.230 61.300 0.245 0.000 1.062 448 I CB 2.138 40.215 38.000 0.128 0.000 1.238 448 I HN 0.849 nan 8.210 nan 0.000 0.426 449 E N 7.307 127.574 120.200 0.112 0.000 2.151 449 E HA 0.505 4.856 4.350 0.003 0.000 0.275 449 E C -1.471 175.139 176.600 0.017 0.000 0.936 449 E CA -0.601 55.840 56.400 0.069 0.000 0.777 449 E CB 1.268 31.021 29.700 0.088 0.000 1.108 449 E HN 0.520 nan 8.360 nan 0.000 0.401 450 L N 4.068 125.227 121.223 -0.106 0.000 2.283 450 L HA 0.356 4.698 4.340 0.003 0.000 0.281 450 L C -0.530 176.309 176.870 -0.053 0.000 1.033 450 L CA -0.554 54.094 54.840 -0.321 0.000 0.848 450 L CB 1.347 42.764 42.059 -1.071 0.000 1.226 450 L HN 0.447 nan 8.230 nan 0.000 0.429 451 S N 3.970 119.759 115.700 0.149 0.000 2.565 451 S HA 0.761 5.233 4.470 0.003 0.000 0.290 451 S C -0.272 174.442 174.600 0.189 0.000 1.150 451 S CA -0.552 57.770 58.200 0.204 0.000 1.058 451 S CB 1.867 65.197 63.200 0.216 0.000 1.032 451 S HN 0.354 nan 8.310 nan 0.000 0.510 452 L N 2.700 123.989 121.223 0.110 0.000 2.388 452 L HA 0.524 4.866 4.340 0.003 0.000 0.264 452 L C -2.647 174.030 176.870 -0.322 0.000 0.998 452 L CA -2.573 52.205 54.840 -0.103 0.000 0.817 452 L CB 2.246 44.220 42.059 -0.141 0.000 1.338 452 L HN 0.369 nan 8.230 nan 0.000 0.414 453 P HA 0.239 nan 4.420 nan 0.000 0.272 453 P C -1.495 175.544 177.300 -0.434 0.000 1.223 453 P CA -0.139 62.879 63.100 -0.138 0.000 0.784 453 P CB 0.433 32.171 31.700 0.063 0.000 0.923 454 H N -0.873 118.269 119.070 0.121 0.000 2.782 454 H HA 0.643 5.200 4.556 0.003 0.000 0.347 454 H C -0.772 174.586 175.328 0.049 0.000 1.038 454 H CA -0.498 55.593 56.048 0.073 0.000 1.255 454 H CB 1.687 31.491 29.762 0.070 0.000 1.623 454 H HN 0.226 nan 8.280 nan 0.000 0.525 455 S N 1.792 117.568 115.700 0.126 0.000 2.541 455 S HA 0.685 5.156 4.470 0.003 0.000 0.271 455 S C -0.778 173.852 174.600 0.051 0.000 1.133 455 S CA -0.501 57.732 58.200 0.055 0.000 0.876 455 S CB 0.935 64.135 63.200 -0.001 0.000 1.105 455 S HN 0.851 nan 8.310 nan 0.000 0.470 456 A N 1.758 124.597 122.820 0.031 0.000 2.565 456 A HA 0.477 4.799 4.320 0.003 0.000 0.237 456 A C 1.530 179.126 177.584 0.019 0.000 1.053 456 A CA 0.883 52.935 52.037 0.024 0.000 0.755 456 A CB -1.158 17.849 19.000 0.012 0.000 0.980 456 A HN 2.311 nan 8.150 nan 0.000 0.506 457 G N 1.724 110.537 108.800 0.022 0.000 2.176 457 G HA2 -0.200 3.762 3.960 0.003 0.000 0.253 457 G HA3 -0.200 3.762 3.960 0.003 0.000 0.253 457 G C -0.012 174.902 174.900 0.023 0.000 0.979 457 G CA 0.277 45.388 45.100 0.018 0.000 0.641 457 G HN 0.897 nan 8.290 nan 0.000 0.530 458 D N 0.132 120.553 120.400 0.036 0.000 2.533 458 D HA 0.236 4.878 4.640 0.003 0.000 0.236 458 D C 1.856 178.179 176.300 0.038 0.000 1.137 458 D CA 0.046 54.071 54.000 0.042 0.000 0.867 458 D CB 0.764 41.609 40.800 0.075 0.000 1.170 458 D HN 0.225 nan 8.370 nan 0.000 0.474 459 L N 1.261 122.502 121.223 0.029 0.000 2.179 459 L HA -0.045 4.297 4.340 0.003 0.000 0.208 459 L C 1.444 178.333 176.870 0.032 0.000 1.096 459 L CA 0.519 55.375 54.840 0.026 0.000 0.779 459 L CB -0.087 41.983 42.059 0.019 0.000 0.922 459 L HN 0.203 nan 8.230 nan 0.000 0.443 460 S N -0.251 115.471 115.700 0.036 0.000 2.548 460 S HA 0.357 4.828 4.470 0.003 0.000 0.277 460 S C 0.929 175.569 174.600 0.066 0.000 1.315 460 S CA -0.013 58.212 58.200 0.041 0.000 1.050 460 S CB 1.663 64.879 63.200 0.027 0.000 0.918 460 S HN 0.248 nan 8.310 nan 0.000 0.497 461 A N 4.256 127.112 122.820 0.061 0.000 2.238 461 A HA 0.562 4.884 4.320 0.003 0.000 0.210 461 A C 1.113 178.752 177.584 0.093 0.000 1.179 461 A CA 0.417 52.495 52.037 0.068 0.000 0.827 461 A CB -0.654 18.375 19.000 0.048 0.000 0.856 461 A HN 1.161 nan 8.150 nan 0.000 0.488 462 A N 0.406 123.284 122.820 0.098 0.000 2.540 462 A HA 0.443 4.765 4.320 0.003 0.000 0.239 462 A C 0.460 178.177 177.584 0.222 0.000 1.061 462 A CA 0.680 52.790 52.037 0.122 0.000 0.758 462 A CB -0.346 18.692 19.000 0.064 0.000 0.991 462 A HN 1.403 nan 8.150 nan 0.000 0.502 463 V N 0.217 120.266 119.914 0.225 0.000 3.074 463 V HA 0.782 4.903 4.120 0.003 0.000 0.314 463 V C 0.243 176.513 176.094 0.293 0.000 1.117 463 V CA -0.683 61.788 62.300 0.284 0.000 1.014 463 V CB 1.423 33.304 31.823 0.097 0.000 1.057 463 V HN 0.872 nan 8.190 nan 0.000 0.438 464 S N 2.312 118.217 115.700 0.341 0.000 2.584 464 S HA 0.497 4.969 4.470 0.003 0.000 0.270 464 S C -0.212 174.462 174.600 0.123 0.000 1.346 464 S CA -0.286 58.065 58.200 0.251 0.000 1.018 464 S CB 0.226 63.585 63.200 0.264 0.000 0.899 464 S HN 1.083 nan 8.310 nan 0.000 0.542 465 Q N -1.067 118.756 119.800 0.039 0.000 2.578 465 Q HA 0.616 4.958 4.340 0.003 0.000 0.284 465 Q C -2.112 173.887 176.000 -0.002 0.000 0.960 465 Q CA -1.002 54.813 55.803 0.019 0.000 0.809 465 Q CB 1.049 29.799 28.738 0.020 0.000 1.462 465 Q HN 0.366 nan 8.270 nan 0.000 0.392 466 V N 1.279 121.216 119.914 0.038 0.000 2.435 466 V HA 0.588 4.709 4.120 0.003 0.000 0.290 466 V C -0.493 175.655 176.094 0.090 0.000 1.030 466 V CA -0.601 61.739 62.300 0.068 0.000 0.881 466 V CB 1.617 33.489 31.823 0.083 0.000 0.983 466 V HN 0.614 nan 8.190 nan 0.000 0.445 467 V N 6.027 126.030 119.914 0.148 0.000 2.604 467 V HA 0.550 4.671 4.120 0.003 0.000 0.305 467 V C -0.270 176.014 176.094 0.317 0.000 1.043 467 V CA -0.540 61.895 62.300 0.226 0.000 0.888 467 V CB 1.827 33.809 31.823 0.266 0.000 0.995 467 V HN 0.632 nan 8.190 nan 0.000 0.429 468 L N 4.639 125.944 121.223 0.137 0.000 2.322 468 L HA 0.589 4.930 4.340 0.003 0.000 0.269 468 L C -2.471 174.040 176.870 -0.598 0.000 1.012 468 L CA -2.146 52.609 54.840 -0.142 0.000 0.815 468 L CB 2.098 44.080 42.059 -0.128 0.000 1.295 468 L HN 0.382 nan 8.230 nan 0.000 0.438 469 P HA 0.125 nan 4.420 nan 0.000 0.265 469 P C -1.193 175.629 177.300 -0.797 0.000 1.187 469 P CA 0.122 62.171 63.100 -1.753 0.000 0.766 469 P CB 0.645 31.651 31.700 -1.157 0.000 0.820 470 A N 2.717 125.156 122.820 -0.634 0.000 2.540 470 A HA 0.395 4.716 4.320 0.003 0.000 0.297 470 A C 0.197 177.689 177.584 -0.155 0.000 1.056 470 A CA -0.565 51.318 52.037 -0.257 0.000 0.700 470 A CB 1.321 20.249 19.000 -0.119 0.000 1.280 470 A HN 0.434 nan 8.150 nan 0.000 0.398 471 K N 0.384 120.713 120.400 -0.119 0.000 2.360 471 K HA 0.184 4.506 4.320 0.003 0.000 0.196 471 K C -0.053 176.500 176.600 -0.077 0.000 1.049 471 K CA 0.616 56.852 56.287 -0.085 0.000 1.049 471 K CB 0.713 33.162 32.500 -0.084 0.000 0.881 471 K HN 0.792 nan 8.250 nan 0.000 0.542 472 E N -0.185 119.972 120.200 -0.071 0.000 2.359 472 E HA 0.453 4.804 4.350 0.003 0.000 0.266 472 E C -0.098 176.469 176.600 -0.055 0.000 0.920 472 E CA -0.697 55.663 56.400 -0.066 0.000 0.788 472 E CB 1.903 31.571 29.700 -0.053 0.000 1.279 472 E HN 0.143 nan 8.360 nan 0.000 0.438 473 G N -0.032 108.734 108.800 -0.056 0.000 2.692 473 G HA2 -0.310 3.652 3.960 0.003 0.000 0.248 473 G HA3 -0.310 3.652 3.960 0.003 0.000 0.248 473 G C 0.704 175.579 174.900 -0.041 0.000 1.340 473 G CA -0.162 44.915 45.100 -0.038 0.000 0.896 473 G HN 0.549 nan 8.290 nan 0.000 0.570 474 V N 0.353 120.256 119.914 -0.019 0.000 2.720 474 V HA -0.065 4.057 4.120 0.003 0.000 0.256 474 V C 2.605 178.691 176.094 -0.014 0.000 1.082 474 V CA 3.232 65.509 62.300 -0.038 0.000 1.101 474 V CB -0.550 31.244 31.823 -0.049 0.000 0.693 474 V HN 0.722 nan 8.190 nan 0.000 0.479 475 E N 0.725 120.933 120.200 0.014 0.000 2.106 475 E HA -0.140 4.212 4.350 0.003 0.000 0.192 475 E C 2.418 179.056 176.600 0.064 0.000 0.984 475 E CA 1.499 57.923 56.400 0.041 0.000 0.806 475 E CB -0.417 29.294 29.700 0.019 0.000 0.750 475 E HN 0.836 nan 8.360 nan 0.000 0.458 476 S N -0.597 115.116 115.700 0.022 0.000 2.402 476 S HA -0.120 4.351 4.470 0.003 0.000 0.229 476 S C 2.006 176.647 174.600 0.069 0.000 1.021 476 S CA 1.434 59.661 58.200 0.045 0.000 0.974 476 S CB -0.547 62.628 63.200 -0.042 0.000 0.800 476 S HN 0.146 nan 8.310 nan 0.000 0.484 477 T N 2.587 117.149 114.554 0.013 0.000 2.812 477 T HA 0.216 4.568 4.350 0.003 0.000 0.264 477 T C 1.717 176.467 174.700 0.084 0.000 1.042 477 T CA 1.231 63.351 62.100 0.035 0.000 1.140 477 T CB -0.407 68.467 68.868 0.011 0.000 0.870 477 T HN 0.385 nan 8.240 nan 0.000 0.445 478 I N 0.330 120.948 120.570 0.079 0.000 2.226 478 I HA -0.170 4.002 4.170 0.003 0.000 0.245 478 I C 2.459 178.673 176.117 0.162 0.000 1.100 478 I CA 1.243 62.609 61.300 0.110 0.000 1.374 478 I CB -0.304 37.760 38.000 0.106 0.000 1.057 478 I HN 0.468 nan 8.210 nan 0.000 0.413 479 W N 1.698 122.993 121.300 -0.009 0.000 2.363 479 W HA -0.239 4.423 4.660 0.003 0.000 0.296 479 W C 2.267 178.758 176.519 -0.046 0.000 1.212 479 W CA 1.005 58.330 57.345 -0.033 0.000 1.260 479 W CB -0.087 29.338 29.460 -0.058 0.000 1.131 479 W HN 0.159 nan 8.180 nan 0.000 0.530 480 L N 1.558 122.757 121.223 -0.039 0.000 2.056 480 L HA -0.159 4.183 4.340 0.003 0.000 0.207 480 L C 2.425 179.278 176.870 -0.028 0.000 1.078 480 L CA 1.909 56.680 54.840 -0.115 0.000 0.749 480 L CB -1.122 40.965 42.059 0.046 0.000 0.901 480 L HN -0.033 nan 8.230 nan 0.000 0.433 481 L N -0.554 120.694 121.223 0.041 0.000 2.083 481 L HA -0.157 4.185 4.340 0.003 0.000 0.209 481 L C 2.701 179.499 176.870 -0.120 0.000 1.083 481 L CA 1.070 55.878 54.840 -0.053 0.000 0.752 481 L CB -0.961 41.119 42.059 0.035 0.000 0.899 481 L HN 0.392 nan 8.230 nan 0.000 0.433 482 A N 0.245 123.029 122.820 -0.061 0.000 1.908 482 A HA -0.232 4.090 4.320 0.003 0.000 0.218 482 A C 2.334 179.762 177.584 -0.260 0.000 1.181 482 A CA 1.732 53.733 52.037 -0.061 0.000 0.627 482 A CB -0.363 18.537 19.000 -0.167 0.000 0.818 482 A HN 0.315 nan 8.150 nan 0.000 0.445 483 K N -0.390 119.646 120.400 -0.606 0.000 2.097 483 K HA -0.081 4.240 4.320 0.003 0.000 0.206 483 K C 2.312 178.783 176.600 -0.215 0.000 1.049 483 K CA 1.067 56.941 56.287 -0.689 0.000 0.933 483 K CB -0.334 31.464 32.500 -1.171 0.000 0.717 483 K HN 0.461 nan 8.250 nan 0.000 0.442 484 A N 0.801 123.511 122.820 -0.183 0.000 1.877 484 A HA -0.185 4.136 4.320 0.003 0.000 0.216 484 A C 1.886 179.337 177.584 -0.222 0.000 1.186 484 A CA 1.363 53.273 52.037 -0.212 0.000 0.620 484 A CB -0.802 17.903 19.000 -0.491 0.000 0.822 484 A HN 0.258 nan 8.150 nan 0.000 0.443 485 Y N -0.211 120.047 120.300 -0.069 0.000 2.224 485 Y HA -0.160 4.391 4.550 0.002 0.000 0.289 485 Y C 2.614 178.489 175.900 -0.041 0.000 1.146 485 Y CA 1.217 59.302 58.100 -0.024 0.000 1.182 485 Y CB -0.810 37.687 38.460 0.063 0.000 0.983 485 Y HN 0.094 nan 8.280 nan 0.000 0.524 486 V N -0.124 119.874 119.914 0.140 0.000 2.295 486 V HA -0.284 3.838 4.120 0.003 0.000 0.246 486 V C 2.198 178.362 176.094 0.117 0.000 1.049 486 V CA 1.488 63.882 62.300 0.158 0.000 1.024 486 V CB -0.561 31.434 31.823 0.286 0.000 0.648 486 V HN 0.324 nan 8.190 nan 0.000 0.447 487 I N -0.302 120.348 120.570 0.134 0.000 2.493 487 I HA -0.129 4.042 4.170 0.003 0.000 0.254 487 I C 2.422 178.544 176.117 0.009 0.000 1.160 487 I CA 1.193 62.550 61.300 0.095 0.000 1.445 487 I CB -1.113 36.960 38.000 0.122 0.000 1.086 487 I HN 0.167 nan 8.210 nan 0.000 0.433 488 V N 1.268 121.160 119.914 -0.037 0.000 2.343 488 V HA -0.277 3.844 4.120 0.003 0.000 0.247 488 V C 2.205 178.241 176.094 -0.095 0.000 1.051 488 V CA 1.855 64.125 62.300 -0.050 0.000 1.036 488 V CB -0.827 30.965 31.823 -0.052 0.000 0.654 488 V HN 0.476 nan 8.190 nan 0.000 0.451 489 N N -0.127 118.398 118.700 -0.292 0.000 2.069 489 N HA -0.251 4.490 4.740 0.003 0.000 0.191 489 N C 1.675 176.858 175.510 -0.545 0.000 1.031 489 N CA 1.755 54.331 53.050 -0.790 0.000 0.852 489 N CB -0.148 37.743 38.487 -0.992 0.000 1.018 489 N HN 0.563 nan 8.380 nan 0.000 0.423 490 D N -0.001 120.209 120.400 -0.317 0.000 2.117 490 D HA -0.039 4.603 4.640 0.003 0.000 0.198 490 D C 1.825 178.228 176.300 0.172 0.000 0.982 490 D CA 0.937 54.909 54.000 -0.048 0.000 0.828 490 D CB 0.171 41.072 40.800 0.169 0.000 0.967 490 D HN 0.022 nan 8.370 nan 0.000 0.464 491 S N -0.985 114.818 115.700 0.172 0.000 2.368 491 S HA -0.163 4.309 4.470 0.003 0.000 0.225 491 S C 2.206 177.078 174.600 0.453 0.000 1.030 491 S CA 0.759 59.154 58.200 0.326 0.000 0.999 491 S CB -0.371 62.986 63.200 0.263 0.000 0.844 491 S HN 0.485 nan 8.310 nan 0.000 0.459 492 C N 0.161 119.692 119.300 0.385 0.000 2.432 492 C HA -0.049 4.413 4.460 0.003 0.000 0.277 492 C C 2.346 177.462 174.990 0.211 0.000 1.249 492 C CA 0.419 59.643 59.018 0.342 0.000 1.725 492 C CB -1.261 26.747 27.740 0.447 0.000 2.028 492 C HN 0.688 nan 8.230 nan 0.000 0.477 493 Y N 0.354 120.753 120.300 0.165 0.000 2.200 493 Y HA -0.191 4.361 4.550 0.003 0.000 0.290 493 Y C 2.831 178.828 175.900 0.162 0.000 1.137 493 Y CA 2.185 60.375 58.100 0.151 0.000 1.163 493 Y CB -0.729 37.842 38.460 0.185 0.000 0.988 493 Y HN 0.498 nan 8.280 nan 0.000 0.518 494 H N -0.308 118.937 119.070 0.290 0.000 2.319 494 H HA -0.182 4.375 4.556 0.003 0.000 0.299 494 H C 1.880 177.288 175.328 0.133 0.000 1.092 494 H CA 2.058 58.235 56.048 0.214 0.000 1.302 494 H CB 0.036 29.914 29.762 0.194 0.000 1.373 494 H HN 0.344 nan 8.280 nan 0.000 0.497 495 E N 0.498 120.655 120.200 -0.071 0.000 2.072 495 E HA -0.041 4.311 4.350 0.003 0.000 0.190 495 E C 2.698 179.177 176.600 -0.202 0.000 0.982 495 E CA 0.900 57.187 56.400 -0.188 0.000 0.803 495 E CB -0.160 29.312 29.700 -0.380 0.000 0.755 495 E HN 0.511 nan 8.360 nan 0.000 0.453 496 L N -0.749 120.344 121.223 -0.216 0.000 2.162 496 L HA -0.031 4.310 4.340 0.003 0.000 0.205 496 L C 1.933 178.748 176.870 -0.092 0.000 1.086 496 L CA 0.502 55.255 54.840 -0.146 0.000 0.778 496 L CB -0.192 41.746 42.059 -0.201 0.000 0.928 496 L HN 0.195 nan 8.230 nan 0.000 0.446 497 M N -1.578 117.855 119.600 -0.279 0.000 2.962 497 M HA 0.123 4.605 4.480 0.003 0.000 0.242 497 M C 2.414 178.618 176.300 -0.160 0.000 1.396 497 M CA 0.847 55.945 55.300 -0.336 0.000 1.287 497 M CB -1.146 30.885 32.600 -0.947 0.000 1.168 497 M HN -0.096 nan 8.290 nan 0.000 0.557 498 S N 0.124 115.741 115.700 -0.137 0.000 2.370 498 S HA -0.171 4.301 4.470 0.003 0.000 0.226 498 S C 1.901 176.536 174.600 0.058 0.000 1.033 498 S CA 1.629 59.857 58.200 0.046 0.000 1.011 498 S CB -0.497 62.786 63.200 0.140 0.000 0.852 498 S HN 0.539 nan 8.310 nan 0.000 0.457 499 H N -1.203 117.755 119.070 -0.188 0.000 2.300 499 H HA 0.003 4.561 4.556 0.003 0.000 0.322 499 H C 2.180 177.562 175.328 0.090 0.000 1.088 499 H CA 0.448 56.447 56.048 -0.083 0.000 1.532 499 H CB -0.350 29.248 29.762 -0.274 0.000 1.488 499 H HN 0.464 nan 8.280 nan 0.000 0.607 500 W N 1.621 122.794 121.300 -0.212 0.000 2.332 500 W HA -0.254 4.408 4.660 0.003 0.000 0.321 500 W C 2.089 178.550 176.519 -0.096 0.000 1.219 500 W CA 1.505 58.702 57.345 -0.246 0.000 1.277 500 W CB -0.624 28.648 29.460 -0.313 0.000 1.161 500 W HN 0.367 nan 8.180 nan 0.000 0.476 501 L N 2.298 123.352 121.223 -0.281 0.000 1.976 501 L HA -0.226 4.116 4.340 0.003 0.000 0.209 501 L C 2.020 178.713 176.870 -0.295 0.000 1.071 501 L CA 2.398 56.998 54.840 -0.401 0.000 0.746 501 L CB -1.440 40.533 42.059 -0.144 0.000 0.890 501 L HN -0.113 nan 8.230 nan 0.000 0.432 502 N N -1.064 117.609 118.700 -0.044 0.000 2.453 502 N HA -0.096 4.645 4.740 0.003 0.000 0.183 502 N C 1.452 177.053 175.510 0.152 0.000 1.041 502 N CA 1.427 54.570 53.050 0.154 0.000 0.900 502 N CB -0.265 38.371 38.487 0.248 0.000 0.961 502 N HN 0.728 nan 8.380 nan 0.000 0.443 503 T N -2.922 111.660 114.554 0.048 0.000 3.478 503 T HA 0.088 4.440 4.350 0.003 0.000 0.223 503 T C 1.580 176.186 174.700 -0.156 0.000 0.958 503 T CA -0.041 62.089 62.100 0.048 0.000 1.324 503 T CB -0.279 68.708 68.868 0.198 0.000 1.262 503 T HN 0.005 nan 8.240 nan 0.000 0.379 504 H N 1.874 120.762 119.070 -0.302 0.000 2.255 504 H HA -0.102 4.456 4.556 0.003 0.000 0.290 504 H C 2.678 177.600 175.328 -0.678 0.000 1.087 504 H CA 2.199 57.929 56.048 -0.529 0.000 1.213 504 H CB -0.684 28.581 29.762 -0.829 0.000 1.349 504 H HN 0.586 nan 8.280 nan 0.000 0.487 505 A N 1.007 123.255 122.820 -0.952 0.000 1.897 505 A HA 0.024 4.346 4.320 0.003 0.000 0.215 505 A C 2.661 179.949 177.584 -0.493 0.000 1.181 505 A CA 1.487 53.050 52.037 -0.790 0.000 0.620 505 A CB -0.706 17.631 19.000 -1.104 0.000 0.821 505 A HN 0.461 nan 8.150 nan 0.000 0.443 506 A N -1.342 121.255 122.820 -0.372 0.000 2.015 506 A HA -0.019 4.302 4.320 0.003 0.000 0.219 506 A C 2.083 179.799 177.584 0.220 0.000 1.163 506 A CA 2.008 53.985 52.037 -0.100 0.000 0.646 506 A CB -0.385 18.637 19.000 0.037 0.000 0.806 506 A HN 0.516 nan 8.150 nan 0.000 0.448 507 M N -0.289 119.402 119.600 0.152 0.000 2.334 507 M HA 0.062 4.543 4.480 0.003 0.000 0.266 507 M C 1.696 178.068 176.300 0.120 0.000 1.082 507 M CA 1.696 57.182 55.300 0.311 0.000 1.141 507 M CB -0.421 32.299 32.600 0.200 0.000 1.380 507 M HN 0.537 nan 8.290 nan 0.000 0.440 508 E N -0.031 120.138 120.200 -0.052 0.000 2.070 508 E HA -0.205 4.146 4.350 0.003 0.000 0.197 508 E C -0.957 175.574 176.600 -0.115 0.000 1.004 508 E CA 1.733 58.081 56.400 -0.085 0.000 0.805 508 E CB -0.952 28.706 29.700 -0.070 0.000 0.744 508 E HN 0.328 nan 8.360 nan 0.000 0.451 509 P HA -0.171 nan 4.420 nan 0.000 0.216 509 P C 0.689 177.856 177.300 -0.222 0.000 1.153 509 P CA 1.392 64.333 63.100 -0.266 0.000 0.858 509 P CB -0.113 31.158 31.700 -0.715 0.000 0.789 510 F N -1.501 118.489 119.950 0.067 0.000 2.259 510 F HA -0.106 4.423 4.527 0.003 0.000 0.298 510 F C 2.280 178.037 175.800 -0.072 0.000 1.088 510 F CA 0.777 58.844 58.000 0.111 0.000 1.358 510 F CB -1.603 37.564 39.000 0.277 0.000 1.040 510 F HN -0.249 nan 8.300 nan 0.000 0.505 511 V N 0.395 120.159 119.914 -0.250 0.000 2.270 511 V HA -0.281 3.841 4.120 0.003 0.000 0.245 511 V C 2.353 178.468 176.094 0.036 0.000 1.043 511 V CA 1.717 63.714 62.300 -0.504 0.000 1.014 511 V CB -0.631 30.984 31.823 -0.347 0.000 0.645 511 V HN 0.249 nan 8.190 nan 0.000 0.447 512 I N 0.677 121.280 120.570 0.054 0.000 2.099 512 I HA -0.295 3.876 4.170 0.003 0.000 0.239 512 I C 2.735 178.917 176.117 0.107 0.000 1.066 512 I CA 1.794 63.125 61.300 0.052 0.000 1.324 512 I CB -0.714 37.117 38.000 -0.282 0.000 1.037 512 I HN 0.293 nan 8.210 nan 0.000 0.401 513 A N 0.289 123.247 122.820 0.230 0.000 1.908 513 A HA -0.239 4.083 4.320 0.003 0.000 0.218 513 A C 2.377 180.330 177.584 0.616 0.000 1.181 513 A CA 2.630 54.920 52.037 0.423 0.000 0.627 513 A CB -1.216 17.943 19.000 0.265 0.000 0.818 513 A HN 0.448 nan 8.150 nan 0.000 0.445 514 T N -0.835 114.076 114.554 0.595 0.000 2.708 514 T HA -0.148 4.203 4.350 0.003 0.000 0.266 514 T C 1.802 176.556 174.700 0.090 0.000 1.037 514 T CA 1.551 63.879 62.100 0.379 0.000 1.146 514 T CB -0.472 68.574 68.868 0.297 0.000 0.865 514 T HN 0.630 nan 8.240 nan 0.000 0.435 515 H N 0.774 119.856 119.070 0.020 0.000 2.462 515 H HA 0.151 4.709 4.556 0.003 0.000 0.292 515 H C 2.473 177.694 175.328 -0.179 0.000 1.049 515 H CA 0.857 56.774 56.048 -0.219 0.000 1.334 515 H CB 0.089 29.183 29.762 -1.113 0.000 1.404 515 H HN 0.298 nan 8.280 nan 0.000 0.544 516 R N -0.444 120.062 120.500 0.010 0.000 2.153 516 R HA -0.028 4.314 4.340 0.003 0.000 0.218 516 R C 1.112 177.226 176.300 -0.311 0.000 1.072 516 R CA 0.760 56.796 56.100 -0.106 0.000 0.990 516 R CB 0.291 30.551 30.300 -0.066 0.000 0.889 516 R HN 0.427 nan 8.270 nan 0.000 0.452 517 H N -1.417 117.771 119.070 0.197 0.000 3.457 517 H HA 0.255 4.812 4.556 0.003 0.000 0.255 517 H C -0.097 175.294 175.328 0.104 0.000 1.082 517 H CA 0.035 56.200 56.048 0.196 0.000 1.189 517 H CB 0.979 30.941 29.762 0.334 0.000 1.511 517 H HN -0.038 nan 8.280 nan 0.000 0.527 518 L N 1.837 123.129 121.223 0.115 0.000 2.287 518 L HA 0.280 4.622 4.340 0.003 0.000 0.287 518 L C 0.703 177.555 176.870 -0.030 0.000 1.022 518 L CA -0.542 54.266 54.840 -0.053 0.000 0.814 518 L CB 2.010 43.903 42.059 -0.278 0.000 1.217 518 L HN -0.030 nan 8.230 nan 0.000 0.420 519 S N 1.449 117.102 115.700 -0.077 0.000 2.579 519 S HA 0.080 4.552 4.470 0.003 0.000 0.275 519 S C 1.378 175.619 174.600 -0.600 0.000 1.345 519 S CA -0.589 57.451 58.200 -0.268 0.000 1.031 519 S CB 1.359 64.413 63.200 -0.242 0.000 0.892 519 S HN 0.460 nan 8.310 nan 0.000 0.529 520 V N 3.629 123.038 119.914 -0.842 0.000 2.828 520 V HA -0.104 4.017 4.120 0.003 0.000 0.260 520 V C 1.813 177.574 176.094 -0.555 0.000 1.101 520 V CA 1.659 63.275 62.300 -1.140 0.000 1.123 520 V CB -1.251 30.253 31.823 -0.532 0.000 0.704 520 V HN 0.795 nan 8.190 nan 0.000 0.493 521 L N -1.019 119.942 121.223 -0.435 0.000 2.270 521 L HA 0.137 4.478 4.340 0.003 0.000 0.210 521 L C 1.651 178.423 176.870 -0.163 0.000 1.104 521 L CA 0.393 55.072 54.840 -0.268 0.000 0.804 521 L CB -0.585 41.312 42.059 -0.269 0.000 0.937 521 L HN 0.374 nan 8.230 nan 0.000 0.450 522 H N 2.516 121.462 119.070 -0.206 0.000 2.964 522 H HA -0.001 4.556 4.556 0.003 0.000 0.328 522 H C -1.538 173.722 175.328 -0.113 0.000 1.030 522 H CA -1.414 54.558 56.048 -0.126 0.000 1.445 522 H CB 1.417 31.129 29.762 -0.084 0.000 1.449 522 H HN -0.062 nan 8.280 nan 0.000 0.581 523 P HA -0.157 nan 4.420 nan 0.000 0.218 523 P C 1.514 178.934 177.300 0.199 0.000 1.149 523 P CA 0.798 63.773 63.100 -0.210 0.000 0.817 523 P CB 0.490 31.556 31.700 -1.055 0.000 0.785 524 I N -1.646 119.140 120.570 0.361 0.000 2.617 524 I HA -0.159 4.013 4.170 0.003 0.000 0.256 524 I C 2.531 178.579 176.117 -0.116 0.000 1.167 524 I CA 0.695 62.017 61.300 0.037 0.000 1.469 524 I CB -1.748 36.126 38.000 -0.211 0.000 1.098 524 I HN -0.077 nan 8.210 nan 0.000 0.436 525 Y N 2.460 122.659 120.300 -0.167 0.000 2.163 525 Y HA -0.202 4.350 4.550 0.003 0.000 0.288 525 Y C 2.477 178.283 175.900 -0.156 0.000 1.136 525 Y CA 1.816 59.791 58.100 -0.208 0.000 1.147 525 Y CB -0.115 38.255 38.460 -0.150 0.000 0.987 525 Y HN 0.026 nan 8.280 nan 0.000 0.509 526 K N -0.410 120.124 120.400 0.224 0.000 2.148 526 K HA -0.148 4.174 4.320 0.003 0.000 0.204 526 K C 1.905 178.426 176.600 -0.132 0.000 1.050 526 K CA 1.339 57.716 56.287 0.151 0.000 0.942 526 K CB -0.326 32.380 32.500 0.344 0.000 0.724 526 K HN 0.299 nan 8.250 nan 0.000 0.446 527 L N 0.985 122.089 121.223 -0.199 0.000 2.072 527 L HA -0.091 4.250 4.340 0.003 0.000 0.205 527 L C 1.744 178.457 176.870 -0.262 0.000 1.079 527 L CA 1.574 56.176 54.840 -0.396 0.000 0.752 527 L CB -0.091 41.646 42.059 -0.537 0.000 0.906 527 L HN 0.089 nan 8.230 nan 0.000 0.436 528 L N -1.323 119.714 121.223 -0.311 0.000 2.202 528 L HA -0.036 4.305 4.340 0.003 0.000 0.205 528 L C 2.457 178.814 176.870 -0.855 0.000 1.083 528 L CA 1.094 55.690 54.840 -0.407 0.000 0.790 528 L CB -1.100 40.762 42.059 -0.329 0.000 0.942 528 L HN 0.392 nan 8.230 nan 0.000 0.452 529 T N -2.085 111.954 114.554 -0.859 0.000 2.778 529 T HA -0.108 4.244 4.350 0.003 0.000 0.269 529 T C -0.551 173.828 174.700 -0.535 0.000 1.050 529 T CA 0.833 62.436 62.100 -0.829 0.000 1.137 529 T CB -1.635 66.771 68.868 -0.770 0.000 0.860 529 T HN 0.165 nan 8.240 nan 0.000 0.468 530 P HA -0.056 nan 4.420 nan 0.000 0.220 530 P C 1.100 178.098 177.300 -0.504 0.000 1.148 530 P CA 0.938 63.741 63.100 -0.494 0.000 0.803 530 P CB -0.180 31.126 31.700 -0.655 0.000 0.782 531 H N -2.719 116.187 119.070 -0.273 0.000 2.543 531 H HA 0.101 4.658 4.556 0.003 0.000 0.269 531 H C 0.451 175.832 175.328 0.089 0.000 1.005 531 H CA 0.728 56.706 56.048 -0.115 0.000 1.146 531 H CB -0.009 29.687 29.762 -0.111 0.000 1.353 531 H HN 0.281 nan 8.280 nan 0.000 0.595 532 Y N -0.103 120.234 120.300 0.061 0.000 2.481 532 Y HA 0.171 4.722 4.550 0.003 0.000 0.247 532 Y C 1.366 177.305 175.900 0.065 0.000 1.151 532 Y CA -0.936 57.216 58.100 0.087 0.000 1.238 532 Y CB 0.050 38.584 38.460 0.124 0.000 1.179 532 Y HN -0.057 nan 8.280 nan 0.000 0.524 533 R N 2.454 123.050 120.500 0.160 0.000 2.485 533 R HA -0.165 4.177 4.340 0.003 0.000 0.304 533 R C 0.518 176.884 176.300 0.109 0.000 0.934 533 R CA 0.897 57.064 56.100 0.112 0.000 1.102 533 R CB -0.183 30.142 30.300 0.042 0.000 0.906 533 R HN 0.387 nan 8.270 nan 0.000 0.407 534 N N 1.707 120.475 118.700 0.114 0.000 2.900 534 N HA -0.308 4.433 4.740 0.003 0.000 0.240 534 N C 0.452 176.020 175.510 0.096 0.000 0.953 534 N CA 1.672 54.785 53.050 0.106 0.000 0.950 534 N CB -1.386 37.176 38.487 0.124 0.000 1.102 534 N HN 0.863 nan 8.380 nan 0.000 0.593 535 N N -0.616 118.137 118.700 0.089 0.000 2.058 535 N HA -0.073 4.668 4.740 0.003 0.000 0.191 535 N C 1.681 177.233 175.510 0.069 0.000 1.037 535 N CA 1.547 54.630 53.050 0.055 0.000 0.848 535 N CB -0.099 38.416 38.487 0.047 0.000 1.021 535 N HN 0.347 nan 8.380 nan 0.000 0.422 536 M N 0.335 119.968 119.600 0.055 0.000 2.159 536 M HA -0.145 4.337 4.480 0.003 0.000 0.263 536 M C 1.881 178.198 176.300 0.028 0.000 1.063 536 M CA 1.086 56.401 55.300 0.025 0.000 1.110 536 M CB -0.377 32.208 32.600 -0.025 0.000 1.374 536 M HN 0.247 nan 8.290 nan 0.000 0.411 537 N N 1.264 119.984 118.700 0.033 0.000 2.039 537 N HA -0.160 4.582 4.740 0.003 0.000 0.193 537 N C 1.456 177.010 175.510 0.073 0.000 1.044 537 N CA 1.343 54.414 53.050 0.034 0.000 0.847 537 N CB -0.232 38.283 38.487 0.047 0.000 1.030 537 N HN 0.209 nan 8.380 nan 0.000 0.422 538 I N 0.959 121.598 120.570 0.116 0.000 2.361 538 I HA -0.169 4.002 4.170 0.003 0.000 0.251 538 I C 1.364 177.592 176.117 0.185 0.000 1.133 538 I CA 1.287 62.678 61.300 0.152 0.000 1.413 538 I CB -0.634 37.499 38.000 0.221 0.000 1.073 538 I HN 0.147 nan 8.210 nan 0.000 0.424 539 N N 1.043 119.879 118.700 0.227 0.000 2.142 539 N HA -0.064 4.678 4.740 0.003 0.000 0.186 539 N C 1.904 177.548 175.510 0.222 0.000 1.023 539 N CA 1.597 54.841 53.050 0.323 0.000 0.852 539 N CB -0.569 38.082 38.487 0.275 0.000 0.998 539 N HN 0.508 nan 8.380 nan 0.000 0.424 540 A N 0.668 123.565 122.820 0.128 0.000 1.898 540 A HA -0.028 4.293 4.320 0.003 0.000 0.216 540 A C 2.244 179.823 177.584 -0.009 0.000 1.181 540 A CA 0.929 53.039 52.037 0.121 0.000 0.620 540 A CB -0.746 18.314 19.000 0.100 0.000 0.819 540 A HN 0.229 nan 8.150 nan 0.000 0.442 541 L N -0.755 120.444 121.223 -0.039 0.000 2.141 541 L HA -0.158 4.184 4.340 0.003 0.000 0.209 541 L C 3.013 179.773 176.870 -0.183 0.000 1.094 541 L CA 0.881 55.638 54.840 -0.139 0.000 0.763 541 L CB -0.442 41.582 42.059 -0.057 0.000 0.908 541 L HN 0.435 nan 8.230 nan 0.000 0.437 542 A N 0.126 122.891 122.820 -0.092 0.000 1.898 542 A HA -0.166 4.156 4.320 0.003 0.000 0.216 542 A C 2.390 179.828 177.584 -0.244 0.000 1.181 542 A CA 1.200 53.136 52.037 -0.168 0.000 0.620 542 A CB -0.399 18.538 19.000 -0.106 0.000 0.819 542 A HN 0.296 nan 8.150 nan 0.000 0.442 543 R N -0.693 119.729 120.500 -0.129 0.000 2.120 543 R HA -0.170 4.172 4.340 0.003 0.000 0.234 543 R C 2.426 178.570 176.300 -0.261 0.000 1.123 543 R CA 1.556 57.616 56.100 -0.067 0.000 0.975 543 R CB -0.246 30.160 30.300 0.178 0.000 0.866 543 R HN 0.818 nan 8.270 nan 0.000 0.446 544 Q N -0.273 119.115 119.800 -0.687 0.000 2.163 544 Q HA -0.019 4.323 4.340 0.003 0.000 0.198 544 Q C 0.887 176.613 176.000 -0.456 0.000 0.954 544 Q CA 1.370 56.566 55.803 -1.011 0.000 0.851 544 Q CB 0.446 28.248 28.738 -1.560 0.000 0.928 544 Q HN 0.132 nan 8.270 nan 0.000 0.459 545 S N -0.780 114.720 115.700 -0.334 0.000 2.649 545 S HA 0.119 4.591 4.470 0.003 0.000 0.246 545 S C 0.993 175.487 174.600 -0.178 0.000 1.057 545 S CA -0.305 57.768 58.200 -0.213 0.000 1.051 545 S CB 0.552 63.651 63.200 -0.168 0.000 1.018 545 S HN 0.265 nan 8.310 nan 0.000 0.569 546 L N 1.969 123.059 121.223 -0.222 0.000 2.349 546 L HA 0.493 4.835 4.340 0.003 0.000 0.200 546 L C 1.200 177.890 176.870 -0.300 0.000 1.064 546 L CA 1.146 55.846 54.840 -0.233 0.000 0.821 546 L CB 0.008 41.907 42.059 -0.267 0.000 1.027 546 L HN 0.383 nan 8.230 nan 0.000 0.476 547 I N -1.310 119.027 120.570 -0.388 0.000 3.927 547 I HA 0.265 4.436 4.170 0.003 0.000 0.332 547 I C -0.053 175.897 176.117 -0.280 0.000 1.485 547 I CA -0.629 60.416 61.300 -0.426 0.000 1.131 547 I CB -0.628 36.944 38.000 -0.713 0.000 1.092 547 I HN 0.188 nan 8.210 nan 0.000 0.410 548 N N 2.326 120.901 118.700 -0.209 0.000 2.408 548 N HA 0.267 5.008 4.740 0.003 0.000 0.260 548 N C 0.115 175.547 175.510 -0.130 0.000 1.242 548 N CA -0.272 52.695 53.050 -0.139 0.000 0.959 548 N CB 1.033 39.449 38.487 -0.118 0.000 1.201 548 N HN 0.174 nan 8.380 nan 0.000 0.511 549 A N 0.773 123.531 122.820 -0.104 0.000 2.545 549 A HA 0.071 4.393 4.320 0.003 0.000 0.253 549 A C 0.669 178.200 177.584 -0.088 0.000 1.074 549 A CA 0.136 52.112 52.037 -0.102 0.000 0.760 549 A CB -1.232 17.716 19.000 -0.086 0.000 1.005 549 A HN 0.909 nan 8.150 nan 0.000 0.506 550 N N -0.003 118.642 118.700 -0.091 0.000 2.800 550 N HA -0.151 4.590 4.740 0.003 0.000 0.250 550 N C 0.583 176.052 175.510 -0.069 0.000 1.078 550 N CA 1.541 54.547 53.050 -0.072 0.000 0.804 550 N CB -1.355 37.096 38.487 -0.060 0.000 1.135 550 N HN 1.186 nan 8.380 nan 0.000 0.565 551 G N -0.343 108.404 108.800 -0.088 0.000 2.553 551 G HA2 0.400 4.362 3.960 0.003 0.000 0.278 551 G HA3 0.400 4.362 3.960 0.003 0.000 0.278 551 G C 1.446 176.308 174.900 -0.064 0.000 1.349 551 G CA -0.061 44.984 45.100 -0.092 0.000 1.037 551 G HN 0.193 nan 8.290 nan 0.000 0.508 552 I N -0.187 120.349 120.570 -0.057 0.000 2.163 552 I HA -0.178 3.994 4.170 0.003 0.000 0.243 552 I C 2.520 178.660 176.117 0.038 0.000 1.085 552 I CA 0.815 62.114 61.300 -0.002 0.000 1.347 552 I CB -0.207 37.799 38.000 0.010 0.000 1.044 552 I HN 0.262 nan 8.210 nan 0.000 0.408 553 I N 0.708 121.265 120.570 -0.021 0.000 2.179 553 I HA -0.247 3.925 4.170 0.003 0.000 0.242 553 I C 2.488 178.644 176.117 0.065 0.000 1.088 553 I CA 1.657 62.966 61.300 0.016 0.000 1.357 553 I CB -1.326 36.533 38.000 -0.235 0.000 1.051 553 I HN 0.327 nan 8.210 nan 0.000 0.409 554 E N 0.240 120.419 120.200 -0.035 0.000 2.153 554 E HA -0.188 4.164 4.350 0.003 0.000 0.194 554 E C 1.869 178.472 176.600 0.004 0.000 0.988 554 E CA 1.831 58.213 56.400 -0.031 0.000 0.811 554 E CB -0.063 29.584 29.700 -0.087 0.000 0.746 554 E HN 0.601 nan 8.360 nan 0.000 0.466 555 T N -2.483 112.075 114.554 0.007 0.000 3.081 555 T HA 0.015 4.367 4.350 0.003 0.000 0.250 555 T C 1.706 176.408 174.700 0.004 0.000 1.100 555 T CA 0.968 63.065 62.100 -0.004 0.000 1.038 555 T CB 0.195 69.052 68.868 -0.020 0.000 0.962 555 T HN 0.135 nan 8.240 nan 0.000 0.516 556 T N -2.260 112.331 114.554 0.061 0.000 2.958 556 T HA 0.429 4.781 4.350 0.003 0.000 0.256 556 T C -0.039 174.609 174.700 -0.088 0.000 0.983 556 T CA -0.546 61.550 62.100 -0.007 0.000 0.924 556 T CB -0.156 68.715 68.868 0.005 0.000 1.136 556 T HN 0.223 nan 8.240 nan 0.000 0.506 557 F N 1.040 120.976 119.950 -0.024 0.000 2.470 557 F HA 0.579 5.107 4.527 0.002 0.000 0.329 557 F C 1.245 177.049 175.800 0.008 0.000 1.072 557 F CA -1.918 56.079 58.000 -0.005 0.000 0.989 557 F CB 1.559 40.559 39.000 -0.000 0.000 1.193 557 F HN -0.109 nan 8.300 nan 0.000 0.481 558 L N 4.217 125.560 121.223 0.200 0.000 2.010 558 L HA -0.175 4.166 4.340 0.003 0.000 0.219 558 L C -1.029 175.943 176.870 0.171 0.000 1.077 558 L CA 2.366 57.298 54.840 0.154 0.000 0.773 558 L CB -1.452 40.711 42.059 0.174 0.000 0.892 558 L HN 0.470 nan 8.230 nan 0.000 0.436 559 P HA -0.075 nan 4.420 nan 0.000 0.228 559 P C 0.998 178.388 177.300 0.151 0.000 1.151 559 P CA 1.090 64.305 63.100 0.192 0.000 0.770 559 P CB 0.045 31.812 31.700 0.112 0.000 0.786 560 S N 0.705 116.453 115.700 0.080 0.000 4.054 560 S HA -0.314 4.157 4.470 0.003 0.000 0.618 560 S C 1.541 176.077 174.600 -0.107 0.000 2.026 560 S CA 2.334 60.529 58.200 -0.009 0.000 4.205 560 S CB -1.638 61.551 63.200 -0.018 0.000 0.233 560 S HN 0.414 nan 8.310 nan 0.000 0.612 561 K N 0.528 120.779 120.400 -0.248 0.000 2.519 561 K HA -0.060 4.261 4.320 0.003 0.000 0.196 561 K C 1.339 177.703 176.600 -0.393 0.000 1.041 561 K CA 1.965 58.040 56.287 -0.355 0.000 0.954 561 K CB -0.384 31.849 32.500 -0.445 0.000 0.774 561 K HN 0.642 nan 8.250 nan 0.000 0.480 562 Y N 1.182 121.467 120.300 -0.025 0.000 2.462 562 Y HA 0.199 4.750 4.550 0.003 0.000 0.261 562 Y C 2.163 177.972 175.900 -0.151 0.000 1.146 562 Y CA -0.367 57.719 58.100 -0.022 0.000 1.283 562 Y CB 0.375 38.890 38.460 0.091 0.000 1.090 562 Y HN 0.046 nan 8.280 nan 0.000 0.526 563 S N 0.209 115.883 115.700 -0.044 0.000 2.377 563 S HA -0.216 4.256 4.470 0.003 0.000 0.224 563 S C 2.187 176.666 174.600 -0.202 0.000 1.042 563 S CA 2.097 60.216 58.200 -0.136 0.000 1.086 563 S CB -0.824 62.287 63.200 -0.148 0.000 0.995 563 S HN 0.267 nan 8.310 nan 0.000 0.428 564 V N 2.971 122.746 119.914 -0.231 0.000 2.358 564 V HA -0.207 3.915 4.120 0.003 0.000 0.246 564 V C 2.517 178.457 176.094 -0.257 0.000 1.047 564 V CA 2.063 64.195 62.300 -0.281 0.000 1.035 564 V CB -1.181 30.424 31.823 -0.363 0.000 0.658 564 V HN 0.718 nan 8.190 nan 0.000 0.452 565 E N 0.286 120.359 120.200 -0.211 0.000 2.204 565 E HA -0.243 4.109 4.350 0.003 0.000 0.195 565 E C 2.128 178.734 176.600 0.010 0.000 0.990 565 E CA 1.504 57.835 56.400 -0.115 0.000 0.821 565 E CB -0.447 29.233 29.700 -0.034 0.000 0.750 565 E HN 0.519 nan 8.360 nan 0.000 0.477 566 M N 1.663 121.145 119.600 -0.196 0.000 2.159 566 M HA -0.152 4.329 4.480 0.003 0.000 0.263 566 M C 2.536 178.771 176.300 -0.108 0.000 1.063 566 M CA 1.974 57.042 55.300 -0.385 0.000 1.110 566 M CB -0.309 31.904 32.600 -0.646 0.000 1.374 566 M HN 0.323 nan 8.290 nan 0.000 0.411 567 S N -1.056 114.619 115.700 -0.041 0.000 2.423 567 S HA -0.115 4.357 4.470 0.003 0.000 0.231 567 S C 1.917 176.707 174.600 0.317 0.000 1.014 567 S CA 1.450 59.718 58.200 0.113 0.000 0.965 567 S CB -0.485 62.839 63.200 0.206 0.000 0.785 567 S HN 0.470 nan 8.310 nan 0.000 0.495 568 S N 2.021 117.907 115.700 0.309 0.000 2.368 568 S HA 0.082 4.554 4.470 0.003 0.000 0.224 568 S C 2.149 177.006 174.600 0.428 0.000 1.029 568 S CA 1.056 59.542 58.200 0.476 0.000 0.988 568 S CB -0.901 62.490 63.200 0.318 0.000 0.838 568 S HN 0.768 nan 8.310 nan 0.000 0.462 569 A N 0.882 123.900 122.820 0.331 0.000 1.908 569 A HA -0.009 4.312 4.320 0.003 0.000 0.218 569 A C 2.337 180.074 177.584 0.254 0.000 1.181 569 A CA 1.834 54.042 52.037 0.286 0.000 0.627 569 A CB -1.056 18.133 19.000 0.314 0.000 0.818 569 A HN 0.470 nan 8.150 nan 0.000 0.445 570 V N -1.505 118.550 119.914 0.235 0.000 2.427 570 V HA -0.245 3.876 4.120 0.003 0.000 0.248 570 V C 2.335 178.605 176.094 0.294 0.000 1.051 570 V CA 1.903 64.344 62.300 0.235 0.000 1.048 570 V CB -0.980 30.946 31.823 0.172 0.000 0.666 570 V HN 0.727 nan 8.190 nan 0.000 0.456 571 Y N 1.449 121.861 120.300 0.188 0.000 2.384 571 Y HA -0.226 4.326 4.550 0.003 0.000 0.289 571 Y C 2.307 178.365 175.900 0.263 0.000 1.152 571 Y CA 1.407 59.622 58.100 0.191 0.000 1.258 571 Y CB -0.342 38.175 38.460 0.094 0.000 0.979 571 Y HN 0.226 nan 8.280 nan 0.000 0.549 572 K N -0.075 120.438 120.400 0.188 0.000 2.160 572 K HA -0.217 4.104 4.320 0.003 0.000 0.206 572 K C 0.979 177.622 176.600 0.072 0.000 1.047 572 K CA 1.876 58.222 56.287 0.098 0.000 0.930 572 K CB -0.286 32.298 32.500 0.140 0.000 0.720 572 K HN 0.485 nan 8.250 nan 0.000 0.450 573 N N -0.886 117.879 118.700 0.109 0.000 2.214 573 N HA 0.013 4.755 4.740 0.003 0.000 0.214 573 N C -0.706 174.833 175.510 0.048 0.000 1.132 573 N CA -0.455 52.644 53.050 0.082 0.000 0.856 573 N CB 0.279 38.819 38.487 0.089 0.000 1.020 573 N HN 0.190 nan 8.380 nan 0.000 0.509 574 W N 1.844 123.053 121.300 -0.151 0.000 2.251 574 W HA 0.300 4.962 4.660 0.003 0.000 0.327 574 W C -0.829 175.445 176.519 -0.408 0.000 1.361 574 W CA -0.104 57.131 57.345 -0.183 0.000 1.234 574 W CB 0.510 29.931 29.460 -0.066 0.000 1.212 574 W HN -0.335 nan 8.180 nan 0.000 0.557 575 V N 9.987 129.162 119.914 -1.231 0.000 2.409 575 V HA 0.058 4.180 4.120 0.003 0.000 0.290 575 V C 0.568 175.462 176.094 -1.999 0.000 1.017 575 V CA -0.854 60.266 62.300 -1.967 0.000 0.841 575 V CB 0.742 31.633 31.823 -1.552 0.000 1.003 575 V HN 0.729 nan 8.190 nan 0.000 0.426 576 F N 4.463 123.015 119.950 -2.330 0.000 2.087 576 F HA -0.259 4.270 4.527 0.003 0.000 0.299 576 F C 2.480 177.862 175.800 -0.697 0.000 1.100 576 F CA 2.848 60.050 58.000 -1.330 0.000 1.226 576 F CB -0.095 38.575 39.000 -0.550 0.000 0.983 576 F HN 0.621 nan 8.300 nan 0.000 0.479 577 T N -3.063 111.112 114.554 -0.631 0.000 3.035 577 T HA -0.107 4.245 4.350 0.003 0.000 0.268 577 T C 1.302 175.707 174.700 -0.492 0.000 1.109 577 T CA 1.165 63.004 62.100 -0.435 0.000 1.119 577 T CB -0.470 68.315 68.868 -0.137 0.000 0.900 577 T HN 0.214 nan 8.240 nan 0.000 0.503 578 D N 0.979 120.999 120.400 -0.634 0.000 2.340 578 D HA 0.057 4.698 4.640 0.003 0.000 0.220 578 D C 1.854 177.898 176.300 -0.426 0.000 1.039 578 D CA 0.208 53.914 54.000 -0.491 0.000 0.866 578 D CB 0.083 40.589 40.800 -0.491 0.000 0.913 578 D HN 0.355 nan 8.370 nan 0.000 0.523 579 Q N 0.207 119.721 119.800 -0.476 0.000 2.389 579 Q HA 0.158 4.500 4.340 0.003 0.000 0.204 579 Q C 0.694 176.577 176.000 -0.195 0.000 0.944 579 Q CA 0.043 55.696 55.803 -0.250 0.000 0.908 579 Q CB -0.039 28.572 28.738 -0.212 0.000 1.002 579 Q HN 0.143 nan 8.270 nan 0.000 0.493 580 A N 1.258 123.867 122.820 -0.351 0.000 2.511 580 A HA 0.068 4.390 4.320 0.003 0.000 0.242 580 A C 1.221 178.229 177.584 -0.961 0.000 1.069 580 A CA -0.216 51.491 52.037 -0.549 0.000 0.763 580 A CB 0.172 18.973 19.000 -0.332 0.000 1.001 580 A HN 0.265 nan 8.150 nan 0.000 0.498 581 L N 4.029 124.165 121.223 -1.811 0.000 2.012 581 L HA -0.034 4.307 4.340 0.003 0.000 0.210 581 L C -0.820 175.449 176.870 -1.001 0.000 1.073 581 L CA 2.449 56.456 54.840 -1.389 0.000 0.748 581 L CB -1.262 39.689 42.059 -1.848 0.000 0.891 581 L HN 0.522 nan 8.230 nan 0.000 0.431 582 P HA -0.131 nan 4.420 nan 0.000 0.215 582 P C 1.596 178.640 177.300 -0.426 0.000 1.157 582 P CA 2.018 64.738 63.100 -0.633 0.000 0.863 582 P CB -0.192 31.196 31.700 -0.521 0.000 0.787 583 A N -0.055 122.509 122.820 -0.427 0.000 1.908 583 A HA -0.271 4.051 4.320 0.003 0.000 0.218 583 A C 2.207 179.633 177.584 -0.265 0.000 1.181 583 A CA 2.350 54.208 52.037 -0.299 0.000 0.627 583 A CB -1.720 17.101 19.000 -0.298 0.000 0.818 583 A HN 0.200 nan 8.150 nan 0.000 0.445 584 D N -0.161 120.058 120.400 -0.301 0.000 2.097 584 D HA -0.144 4.498 4.640 0.003 0.000 0.195 584 D C 1.806 178.024 176.300 -0.137 0.000 0.989 584 D CA 1.528 55.411 54.000 -0.195 0.000 0.827 584 D CB -0.254 40.454 40.800 -0.153 0.000 0.966 584 D HN 0.422 nan 8.370 nan 0.000 0.456 585 L N -0.024 121.088 121.223 -0.185 0.000 2.083 585 L HA -0.107 4.234 4.340 0.003 0.000 0.209 585 L C 2.625 179.447 176.870 -0.080 0.000 1.083 585 L CA 0.730 55.497 54.840 -0.122 0.000 0.752 585 L CB -0.377 41.557 42.059 -0.209 0.000 0.899 585 L HN 0.188 nan 8.230 nan 0.000 0.433 586 I N -0.275 120.223 120.570 -0.121 0.000 2.286 586 I HA -0.276 3.896 4.170 0.003 0.000 0.245 586 I C 2.721 178.797 176.117 -0.067 0.000 1.104 586 I CA 1.183 62.431 61.300 -0.086 0.000 1.397 586 I CB -0.263 37.673 38.000 -0.106 0.000 1.072 586 I HN 0.230 nan 8.210 nan 0.000 0.417 587 K N 1.364 121.710 120.400 -0.090 0.000 2.063 587 K HA -0.163 4.158 4.320 0.003 0.000 0.208 587 K C 2.065 178.639 176.600 -0.043 0.000 1.048 587 K CA 1.453 57.693 56.287 -0.078 0.000 0.928 587 K CB -0.019 32.414 32.500 -0.112 0.000 0.713 587 K HN 0.216 nan 8.250 nan 0.000 0.442 588 R N -0.619 119.869 120.500 -0.021 0.000 2.323 588 R HA 0.009 4.351 4.340 0.003 0.000 0.198 588 R C 0.771 177.101 176.300 0.049 0.000 0.988 588 R CA 0.568 56.679 56.100 0.018 0.000 1.041 588 R CB 0.074 30.405 30.300 0.052 0.000 0.926 588 R HN 0.527 nan 8.270 nan 0.000 0.476 589 G N 1.087 109.906 108.800 0.032 0.000 2.198 589 G HA2 -0.269 3.693 3.960 0.003 0.000 0.260 589 G HA3 -0.269 3.693 3.960 0.003 0.000 0.260 589 G C 0.582 175.569 174.900 0.145 0.000 1.025 589 G CA 0.478 45.606 45.100 0.046 0.000 0.769 589 G HN 0.350 nan 8.290 nan 0.000 0.507 590 V N -4.428 115.587 119.914 0.168 0.000 3.578 590 V HA 0.825 4.946 4.120 0.003 0.000 0.290 590 V C 0.803 176.992 176.094 0.158 0.000 1.376 590 V CA 0.871 63.329 62.300 0.264 0.000 1.083 590 V CB 0.143 32.144 31.823 0.298 0.000 0.911 590 V HN 1.972 nan 8.190 nan 0.000 0.433 591 A N 1.148 124.011 122.820 0.072 0.000 2.612 591 A HA 0.882 5.203 4.320 0.003 0.000 0.293 591 A C -1.272 176.309 177.584 -0.005 0.000 1.075 591 A CA -0.419 51.627 52.037 0.016 0.000 0.680 591 A CB 1.867 20.837 19.000 -0.049 0.000 1.279 591 A HN 0.972 nan 8.150 nan 0.000 0.411 592 I N -1.782 118.781 120.570 -0.012 0.000 2.785 592 I HA 0.678 4.849 4.170 0.003 0.000 0.302 592 I C -0.234 175.866 176.117 -0.029 0.000 1.069 592 I CA -0.917 60.372 61.300 -0.019 0.000 1.045 592 I CB 1.809 39.804 38.000 -0.008 0.000 1.236 592 I HN 0.641 nan 8.210 nan 0.000 0.429 593 K N 2.073 122.452 120.400 -0.033 0.000 2.451 593 K HA 0.160 4.482 4.320 0.003 0.000 0.280 593 K C -0.998 175.589 176.600 -0.021 0.000 1.020 593 K CA 0.389 56.656 56.287 -0.033 0.000 1.008 593 K CB 0.270 32.751 32.500 -0.032 0.000 0.917 593 K HN 0.820 nan 8.250 nan 0.000 0.478 594 D N 5.793 126.182 120.400 -0.018 0.000 2.328 594 D HA 0.233 4.874 4.640 0.003 0.000 0.243 594 D C -2.251 174.042 176.300 -0.012 0.000 1.324 594 D CA -2.070 51.923 54.000 -0.012 0.000 0.966 594 D CB 1.699 42.493 40.800 -0.010 0.000 1.324 594 D HN 0.224 nan 8.370 nan 0.000 0.549 595 P HA -0.139 nan 4.420 nan 0.000 0.218 595 P C 1.254 178.545 177.300 -0.014 0.000 1.146 595 P CA 1.086 64.180 63.100 -0.010 0.000 0.813 595 P CB 0.236 31.931 31.700 -0.008 0.000 0.778 596 S N -2.125 113.567 115.700 -0.014 0.000 2.607 596 S HA -0.015 4.457 4.470 0.003 0.000 0.224 596 S C 0.892 175.476 174.600 -0.026 0.000 0.969 596 S CA 0.385 58.575 58.200 -0.017 0.000 0.927 596 S CB -1.468 61.725 63.200 -0.013 0.000 0.772 596 S HN 0.230 nan 8.310 nan 0.000 0.533 597 T N -1.485 113.052 114.554 -0.029 0.000 2.928 597 T HA 0.534 4.886 4.350 0.003 0.000 0.284 597 T C -2.028 172.620 174.700 -0.086 0.000 1.008 597 T CA -1.875 60.196 62.100 -0.047 0.000 1.057 597 T CB 1.110 69.962 68.868 -0.027 0.000 1.018 597 T HN -0.145 nan 8.240 nan 0.000 0.493 598 P HA -0.151 nan 4.420 nan 0.000 0.216 598 P C 1.034 178.131 177.300 -0.339 0.000 1.154 598 P CA 1.296 64.215 63.100 -0.302 0.000 0.865 598 P CB -0.005 31.408 31.700 -0.478 0.000 0.789 599 H N -2.874 116.193 119.070 -0.005 0.000 2.551 599 H HA 0.321 4.879 4.556 0.003 0.000 0.271 599 H C 1.568 176.883 175.328 -0.021 0.000 0.984 599 H CA 0.901 56.947 56.048 -0.004 0.000 1.164 599 H CB -0.026 29.717 29.762 -0.032 0.000 1.437 599 H HN 0.169 nan 8.280 nan 0.000 0.550 600 G N 1.152 109.976 108.800 0.041 0.000 2.184 600 G HA2 -0.286 3.676 3.960 0.003 0.000 0.264 600 G HA3 -0.286 3.676 3.960 0.003 0.000 0.264 600 G C 0.355 175.252 174.900 -0.005 0.000 0.975 600 G CA 0.591 45.700 45.100 0.015 0.000 0.642 600 G HN 0.485 nan 8.290 nan 0.000 0.536 601 V N -3.335 116.581 119.914 0.003 0.000 2.971 601 V HA 0.876 4.997 4.120 0.003 0.000 0.309 601 V C -0.310 175.777 176.094 -0.010 0.000 1.130 601 V CA -1.070 61.214 62.300 -0.028 0.000 0.964 601 V CB 1.931 33.703 31.823 -0.084 0.000 1.029 601 V HN 0.607 nan 8.190 nan 0.000 0.427 602 R N 3.436 123.928 120.500 -0.014 0.000 2.343 602 R HA 0.697 5.038 4.340 0.003 0.000 0.320 602 R C -1.075 175.225 176.300 -0.000 0.000 0.956 602 R CA -0.751 55.348 56.100 -0.001 0.000 0.836 602 R CB 1.384 31.685 30.300 0.002 0.000 1.151 602 R HN 0.919 nan 8.270 nan 0.000 0.450 603 L N 6.037 127.261 121.223 0.002 0.000 2.416 603 L HA 0.112 4.454 4.340 0.003 0.000 0.272 603 L C 1.209 178.108 176.870 0.049 0.000 1.161 603 L CA -0.202 54.648 54.840 0.017 0.000 0.845 603 L CB 0.991 43.055 42.059 0.007 0.000 1.119 603 L HN 0.739 nan 8.230 nan 0.000 0.464 604 L N 4.152 125.431 121.223 0.093 0.000 2.418 604 L HA 0.133 4.475 4.340 0.003 0.000 0.218 604 L C 0.467 177.396 176.870 0.099 0.000 1.125 604 L CA 0.703 55.624 54.840 0.135 0.000 0.835 604 L CB 0.077 42.284 42.059 0.246 0.000 0.953 604 L HN 0.530 nan 8.230 nan 0.000 0.454 605 I N 0.240 120.820 120.570 0.018 0.000 2.437 605 I HA 0.025 4.196 4.170 0.003 0.000 0.279 605 I C 1.213 177.327 176.117 -0.004 0.000 1.028 605 I CA -0.205 61.032 61.300 -0.105 0.000 1.142 605 I CB 1.551 39.355 38.000 -0.327 0.000 1.266 605 I HN 0.135 nan 8.210 nan 0.000 0.461 606 E N 2.980 123.174 120.200 -0.010 0.000 2.110 606 E HA -0.231 4.120 4.350 0.003 0.000 0.193 606 E C 0.441 177.052 176.600 0.019 0.000 0.988 606 E CA 1.093 57.499 56.400 0.010 0.000 0.804 606 E CB 0.095 29.798 29.700 0.005 0.000 0.745 606 E HN 0.462 nan 8.360 nan 0.000 0.458 607 D N 0.158 120.560 120.400 0.004 0.000 2.973 607 D HA 0.000 4.642 4.640 0.003 0.000 0.263 607 D C -1.582 174.736 176.300 0.029 0.000 1.266 607 D CA -0.593 53.414 54.000 0.013 0.000 0.975 607 D CB -0.368 40.429 40.800 -0.005 0.000 1.032 607 D HN 0.139 nan 8.370 nan 0.000 0.510 608 Y N 2.177 122.408 120.300 -0.115 0.000 2.700 608 Y HA 0.369 4.920 4.550 0.002 0.000 0.333 608 Y C -1.891 173.922 175.900 -0.144 0.000 1.036 608 Y CA -3.019 54.996 58.100 -0.142 0.000 1.287 608 Y CB 1.076 39.453 38.460 -0.138 0.000 1.132 608 Y HN 0.116 nan 8.280 nan 0.000 0.510 609 P HA -0.297 nan 4.420 nan 0.000 0.215 609 P C 1.351 178.553 177.300 -0.162 0.000 1.163 609 P CA 1.963 64.971 63.100 -0.154 0.000 0.894 609 P CB -0.132 31.270 31.700 -0.496 0.000 0.791 610 Y N 0.606 120.745 120.300 -0.268 0.000 2.128 610 Y HA -0.226 4.325 4.550 0.003 0.000 0.284 610 Y C 2.323 178.146 175.900 -0.129 0.000 1.154 610 Y CA 1.811 59.885 58.100 -0.043 0.000 1.149 610 Y CB -1.188 37.323 38.460 0.085 0.000 0.976 610 Y HN -0.112 nan 8.280 nan 0.000 0.505 611 A N 0.565 122.872 122.820 -0.855 0.000 1.898 611 A HA 0.007 4.329 4.320 0.003 0.000 0.216 611 A C 2.441 179.698 177.584 -0.546 0.000 1.181 611 A CA 1.748 53.194 52.037 -0.986 0.000 0.620 611 A CB -1.475 16.733 19.000 -1.319 0.000 0.819 611 A HN 0.638 nan 8.150 nan 0.000 0.442 612 A N 0.169 122.795 122.820 -0.324 0.000 1.873 612 A HA -0.150 4.171 4.320 0.003 0.000 0.215 612 A C 1.752 179.269 177.584 -0.111 0.000 1.186 612 A CA 1.923 53.862 52.037 -0.163 0.000 0.616 612 A CB -0.576 18.395 19.000 -0.049 0.000 0.823 612 A HN 0.430 nan 8.150 nan 0.000 0.442 613 D N -0.345 120.034 120.400 -0.036 0.000 2.149 613 D HA -0.017 4.624 4.640 0.003 0.000 0.201 613 D C 2.078 178.395 176.300 0.028 0.000 0.972 613 D CA 1.322 55.361 54.000 0.064 0.000 0.835 613 D CB -0.715 40.226 40.800 0.236 0.000 0.966 613 D HN 0.409 nan 8.370 nan 0.000 0.476 614 G N 0.791 109.540 108.800 -0.084 0.000 2.440 614 G HA2 -0.220 3.741 3.960 0.003 0.000 0.218 614 G HA3 -0.220 3.741 3.960 0.003 0.000 0.218 614 G C 1.701 176.551 174.900 -0.083 0.000 1.154 614 G CA 0.360 45.462 45.100 0.004 0.000 0.767 614 G HN 0.259 nan 8.290 nan 0.000 0.552 615 L N 0.188 121.218 121.223 -0.322 0.000 2.131 615 L HA -0.059 4.283 4.340 0.003 0.000 0.210 615 L C 2.948 179.607 176.870 -0.351 0.000 1.092 615 L CA 0.900 55.448 54.840 -0.486 0.000 0.759 615 L CB -0.251 41.323 42.059 -0.808 0.000 0.903 615 L HN 0.146 nan 8.230 nan 0.000 0.435 616 E N 0.154 120.253 120.200 -0.168 0.000 2.051 616 E HA -0.177 4.175 4.350 0.003 0.000 0.192 616 E C 2.292 178.965 176.600 0.122 0.000 0.991 616 E CA 1.130 57.546 56.400 0.026 0.000 0.799 616 E CB -0.125 29.611 29.700 0.061 0.000 0.748 616 E HN 0.370 nan 8.360 nan 0.000 0.449 617 I N 0.614 121.293 120.570 0.182 0.000 2.252 617 I HA -0.240 3.931 4.170 0.003 0.000 0.245 617 I C 2.412 178.747 176.117 0.363 0.000 1.102 617 I CA 0.866 62.338 61.300 0.286 0.000 1.385 617 I CB -1.288 36.938 38.000 0.377 0.000 1.064 617 I HN 0.325 nan 8.210 nan 0.000 0.414 618 W N 2.551 123.926 121.300 0.126 0.000 2.321 618 W HA -0.274 4.387 4.660 0.002 0.000 0.306 618 W C 2.463 178.982 176.519 0.001 0.000 1.217 618 W CA 2.390 59.703 57.345 -0.054 0.000 1.257 618 W CB -0.144 29.009 29.460 -0.512 0.000 1.145 618 W HN 0.151 nan 8.180 nan 0.000 0.509 619 A N 0.954 123.853 122.820 0.133 0.000 1.898 619 A HA -0.047 4.275 4.320 0.003 0.000 0.216 619 A C 2.206 179.838 177.584 0.079 0.000 1.181 619 A CA 2.642 54.743 52.037 0.106 0.000 0.620 619 A CB -1.337 17.826 19.000 0.272 0.000 0.819 619 A HN 0.337 nan 8.150 nan 0.000 0.442 620 A N -0.029 122.889 122.820 0.164 0.000 1.902 620 A HA -0.090 4.231 4.320 0.003 0.000 0.217 620 A C 2.104 179.890 177.584 0.337 0.000 1.181 620 A CA 1.576 53.775 52.037 0.271 0.000 0.623 620 A CB -0.605 18.565 19.000 0.284 0.000 0.818 620 A HN 0.505 nan 8.150 nan 0.000 0.443 621 I N -0.708 119.999 120.570 0.229 0.000 2.315 621 I HA -0.231 3.941 4.170 0.003 0.000 0.248 621 I C 2.502 178.525 176.117 -0.156 0.000 1.117 621 I CA 1.689 63.013 61.300 0.039 0.000 1.404 621 I CB -0.230 37.779 38.000 0.014 0.000 1.071 621 I HN 0.369 nan 8.210 nan 0.000 0.419 622 K N 0.789 121.017 120.400 -0.286 0.000 2.026 622 K HA -0.187 4.134 4.320 0.003 0.000 0.208 622 K C 2.090 178.609 176.600 -0.135 0.000 1.048 622 K CA 2.057 58.154 56.287 -0.317 0.000 0.929 622 K CB -0.128 32.144 32.500 -0.379 0.000 0.713 622 K HN 0.190 nan 8.250 nan 0.000 0.439 623 T N 0.859 115.399 114.554 -0.024 0.000 2.720 623 T HA -0.209 4.143 4.350 0.003 0.000 0.268 623 T C 1.208 175.963 174.700 0.091 0.000 1.037 623 T CA 1.478 63.609 62.100 0.051 0.000 1.144 623 T CB -0.386 68.552 68.868 0.116 0.000 0.864 623 T HN 0.539 nan 8.240 nan 0.000 0.444 624 W N 1.571 122.779 121.300 -0.153 0.000 2.355 624 W HA -0.173 4.488 4.660 0.002 0.000 0.309 624 W C 1.743 178.176 176.519 -0.143 0.000 1.206 624 W CA 0.626 57.825 57.345 -0.242 0.000 1.284 624 W CB -0.474 28.468 29.460 -0.863 0.000 1.145 624 W HN 0.037 nan 8.180 nan 0.000 0.502 625 V N 1.729 121.343 119.914 -0.499 0.000 2.358 625 V HA -0.325 3.797 4.120 0.003 0.000 0.246 625 V C 2.450 178.383 176.094 -0.269 0.000 1.047 625 V CA 2.282 64.254 62.300 -0.547 0.000 1.035 625 V CB -1.041 30.550 31.823 -0.387 0.000 0.658 625 V HN 0.259 nan 8.190 nan 0.000 0.452 626 Q N -0.588 119.114 119.800 -0.164 0.000 2.291 626 Q HA -0.224 4.117 4.340 0.003 0.000 0.205 626 Q C 2.234 178.208 176.000 -0.043 0.000 0.970 626 Q CA 1.508 57.261 55.803 -0.083 0.000 0.876 626 Q CB -0.027 28.678 28.738 -0.054 0.000 0.935 626 Q HN 0.717 nan 8.270 nan 0.000 0.455 627 E N -0.611 119.573 120.200 -0.028 0.000 2.250 627 E HA -0.126 4.225 4.350 0.003 0.000 0.192 627 E C 1.367 177.977 176.600 0.017 0.000 0.986 627 E CA 0.117 56.536 56.400 0.031 0.000 0.849 627 E CB 0.162 29.941 29.700 0.132 0.000 0.797 627 E HN 0.339 nan 8.360 nan 0.000 0.482 628 Y N 0.483 120.633 120.300 -0.249 0.000 2.176 628 Y HA -0.149 4.402 4.550 0.002 0.000 0.291 628 Y C 2.061 177.947 175.900 -0.023 0.000 1.122 628 Y CA 1.364 59.317 58.100 -0.244 0.000 1.128 628 Y CB -0.304 37.723 38.460 -0.723 0.000 1.005 628 Y HN -0.150 nan 8.280 nan 0.000 0.509 629 V N 1.506 121.477 119.914 0.094 0.000 2.278 629 V HA -0.301 3.820 4.120 0.003 0.000 0.251 629 V C -0.513 175.655 176.094 0.125 0.000 1.062 629 V CA 2.600 64.989 62.300 0.149 0.000 1.038 629 V CB -1.947 29.905 31.823 0.049 0.000 0.646 629 V HN 0.319 nan 8.190 nan 0.000 0.447 630 P HA -0.140 nan 4.420 nan 0.000 0.220 630 P C 1.696 178.917 177.300 -0.132 0.000 1.144 630 P CA 1.291 64.378 63.100 -0.022 0.000 0.800 630 P CB -0.122 31.557 31.700 -0.036 0.000 0.772 631 L N -3.534 117.525 121.223 -0.272 0.000 2.376 631 L HA -0.099 4.243 4.340 0.003 0.000 0.219 631 L C 1.361 177.663 176.870 -0.946 0.000 1.133 631 L CA 1.316 55.786 54.840 -0.616 0.000 0.816 631 L CB -0.514 41.045 42.059 -0.834 0.000 0.933 631 L HN 0.078 nan 8.230 nan 0.000 0.449 632 Y N -3.147 117.007 120.300 -0.243 0.000 2.448 632 Y HA 0.214 4.765 4.550 0.003 0.000 0.257 632 Y C -0.369 175.165 175.900 -0.610 0.000 1.089 632 Y CA -0.752 57.106 58.100 -0.403 0.000 1.245 632 Y CB 0.567 38.761 38.460 -0.445 0.000 1.282 632 Y HN -0.100 nan 8.280 nan 0.000 0.529 633 Y N -0.746 119.548 120.300 -0.010 0.000 2.333 633 Y HA 0.591 5.143 4.550 0.003 0.000 0.324 633 Y C 0.683 176.563 175.900 -0.034 0.000 1.033 633 Y CA -1.113 56.985 58.100 -0.004 0.000 1.224 633 Y CB 1.419 39.892 38.460 0.021 0.000 1.120 633 Y HN -0.011 nan 8.280 nan 0.000 0.457 634 A N 3.802 126.654 122.820 0.053 0.000 1.930 634 A HA 0.166 4.487 4.320 0.003 0.000 0.215 634 A C 0.930 178.540 177.584 0.043 0.000 1.176 634 A CA 0.954 53.002 52.037 0.019 0.000 0.632 634 A CB 0.140 19.130 19.000 -0.017 0.000 0.819 634 A HN 0.707 nan 8.150 nan 0.000 0.445 635 R N -1.789 118.753 120.500 0.069 0.000 2.855 635 R HA 0.343 4.684 4.340 0.003 0.000 0.266 635 R C -0.655 175.692 176.300 0.079 0.000 1.034 635 R CA -0.620 55.515 56.100 0.058 0.000 0.944 635 R CB 0.522 30.846 30.300 0.039 0.000 1.219 635 R HN -0.023 nan 8.270 nan 0.000 0.474 636 D N 0.981 121.412 120.400 0.052 0.000 2.149 636 D HA -0.148 4.494 4.640 0.003 0.000 0.198 636 D C 0.772 177.111 176.300 0.065 0.000 0.990 636 D CA 1.676 55.703 54.000 0.045 0.000 0.839 636 D CB -0.049 40.768 40.800 0.028 0.000 0.948 636 D HN 0.482 nan 8.370 nan 0.000 0.460 637 D N 0.698 121.136 120.400 0.063 0.000 2.182 637 D HA -0.118 4.523 4.640 0.003 0.000 0.201 637 D C 1.432 177.793 176.300 0.101 0.000 0.986 637 D CA 0.838 54.879 54.000 0.068 0.000 0.847 637 D CB -0.130 40.701 40.800 0.051 0.000 0.942 637 D HN 0.171 nan 8.370 nan 0.000 0.467 638 D N -0.378 120.101 120.400 0.131 0.000 2.264 638 D HA -0.076 4.565 4.640 0.003 0.000 0.208 638 D C 2.043 178.549 176.300 0.343 0.000 0.966 638 D CA 0.365 54.481 54.000 0.193 0.000 0.864 638 D CB 0.109 41.017 40.800 0.180 0.000 0.933 638 D HN 0.157 nan 8.370 nan 0.000 0.499 639 V N 0.884 120.957 119.914 0.266 0.000 2.379 639 V HA -0.135 3.987 4.120 0.003 0.000 0.243 639 V C 2.430 178.605 176.094 0.135 0.000 1.035 639 V CA 1.075 63.464 62.300 0.149 0.000 1.035 639 V CB -0.328 31.462 31.823 -0.054 0.000 0.673 639 V HN 0.103 nan 8.190 nan 0.000 0.457 640 K N 0.739 121.201 120.400 0.104 0.000 2.147 640 K HA -0.168 4.153 4.320 0.003 0.000 0.205 640 K C 1.376 178.047 176.600 0.117 0.000 1.049 640 K CA 1.969 58.313 56.287 0.094 0.000 0.936 640 K CB -0.226 32.316 32.500 0.070 0.000 0.722 640 K HN 0.570 nan 8.250 nan 0.000 0.446 641 N N 0.830 119.609 118.700 0.132 0.000 2.314 641 N HA -0.046 4.696 4.740 0.003 0.000 0.200 641 N C -0.730 174.876 175.510 0.159 0.000 1.135 641 N CA -0.246 52.880 53.050 0.127 0.000 0.835 641 N CB 0.344 38.889 38.487 0.096 0.000 0.989 641 N HN 0.136 nan 8.380 nan 0.000 0.478 642 D N 0.517 121.048 120.400 0.218 0.000 2.411 642 D HA 0.072 4.713 4.640 0.003 0.000 0.225 642 D C 0.811 177.273 176.300 0.269 0.000 1.156 642 D CA 0.071 54.231 54.000 0.267 0.000 0.874 642 D CB 1.196 42.245 40.800 0.415 0.000 1.034 642 D HN -0.088 nan 8.370 nan 0.000 0.502 643 S N 3.547 119.387 115.700 0.233 0.000 2.359 643 S HA -0.194 4.278 4.470 0.003 0.000 0.224 643 S C 1.510 176.327 174.600 0.361 0.000 1.035 643 S CA 1.381 59.747 58.200 0.277 0.000 1.018 643 S CB 0.083 63.375 63.200 0.152 0.000 0.876 643 S HN 0.589 nan 8.310 nan 0.000 0.448 644 E N 0.010 120.379 120.200 0.282 0.000 2.047 644 E HA -0.123 4.228 4.350 0.003 0.000 0.191 644 E C 2.096 178.898 176.600 0.336 0.000 0.987 644 E CA 1.214 57.788 56.400 0.290 0.000 0.799 644 E CB -0.271 29.583 29.700 0.258 0.000 0.752 644 E HN 0.347 nan 8.360 nan 0.000 0.449 645 L N 1.279 122.692 121.223 0.317 0.000 2.042 645 L HA -0.243 4.098 4.340 0.003 0.000 0.210 645 L C 2.183 179.328 176.870 0.458 0.000 1.076 645 L CA 1.702 56.743 54.840 0.336 0.000 0.749 645 L CB -0.225 42.016 42.059 0.303 0.000 0.893 645 L HN 0.077 nan 8.230 nan 0.000 0.432 646 Q N -1.225 118.783 119.800 0.346 0.000 2.119 646 Q HA -0.193 4.149 4.340 0.003 0.000 0.201 646 Q C 2.242 178.314 176.000 0.120 0.000 0.972 646 Q CA 1.706 57.651 55.803 0.237 0.000 0.847 646 Q CB -0.473 28.355 28.738 0.149 0.000 0.903 646 Q HN 0.635 nan 8.270 nan 0.000 0.433 647 H N -1.123 118.001 119.070 0.090 0.000 2.395 647 H HA -0.116 4.441 4.556 0.003 0.000 0.299 647 H C 1.493 176.679 175.328 -0.237 0.000 1.070 647 H CA 1.378 57.340 56.048 -0.143 0.000 1.356 647 H CB -0.338 29.309 29.762 -0.192 0.000 1.401 647 H HN 0.363 nan 8.280 nan 0.000 0.524 648 W N 0.536 121.838 121.300 0.002 0.000 2.353 648 W HA -0.234 4.427 4.660 0.002 0.000 0.319 648 W C 2.348 178.952 176.519 0.142 0.000 1.207 648 W CA 1.440 58.857 57.345 0.120 0.000 1.291 648 W CB -0.836 28.746 29.460 0.203 0.000 1.159 648 W HN 0.317 nan 8.180 nan 0.000 0.478 649 W N 2.074 123.249 121.300 -0.207 0.000 2.358 649 W HA -0.242 4.420 4.660 0.003 0.000 0.303 649 W C 2.269 178.532 176.519 -0.428 0.000 1.208 649 W CA 1.982 58.996 57.345 -0.551 0.000 1.274 649 W CB -0.493 28.823 29.460 -0.240 0.000 1.138 649 W HN -0.011 nan 8.180 nan 0.000 0.515 650 K N 0.729 120.960 120.400 -0.282 0.000 2.097 650 K HA -0.264 4.058 4.320 0.003 0.000 0.206 650 K C 2.029 178.337 176.600 -0.487 0.000 1.049 650 K CA 1.922 57.964 56.287 -0.408 0.000 0.933 650 K CB -0.432 31.889 32.500 -0.299 0.000 0.717 650 K HN 0.141 nan 8.250 nan 0.000 0.442 651 E N -0.360 119.598 120.200 -0.404 0.000 2.076 651 E HA -0.112 4.239 4.350 0.003 0.000 0.190 651 E C 1.830 178.146 176.600 -0.474 0.000 0.979 651 E CA 0.711 56.910 56.400 -0.335 0.000 0.807 651 E CB -0.066 29.580 29.700 -0.091 0.000 0.761 651 E HN 0.412 nan 8.360 nan 0.000 0.454 652 A N 0.595 123.083 122.820 -0.553 0.000 1.892 652 A HA -0.204 4.118 4.320 0.003 0.000 0.218 652 A C 2.349 179.415 177.584 -0.863 0.000 1.188 652 A CA 1.872 53.510 52.037 -0.665 0.000 0.631 652 A CB -0.755 17.784 19.000 -0.768 0.000 0.822 652 A HN 0.225 nan 8.150 nan 0.000 0.447 653 V N -0.208 119.013 119.914 -1.156 0.000 2.302 653 V HA -0.180 3.942 4.120 0.003 0.000 0.243 653 V C 2.285 177.871 176.094 -0.846 0.000 1.036 653 V CA 2.007 63.504 62.300 -1.337 0.000 1.020 653 V CB -0.869 29.859 31.823 -1.826 0.000 0.657 653 V HN 0.643 nan 8.190 nan 0.000 0.453 654 E N -0.193 119.603 120.200 -0.673 0.000 2.274 654 E HA -0.110 4.242 4.350 0.003 0.000 0.194 654 E C 1.847 178.211 176.600 -0.393 0.000 0.996 654 E CA 0.612 56.740 56.400 -0.453 0.000 0.840 654 E CB 0.105 29.587 29.700 -0.363 0.000 0.772 654 E HN 0.441 nan 8.360 nan 0.000 0.491 655 K N -0.346 119.748 120.400 -0.510 0.000 2.309 655 K HA 0.120 4.441 4.320 0.003 0.000 0.210 655 K C 2.140 178.277 176.600 -0.771 0.000 1.114 655 K CA 0.841 56.759 56.287 -0.615 0.000 0.912 655 K CB -0.887 31.147 32.500 -0.777 0.000 1.198 655 K HN 0.111 nan 8.250 nan 0.000 0.471 656 G N 1.806 110.046 108.800 -0.932 0.000 2.491 656 G HA2 -0.220 3.741 3.960 0.003 0.000 0.218 656 G HA3 -0.220 3.741 3.960 0.003 0.000 0.218 656 G C 0.968 175.528 174.900 -0.567 0.000 1.180 656 G CA 0.929 45.599 45.100 -0.716 0.000 0.774 656 G HN 0.309 nan 8.290 nan 0.000 0.562 657 H N 0.418 119.267 119.070 -0.368 0.000 2.481 657 H HA 0.245 4.802 4.556 0.003 0.000 0.273 657 H C 2.175 177.487 175.328 -0.027 0.000 1.145 657 H CA 0.185 56.190 56.048 -0.071 0.000 0.964 657 H CB 0.330 30.201 29.762 0.182 0.000 1.722 657 H HN 0.331 nan 8.280 nan 0.000 0.573 658 G N 0.534 109.274 108.800 -0.100 0.000 2.485 658 G HA2 -0.256 3.706 3.960 0.003 0.000 0.221 658 G HA3 -0.256 3.706 3.960 0.003 0.000 0.221 658 G C 1.246 176.164 174.900 0.031 0.000 1.115 658 G CA 0.523 45.562 45.100 -0.101 0.000 0.751 658 G HN 0.347 nan 8.290 nan 0.000 0.567 659 D N 0.074 120.561 120.400 0.145 0.000 2.350 659 D HA 0.002 4.644 4.640 0.003 0.000 0.216 659 D C 1.895 178.317 176.300 0.204 0.000 0.968 659 D CA 0.513 54.628 54.000 0.192 0.000 0.894 659 D CB 0.159 41.136 40.800 0.294 0.000 0.909 659 D HN 0.354 nan 8.370 nan 0.000 0.520 660 L N 0.524 121.909 121.223 0.271 0.000 3.014 660 L HA 0.166 4.507 4.340 0.003 0.000 0.263 660 L C 1.888 178.943 176.870 0.309 0.000 1.207 660 L CA -0.169 54.845 54.840 0.289 0.000 1.017 660 L CB 0.306 42.632 42.059 0.446 0.000 1.360 660 L HN -0.079 nan 8.230 nan 0.000 0.560 661 K N -0.097 120.370 120.400 0.111 0.000 2.280 661 K HA -0.161 4.160 4.320 0.003 0.000 0.202 661 K C 1.074 177.645 176.600 -0.049 0.000 1.047 661 K CA 1.512 57.751 56.287 -0.080 0.000 0.942 661 K CB -0.152 32.231 32.500 -0.195 0.000 0.739 661 K HN 0.314 nan 8.250 nan 0.000 0.457 662 D N 0.937 121.326 120.400 -0.018 0.000 2.355 662 D HA -0.061 4.580 4.640 0.003 0.000 0.218 662 D C -0.144 176.099 176.300 -0.095 0.000 1.004 662 D CA 0.279 54.252 54.000 -0.045 0.000 0.880 662 D CB 0.031 40.817 40.800 -0.024 0.000 0.911 662 D HN -0.013 nan 8.370 nan 0.000 0.528 663 K N 2.097 122.384 120.400 -0.188 0.000 2.350 663 K HA 0.118 4.440 4.320 0.003 0.000 0.279 663 K C -1.358 174.911 176.600 -0.552 0.000 1.027 663 K CA -1.534 54.434 56.287 -0.531 0.000 0.969 663 K CB 1.175 32.949 32.500 -1.211 0.000 0.954 663 K HN 0.029 nan 8.250 nan 0.000 0.474 664 P HA -0.089 nan 4.420 nan 0.000 0.229 664 P C 0.792 178.040 177.300 -0.086 0.000 1.160 664 P CA 0.947 63.946 63.100 -0.169 0.000 0.777 664 P CB 0.020 31.690 31.700 -0.050 0.000 0.814 665 W N -1.914 119.383 121.300 -0.004 0.000 3.047 665 W HA 0.121 4.783 4.660 0.003 0.000 0.250 665 W C -0.171 176.380 176.519 0.054 0.000 1.314 665 W CA -1.050 56.276 57.345 -0.032 0.000 1.540 665 W CB -1.507 27.863 29.460 -0.149 0.000 1.127 665 W HN -0.198 nan 8.180 nan 0.000 0.679 666 W N 3.977 125.354 121.300 0.129 0.000 2.322 666 W HA 0.174 4.836 4.660 0.003 0.000 0.328 666 W C -1.732 174.987 176.519 0.334 0.000 1.395 666 W CA -1.438 56.078 57.345 0.285 0.000 1.267 666 W CB -0.122 29.323 29.460 -0.024 0.000 1.259 666 W HN -0.381 nan 8.180 nan 0.000 0.560 667 P HA -0.047 nan 4.420 nan 0.000 0.269 667 P C 0.536 178.085 177.300 0.414 0.000 1.215 667 P CA 0.002 63.359 63.100 0.427 0.000 0.780 667 P CB 0.827 32.706 31.700 0.299 0.000 0.898 668 K N 1.402 121.933 120.400 0.218 0.000 2.314 668 K HA 0.100 4.421 4.320 0.003 0.000 0.198 668 K C 0.631 177.284 176.600 0.088 0.000 1.045 668 K CA 0.057 56.454 56.287 0.184 0.000 0.988 668 K CB -0.600 31.969 32.500 0.115 0.000 0.783 668 K HN 0.303 nan 8.250 nan 0.000 0.484 669 L N 1.561 122.744 121.223 -0.066 0.000 3.608 669 L HA -0.200 4.142 4.340 0.003 0.000 0.422 669 L C 0.064 176.910 176.870 -0.039 0.000 1.260 669 L CA 0.544 55.288 54.840 -0.159 0.000 0.889 669 L CB -0.818 41.046 42.059 -0.326 0.000 1.821 669 L HN 0.157 nan 8.230 nan 0.000 0.884 670 Q N -1.139 118.655 119.800 -0.010 0.000 2.217 670 Q HA 0.394 4.736 4.340 0.003 0.000 0.217 670 Q C 0.827 176.830 176.000 0.005 0.000 0.844 670 Q CA 0.942 56.755 55.803 0.015 0.000 0.957 670 Q CB 0.973 29.730 28.738 0.032 0.000 1.127 670 Q HN 0.762 nan 8.270 nan 0.000 0.503 671 T N -3.927 110.614 114.554 -0.021 0.000 2.896 671 T HA 0.539 4.890 4.350 0.003 0.000 0.297 671 T C 1.034 175.700 174.700 -0.057 0.000 1.108 671 T CA -0.712 61.375 62.100 -0.021 0.000 1.004 671 T CB 1.017 69.879 68.868 -0.010 0.000 1.159 671 T HN -0.065 nan 8.240 nan 0.000 0.499 672 L N 0.436 121.633 121.223 -0.043 0.000 2.083 672 L HA -0.035 4.307 4.340 0.003 0.000 0.209 672 L C 2.934 179.763 176.870 -0.069 0.000 1.083 672 L CA 1.661 56.462 54.840 -0.065 0.000 0.752 672 L CB -0.455 41.593 42.059 -0.019 0.000 0.899 672 L HN 0.895 nan 8.230 nan 0.000 0.433 673 E N 0.360 120.534 120.200 -0.043 0.000 2.058 673 E HA -0.265 4.087 4.350 0.003 0.000 0.194 673 E C 1.671 178.243 176.600 -0.047 0.000 0.997 673 E CA 1.751 58.130 56.400 -0.035 0.000 0.801 673 E CB 0.116 29.808 29.700 -0.014 0.000 0.746 673 E HN 0.399 nan 8.360 nan 0.000 0.450 674 D N 0.204 120.572 120.400 -0.053 0.000 2.117 674 D HA -0.160 4.481 4.640 0.003 0.000 0.197 674 D C 1.883 178.103 176.300 -0.133 0.000 0.987 674 D CA 0.599 54.555 54.000 -0.073 0.000 0.829 674 D CB -0.245 40.508 40.800 -0.077 0.000 0.961 674 D HN 0.148 nan 8.370 nan 0.000 0.460 675 L N 0.319 121.448 121.223 -0.157 0.000 2.017 675 L HA -0.134 4.208 4.340 0.003 0.000 0.208 675 L C 2.153 178.941 176.870 -0.137 0.000 1.073 675 L CA 1.361 56.090 54.840 -0.185 0.000 0.745 675 L CB -0.562 41.338 42.059 -0.265 0.000 0.894 675 L HN -0.082 nan 8.230 nan 0.000 0.432 676 V N 0.022 119.864 119.914 -0.120 0.000 2.287 676 V HA -0.334 3.788 4.120 0.003 0.000 0.248 676 V C 2.602 178.636 176.094 -0.101 0.000 1.053 676 V CA 2.083 64.314 62.300 -0.115 0.000 1.027 676 V CB -0.712 31.051 31.823 -0.100 0.000 0.646 676 V HN 0.650 nan 8.190 nan 0.000 0.447 677 E N 0.049 120.210 120.200 -0.064 0.000 2.038 677 E HA -0.228 4.124 4.350 0.003 0.000 0.195 677 E C 2.233 178.847 176.600 0.025 0.000 1.000 677 E CA 2.111 58.501 56.400 -0.017 0.000 0.803 677 E CB -0.143 29.571 29.700 0.023 0.000 0.750 677 E HN 0.371 nan 8.360 nan 0.000 0.448 678 V N 0.659 120.592 119.914 0.032 0.000 2.287 678 V HA -0.345 3.777 4.120 0.003 0.000 0.248 678 V C 2.595 178.785 176.094 0.159 0.000 1.053 678 V CA 1.844 64.228 62.300 0.141 0.000 1.027 678 V CB -0.460 31.209 31.823 -0.256 0.000 0.646 678 V HN 0.571 nan 8.190 nan 0.000 0.447 679 C N -0.662 118.666 119.300 0.046 0.000 2.440 679 C HA -0.081 4.381 4.460 0.003 0.000 0.278 679 C C 2.616 177.579 174.990 -0.045 0.000 1.295 679 C CA 0.859 59.888 59.018 0.018 0.000 1.738 679 C CB -1.007 26.687 27.740 -0.077 0.000 1.987 679 C HN 0.630 nan 8.230 nan 0.000 0.492 680 L N 1.150 122.305 121.223 -0.113 0.000 2.046 680 L HA -0.062 4.280 4.340 0.003 0.000 0.208 680 L C 2.168 178.974 176.870 -0.107 0.000 1.077 680 L CA 1.928 56.629 54.840 -0.233 0.000 0.747 680 L CB -0.703 41.116 42.059 -0.400 0.000 0.896 680 L HN 0.323 nan 8.230 nan 0.000 0.432 681 I N -0.875 119.704 120.570 0.015 0.000 2.252 681 I HA -0.300 3.872 4.170 0.003 0.000 0.245 681 I C 2.449 178.679 176.117 0.188 0.000 1.102 681 I CA 1.431 62.801 61.300 0.117 0.000 1.385 681 I CB -0.262 37.608 38.000 -0.218 0.000 1.064 681 I HN 0.240 nan 8.210 nan 0.000 0.414 682 I N 0.812 121.489 120.570 0.178 0.000 2.163 682 I HA -0.319 3.853 4.170 0.003 0.000 0.243 682 I C 2.470 178.685 176.117 0.163 0.000 1.085 682 I CA 1.728 63.152 61.300 0.206 0.000 1.347 682 I CB -0.229 37.896 38.000 0.208 0.000 1.044 682 I HN 0.162 nan 8.210 nan 0.000 0.408 683 I N -0.269 120.321 120.570 0.032 0.000 2.252 683 I HA -0.323 3.849 4.170 0.003 0.000 0.245 683 I C 2.475 178.591 176.117 -0.001 0.000 1.102 683 I CA 1.357 62.549 61.300 -0.179 0.000 1.385 683 I CB -0.516 37.273 38.000 -0.352 0.000 1.064 683 I HN 0.543 nan 8.210 nan 0.000 0.414 684 W N 2.388 123.687 121.300 -0.001 0.000 2.333 684 W HA -0.228 4.434 4.660 0.003 0.000 0.316 684 W C 2.272 178.908 176.519 0.195 0.000 1.215 684 W CA 1.644 59.078 57.345 0.148 0.000 1.278 684 W CB -0.333 29.334 29.460 0.345 0.000 1.154 684 W HN 0.057 nan 8.180 nan 0.000 0.486 685 I N 1.514 122.169 120.570 0.142 0.000 2.163 685 I HA -0.318 3.854 4.170 0.003 0.000 0.243 685 I C 2.770 178.918 176.117 0.051 0.000 1.085 685 I CA 1.868 63.217 61.300 0.082 0.000 1.347 685 I CB -1.037 37.127 38.000 0.273 0.000 1.044 685 I HN -0.019 nan 8.210 nan 0.000 0.408 686 A N 0.262 123.147 122.820 0.108 0.000 1.969 686 A HA -0.152 4.170 4.320 0.003 0.000 0.218 686 A C 2.348 180.004 177.584 0.121 0.000 1.169 686 A CA 2.016 54.130 52.037 0.128 0.000 0.635 686 A CB -0.468 18.669 19.000 0.229 0.000 0.810 686 A HN 0.551 nan 8.150 nan 0.000 0.445 687 S N -0.794 114.944 115.700 0.065 0.000 2.500 687 S HA 0.440 4.912 4.470 0.003 0.000 0.174 687 S C 2.179 176.784 174.600 0.008 0.000 0.857 687 S CA 0.746 59.007 58.200 0.102 0.000 0.905 687 S CB -0.948 62.332 63.200 0.133 0.000 0.819 687 S HN 0.805 nan 8.310 nan 0.000 0.557 688 A N 1.437 124.141 122.820 -0.193 0.000 1.902 688 A HA 0.064 4.386 4.320 0.003 0.000 0.217 688 A C 2.303 179.597 177.584 -0.484 0.000 1.181 688 A CA 1.722 53.546 52.037 -0.355 0.000 0.623 688 A CB -1.152 17.528 19.000 -0.533 0.000 0.818 688 A HN 0.553 nan 8.150 nan 0.000 0.443 689 L N -0.604 120.123 121.223 -0.828 0.000 1.994 689 L HA -0.204 4.138 4.340 0.003 0.000 0.208 689 L C 2.458 179.275 176.870 -0.088 0.000 1.071 689 L CA 2.790 57.381 54.840 -0.416 0.000 0.745 689 L CB -0.901 40.944 42.059 -0.358 0.000 0.892 689 L HN 0.648 nan 8.230 nan 0.000 0.431 690 H N -0.466 118.547 119.070 -0.095 0.000 2.352 690 H HA -0.152 4.406 4.556 0.003 0.000 0.299 690 H C 1.873 177.215 175.328 0.022 0.000 1.097 690 H CA 1.614 57.659 56.048 -0.006 0.000 1.311 690 H CB 0.213 29.981 29.762 0.009 0.000 1.377 690 H HN 0.496 nan 8.280 nan 0.000 0.504 691 A N 1.282 124.132 122.820 0.050 0.000 1.877 691 A HA -0.087 4.235 4.320 0.003 0.000 0.216 691 A C 2.740 180.378 177.584 0.089 0.000 1.186 691 A CA 1.867 54.049 52.037 0.241 0.000 0.620 691 A CB -1.153 18.039 19.000 0.320 0.000 0.822 691 A HN 0.574 nan 8.150 nan 0.000 0.443 692 A N -0.281 122.568 122.820 0.048 0.000 1.972 692 A HA 0.003 4.324 4.320 0.003 0.000 0.219 692 A C 2.125 179.704 177.584 -0.008 0.000 1.169 692 A CA 2.158 54.241 52.037 0.078 0.000 0.635 692 A CB -0.916 18.235 19.000 0.251 0.000 0.810 692 A HN 1.214 nan 8.150 nan 0.000 0.446 693 V N -2.953 116.906 119.914 -0.093 0.000 3.650 693 V HA 0.140 4.262 4.120 0.003 0.000 0.271 693 V C 1.433 177.411 176.094 -0.192 0.000 1.281 693 V CA 1.588 63.865 62.300 -0.038 0.000 1.120 693 V CB -0.676 31.155 31.823 0.014 0.000 0.856 693 V HN 0.486 nan 8.190 nan 0.000 0.443 694 N N 0.349 118.737 118.700 -0.520 0.000 2.508 694 N HA 0.175 4.916 4.740 0.003 0.000 0.186 694 N C 1.183 176.312 175.510 -0.635 0.000 1.034 694 N CA 0.785 53.341 53.050 -0.823 0.000 0.885 694 N CB -0.104 37.546 38.487 -1.395 0.000 1.135 694 N HN 0.369 nan 8.380 nan 0.000 0.435 695 F N 0.018 119.882 119.950 -0.144 0.000 2.802 695 F HA 0.314 4.843 4.527 0.002 0.000 0.300 695 F C 1.980 177.807 175.800 0.045 0.000 1.168 695 F CA 0.469 58.421 58.000 -0.081 0.000 1.433 695 F CB -0.144 38.775 39.000 -0.136 0.000 1.115 695 F HN 0.152 nan 8.300 nan 0.000 0.582 696 G N -1.232 107.671 108.800 0.171 0.000 3.126 696 G HA2 0.009 3.970 3.960 0.003 0.000 0.224 696 G HA3 0.009 3.970 3.960 0.003 0.000 0.224 696 G C 1.317 176.381 174.900 0.274 0.000 1.142 696 G CA -0.104 45.227 45.100 0.386 0.000 0.759 696 G HN 0.262 nan 8.290 nan 0.000 0.550 697 Q N -0.421 119.461 119.800 0.138 0.000 2.002 697 Q HA -0.205 4.136 4.340 0.003 0.000 0.204 697 Q C 2.008 178.092 176.000 0.141 0.000 0.988 697 Q CA 1.636 57.512 55.803 0.121 0.000 0.843 697 Q CB -0.261 28.554 28.738 0.129 0.000 0.908 697 Q HN 0.586 nan 8.270 nan 0.000 0.420 698 Y N 0.900 121.245 120.300 0.075 0.000 2.286 698 Y HA -0.061 4.491 4.550 0.003 0.000 0.293 698 Y C -0.956 174.950 175.900 0.009 0.000 1.124 698 Y CA 0.842 58.974 58.100 0.054 0.000 1.178 698 Y CB -0.654 37.851 38.460 0.075 0.000 1.010 698 Y HN 0.070 nan 8.280 nan 0.000 0.536 699 P HA -0.201 nan 4.420 nan 0.000 0.216 699 P C 0.697 177.774 177.300 -0.372 0.000 1.153 699 P CA 2.065 65.063 63.100 -0.171 0.000 0.858 699 P CB -0.130 31.311 31.700 -0.433 0.000 0.789 700 Y N -2.075 118.156 120.300 -0.114 0.000 2.441 700 Y HA 0.273 4.824 4.550 0.002 0.000 0.288 700 Y C 2.541 178.320 175.900 -0.202 0.000 1.118 700 Y CA 1.086 59.107 58.100 -0.131 0.000 1.215 700 Y CB -0.975 37.457 38.460 -0.047 0.000 1.118 700 Y HN -0.123 nan 8.280 nan 0.000 0.547 701 G N -0.911 107.862 108.800 -0.045 0.000 2.985 701 G HA2 0.038 4.000 3.960 0.003 0.000 0.209 701 G HA3 0.038 4.000 3.960 0.003 0.000 0.209 701 G C 1.810 176.503 174.900 -0.346 0.000 1.165 701 G CA 0.549 45.558 45.100 -0.153 0.000 0.776 701 G HN 0.459 nan 8.290 nan 0.000 0.541 702 G N 0.184 108.610 108.800 -0.624 0.000 2.535 702 G HA2 0.047 4.009 3.960 0.003 0.000 0.218 702 G HA3 0.047 4.009 3.960 0.003 0.000 0.218 702 G C 0.512 175.047 174.900 -0.608 0.000 1.122 702 G CA 0.176 44.643 45.100 -1.055 0.000 0.769 702 G HN 0.395 nan 8.290 nan 0.000 0.549 703 L N 0.673 121.607 121.223 -0.482 0.000 2.276 703 L HA 0.511 4.852 4.340 0.003 0.000 0.286 703 L C 1.158 177.727 176.870 -0.501 0.000 1.024 703 L CA -0.778 53.783 54.840 -0.464 0.000 0.826 703 L CB 1.317 43.072 42.059 -0.506 0.000 1.211 703 L HN -0.035 nan 8.230 nan 0.000 0.422 704 I N 4.381 124.673 120.570 -0.464 0.000 2.335 704 I HA -0.229 3.942 4.170 0.003 0.000 0.251 704 I C 1.773 177.630 176.117 -0.433 0.000 1.129 704 I CA 1.699 62.768 61.300 -0.384 0.000 1.402 704 I CB 0.024 37.853 38.000 -0.285 0.000 1.069 704 I HN 0.824 nan 8.210 nan 0.000 0.424 705 M N -0.243 118.956 119.600 -0.669 0.000 2.296 705 M HA -0.146 4.336 4.480 0.003 0.000 0.265 705 M C 1.936 177.749 176.300 -0.812 0.000 1.064 705 M CA 1.447 56.286 55.300 -0.768 0.000 1.109 705 M CB -0.738 30.917 32.600 -1.575 0.000 1.396 705 M HN 0.250 nan 8.290 nan 0.000 0.430 706 N N 0.252 118.450 118.700 -0.836 0.000 2.300 706 N HA -0.023 4.719 4.740 0.003 0.000 0.179 706 N C -0.027 175.397 175.510 -0.143 0.000 1.016 706 N CA 0.838 53.652 53.050 -0.392 0.000 0.876 706 N CB 0.446 38.758 38.487 -0.293 0.000 0.979 706 N HN -0.007 nan 8.380 nan 0.000 0.432 707 R N 0.608 120.993 120.500 -0.193 0.000 2.681 707 R HA 0.330 4.672 4.340 0.003 0.000 0.277 707 R C -2.683 173.527 176.300 -0.150 0.000 1.563 707 R CA -1.712 54.320 56.100 -0.113 0.000 1.673 707 R CB 0.839 31.088 30.300 -0.086 0.000 1.258 707 R HN 0.276 nan 8.270 nan 0.000 0.650 708 P HA 0.009 nan 4.420 nan 0.000 0.268 708 P C 0.759 177.935 177.300 -0.206 0.000 1.205 708 P CA 0.272 63.251 63.100 -0.202 0.000 0.771 708 P CB 0.885 32.453 31.700 -0.220 0.000 0.858 709 T N -0.610 113.750 114.554 -0.323 0.000 3.044 709 T HA 0.462 4.814 4.350 0.003 0.000 0.250 709 T C 0.590 175.096 174.700 -0.323 0.000 1.081 709 T CA 0.133 61.908 62.100 -0.541 0.000 1.040 709 T CB 0.088 68.251 68.868 -1.174 0.000 0.962 709 T HN 0.635 nan 8.240 nan 0.000 0.506 710 A N 0.928 123.623 122.820 -0.209 0.000 2.612 710 A HA 0.722 5.044 4.320 0.003 0.000 0.293 710 A C -0.842 176.680 177.584 -0.103 0.000 1.075 710 A CA -0.776 51.198 52.037 -0.105 0.000 0.680 710 A CB 1.285 20.224 19.000 -0.102 0.000 1.279 710 A HN 0.608 nan 8.150 nan 0.000 0.411 711 S N -0.050 115.627 115.700 -0.038 0.000 2.536 711 S HA 0.696 5.167 4.470 0.003 0.000 0.287 711 S C -0.129 174.482 174.600 0.018 0.000 1.101 711 S CA -0.860 57.321 58.200 -0.033 0.000 0.950 711 S CB 1.880 65.120 63.200 0.067 0.000 1.056 711 S HN 0.711 nan 8.310 nan 0.000 0.481 712 R N 0.600 121.104 120.500 0.008 0.000 2.437 712 R HA 0.290 4.632 4.340 0.003 0.000 0.257 712 R C 0.303 176.627 176.300 0.040 0.000 0.927 712 R CA -0.106 56.003 56.100 0.016 0.000 1.078 712 R CB 0.373 30.669 30.300 -0.008 0.000 1.161 712 R HN 0.824 nan 8.270 nan 0.000 0.529 713 R N -0.451 120.100 120.500 0.085 0.000 2.690 713 R HA 0.333 4.674 4.340 0.003 0.000 0.269 713 R C -1.196 175.208 176.300 0.174 0.000 1.037 713 R CA -0.837 55.317 56.100 0.090 0.000 0.877 713 R CB 0.872 31.221 30.300 0.081 0.000 1.255 713 R HN -0.151 nan 8.270 nan 0.000 0.467 714 L N 1.122 122.389 121.223 0.074 0.000 2.567 714 L HA 0.442 4.784 4.340 0.003 0.000 0.238 714 L C 0.509 177.525 176.870 0.244 0.000 1.168 714 L CA -1.303 53.555 54.840 0.030 0.000 0.817 714 L CB 0.331 42.292 42.059 -0.164 0.000 1.409 714 L HN 0.409 nan 8.230 nan 0.000 0.502 715 L N 1.957 123.365 121.223 0.309 0.000 2.456 715 L HA 0.146 4.488 4.340 0.003 0.000 0.272 715 L C -1.851 175.151 176.870 0.221 0.000 1.189 715 L CA -1.447 53.566 54.840 0.289 0.000 0.846 715 L CB 0.055 42.263 42.059 0.250 0.000 1.111 715 L HN 0.385 nan 8.230 nan 0.000 0.475 716 P HA 0.133 nan 4.420 nan 0.000 0.278 716 P C -0.898 176.578 177.300 0.293 0.000 1.238 716 P CA -0.584 62.648 63.100 0.221 0.000 0.794 716 P CB 0.946 32.770 31.700 0.208 0.000 0.955 717 E N 1.986 122.309 120.200 0.206 0.000 2.338 717 E HA 0.112 4.464 4.350 0.003 0.000 0.272 717 E C 0.219 176.857 176.600 0.063 0.000 1.029 717 E CA -0.206 56.273 56.400 0.132 0.000 0.872 717 E CB 0.701 30.442 29.700 0.068 0.000 1.015 717 E HN 0.343 nan 8.360 nan 0.000 0.417 718 K N 0.047 120.320 120.400 -0.211 0.000 2.440 718 K HA 0.162 4.483 4.320 0.003 0.000 0.270 718 K C 0.982 177.394 176.600 -0.314 0.000 0.980 718 K CA 0.780 56.596 56.287 -0.785 0.000 0.953 718 K CB 0.176 32.233 32.500 -0.737 0.000 0.925 718 K HN 0.777 nan 8.250 nan 0.000 0.497 719 G N 0.790 109.433 108.800 -0.263 0.000 2.136 719 G HA2 -0.266 3.695 3.960 0.003 0.000 0.242 719 G HA3 -0.266 3.695 3.960 0.003 0.000 0.242 719 G C 0.083 174.984 174.900 0.001 0.000 0.989 719 G CA 0.496 45.545 45.100 -0.086 0.000 0.682 719 G HN 0.778 nan 8.290 nan 0.000 0.522 720 T N -3.493 111.097 114.554 0.061 0.000 2.942 720 T HA 0.728 5.080 4.350 0.003 0.000 0.289 720 T C -1.380 173.392 174.700 0.121 0.000 1.044 720 T CA -1.249 60.905 62.100 0.089 0.000 1.023 720 T CB 2.942 71.873 68.868 0.105 0.000 1.123 720 T HN -0.137 nan 8.240 nan 0.000 0.512 721 P HA -0.019 nan 4.420 nan 0.000 0.218 721 P C 1.093 178.454 177.300 0.102 0.000 1.149 721 P CA 0.892 64.044 63.100 0.087 0.000 0.817 721 P CB 0.100 31.837 31.700 0.062 0.000 0.785 722 E N -1.720 118.547 120.200 0.111 0.000 2.110 722 E HA -0.201 4.150 4.350 0.003 0.000 0.193 722 E C 1.887 178.561 176.600 0.123 0.000 0.988 722 E CA 1.067 57.531 56.400 0.106 0.000 0.804 722 E CB -1.170 28.595 29.700 0.108 0.000 0.745 722 E HN 0.338 nan 8.360 nan 0.000 0.458 723 Y N 1.577 121.912 120.300 0.058 0.000 2.200 723 Y HA -0.176 4.376 4.550 0.003 0.000 0.290 723 Y C 1.865 177.798 175.900 0.054 0.000 1.137 723 Y CA 1.393 59.529 58.100 0.061 0.000 1.163 723 Y CB 0.231 38.724 38.460 0.055 0.000 0.988 723 Y HN -0.049 nan 8.280 nan 0.000 0.518 724 E N 0.360 120.702 120.200 0.237 0.000 2.153 724 E HA -0.249 4.102 4.350 0.003 0.000 0.194 724 E C 2.034 178.673 176.600 0.065 0.000 0.988 724 E CA 1.378 57.870 56.400 0.155 0.000 0.811 724 E CB -0.339 29.435 29.700 0.124 0.000 0.746 724 E HN 0.698 nan 8.360 nan 0.000 0.466 725 E N 0.304 120.533 120.200 0.049 0.000 2.106 725 E HA -0.129 4.222 4.350 0.003 0.000 0.192 725 E C 2.067 178.667 176.600 -0.000 0.000 0.984 725 E CA 0.704 57.119 56.400 0.024 0.000 0.806 725 E CB 0.005 29.724 29.700 0.031 0.000 0.750 725 E HN 0.189 nan 8.360 nan 0.000 0.458 726 M N 0.264 119.837 119.600 -0.045 0.000 2.149 726 M HA -0.179 4.303 4.480 0.003 0.000 0.261 726 M C 2.207 178.480 176.300 -0.045 0.000 1.064 726 M CA 1.300 56.558 55.300 -0.071 0.000 1.102 726 M CB -0.205 32.263 32.600 -0.221 0.000 1.369 726 M HN 0.237 nan 8.290 nan 0.000 0.408 727 I N 0.046 120.584 120.570 -0.054 0.000 2.193 727 I HA -0.258 3.914 4.170 0.003 0.000 0.240 727 I C 1.915 178.048 176.117 0.027 0.000 1.084 727 I CA 1.009 62.304 61.300 -0.007 0.000 1.365 727 I CB -0.508 37.511 38.000 0.032 0.000 1.064 727 I HN 0.327 nan 8.210 nan 0.000 0.410 728 N N 0.464 119.181 118.700 0.028 0.000 2.376 728 N HA -0.057 4.685 4.740 0.003 0.000 0.177 728 N C 0.462 175.979 175.510 0.011 0.000 1.024 728 N CA 0.735 53.800 53.050 0.026 0.000 0.893 728 N CB -0.104 38.398 38.487 0.025 0.000 0.980 728 N HN 0.225 nan 8.380 nan 0.000 0.439 729 N N 0.523 119.220 118.700 -0.005 0.000 2.722 729 N HA -0.007 4.735 4.740 0.003 0.000 0.242 729 N C 0.632 176.073 175.510 -0.114 0.000 1.398 729 N CA -0.199 52.800 53.050 -0.085 0.000 0.755 729 N CB 0.029 38.472 38.487 -0.072 0.000 1.268 729 N HN 0.218 nan 8.380 nan 0.000 0.522 730 H N 0.412 119.416 119.070 -0.111 0.000 2.421 730 H HA 0.055 4.613 4.556 0.003 0.000 0.298 730 H C 0.401 175.641 175.328 -0.146 0.000 1.087 730 H CA 1.074 57.062 56.048 -0.100 0.000 1.330 730 H CB 0.395 30.099 29.762 -0.096 0.000 1.388 730 H HN 0.456 nan 8.280 nan 0.000 0.526 731 E N 0.770 120.421 120.200 -0.916 0.000 2.072 731 E HA -0.131 4.220 4.350 0.003 0.000 0.191 731 E C 2.223 178.646 176.600 -0.294 0.000 0.985 731 E CA 0.956 56.797 56.400 -0.931 0.000 0.801 731 E CB 0.121 29.004 29.700 -1.361 0.000 0.750 731 E HN 0.247 nan 8.360 nan 0.000 0.452 732 K N 1.338 121.604 120.400 -0.224 0.000 2.097 732 K HA -0.056 4.266 4.320 0.003 0.000 0.205 732 K C 1.819 178.436 176.600 0.029 0.000 1.050 732 K CA 1.300 57.555 56.287 -0.053 0.000 0.938 732 K CB -0.334 32.138 32.500 -0.047 0.000 0.718 732 K HN 0.078 nan 8.250 nan 0.000 0.442 733 A N -0.409 122.426 122.820 0.026 0.000 1.902 733 A HA -0.169 4.153 4.320 0.003 0.000 0.217 733 A C 2.223 179.872 177.584 0.108 0.000 1.181 733 A CA 1.590 53.665 52.037 0.064 0.000 0.623 733 A CB -0.965 18.071 19.000 0.061 0.000 0.818 733 A HN 0.515 nan 8.150 nan 0.000 0.443 734 Y N 0.418 120.744 120.300 0.044 0.000 2.133 734 Y HA -0.141 4.411 4.550 0.003 0.000 0.287 734 Y C 2.038 177.991 175.900 0.089 0.000 1.134 734 Y CA 1.951 60.111 58.100 0.100 0.000 1.133 734 Y CB -0.238 38.395 38.460 0.288 0.000 0.987 734 Y HN 0.214 nan 8.280 nan 0.000 0.502 735 L N -0.247 121.163 121.223 0.312 0.000 2.131 735 L HA -0.226 4.115 4.340 0.003 0.000 0.210 735 L C 2.439 179.362 176.870 0.089 0.000 1.092 735 L CA 1.411 56.382 54.840 0.218 0.000 0.759 735 L CB -0.495 41.727 42.059 0.271 0.000 0.903 735 L HN 0.153 nan 8.230 nan 0.000 0.435 736 R N -0.887 119.650 120.500 0.061 0.000 2.189 736 R HA -0.070 4.271 4.340 0.003 0.000 0.218 736 R C 2.180 178.469 176.300 -0.019 0.000 1.074 736 R CA 1.450 57.568 56.100 0.029 0.000 0.991 736 R CB -0.307 30.015 30.300 0.037 0.000 0.883 736 R HN 0.333 nan 8.270 nan 0.000 0.457 737 T N 1.523 116.030 114.554 -0.078 0.000 2.894 737 T HA 0.050 4.402 4.350 0.003 0.000 0.258 737 T C 1.257 175.828 174.700 -0.215 0.000 1.043 737 T CA 0.722 62.731 62.100 -0.152 0.000 1.141 737 T CB -0.068 68.638 68.868 -0.271 0.000 0.873 737 T HN 0.231 nan 8.240 nan 0.000 0.449 738 I N 0.134 120.536 120.570 -0.280 0.000 3.244 738 I HA 0.362 4.534 4.170 0.003 0.000 0.314 738 I C 0.035 176.070 176.117 -0.137 0.000 1.043 738 I CA -1.086 60.059 61.300 -0.259 0.000 1.099 738 I CB -0.025 37.766 38.000 -0.350 0.000 1.449 738 I HN -0.166 nan 8.210 nan 0.000 0.625 739 T N 2.283 116.751 114.554 -0.143 0.000 2.830 739 T HA -0.066 4.286 4.350 0.003 0.000 0.282 739 T C 0.358 175.023 174.700 -0.059 0.000 1.024 739 T CA 0.226 62.254 62.100 -0.120 0.000 1.144 739 T CB -0.091 68.679 68.868 -0.162 0.000 1.035 739 T HN 0.664 nan 8.240 nan 0.000 0.507 740 S N 1.101 116.748 115.700 -0.089 0.000 2.589 740 S HA 0.109 4.580 4.470 0.003 0.000 0.265 740 S C 1.667 176.147 174.600 -0.201 0.000 1.342 740 S CA -0.654 57.477 58.200 -0.114 0.000 1.005 740 S CB 0.614 63.729 63.200 -0.142 0.000 0.909 740 S HN 0.832 nan 8.310 nan 0.000 0.555 741 K N 1.123 121.276 120.400 -0.412 0.000 2.032 741 K HA -0.163 4.159 4.320 0.003 0.000 0.209 741 K C 1.952 178.253 176.600 -0.498 0.000 1.048 741 K CA 1.725 57.545 56.287 -0.779 0.000 0.927 741 K CB -0.370 31.475 32.500 -1.093 0.000 0.712 741 K HN 0.551 nan 8.250 nan 0.000 0.441 742 L N 1.760 122.590 121.223 -0.655 0.000 1.976 742 L HA -0.079 4.263 4.340 0.003 0.000 0.209 742 L C -1.279 175.322 176.870 -0.448 0.000 1.071 742 L CA 1.759 56.054 54.840 -0.909 0.000 0.746 742 L CB -1.157 40.155 42.059 -1.245 0.000 0.890 742 L HN 0.149 nan 8.230 nan 0.000 0.432 743 P HA -0.122 nan 4.420 nan 0.000 0.220 743 P C 1.480 178.693 177.300 -0.145 0.000 1.148 743 P CA 1.639 64.629 63.100 -0.183 0.000 0.803 743 P CB -0.277 31.328 31.700 -0.158 0.000 0.782 744 T N 0.755 115.216 114.554 -0.154 0.000 2.708 744 T HA -0.078 4.274 4.350 0.003 0.000 0.266 744 T C 1.947 176.597 174.700 -0.084 0.000 1.037 744 T CA 1.063 63.110 62.100 -0.088 0.000 1.146 744 T CB -0.798 68.108 68.868 0.063 0.000 0.865 744 T HN 0.073 nan 8.240 nan 0.000 0.435 745 L N 0.168 121.309 121.223 -0.136 0.000 2.079 745 L HA -0.086 4.256 4.340 0.003 0.000 0.210 745 L C 2.383 179.320 176.870 0.112 0.000 1.081 745 L CA 1.249 56.024 54.840 -0.110 0.000 0.752 745 L CB -0.586 41.174 42.059 -0.498 0.000 0.896 745 L HN 0.290 nan 8.230 nan 0.000 0.433 746 I N -1.321 119.294 120.570 0.076 0.000 2.202 746 I HA -0.267 3.904 4.170 0.003 0.000 0.242 746 I C 2.818 179.054 176.117 0.198 0.000 1.091 746 I CA 1.208 62.646 61.300 0.229 0.000 1.368 746 I CB -0.319 37.770 38.000 0.148 0.000 1.058 746 I HN 0.142 nan 8.210 nan 0.000 0.410 747 S N 0.906 116.663 115.700 0.096 0.000 2.368 747 S HA -0.115 4.357 4.470 0.003 0.000 0.225 747 S C 2.089 176.778 174.600 0.147 0.000 1.030 747 S CA 1.291 59.545 58.200 0.090 0.000 0.999 747 S CB -0.320 62.852 63.200 -0.048 0.000 0.844 747 S HN 0.298 nan 8.310 nan 0.000 0.459 748 L N 0.887 122.184 121.223 0.124 0.000 2.079 748 L HA -0.095 4.247 4.340 0.003 0.000 0.210 748 L C 2.689 179.830 176.870 0.451 0.000 1.081 748 L CA 1.327 56.288 54.840 0.202 0.000 0.752 748 L CB -0.640 41.372 42.059 -0.079 0.000 0.896 748 L HN 0.314 nan 8.230 nan 0.000 0.433 749 S N -0.501 115.506 115.700 0.511 0.000 2.368 749 S HA -0.131 4.340 4.470 0.003 0.000 0.224 749 S C 2.038 176.797 174.600 0.264 0.000 1.029 749 S CA 1.214 59.698 58.200 0.473 0.000 0.988 749 S CB -0.215 63.318 63.200 0.555 0.000 0.838 749 S HN 0.176 nan 8.310 nan 0.000 0.462 750 V N 3.500 123.559 119.914 0.241 0.000 2.295 750 V HA -0.182 3.940 4.120 0.003 0.000 0.246 750 V C 2.252 178.457 176.094 0.186 0.000 1.049 750 V CA 1.852 64.259 62.300 0.179 0.000 1.024 750 V CB -1.009 30.915 31.823 0.168 0.000 0.648 750 V HN 0.657 nan 8.190 nan 0.000 0.447 751 I N -1.216 119.497 120.570 0.238 0.000 2.614 751 I HA -0.149 4.023 4.170 0.003 0.000 0.258 751 I C 2.296 178.575 176.117 0.270 0.000 1.189 751 I CA 1.877 63.330 61.300 0.255 0.000 1.462 751 I CB -0.532 37.629 38.000 0.267 0.000 1.092 751 I HN 0.389 nan 8.210 nan 0.000 0.442 752 E N 2.067 122.418 120.200 0.252 0.000 2.047 752 E HA -0.179 4.172 4.350 0.003 0.000 0.191 752 E C 2.296 178.888 176.600 -0.013 0.000 0.987 752 E CA 1.462 57.847 56.400 -0.025 0.000 0.799 752 E CB -0.058 29.491 29.700 -0.253 0.000 0.752 752 E HN 0.628 nan 8.360 nan 0.000 0.449 753 I N 1.154 121.739 120.570 0.025 0.000 2.127 753 I HA -0.331 3.841 4.170 0.003 0.000 0.241 753 I C 2.413 178.570 176.117 0.068 0.000 1.075 753 I CA 1.156 62.472 61.300 0.026 0.000 1.334 753 I CB -0.309 37.715 38.000 0.040 0.000 1.040 753 I HN 0.215 nan 8.210 nan 0.000 0.405 754 L N -0.147 121.133 121.223 0.096 0.000 2.353 754 L HA -0.140 4.201 4.340 0.003 0.000 0.220 754 L C 2.056 178.938 176.870 0.020 0.000 1.133 754 L CA 0.849 55.745 54.840 0.094 0.000 0.798 754 L CB -0.529 41.612 42.059 0.137 0.000 0.922 754 L HN 0.184 nan 8.230 nan 0.000 0.445 755 S N -1.651 114.093 115.700 0.074 0.000 2.556 755 S HA 0.053 4.524 4.470 0.003 0.000 0.216 755 S C 0.762 175.493 174.600 0.219 0.000 0.970 755 S CA -0.025 58.248 58.200 0.121 0.000 0.912 755 S CB 0.133 63.450 63.200 0.195 0.000 0.790 755 S HN 0.286 nan 8.310 nan 0.000 0.504 756 T N 2.745 117.391 114.554 0.154 0.000 2.845 756 T HA 0.252 4.604 4.350 0.003 0.000 0.288 756 T C -0.467 174.329 174.700 0.160 0.000 0.980 756 T CA -0.281 61.890 62.100 0.118 0.000 1.071 756 T CB 0.499 69.403 68.868 0.060 0.000 0.941 756 T HN 0.184 nan 8.240 nan 0.000 0.487 757 H N 1.719 120.893 119.070 0.173 0.000 2.604 757 H HA 0.486 5.043 4.556 0.003 0.000 0.306 757 H C 0.407 175.782 175.328 0.079 0.000 1.075 757 H CA -0.572 55.537 56.048 0.101 0.000 1.357 757 H CB 0.822 30.609 29.762 0.041 0.000 1.426 757 H HN 0.797 nan 8.280 nan 0.000 0.470 758 A N 2.514 125.448 122.820 0.189 0.000 2.445 758 A HA 0.071 4.392 4.320 0.003 0.000 0.242 758 A C 1.476 179.124 177.584 0.107 0.000 1.075 758 A CA 0.256 52.349 52.037 0.094 0.000 0.777 758 A CB 0.197 19.223 19.000 0.043 0.000 1.013 758 A HN 0.838 nan 8.150 nan 0.000 0.493 759 S N 0.111 115.860 115.700 0.083 0.000 2.515 759 S HA -0.100 4.372 4.470 0.003 0.000 0.231 759 S C 0.574 175.230 174.600 0.093 0.000 0.987 759 S CA 1.107 59.361 58.200 0.090 0.000 0.936 759 S CB -0.296 62.945 63.200 0.068 0.000 0.766 759 S HN 0.796 nan 8.310 nan 0.000 0.528 760 D N 0.290 120.748 120.400 0.097 0.000 2.427 760 D HA 0.226 4.867 4.640 0.003 0.000 0.224 760 D C 0.230 176.566 176.300 0.060 0.000 1.157 760 D CA -0.456 53.602 54.000 0.098 0.000 0.828 760 D CB -0.318 40.568 40.800 0.143 0.000 0.974 760 D HN 0.397 nan 8.370 nan 0.000 0.498 761 E N 0.209 120.412 120.200 0.005 0.000 2.404 761 E HA 0.218 4.569 4.350 0.003 0.000 0.261 761 E C -0.873 175.596 176.600 -0.219 0.000 1.074 761 E CA -0.385 55.916 56.400 -0.165 0.000 0.917 761 E CB 1.054 30.499 29.700 -0.426 0.000 0.965 761 E HN -0.050 nan 8.360 nan 0.000 0.433 762 V N 5.435 125.194 119.914 -0.258 0.000 2.350 762 V HA 0.260 4.381 4.120 0.003 0.000 0.285 762 V C -0.760 175.192 176.094 -0.236 0.000 1.014 762 V CA -0.642 61.570 62.300 -0.148 0.000 0.831 762 V CB 0.139 31.913 31.823 -0.082 0.000 1.000 762 V HN 0.603 nan 8.190 nan 0.000 0.433 763 Y N 3.057 123.325 120.300 -0.053 0.000 2.334 763 Y HA 0.464 5.016 4.550 0.003 0.000 0.325 763 Y C 0.386 176.268 175.900 -0.030 0.000 1.308 763 Y CA -0.794 57.269 58.100 -0.063 0.000 1.389 763 Y CB 0.750 39.133 38.460 -0.127 0.000 1.328 763 Y HN 0.462 nan 8.280 nan 0.000 0.532 764 L N 1.854 123.180 121.223 0.170 0.000 2.540 764 L HA 0.251 4.593 4.340 0.003 0.000 0.276 764 L C 1.049 177.869 176.870 -0.084 0.000 1.212 764 L CA 1.519 56.434 54.840 0.126 0.000 0.893 764 L CB -0.231 41.900 42.059 0.121 0.000 1.138 764 L HN 0.876 nan 8.230 nan 0.000 0.491 765 G N 2.552 111.276 108.800 -0.128 0.000 2.175 765 G HA2 -0.213 3.749 3.960 0.003 0.000 0.244 765 G HA3 -0.213 3.749 3.960 0.003 0.000 0.244 765 G C 0.214 174.993 174.900 -0.202 0.000 0.982 765 G CA 0.283 45.063 45.100 -0.534 0.000 0.641 765 G HN 0.638 nan 8.290 nan 0.000 0.527 766 Q N -0.646 119.252 119.800 0.163 0.000 2.399 766 Q HA 0.811 5.153 4.340 0.003 0.000 0.276 766 Q C -0.152 175.954 176.000 0.176 0.000 1.098 766 Q CA -0.994 54.941 55.803 0.221 0.000 0.827 766 Q CB 1.916 30.717 28.738 0.104 0.000 1.386 766 Q HN 0.234 nan 8.270 nan 0.000 0.443 767 R N 0.686 121.212 120.500 0.043 0.000 2.808 767 R HA 0.140 4.481 4.340 0.003 0.000 0.272 767 R C -0.445 175.817 176.300 -0.064 0.000 0.995 767 R CA -0.467 55.516 56.100 -0.196 0.000 0.917 767 R CB 1.369 31.356 30.300 -0.522 0.000 1.217 767 R HN 0.803 nan 8.270 nan 0.000 0.471 768 D N -0.670 119.690 120.400 -0.067 0.000 2.363 768 D HA -0.059 4.583 4.640 0.003 0.000 0.220 768 D C -0.009 176.319 176.300 0.048 0.000 0.994 768 D CA 0.587 54.591 54.000 0.008 0.000 0.890 768 D CB 0.282 41.096 40.800 0.024 0.000 0.906 768 D HN 0.244 nan 8.370 nan 0.000 0.530 769 N N -0.264 118.475 118.700 0.065 0.000 2.455 769 N HA 0.107 4.848 4.740 0.003 0.000 0.285 769 N C -2.438 173.181 175.510 0.181 0.000 1.080 769 N CA -1.267 51.850 53.050 0.112 0.000 0.932 769 N CB 2.375 40.952 38.487 0.150 0.000 1.610 769 N HN -0.259 nan 8.380 nan 0.000 0.493 770 P HA -0.015 nan 4.420 nan 0.000 0.230 770 P C 0.011 177.180 177.300 -0.218 0.000 1.158 770 P CA 0.963 64.030 63.100 -0.056 0.000 0.769 770 P CB 0.198 31.744 31.700 -0.256 0.000 0.807 771 H N -0.922 118.197 119.070 0.082 0.000 2.488 771 H HA 0.086 4.644 4.556 0.003 0.000 0.294 771 H C 1.540 176.814 175.328 -0.090 0.000 1.088 771 H CA -0.459 55.545 56.048 -0.072 0.000 1.086 771 H CB -0.603 29.130 29.762 -0.047 0.000 1.569 771 H HN 0.399 nan 8.280 nan 0.000 0.548 772 W N 0.839 122.156 121.300 0.028 0.000 2.387 772 W HA -0.033 4.629 4.660 0.002 0.000 0.272 772 W C -0.158 176.366 176.519 0.009 0.000 1.224 772 W CA 0.769 58.117 57.345 0.005 0.000 1.210 772 W CB -0.565 28.862 29.460 -0.054 0.000 1.125 772 W HN 0.064 nan 8.180 nan 0.000 0.572 773 T N -0.130 114.069 114.554 -0.592 0.000 2.894 773 T HA 0.286 4.638 4.350 0.003 0.000 0.309 773 T C 0.846 175.306 174.700 -0.401 0.000 1.208 773 T CA 0.146 61.958 62.100 -0.480 0.000 1.016 773 T CB 1.584 70.076 68.868 -0.625 0.000 1.192 773 T HN -0.023 nan 8.240 nan 0.000 0.491 774 S N 1.532 117.087 115.700 -0.241 0.000 2.501 774 S HA 0.126 4.598 4.470 0.003 0.000 0.220 774 S C 0.218 174.751 174.600 -0.111 0.000 0.997 774 S CA -0.019 58.093 58.200 -0.145 0.000 0.919 774 S CB -0.140 63.034 63.200 -0.044 0.000 0.778 774 S HN 0.719 nan 8.310 nan 0.000 0.523 775 D N 3.609 123.931 120.400 -0.130 0.000 2.346 775 D HA 0.160 4.802 4.640 0.003 0.000 0.267 775 D C 1.284 177.530 176.300 -0.090 0.000 1.320 775 D CA 0.334 54.278 54.000 -0.093 0.000 0.951 775 D CB 1.092 41.863 40.800 -0.049 0.000 1.079 775 D HN 0.463 nan 8.370 nan 0.000 0.509 776 S N 3.140 118.805 115.700 -0.058 0.000 2.420 776 S HA -0.297 4.174 4.470 0.003 0.000 0.237 776 S C 1.576 176.187 174.600 0.018 0.000 1.023 776 S CA 0.976 59.163 58.200 -0.021 0.000 0.991 776 S CB -0.210 62.983 63.200 -0.011 0.000 0.792 776 S HN 0.595 nan 8.310 nan 0.000 0.488 777 K N 2.166 122.564 120.400 -0.003 0.000 2.002 777 K HA 0.108 4.430 4.320 0.003 0.000 0.209 777 K C 2.415 179.089 176.600 0.123 0.000 1.048 777 K CA 1.243 57.542 56.287 0.020 0.000 0.930 777 K CB -0.883 31.576 32.500 -0.070 0.000 0.714 777 K HN 0.375 nan 8.250 nan 0.000 0.438 778 A N 2.005 124.909 122.820 0.139 0.000 1.902 778 A HA -0.047 4.274 4.320 0.003 0.000 0.217 778 A C 2.296 180.194 177.584 0.523 0.000 1.181 778 A CA 1.215 53.494 52.037 0.404 0.000 0.623 778 A CB -0.727 18.520 19.000 0.411 0.000 0.818 778 A HN 0.276 nan 8.150 nan 0.000 0.443 779 L N -0.777 120.582 121.223 0.226 0.000 2.083 779 L HA -0.212 4.130 4.340 0.003 0.000 0.209 779 L C 2.869 179.944 176.870 0.342 0.000 1.083 779 L CA 1.089 56.089 54.840 0.266 0.000 0.752 779 L CB -0.489 41.592 42.059 0.037 0.000 0.899 779 L HN 0.391 nan 8.230 nan 0.000 0.433 780 Q N -0.221 119.727 119.800 0.247 0.000 2.079 780 Q HA -0.116 4.225 4.340 0.003 0.000 0.200 780 Q C 2.451 178.615 176.000 0.274 0.000 0.974 780 Q CA 1.627 57.554 55.803 0.206 0.000 0.840 780 Q CB -0.351 28.468 28.738 0.135 0.000 0.898 780 Q HN 0.519 nan 8.270 nan 0.000 0.430 781 A N 0.319 123.376 122.820 0.396 0.000 1.933 781 A HA -0.171 4.151 4.320 0.003 0.000 0.218 781 A C 1.909 179.826 177.584 0.556 0.000 1.175 781 A CA 1.179 53.527 52.037 0.519 0.000 0.628 781 A CB -0.749 18.659 19.000 0.679 0.000 0.814 781 A HN 0.341 nan 8.150 nan 0.000 0.444 782 F N 0.479 120.658 119.950 0.382 0.000 2.186 782 F HA -0.115 4.414 4.527 0.003 0.000 0.299 782 F C 2.326 178.133 175.800 0.012 0.000 1.090 782 F CA 1.978 59.924 58.000 -0.089 0.000 1.307 782 F CB -0.355 38.707 39.000 0.104 0.000 1.019 782 F HN 0.323 nan 8.300 nan 0.000 0.489 783 Q N 0.875 120.707 119.800 0.053 0.000 2.124 783 Q HA -0.171 4.170 4.340 0.003 0.000 0.202 783 Q C 2.085 178.024 176.000 -0.102 0.000 0.977 783 Q CA 1.904 57.666 55.803 -0.068 0.000 0.850 783 Q CB -0.225 28.549 28.738 0.059 0.000 0.901 783 Q HN 0.375 nan 8.270 nan 0.000 0.429 784 K N -0.758 119.652 120.400 0.016 0.000 2.057 784 K HA -0.128 4.193 4.320 0.003 0.000 0.206 784 K C 1.923 178.530 176.600 0.012 0.000 1.050 784 K CA 1.159 57.467 56.287 0.036 0.000 0.935 784 K CB -0.377 32.194 32.500 0.118 0.000 0.715 784 K HN 0.212 nan 8.250 nan 0.000 0.439 785 F N 1.790 121.624 119.950 -0.192 0.000 2.095 785 F HA -0.154 4.374 4.527 0.002 0.000 0.298 785 F C 2.065 177.645 175.800 -0.366 0.000 1.104 785 F CA 1.817 59.647 58.000 -0.283 0.000 1.232 785 F CB -0.949 37.714 39.000 -0.561 0.000 0.987 785 F HN 0.002 nan 8.300 nan 0.000 0.475 786 G N 0.154 108.560 108.800 -0.657 0.000 2.418 786 G HA2 -0.299 3.662 3.960 0.003 0.000 0.217 786 G HA3 -0.299 3.662 3.960 0.003 0.000 0.217 786 G C 1.568 176.228 174.900 -0.399 0.000 1.158 786 G CA 0.893 45.593 45.100 -0.666 0.000 0.771 786 G HN 0.373 nan 8.290 nan 0.000 0.545 787 N N 0.621 119.165 118.700 -0.260 0.000 2.188 787 N HA -0.066 4.675 4.740 0.003 0.000 0.184 787 N C 2.029 177.449 175.510 -0.151 0.000 1.018 787 N CA 1.174 54.124 53.050 -0.166 0.000 0.858 787 N CB -0.234 38.194 38.487 -0.098 0.000 0.989 787 N HN 0.224 nan 8.380 nan 0.000 0.426 788 K N 1.499 121.814 120.400 -0.141 0.000 2.057 788 K HA 0.049 4.370 4.320 0.003 0.000 0.207 788 K C 1.966 178.476 176.600 -0.149 0.000 1.049 788 K CA 0.867 57.100 56.287 -0.091 0.000 0.931 788 K CB -0.518 31.981 32.500 -0.002 0.000 0.714 788 K HN 0.115 nan 8.250 nan 0.000 0.440 789 L N 0.378 121.431 121.223 -0.283 0.000 2.083 789 L HA -0.181 4.160 4.340 0.003 0.000 0.209 789 L C 2.279 179.016 176.870 -0.221 0.000 1.083 789 L CA 1.494 56.162 54.840 -0.288 0.000 0.752 789 L CB -0.319 41.462 42.059 -0.463 0.000 0.899 789 L HN 0.161 nan 8.230 nan 0.000 0.433 790 K N -0.199 120.071 120.400 -0.218 0.000 2.097 790 K HA -0.225 4.097 4.320 0.003 0.000 0.205 790 K C 2.050 178.560 176.600 -0.150 0.000 1.050 790 K CA 1.387 57.565 56.287 -0.182 0.000 0.938 790 K CB -0.094 32.309 32.500 -0.163 0.000 0.718 790 K HN 0.287 nan 8.250 nan 0.000 0.442 791 E N 1.152 121.277 120.200 -0.124 0.000 2.077 791 E HA -0.185 4.167 4.350 0.003 0.000 0.193 791 E C 1.929 178.474 176.600 -0.091 0.000 0.989 791 E CA 1.008 57.354 56.400 -0.091 0.000 0.800 791 E CB 0.014 29.675 29.700 -0.064 0.000 0.746 791 E HN 0.239 nan 8.360 nan 0.000 0.452 792 I N 0.874 121.388 120.570 -0.094 0.000 2.226 792 I HA -0.244 3.928 4.170 0.003 0.000 0.245 792 I C 2.608 178.641 176.117 -0.140 0.000 1.100 792 I CA 1.277 62.530 61.300 -0.078 0.000 1.374 792 I CB -0.264 37.706 38.000 -0.051 0.000 1.057 792 I HN 0.245 nan 8.210 nan 0.000 0.413 793 E N 1.090 121.167 120.200 -0.204 0.000 2.085 793 E HA -0.271 4.080 4.350 0.003 0.000 0.194 793 E C 2.028 178.411 176.600 -0.362 0.000 0.994 793 E CA 1.465 57.650 56.400 -0.359 0.000 0.801 793 E CB 0.047 29.536 29.700 -0.352 0.000 0.743 793 E HN 0.454 nan 8.360 nan 0.000 0.453 794 E N 0.345 120.411 120.200 -0.222 0.000 2.085 794 E HA -0.243 4.109 4.350 0.003 0.000 0.194 794 E C 2.086 178.609 176.600 -0.129 0.000 0.994 794 E CA 1.111 57.414 56.400 -0.162 0.000 0.801 794 E CB -0.066 29.571 29.700 -0.105 0.000 0.743 794 E HN 0.139 nan 8.360 nan 0.000 0.453 795 K N 0.887 121.224 120.400 -0.106 0.000 2.057 795 K HA -0.137 4.185 4.320 0.003 0.000 0.207 795 K C 2.120 178.693 176.600 -0.046 0.000 1.049 795 K CA 0.920 57.174 56.287 -0.055 0.000 0.931 795 K CB -0.002 32.481 32.500 -0.029 0.000 0.714 795 K HN 0.092 nan 8.250 nan 0.000 0.440 796 L N 0.509 121.673 121.223 -0.099 0.000 2.093 796 L HA -0.141 4.200 4.340 0.003 0.000 0.208 796 L C 2.357 179.239 176.870 0.019 0.000 1.085 796 L CA 0.602 55.429 54.840 -0.023 0.000 0.755 796 L CB -0.417 41.610 42.059 -0.053 0.000 0.904 796 L HN 0.024 nan 8.230 nan 0.000 0.435 797 V N 0.059 119.884 119.914 -0.147 0.000 2.343 797 V HA -0.269 3.853 4.120 0.003 0.000 0.247 797 V C 2.683 178.811 176.094 0.057 0.000 1.051 797 V CA 1.705 64.008 62.300 0.004 0.000 1.036 797 V CB -0.601 31.174 31.823 -0.080 0.000 0.654 797 V HN 0.422 nan 8.190 nan 0.000 0.451 798 R N -0.396 120.112 120.500 0.014 0.000 2.096 798 R HA -0.122 4.220 4.340 0.003 0.000 0.235 798 R C 2.546 178.879 176.300 0.055 0.000 1.127 798 R CA 1.391 57.508 56.100 0.028 0.000 0.968 798 R CB -0.318 29.987 30.300 0.009 0.000 0.861 798 R HN 0.496 nan 8.270 nan 0.000 0.440 799 R N 0.262 120.804 120.500 0.070 0.000 2.073 799 R HA -0.050 4.291 4.340 0.003 0.000 0.234 799 R C 1.924 178.294 176.300 0.118 0.000 1.134 799 R CA 1.212 57.367 56.100 0.092 0.000 0.952 799 R CB -0.256 30.110 30.300 0.109 0.000 0.850 799 R HN 0.216 nan 8.270 nan 0.000 0.433 800 N N 0.631 119.427 118.700 0.160 0.000 2.309 800 N HA -0.095 4.646 4.740 0.003 0.000 0.182 800 N C 0.942 176.526 175.510 0.123 0.000 1.018 800 N CA 0.931 54.083 53.050 0.170 0.000 0.876 800 N CB -0.178 38.446 38.487 0.228 0.000 0.972 800 N HN 0.235 nan 8.380 nan 0.000 0.434 801 N N 0.782 119.543 118.700 0.101 0.000 2.412 801 N HA -0.066 4.676 4.740 0.003 0.000 0.184 801 N C -0.252 175.294 175.510 0.060 0.000 1.101 801 N CA 0.189 53.285 53.050 0.075 0.000 0.881 801 N CB 0.054 38.579 38.487 0.063 0.000 0.969 801 N HN 0.186 nan 8.380 nan 0.000 0.459 802 D N 1.584 122.021 120.400 0.061 0.000 2.338 802 D HA 0.102 4.744 4.640 0.003 0.000 0.255 802 D C -1.604 174.725 176.300 0.048 0.000 1.237 802 D CA -1.945 52.084 54.000 0.049 0.000 0.883 802 D CB 1.521 42.349 40.800 0.048 0.000 1.087 802 D HN 0.014 nan 8.370 nan 0.000 0.485 803 P HA -0.158 nan 4.420 nan 0.000 0.218 803 P C 1.287 178.608 177.300 0.034 0.000 1.146 803 P CA 1.059 64.181 63.100 0.037 0.000 0.813 803 P CB 0.126 31.845 31.700 0.031 0.000 0.778 804 S N -1.211 114.508 115.700 0.032 0.000 2.481 804 S HA -0.029 4.443 4.470 0.003 0.000 0.231 804 S C 1.496 176.113 174.600 0.029 0.000 0.996 804 S CA 0.747 58.963 58.200 0.027 0.000 0.942 804 S CB -1.196 62.018 63.200 0.024 0.000 0.768 804 S HN 0.131 nan 8.310 nan 0.000 0.520 805 L N 0.792 122.038 121.223 0.038 0.000 2.667 805 L HA 0.280 4.622 4.340 0.003 0.000 0.232 805 L C 2.589 179.489 176.870 0.050 0.000 1.138 805 L CA -0.104 54.761 54.840 0.042 0.000 0.921 805 L CB -0.228 41.863 42.059 0.054 0.000 1.180 805 L HN 0.279 nan 8.230 nan 0.000 0.487 806 Q N 1.469 121.299 119.800 0.050 0.000 2.135 806 Q HA -0.173 4.169 4.340 0.003 0.000 0.204 806 Q C 1.996 178.028 176.000 0.052 0.000 0.981 806 Q CA 2.065 57.902 55.803 0.057 0.000 0.856 806 Q CB -0.113 28.654 28.738 0.049 0.000 0.902 806 Q HN 0.520 nan 8.270 nan 0.000 0.425 807 G N 0.900 109.722 108.800 0.036 0.000 2.469 807 G HA2 -0.286 3.676 3.960 0.003 0.000 0.219 807 G HA3 -0.286 3.676 3.960 0.003 0.000 0.219 807 G C 1.296 176.211 174.900 0.024 0.000 1.150 807 G CA 1.136 46.252 45.100 0.027 0.000 0.763 807 G HN 0.386 nan 8.290 nan 0.000 0.561 808 N N -0.424 118.285 118.700 0.016 0.000 2.414 808 N HA 0.084 4.825 4.740 0.003 0.000 0.177 808 N C 2.186 177.718 175.510 0.036 0.000 1.062 808 N CA 0.127 53.177 53.050 0.000 0.000 0.890 808 N CB -0.042 38.420 38.487 -0.042 0.000 1.070 808 N HN 0.290 nan 8.380 nan 0.000 0.454 809 R N -0.230 120.313 120.500 0.072 0.000 2.200 809 R HA 0.186 4.528 4.340 0.003 0.000 0.208 809 R C 0.783 177.199 176.300 0.193 0.000 1.033 809 R CA 0.662 56.845 56.100 0.139 0.000 1.000 809 R CB 0.273 30.665 30.300 0.153 0.000 0.906 809 R HN 0.081 nan 8.270 nan 0.000 0.462 810 L N -1.669 119.640 121.223 0.144 0.000 2.663 810 L HA 0.318 4.659 4.340 0.003 0.000 0.218 810 L C 0.945 177.892 176.870 0.129 0.000 1.043 810 L CA 0.970 55.897 54.840 0.144 0.000 0.876 810 L CB 0.104 42.228 42.059 0.108 0.000 1.263 810 L HN 0.288 nan 8.230 nan 0.000 0.486 811 G N 0.554 109.413 108.800 0.099 0.000 2.804 811 G HA2 -0.222 3.739 3.960 0.003 0.000 0.230 811 G HA3 -0.222 3.739 3.960 0.003 0.000 0.230 811 G C -1.981 172.964 174.900 0.075 0.000 1.386 811 G CA -0.103 45.049 45.100 0.087 0.000 0.875 811 G HN 0.124 nan 8.290 nan 0.000 0.557 812 P HA -0.013 nan 4.420 nan 0.000 0.226 812 P C 1.823 179.157 177.300 0.058 0.000 1.153 812 P CA 1.950 65.081 63.100 0.052 0.000 0.777 812 P CB -0.234 31.490 31.700 0.040 0.000 0.794 813 V N -4.289 115.674 119.914 0.083 0.000 3.573 813 V HA 0.035 4.157 4.120 0.003 0.000 0.270 813 V C 0.723 176.848 176.094 0.052 0.000 1.221 813 V CA 0.258 62.604 62.300 0.078 0.000 1.163 813 V CB -1.378 30.513 31.823 0.113 0.000 0.847 813 V HN -0.016 nan 8.190 nan 0.000 0.468 814 Q N -0.046 119.791 119.800 0.062 0.000 2.439 814 Q HA -0.207 4.134 4.340 0.003 0.000 0.325 814 Q C -0.403 175.627 176.000 0.049 0.000 1.372 814 Q CA 0.906 56.743 55.803 0.056 0.000 0.909 814 Q CB -1.499 27.262 28.738 0.038 0.000 1.167 814 Q HN 0.688 nan 8.270 nan 0.000 0.418 815 L N 0.625 121.889 121.223 0.069 0.000 2.337 815 L HA 0.472 4.813 4.340 0.003 0.000 0.269 815 L C -2.421 174.543 176.870 0.157 0.000 1.018 815 L CA -1.871 52.991 54.840 0.038 0.000 0.876 815 L CB 1.356 43.359 42.059 -0.093 0.000 1.236 815 L HN -0.171 nan 8.230 nan 0.000 0.436 816 P HA -0.078 nan 4.420 nan 0.000 0.262 816 P C -1.305 176.162 177.300 0.279 0.000 1.182 816 P CA 0.326 63.539 63.100 0.189 0.000 0.761 816 P CB -0.014 31.757 31.700 0.119 0.000 0.795 817 Y N 3.848 124.247 120.300 0.165 0.000 2.680 817 Y HA 0.107 4.659 4.550 0.003 0.000 0.356 817 Y C 1.156 177.005 175.900 -0.085 0.000 1.122 817 Y CA 0.583 58.758 58.100 0.126 0.000 1.509 817 Y CB -0.290 38.257 38.460 0.146 0.000 1.245 817 Y HN 0.354 nan 8.280 nan 0.000 0.513 818 T N 1.474 115.610 114.554 -0.698 0.000 3.084 818 T HA 0.125 4.476 4.350 0.003 0.000 0.270 818 T C 1.441 175.575 174.700 -0.943 0.000 1.008 818 T CA -0.096 61.383 62.100 -1.037 0.000 0.900 818 T CB -0.293 67.886 68.868 -1.148 0.000 1.084 818 T HN 0.633 nan 8.240 nan 0.000 0.538 819 L N 0.236 120.707 121.223 -1.253 0.000 2.265 819 L HA 0.173 4.515 4.340 0.003 0.000 0.215 819 L C 1.764 178.423 176.870 -0.351 0.000 1.117 819 L CA 1.169 55.502 54.840 -0.846 0.000 0.782 819 L CB -0.254 41.295 42.059 -0.850 0.000 0.914 819 L HN 0.353 nan 8.230 nan 0.000 0.441 820 L N -1.621 119.456 121.223 -0.244 0.000 2.769 820 L HA 0.135 4.477 4.340 0.003 0.000 0.240 820 L C -0.231 176.721 176.870 0.137 0.000 1.163 820 L CA -0.561 54.301 54.840 0.038 0.000 0.962 820 L CB 0.098 42.258 42.059 0.169 0.000 1.258 820 L HN 0.016 nan 8.230 nan 0.000 0.513 821 Y N 1.177 121.396 120.300 -0.136 0.000 2.544 821 Y HA 0.067 4.618 4.550 0.002 0.000 0.330 821 Y C -1.247 174.579 175.900 -0.123 0.000 1.136 821 Y CA -2.435 55.596 58.100 -0.115 0.000 1.417 821 Y CB 0.278 38.656 38.460 -0.136 0.000 1.229 821 Y HN -0.041 nan 8.280 nan 0.000 0.532 822 P HA -0.129 nan 4.420 nan 0.000 0.215 822 P C -0.035 177.169 177.300 -0.160 0.000 1.153 822 P CA 1.579 64.638 63.100 -0.068 0.000 0.853 822 P CB 0.237 31.855 31.700 -0.135 0.000 0.788 823 S N -2.143 113.420 115.700 -0.228 0.000 2.651 823 S HA 0.679 5.151 4.470 0.003 0.000 0.291 823 S C -0.232 174.082 174.600 -0.477 0.000 1.141 823 S CA -0.474 57.456 58.200 -0.449 0.000 1.027 823 S CB 1.621 64.622 63.200 -0.332 0.000 1.043 823 S HN -0.010 nan 8.310 nan 0.000 0.530 824 S N 0.251 115.479 115.700 -0.788 0.000 2.552 824 S HA 0.393 4.865 4.470 0.003 0.000 0.272 824 S C -1.553 172.781 174.600 -0.442 0.000 1.150 824 S CA -0.692 57.196 58.200 -0.519 0.000 0.849 824 S CB 1.252 64.163 63.200 -0.481 0.000 1.113 824 S HN 0.773 nan 8.310 nan 0.000 0.458 825 E N 1.892 121.985 120.200 -0.177 0.000 2.322 825 E HA 0.260 4.612 4.350 0.003 0.000 0.257 825 E C 0.173 176.782 176.600 0.015 0.000 1.155 825 E CA -0.548 55.809 56.400 -0.071 0.000 0.936 825 E CB 0.346 30.032 29.700 -0.023 0.000 1.130 825 E HN 0.776 nan 8.360 nan 0.000 0.465 826 E N 0.285 120.527 120.200 0.069 0.000 2.409 826 E HA 0.317 4.669 4.350 0.003 0.000 0.257 826 E C 0.601 177.281 176.600 0.134 0.000 1.150 826 E CA -0.002 56.476 56.400 0.131 0.000 0.942 826 E CB 0.397 30.157 29.700 0.100 0.000 0.979 826 E HN 0.595 nan 8.360 nan 0.000 0.447 827 G N 0.147 109.042 108.800 0.159 0.000 2.466 827 G HA2 -0.164 3.797 3.960 0.003 0.000 0.316 827 G HA3 -0.164 3.797 3.960 0.003 0.000 0.316 827 G C -1.025 173.957 174.900 0.136 0.000 1.270 827 G CA -0.320 44.850 45.100 0.116 0.000 0.982 827 G HN 0.647 nan 8.290 nan 0.000 0.506 828 L N 2.127 123.417 121.223 0.111 0.000 2.449 828 L HA 0.473 4.815 4.340 0.003 0.000 0.255 828 L C 1.995 179.004 176.870 0.233 0.000 1.167 828 L CA 0.434 55.361 54.840 0.144 0.000 1.090 828 L CB 0.106 42.214 42.059 0.081 0.000 1.385 828 L HN 0.975 nan 8.230 nan 0.000 0.411 829 T N -0.776 113.909 114.554 0.218 0.000 3.044 829 T HA -0.006 4.346 4.350 0.003 0.000 0.250 829 T C 0.956 175.767 174.700 0.186 0.000 1.081 829 T CA -0.085 62.145 62.100 0.216 0.000 1.040 829 T CB -0.103 68.866 68.868 0.168 0.000 0.962 829 T HN 0.442 nan 8.240 nan 0.000 0.506 830 F N 2.378 122.268 119.950 -0.100 0.000 3.034 830 F HA -0.255 4.274 4.527 0.002 0.000 0.286 830 F C 0.167 175.842 175.800 -0.208 0.000 0.804 830 F CA 0.861 58.709 58.000 -0.253 0.000 1.161 830 F CB -1.371 37.228 39.000 -0.669 0.000 1.317 830 F HN 0.707 nan 8.300 nan 0.000 0.453 831 R N -0.325 120.103 120.500 -0.120 0.000 2.747 831 R HA 0.741 5.083 4.340 0.003 0.000 0.272 831 R C 0.107 176.371 176.300 -0.061 0.000 1.032 831 R CA -0.874 55.101 56.100 -0.208 0.000 0.896 831 R CB 1.281 31.435 30.300 -0.243 0.000 1.253 831 R HN 1.276 nan 8.270 nan 0.000 0.461 832 G N 0.846 109.591 108.800 -0.091 0.000 3.209 832 G HA2 -0.010 3.951 3.960 0.003 0.000 0.686 832 G HA3 -0.010 3.951 3.960 0.003 0.000 0.686 832 G C -0.840 174.084 174.900 0.040 0.000 1.065 832 G CA -0.621 44.400 45.100 -0.132 0.000 0.812 832 G HN 0.531 nan 8.290 nan 0.000 0.573 833 I N 4.369 125.026 120.570 0.146 0.000 2.337 833 I HA 0.267 4.439 4.170 0.003 0.000 0.285 833 I C -2.038 174.229 176.117 0.251 0.000 1.041 833 I CA -2.204 59.212 61.300 0.195 0.000 1.199 833 I CB 1.927 40.006 38.000 0.133 0.000 1.370 833 I HN 0.187 nan 8.210 nan 0.000 0.470 834 P HA 0.175 nan 4.420 nan 0.000 0.274 834 P C 0.286 177.653 177.300 0.111 0.000 1.246 834 P CA -0.353 62.724 63.100 -0.039 0.000 0.795 834 P CB 0.733 32.444 31.700 0.018 0.000 1.006 835 N N -0.885 117.851 118.700 0.061 0.000 2.244 835 N HA -0.050 4.692 4.740 0.003 0.000 0.183 835 N C 0.706 176.378 175.510 0.271 0.000 1.016 835 N CA 1.079 54.237 53.050 0.180 0.000 0.866 835 N CB -0.129 38.301 38.487 -0.095 0.000 0.980 835 N HN 0.527 nan 8.380 nan 0.000 0.430 836 S N -1.062 114.722 115.700 0.140 0.000 2.806 836 S HA 0.534 5.006 4.470 0.003 0.000 0.306 836 S C -0.279 174.336 174.600 0.025 0.000 1.167 836 S CA -0.839 57.435 58.200 0.123 0.000 0.847 836 S CB 1.230 64.489 63.200 0.098 0.000 1.216 836 S HN -0.006 nan 8.310 nan 0.000 0.532 837 I N 2.936 123.418 120.570 -0.146 0.000 2.243 837 I HA 0.164 4.335 4.170 0.003 0.000 0.297 837 I C 1.067 177.030 176.117 -0.256 0.000 1.161 837 I CA -0.201 60.734 61.300 -0.609 0.000 1.298 837 I CB 0.403 37.962 38.000 -0.735 0.000 1.475 837 I HN 0.813 nan 8.210 nan 0.000 0.561 838 S N 4.788 120.459 115.700 -0.049 0.000 2.540 838 S HA 0.329 4.800 4.470 0.003 0.000 0.218 838 S C 0.194 174.906 174.600 0.186 0.000 0.977 838 S CA -0.205 58.056 58.200 0.101 0.000 0.918 838 S CB 0.303 63.585 63.200 0.137 0.000 0.806 838 S HN 0.460 nan 8.310 nan 0.000 0.496 839 I N 0.000 120.719 120.570 0.249 0.000 2.984 839 I HA 0.000 4.172 4.170 0.003 0.000 0.288 839 I CA 0.000 61.483 61.300 0.305 0.000 1.566 839 I CB 0.000 38.169 38.000 0.281 0.000 1.214 839 I HN 0.000 nan 8.210 nan 0.000 0.494