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 1f8n_1_A DATA FIRST_RESID 6 DATA SEQUENCE HKIKGTVVLM PKNXXXXXXX XXXXXNLNAF LGRSVSLQLI SATKADAHGK DATA SEQUENCE GKVGKDTFLE GINTSLPTLG AGESAFNIHF EWDGSMGIPG AFYIKNYMQV DATA SEQUENCE EFFLKSLTLE AXXXXGTIRF 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 VIVNDSCYHQ 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 0.000 175.429 175.328 0.169 0.000 0.993 6 H CA 0.000 56.120 56.048 0.119 0.000 1.023 6 H CB 0.000 nan 29.762 nan 0.000 1.292 7 K N 0.686 121.189 120.400 0.171 0.000 2.270 7 K HA 0.722 5.044 4.320 0.004 0.000 0.255 7 K C -1.277 175.462 176.600 0.232 0.000 0.936 7 K CA -0.582 55.836 56.287 0.218 0.000 0.809 7 K CB 2.918 35.536 32.500 0.197 0.000 1.131 7 K HN 0.420 nan 8.250 nan 0.000 0.427 8 I N 2.803 123.529 120.570 0.261 0.000 2.355 8 I HA 0.195 4.367 4.170 0.004 0.000 0.288 8 I C -0.109 176.078 176.117 0.116 0.000 0.999 8 I CA -0.788 60.619 61.300 0.178 0.000 1.163 8 I CB 1.494 39.564 38.000 0.118 0.000 1.316 8 I HN 0.416 nan 8.210 nan 0.000 0.454 9 K N 5.183 125.579 120.400 -0.007 0.000 2.379 9 K HA 0.481 4.803 4.320 0.004 0.000 0.284 9 K C -0.033 176.473 176.600 -0.156 0.000 1.044 9 K CA -0.055 56.070 56.287 -0.270 0.000 0.974 9 K CB 0.822 33.230 32.500 -0.155 0.000 0.962 9 K HN 0.834 nan 8.250 nan 0.000 0.474 10 G N 1.693 110.377 108.800 -0.193 0.000 2.605 10 G HA2 0.500 4.463 3.960 0.004 0.000 0.296 10 G HA3 0.500 4.463 3.960 0.004 0.000 0.296 10 G C -1.346 173.488 174.900 -0.111 0.000 1.304 10 G CA -0.537 44.524 45.100 -0.066 0.000 0.941 10 G HN 0.494 nan 8.290 nan 0.000 0.475 11 T N 0.263 114.762 114.554 -0.091 0.000 2.879 11 T HA 0.500 4.852 4.350 0.004 0.000 0.290 11 T C -0.645 174.001 174.700 -0.090 0.000 0.993 11 T CA -0.304 61.747 62.100 -0.081 0.000 0.975 11 T CB 1.715 70.540 68.868 -0.071 0.000 0.981 11 T HN 0.384 nan 8.240 nan 0.000 0.439 12 V N 3.864 123.740 119.914 -0.064 0.000 2.398 12 V HA 0.532 4.654 4.120 0.004 0.000 0.286 12 V C -0.181 175.897 176.094 -0.027 0.000 1.026 12 V CA -0.698 61.553 62.300 -0.082 0.000 0.868 12 V CB 1.738 33.498 31.823 -0.105 0.000 0.982 12 V HN 0.708 nan 8.190 nan 0.000 0.443 13 V N 6.736 126.609 119.914 -0.068 0.000 2.417 13 V HA 0.675 4.797 4.120 0.004 0.000 0.291 13 V C -0.354 175.688 176.094 -0.088 0.000 1.024 13 V CA -0.445 61.817 62.300 -0.063 0.000 0.861 13 V CB 1.368 33.155 31.823 -0.059 0.000 0.985 13 V HN 0.795 nan 8.190 nan 0.000 0.436 14 L N 2.714 123.886 121.223 -0.085 0.000 2.403 14 L HA 0.833 5.176 4.340 0.004 0.000 0.253 14 L C -0.848 175.982 176.870 -0.067 0.000 1.045 14 L CA -0.928 53.843 54.840 -0.116 0.000 0.845 14 L CB 2.249 44.131 42.059 -0.295 0.000 1.447 14 L HN 0.491 nan 8.230 nan 0.000 0.411 15 M N 1.389 121.001 119.600 0.020 0.000 2.142 15 M HA 0.534 5.016 4.480 0.004 0.000 0.299 15 M C -2.553 173.841 176.300 0.156 0.000 0.960 15 M CA -1.274 54.069 55.300 0.073 0.000 0.920 15 M CB 2.176 34.845 32.600 0.115 0.000 1.541 15 M HN 0.406 nan 8.290 nan 0.000 0.429 16 P HA 0.021 nan 4.420 nan 0.000 0.269 16 P C -0.519 176.997 177.300 0.361 0.000 1.209 16 P CA -0.268 63.061 63.100 0.381 0.000 0.776 16 P CB 0.533 32.478 31.700 0.409 0.000 0.876 17 K N 1.571 122.233 120.400 0.436 0.000 3.387 17 K HA 0.102 4.424 4.320 0.004 0.000 0.300 17 K C 0.110 176.866 176.600 0.260 0.000 0.980 17 K CA 0.276 56.818 56.287 0.425 0.000 1.098 17 K CB -1.577 31.135 32.500 0.355 0.000 1.227 17 K HN 0.609 nan 8.250 nan 0.000 0.367 32 L N 0.464 121.902 121.223 0.359 0.000 2.173 32 L HA -0.426 3.917 4.340 0.004 0.000 0.239 32 L C 1.528 178.711 176.870 0.521 0.000 1.123 32 L CA 1.962 57.119 54.840 0.528 0.000 0.847 32 L CB -0.771 41.434 42.059 0.242 0.000 0.940 32 L HN 0.623 nan 8.230 nan 0.000 0.450 33 N N -0.214 118.651 118.700 0.274 0.000 2.247 33 N HA -0.212 4.530 4.740 0.004 0.000 0.189 33 N C 1.684 177.268 175.510 0.123 0.000 1.009 33 N CA 1.551 54.715 53.050 0.189 0.000 0.872 33 N CB -0.185 38.364 38.487 0.104 0.000 0.980 33 N HN 0.521 nan 8.380 nan 0.000 0.436 34 A N 0.026 122.879 122.820 0.057 0.000 2.121 34 A HA -0.032 4.291 4.320 0.004 0.000 0.218 34 A C 1.522 178.988 177.584 -0.197 0.000 1.154 34 A CA 0.662 52.635 52.037 -0.108 0.000 0.679 34 A CB -0.515 18.354 19.000 -0.219 0.000 0.795 34 A HN 0.176 nan 8.150 nan 0.000 0.458 35 F N -0.120 119.808 119.950 -0.036 0.000 2.710 35 F HA 0.225 4.755 4.527 0.004 0.000 0.298 35 F C 1.173 176.861 175.800 -0.187 0.000 1.137 35 F CA 0.092 57.973 58.000 -0.199 0.000 1.444 35 F CB -0.237 38.451 39.000 -0.519 0.000 1.111 35 F HN 0.078 nan 8.300 nan 0.000 0.580 36 L N -1.318 119.953 121.223 0.080 0.000 2.859 36 L HA 0.497 4.840 4.340 0.004 0.000 0.181 36 L C 1.701 178.586 176.870 0.026 0.000 1.196 36 L CA 0.029 54.906 54.840 0.061 0.000 1.062 36 L CB -0.844 41.271 42.059 0.093 0.000 1.961 36 L HN 0.276 nan 8.230 nan 0.000 0.507 37 G N -0.076 108.721 108.800 -0.005 0.000 2.574 37 G HA2 -0.339 3.623 3.960 0.004 0.000 0.286 37 G HA3 -0.339 3.623 3.960 0.004 0.000 0.286 37 G C 0.341 175.139 174.900 -0.171 0.000 1.212 37 G CA 0.401 45.450 45.100 -0.086 0.000 0.979 37 G HN 0.634 nan 8.290 nan 0.000 0.557 38 R N 0.512 120.855 120.500 -0.262 0.000 2.694 38 R HA 0.439 4.781 4.340 0.004 0.000 0.334 38 R C 1.945 178.305 176.300 0.100 0.000 1.143 38 R CA 0.485 56.300 56.100 -0.475 0.000 1.073 38 R CB 0.282 30.155 30.300 -0.711 0.000 1.366 38 R HN 0.302 nan 8.270 nan 0.000 0.577 39 S N 0.008 115.832 115.700 0.207 0.000 2.377 39 S HA 0.022 4.494 4.470 0.004 0.000 0.223 39 S C 0.839 175.711 174.600 0.452 0.000 1.030 39 S CA 0.576 58.946 58.200 0.282 0.000 0.970 39 S CB 0.438 63.705 63.200 0.112 0.000 0.830 39 S HN 0.032 nan 8.310 nan 0.000 0.473 40 V N 2.048 122.218 119.914 0.426 0.000 2.577 40 V HA 0.596 4.718 4.120 0.004 0.000 0.303 40 V C -0.540 175.642 176.094 0.147 0.000 1.042 40 V CA -0.783 61.693 62.300 0.294 0.000 0.872 40 V CB 1.792 33.683 31.823 0.114 0.000 0.998 40 V HN 0.337 nan 8.190 nan 0.000 0.423 41 S N 5.395 121.069 115.700 -0.044 0.000 2.536 41 S HA 0.930 5.403 4.470 0.004 0.000 0.298 41 S C -1.248 173.266 174.600 -0.143 0.000 1.083 41 S CA -0.681 57.258 58.200 -0.435 0.000 0.995 41 S CB 1.968 64.616 63.200 -0.920 0.000 1.058 41 S HN 0.389 nan 8.310 nan 0.000 0.488 42 L N 1.654 122.812 121.223 -0.108 0.000 2.354 42 L HA 0.619 4.962 4.340 0.004 0.000 0.264 42 L C -0.361 176.622 176.870 0.187 0.000 1.008 42 L CA -0.297 54.603 54.840 0.100 0.000 0.819 42 L CB 2.109 44.221 42.059 0.089 0.000 1.339 42 L HN 0.818 nan 8.230 nan 0.000 0.420 43 Q N 2.242 122.181 119.800 0.233 0.000 2.275 43 Q HA 0.564 4.907 4.340 0.004 0.000 0.266 43 Q C -1.332 174.726 176.000 0.097 0.000 1.002 43 Q CA -0.513 55.425 55.803 0.225 0.000 0.761 43 Q CB 2.427 31.325 28.738 0.266 0.000 1.255 43 Q HN 0.457 nan 8.270 nan 0.000 0.446 44 L N 3.275 124.459 121.223 -0.065 0.000 2.439 44 L HA 0.388 4.730 4.340 0.004 0.000 0.269 44 L C -0.137 176.673 176.870 -0.100 0.000 1.179 44 L CA -0.004 54.622 54.840 -0.357 0.000 0.828 44 L CB 0.391 41.882 42.059 -0.946 0.000 1.106 44 L HN 0.497 nan 8.230 nan 0.000 0.467 45 I N 1.260 121.726 120.570 -0.174 0.000 2.465 45 I HA 0.191 4.364 4.170 0.004 0.000 0.291 45 I C 0.059 176.235 176.117 0.099 0.000 1.014 45 I CA -0.277 61.007 61.300 -0.026 0.000 1.093 45 I CB 2.095 39.884 38.000 -0.353 0.000 1.267 45 I HN 0.512 nan 8.210 nan 0.000 0.431 46 S N 3.513 119.425 115.700 0.354 0.000 2.565 46 S HA 0.507 4.979 4.470 0.004 0.000 0.274 46 S C 0.774 175.519 174.600 0.242 0.000 1.309 46 S CA -0.085 58.348 58.200 0.388 0.000 1.043 46 S CB 1.381 64.854 63.200 0.455 0.000 0.939 46 S HN 0.737 nan 8.310 nan 0.000 0.504 47 A N 3.035 125.975 122.820 0.199 0.000 2.252 47 A HA 0.195 4.517 4.320 0.004 0.000 0.213 47 A C 1.725 179.373 177.584 0.106 0.000 1.188 47 A CA 0.781 52.909 52.037 0.152 0.000 0.863 47 A CB -0.282 18.802 19.000 0.140 0.000 0.893 47 A HN 0.914 nan 8.150 nan 0.000 0.495 48 T N -4.043 110.584 114.554 0.121 0.000 2.955 48 T HA 0.288 4.640 4.350 0.004 0.000 0.251 48 T C 0.426 175.171 174.700 0.075 0.000 1.002 48 T CA 0.164 62.311 62.100 0.078 0.000 0.970 48 T CB 0.056 68.968 68.868 0.074 0.000 1.091 48 T HN 0.073 nan 8.240 nan 0.000 0.495 49 K N 1.896 122.358 120.400 0.104 0.000 2.339 49 K HA 0.788 5.110 4.320 0.004 0.000 0.264 49 K C -0.878 175.772 176.600 0.084 0.000 0.986 49 K CA -0.523 55.806 56.287 0.070 0.000 0.866 49 K CB 1.386 33.912 32.500 0.043 0.000 1.103 49 K HN 0.378 nan 8.250 nan 0.000 0.441 50 A N 3.172 126.028 122.820 0.061 0.000 2.322 50 A HA 0.587 4.909 4.320 0.004 0.000 0.327 50 A C -0.735 176.882 177.584 0.055 0.000 1.134 50 A CA -0.718 51.361 52.037 0.069 0.000 0.831 50 A CB 0.530 19.560 19.000 0.050 0.000 1.288 50 A HN 0.857 nan 8.150 nan 0.000 0.472 51 D N 0.131 120.575 120.400 0.073 0.000 2.440 51 D HA 0.419 5.061 4.640 0.004 0.000 0.269 51 D C 0.995 177.329 176.300 0.057 0.000 1.249 51 D CA 0.160 54.202 54.000 0.071 0.000 1.055 51 D CB 0.262 41.124 40.800 0.103 0.000 1.104 51 D HN 0.482 nan 8.370 nan 0.000 0.561 52 A N -1.612 121.245 122.820 0.061 0.000 2.248 52 A HA -0.121 4.202 4.320 0.004 0.000 0.210 52 A C 1.155 178.697 177.584 -0.069 0.000 1.174 52 A CA 0.726 52.765 52.037 0.004 0.000 0.750 52 A CB -0.786 18.218 19.000 0.008 0.000 0.780 52 A HN 0.598 nan 8.150 nan 0.000 0.478 53 H N -1.716 117.350 119.070 -0.007 0.000 2.674 53 H HA 0.249 4.808 4.556 0.004 0.000 0.274 53 H C 1.595 176.900 175.328 -0.038 0.000 1.121 53 H CA 0.564 56.600 56.048 -0.020 0.000 1.132 53 H CB 0.426 30.177 29.762 -0.019 0.000 1.606 53 H HN 0.585 nan 8.280 nan 0.000 0.558 54 G N 1.708 110.530 108.800 0.037 0.000 2.184 54 G HA2 -0.295 3.667 3.960 0.004 0.000 0.264 54 G HA3 -0.295 3.667 3.960 0.004 0.000 0.264 54 G C 0.274 175.163 174.900 -0.018 0.000 0.975 54 G CA 0.238 45.339 45.100 0.002 0.000 0.642 54 G HN 0.294 nan 8.290 nan 0.000 0.536 55 K N 0.776 121.166 120.400 -0.016 0.000 2.143 55 K HA 0.527 4.849 4.320 0.004 0.000 0.272 55 K C 1.025 177.680 176.600 0.093 0.000 1.001 55 K CA -0.184 56.038 56.287 -0.109 0.000 0.915 55 K CB 1.291 33.660 32.500 -0.220 0.000 1.047 55 K HN 0.280 nan 8.250 nan 0.000 0.458 56 G N 2.535 111.489 108.800 0.257 0.000 2.353 56 G HA2 -0.061 3.901 3.960 0.004 0.000 0.239 56 G HA3 -0.061 3.901 3.960 0.004 0.000 0.239 56 G C -0.342 174.752 174.900 0.322 0.000 1.295 56 G CA -0.301 44.996 45.100 0.328 0.000 0.884 56 G HN 0.486 nan 8.290 nan 0.000 0.537 57 K N 0.289 120.824 120.400 0.225 0.000 2.414 57 K HA 0.242 4.565 4.320 0.004 0.000 0.272 57 K C -0.103 176.650 176.600 0.255 0.000 0.993 57 K CA -0.183 56.215 56.287 0.184 0.000 0.964 57 K CB 1.178 33.716 32.500 0.063 0.000 0.925 57 K HN 0.190 nan 8.250 nan 0.000 0.487 58 V N 2.076 122.129 119.914 0.232 0.000 2.513 58 V HA 0.312 4.435 4.120 0.004 0.000 0.299 58 V C 0.810 177.066 176.094 0.271 0.000 1.035 58 V CA -0.807 61.661 62.300 0.280 0.000 0.889 58 V CB 1.575 33.570 31.823 0.287 0.000 0.988 58 V HN 0.975 nan 8.190 nan 0.000 0.440 59 G N 3.133 112.179 108.800 0.409 0.000 2.535 59 G HA2 0.353 4.316 3.960 0.004 0.000 0.282 59 G HA3 0.353 4.316 3.960 0.004 0.000 0.282 59 G C -0.235 174.821 174.900 0.260 0.000 1.350 59 G CA -0.689 44.639 45.100 0.380 0.000 1.039 59 G HN 0.647 nan 8.290 nan 0.000 0.509 60 K N 0.127 120.670 120.400 0.239 0.000 2.202 60 K HA 0.139 4.461 4.320 0.004 0.000 0.264 60 K C -0.590 176.102 176.600 0.153 0.000 1.010 60 K CA -0.377 56.014 56.287 0.173 0.000 0.940 60 K CB 0.692 33.283 32.500 0.152 0.000 0.983 60 K HN 0.352 nan 8.250 nan 0.000 0.475 61 D N 2.178 122.633 120.400 0.092 0.000 2.401 61 D HA 0.015 4.657 4.640 0.004 0.000 0.254 61 D C -0.534 175.694 176.300 -0.119 0.000 1.192 61 D CA 0.693 54.672 54.000 -0.034 0.000 0.885 61 D CB 0.736 41.513 40.800 -0.038 0.000 1.147 61 D HN 0.325 nan 8.370 nan 0.000 0.478 62 T N 2.954 117.373 114.554 -0.225 0.000 2.807 62 T HA 0.408 4.760 4.350 0.004 0.000 0.279 62 T C -0.030 174.426 174.700 -0.407 0.000 0.993 62 T CA -0.582 61.377 62.100 -0.235 0.000 0.970 62 T CB 0.589 69.258 68.868 -0.331 0.000 0.950 62 T HN 0.048 nan 8.240 nan 0.000 0.441 63 F N 1.348 121.258 119.950 -0.066 0.000 2.440 63 F HA 0.524 5.053 4.527 0.004 0.000 0.328 63 F C 0.652 176.390 175.800 -0.102 0.000 1.070 63 F CA -1.509 56.462 58.000 -0.049 0.000 1.011 63 F CB 0.624 39.619 39.000 -0.008 0.000 1.226 63 F HN 0.261 nan 8.300 nan 0.000 0.491 64 L N 1.758 123.025 121.223 0.074 0.000 2.490 64 L HA 0.063 4.405 4.340 0.004 0.000 0.274 64 L C 1.204 178.110 176.870 0.061 0.000 1.201 64 L CA 0.303 55.135 54.840 -0.014 0.000 0.869 64 L CB 0.385 42.348 42.059 -0.159 0.000 1.123 64 L HN 0.818 nan 8.230 nan 0.000 0.484 65 E N 1.341 121.583 120.200 0.070 0.000 2.465 65 E HA 0.323 4.675 4.350 0.004 0.000 0.209 65 E C 0.577 177.240 176.600 0.105 0.000 0.951 65 E CA 0.244 56.692 56.400 0.081 0.000 0.997 65 E CB 0.909 30.651 29.700 0.070 0.000 1.025 65 E HN 0.718 nan 8.360 nan 0.000 0.500 66 G N 0.729 109.625 108.800 0.160 0.000 2.466 66 G HA2 0.407 4.369 3.960 0.004 0.000 0.291 66 G HA3 0.407 4.369 3.960 0.004 0.000 0.291 66 G C -1.759 173.241 174.900 0.167 0.000 1.460 66 G CA -1.043 44.151 45.100 0.156 0.000 0.791 66 G HN 0.017 nan 8.290 nan 0.000 0.505 67 I N 2.042 122.638 120.570 0.043 0.000 2.337 67 I HA 0.229 4.401 4.170 0.004 0.000 0.291 67 I C 0.407 176.422 176.117 -0.170 0.000 1.046 67 I CA -0.948 60.231 61.300 -0.201 0.000 1.324 67 I CB 1.065 38.943 38.000 -0.204 0.000 1.409 67 I HN 0.382 nan 8.210 nan 0.000 0.494 68 N N 4.334 122.901 118.700 -0.220 0.000 2.444 68 N HA 0.148 4.890 4.740 0.004 0.000 0.271 68 N C -0.321 175.097 175.510 -0.154 0.000 1.069 68 N CA 0.187 53.154 53.050 -0.139 0.000 0.965 68 N CB 0.975 39.394 38.487 -0.114 0.000 1.092 68 N HN 0.566 nan 8.380 nan 0.000 0.476 69 T N 1.679 116.173 114.554 -0.101 0.000 3.658 69 T HA 0.338 4.690 4.350 0.004 0.000 0.245 69 T C 0.051 174.717 174.700 -0.057 0.000 1.292 69 T CA -0.416 61.632 62.100 -0.088 0.000 1.598 69 T CB -0.279 68.542 68.868 -0.080 0.000 0.861 69 T HN 0.412 nan 8.240 nan 0.000 0.663 70 S N 1.387 117.055 115.700 -0.053 0.000 2.655 70 S HA 0.366 4.838 4.470 0.004 0.000 0.231 70 S C 0.255 174.837 174.600 -0.030 0.000 1.044 70 S CA -0.271 57.908 58.200 -0.035 0.000 0.910 70 S CB 0.053 63.236 63.200 -0.029 0.000 0.833 70 S HN 0.507 nan 8.310 nan 0.000 0.581 71 L N 3.796 125.000 121.223 -0.032 0.000 2.305 71 L HA 0.393 4.736 4.340 0.004 0.000 0.281 71 L C -2.075 174.781 176.870 -0.024 0.000 1.085 71 L CA -1.767 53.059 54.840 -0.023 0.000 0.813 71 L CB 0.607 42.655 42.059 -0.018 0.000 1.157 71 L HN -0.052 nan 8.230 nan 0.000 0.436 72 P HA -0.056 nan 4.420 nan 0.000 0.216 72 P C 0.111 177.404 177.300 -0.012 0.000 1.153 72 P CA 0.945 64.037 63.100 -0.015 0.000 0.848 72 P CB 0.033 31.728 31.700 -0.009 0.000 0.787 73 T N 1.728 116.278 114.554 -0.006 0.000 3.738 73 T HA 0.191 4.543 4.350 0.004 0.000 0.231 73 T C 0.018 174.716 174.700 -0.004 0.000 0.967 73 T CA 0.660 62.761 62.100 0.001 0.000 1.227 73 T CB -1.137 67.737 68.868 0.010 0.000 1.136 73 T HN -0.098 nan 8.240 nan 0.000 0.807 74 L N 2.187 123.405 121.223 -0.009 0.000 2.811 74 L HA 0.562 4.904 4.340 0.004 0.000 0.251 74 L C -0.063 176.798 176.870 -0.015 0.000 0.971 74 L CA -0.054 54.776 54.840 -0.017 0.000 0.990 74 L CB 0.519 42.554 42.059 -0.038 0.000 1.320 74 L HN 0.475 nan 8.230 nan 0.000 0.473 75 G N 2.132 110.931 108.800 -0.002 0.000 3.286 75 G HA2 0.617 4.579 3.960 0.004 0.000 0.166 75 G HA3 0.617 4.579 3.960 0.004 0.000 0.166 75 G C 0.380 175.286 174.900 0.010 0.000 1.155 75 G CA -0.175 44.926 45.100 0.003 0.000 0.871 75 G HN 1.541 nan 8.290 nan 0.000 0.637 76 A N -1.200 121.632 122.820 0.020 0.000 2.511 76 A HA 0.284 4.606 4.320 0.004 0.000 0.297 76 A C 1.907 179.508 177.584 0.028 0.000 1.476 76 A CA 1.718 53.772 52.037 0.028 0.000 0.757 76 A CB -1.713 17.309 19.000 0.036 0.000 1.072 76 A HN 2.847 nan 8.150 nan 0.000 0.413 77 G N -1.211 107.603 108.800 0.023 0.000 2.361 77 G HA2 -0.259 3.703 3.960 0.004 0.000 0.294 77 G HA3 -0.259 3.703 3.960 0.004 0.000 0.294 77 G C -0.026 174.884 174.900 0.017 0.000 1.004 77 G CA 1.130 46.246 45.100 0.026 0.000 0.870 77 G HN 1.133 nan 8.290 nan 0.000 0.510 78 E N -0.426 119.773 120.200 -0.002 0.000 2.283 78 E HA 0.656 5.008 4.350 0.004 0.000 0.267 78 E C -0.142 176.411 176.600 -0.078 0.000 1.045 78 E CA -0.389 55.997 56.400 -0.023 0.000 0.884 78 E CB 1.272 30.962 29.700 -0.015 0.000 1.106 78 E HN 0.155 nan 8.360 nan 0.000 0.408 79 S N 0.464 116.086 115.700 -0.130 0.000 2.547 79 S HA 0.586 5.058 4.470 0.004 0.000 0.281 79 S C -1.153 173.241 174.600 -0.344 0.000 1.118 79 S CA -0.791 57.245 58.200 -0.273 0.000 0.947 79 S CB 1.793 64.783 63.200 -0.350 0.000 1.053 79 S HN 0.581 nan 8.310 nan 0.000 0.482 80 A N 2.418 124.985 122.820 -0.421 0.000 2.312 80 A HA 0.880 5.202 4.320 0.004 0.000 0.326 80 A C -1.205 176.047 177.584 -0.553 0.000 1.172 80 A CA -0.355 51.486 52.037 -0.327 0.000 0.821 80 A CB 0.183 19.064 19.000 -0.198 0.000 1.166 80 A HN 0.627 nan 8.150 nan 0.000 0.493 81 F N 1.492 121.355 119.950 -0.145 0.000 2.540 81 F HA 0.355 4.884 4.527 0.004 0.000 0.317 81 F C 0.269 175.999 175.800 -0.116 0.000 1.104 81 F CA -0.744 57.180 58.000 -0.128 0.000 0.913 81 F CB 2.067 40.969 39.000 -0.162 0.000 1.170 81 F HN 0.505 nan 8.300 nan 0.000 0.450 82 N N 3.246 122.000 118.700 0.090 0.000 2.530 82 N HA 0.596 5.338 4.740 0.004 0.000 0.277 82 N C -1.077 174.428 175.510 -0.008 0.000 1.168 82 N CA -0.153 52.906 53.050 0.015 0.000 0.979 82 N CB 2.139 40.654 38.487 0.047 0.000 1.141 82 N HN 0.710 nan 8.380 nan 0.000 0.459 83 I N 0.619 121.109 120.570 -0.134 0.000 2.753 83 I HA 0.210 4.382 4.170 0.004 0.000 0.291 83 I C -1.703 174.162 176.117 -0.420 0.000 1.425 83 I CA -0.570 60.588 61.300 -0.235 0.000 1.039 83 I CB 1.532 39.313 38.000 -0.365 0.000 1.349 83 I HN 0.503 nan 8.210 nan 0.000 0.430 84 H N 6.284 125.153 119.070 -0.335 0.000 2.529 84 H HA 0.567 5.125 4.556 0.004 0.000 0.348 84 H C -1.436 173.705 175.328 -0.313 0.000 1.079 84 H CA -0.162 55.765 56.048 -0.202 0.000 1.198 84 H CB 1.550 31.274 29.762 -0.062 0.000 1.521 84 H HN 0.269 nan 8.280 nan 0.000 0.514 85 F N 0.568 120.570 119.950 0.087 0.000 2.443 85 F HA 0.199 4.729 4.527 0.004 0.000 0.335 85 F C 0.838 176.747 175.800 0.182 0.000 1.104 85 F CA -0.856 57.204 58.000 0.100 0.000 1.013 85 F CB 1.259 40.273 39.000 0.023 0.000 1.136 85 F HN 0.496 nan 8.300 nan 0.000 0.470 86 E N 4.258 124.677 120.200 0.365 0.000 1.932 86 E HA -0.010 4.343 4.350 0.004 0.000 0.275 86 E C -1.441 175.393 176.600 0.391 0.000 1.159 86 E CA -0.109 56.463 56.400 0.288 0.000 0.905 86 E CB 0.386 30.199 29.700 0.189 0.000 1.059 86 E HN 0.652 nan 8.360 nan 0.000 0.400 87 W N 5.582 126.952 121.300 0.117 0.000 2.631 87 W HA 0.187 4.849 4.660 0.004 0.000 0.321 87 W C -1.171 175.386 176.519 0.064 0.000 1.004 87 W CA -0.856 56.539 57.345 0.084 0.000 1.291 87 W CB 1.146 30.649 29.460 0.072 0.000 1.300 87 W HN 0.513 nan 8.180 nan 0.000 0.422 88 D N 1.596 121.933 120.400 -0.106 0.000 2.313 88 D HA 0.336 4.978 4.640 0.004 0.000 0.247 88 D C 1.748 177.998 176.300 -0.084 0.000 1.094 88 D CA 0.601 54.566 54.000 -0.060 0.000 0.925 88 D CB 1.697 42.442 40.800 -0.092 0.000 1.188 88 D HN 0.471 nan 8.370 nan 0.000 0.430 89 G N 0.683 109.493 108.800 0.016 0.000 2.499 89 G HA2 -0.285 3.677 3.960 0.004 0.000 0.221 89 G HA3 -0.285 3.677 3.960 0.004 0.000 0.221 89 G C 1.396 176.287 174.900 -0.015 0.000 1.109 89 G CA 1.196 46.322 45.100 0.044 0.000 0.749 89 G HN 0.539 nan 8.290 nan 0.000 0.568 90 S N -0.156 115.497 115.700 -0.078 0.000 2.474 90 S HA 0.063 4.536 4.470 0.004 0.000 0.235 90 S C 2.074 176.578 174.600 -0.161 0.000 0.997 90 S CA 0.770 58.913 58.200 -0.094 0.000 0.949 90 S CB -0.145 62.999 63.200 -0.094 0.000 0.766 90 S HN 0.163 nan 8.310 nan 0.000 0.517 91 M N 1.571 120.970 119.600 -0.335 0.000 2.618 91 M HA 0.243 4.725 4.480 0.004 0.000 0.240 91 M C 1.569 177.814 176.300 -0.092 0.000 1.123 91 M CA 0.771 55.748 55.300 -0.539 0.000 1.060 91 M CB -1.449 30.145 32.600 -1.676 0.000 1.535 91 M HN 0.636 nan 8.290 nan 0.000 0.507 92 G N 1.343 110.195 108.800 0.086 0.000 2.527 92 G HA2 -0.229 3.733 3.960 0.004 0.000 0.227 92 G HA3 -0.229 3.733 3.960 0.004 0.000 0.227 92 G C -0.378 174.773 174.900 0.419 0.000 1.291 92 G CA -0.709 44.528 45.100 0.228 0.000 0.904 92 G HN 0.355 nan 8.290 nan 0.000 0.577 93 I N 3.008 123.756 120.570 0.297 0.000 2.362 93 I HA 0.366 4.538 4.170 0.004 0.000 0.289 93 I C -1.877 174.336 176.117 0.160 0.000 0.994 93 I CA -2.052 59.374 61.300 0.211 0.000 1.158 93 I CB 2.202 40.272 38.000 0.116 0.000 1.315 93 I HN 0.321 nan 8.210 nan 0.000 0.451 94 P HA 0.078 nan 4.420 nan 0.000 0.268 94 P C 0.374 177.698 177.300 0.040 0.000 1.204 94 P CA 0.077 63.084 63.100 -0.155 0.000 0.768 94 P CB 1.208 32.570 31.700 -0.564 0.000 0.842 95 G N 1.037 109.898 108.800 0.102 0.000 3.342 95 G HA2 0.529 4.491 3.960 0.004 0.000 0.252 95 G HA3 0.529 4.491 3.960 0.004 0.000 0.252 95 G C 0.008 175.042 174.900 0.223 0.000 1.011 95 G CA 0.402 45.603 45.100 0.170 0.000 0.869 95 G HN 0.843 nan 8.290 nan 0.000 0.514 96 A N -0.286 122.644 122.820 0.183 0.000 2.540 96 A HA 0.814 5.136 4.320 0.004 0.000 0.291 96 A C -1.812 175.702 177.584 -0.117 0.000 1.083 96 A CA -0.693 51.346 52.037 0.002 0.000 0.650 96 A CB 0.848 19.525 19.000 -0.537 0.000 1.292 96 A HN 1.250 nan 8.150 nan 0.000 0.435 97 F N -1.950 117.722 119.950 -0.463 0.000 2.678 97 F HA 0.804 5.333 4.527 0.004 0.000 0.308 97 F C -1.995 173.566 175.800 -0.399 0.000 1.118 97 F CA -1.132 56.584 58.000 -0.474 0.000 0.959 97 F CB 0.629 39.317 39.000 -0.519 0.000 1.305 97 F HN 0.545 nan 8.300 nan 0.000 0.443 98 Y N 3.097 123.391 120.300 -0.011 0.000 2.376 98 Y HA 0.758 5.310 4.550 0.004 0.000 0.325 98 Y C -0.200 175.800 175.900 0.167 0.000 1.199 98 Y CA -1.442 56.620 58.100 -0.064 0.000 1.206 98 Y CB 1.789 40.207 38.460 -0.070 0.000 1.229 98 Y HN 0.829 nan 8.280 nan 0.000 0.480 99 I N 2.232 122.980 120.570 0.298 0.000 2.692 99 I HA 0.404 4.576 4.170 0.004 0.000 0.293 99 I C -1.747 174.444 176.117 0.123 0.000 1.200 99 I CA -0.726 60.738 61.300 0.273 0.000 1.036 99 I CB 1.614 39.877 38.000 0.439 0.000 1.258 99 I HN 0.559 nan 8.210 nan 0.000 0.421 100 K N 4.782 125.201 120.400 0.032 0.000 2.397 100 K HA 0.357 4.679 4.320 0.004 0.000 0.253 100 K C -1.103 175.397 176.600 -0.166 0.000 0.932 100 K CA -0.848 55.358 56.287 -0.136 0.000 0.795 100 K CB 1.760 34.054 32.500 -0.343 0.000 1.159 100 K HN 0.412 nan 8.250 nan 0.000 0.424 101 N N 2.439 121.076 118.700 -0.105 0.000 2.457 101 N HA 0.129 4.871 4.740 0.004 0.000 0.250 101 N C -0.574 174.887 175.510 -0.081 0.000 0.982 101 N CA -0.158 52.924 53.050 0.054 0.000 0.941 101 N CB 0.464 39.003 38.487 0.087 0.000 1.120 101 N HN 0.488 nan 8.380 nan 0.000 0.505 102 Y N 1.921 122.336 120.300 0.191 0.000 2.482 102 Y HA 0.286 4.839 4.550 0.004 0.000 0.270 102 Y C 0.832 176.785 175.900 0.088 0.000 1.152 102 Y CA 0.058 58.236 58.100 0.129 0.000 1.292 102 Y CB -0.002 38.544 38.460 0.144 0.000 1.070 102 Y HN 0.399 nan 8.280 nan 0.000 0.528 103 M N 0.022 119.749 119.600 0.212 0.000 2.202 103 M HA 0.029 4.511 4.480 0.004 0.000 0.316 103 M C 1.318 177.665 176.300 0.078 0.000 1.138 103 M CA -0.061 55.309 55.300 0.116 0.000 1.151 103 M CB 0.664 33.313 32.600 0.082 0.000 1.422 103 M HN 0.038 nan 8.290 nan 0.000 0.471 104 Q N 0.474 120.297 119.800 0.039 0.000 2.123 104 Q HA 0.077 4.419 4.340 0.004 0.000 0.199 104 Q C 0.174 176.178 176.000 0.008 0.000 0.966 104 Q CA 0.911 56.727 55.803 0.021 0.000 0.845 104 Q CB -0.217 28.528 28.738 0.011 0.000 0.907 104 Q HN 0.549 nan 8.270 nan 0.000 0.439 105 V N 3.627 123.551 119.914 0.017 0.000 2.509 105 V HA 0.067 4.189 4.120 0.004 0.000 0.284 105 V C 0.540 176.653 176.094 0.031 0.000 1.047 105 V CA -0.811 61.495 62.300 0.010 0.000 0.952 105 V CB 1.411 33.259 31.823 0.041 0.000 0.988 105 V HN 0.248 nan 8.190 nan 0.000 0.469 106 E N 4.514 124.643 120.200 -0.120 0.000 2.392 106 E HA 0.281 4.633 4.350 0.004 0.000 0.259 106 E C -0.942 175.807 176.600 0.248 0.000 1.108 106 E CA -0.184 56.105 56.400 -0.185 0.000 0.916 106 E CB 1.213 30.412 29.700 -0.835 0.000 0.989 106 E HN 0.510 nan 8.360 nan 0.000 0.432 107 F N -0.850 119.308 119.950 0.346 0.000 2.629 107 F HA 0.636 5.165 4.527 0.004 0.000 0.316 107 F C -1.366 174.538 175.800 0.173 0.000 1.081 107 F CA -2.066 56.146 58.000 0.353 0.000 0.954 107 F CB 0.928 40.116 39.000 0.313 0.000 1.337 107 F HN 0.282 nan 8.300 nan 0.000 0.474 108 F N 3.611 123.500 119.950 -0.102 0.000 2.371 108 F HA 0.571 5.100 4.527 0.004 0.000 0.363 108 F C -0.788 174.951 175.800 -0.102 0.000 1.122 108 F CA -1.301 56.342 58.000 -0.594 0.000 1.129 108 F CB 1.043 39.350 39.000 -1.154 0.000 1.173 108 F HN 0.599 nan 8.300 nan 0.000 0.489 109 L N 7.807 128.754 121.223 -0.460 0.000 2.313 109 L HA 0.300 4.642 4.340 0.004 0.000 0.282 109 L C 0.711 177.185 176.870 -0.661 0.000 1.092 109 L CA 0.264 54.899 54.840 -0.342 0.000 0.831 109 L CB 0.513 42.440 42.059 -0.219 0.000 1.159 109 L HN 0.579 nan 8.230 nan 0.000 0.442 110 K N 2.430 122.600 120.400 -0.382 0.000 2.063 110 K HA 0.268 4.590 4.320 0.004 0.000 0.204 110 K C 0.331 176.819 176.600 -0.186 0.000 1.039 110 K CA 1.035 57.156 56.287 -0.278 0.000 0.957 110 K CB -0.015 32.425 32.500 -0.100 0.000 0.764 110 K HN 0.805 nan 8.250 nan 0.000 0.447 111 S N -0.605 115.011 115.700 -0.139 0.000 2.636 111 S HA 0.546 5.018 4.470 0.004 0.000 0.266 111 S C -1.756 172.784 174.600 -0.101 0.000 1.147 111 S CA -1.102 57.054 58.200 -0.073 0.000 0.815 111 S CB 1.228 64.424 63.200 -0.007 0.000 1.119 111 S HN 0.024 nan 8.310 nan 0.000 0.470 112 L N 0.706 121.891 121.223 -0.064 0.000 2.431 112 L HA 0.859 5.201 4.340 0.004 0.000 0.266 112 L C -1.223 175.645 176.870 -0.003 0.000 0.978 112 L CA 0.207 54.922 54.840 -0.207 0.000 0.822 112 L CB 2.076 43.713 42.059 -0.704 0.000 1.310 112 L HN 0.975 nan 8.230 nan 0.000 0.409 113 T N 5.962 120.484 114.554 -0.052 0.000 2.881 113 T HA 0.574 4.926 4.350 0.004 0.000 0.291 113 T C -0.681 173.996 174.700 -0.039 0.000 0.990 113 T CA -0.310 61.786 62.100 -0.005 0.000 0.976 113 T CB 1.018 69.860 68.868 -0.044 0.000 0.970 113 T HN 0.465 nan 8.240 nan 0.000 0.438 114 L N 3.415 124.634 121.223 -0.007 0.000 2.272 114 L HA 0.471 4.814 4.340 0.004 0.000 0.289 114 L C 0.279 177.124 176.870 -0.041 0.000 1.032 114 L CA -0.764 54.048 54.840 -0.047 0.000 0.810 114 L CB 1.183 43.203 42.059 -0.067 0.000 1.205 114 L HN 0.590 nan 8.230 nan 0.000 0.422 115 E N 3.455 123.631 120.200 -0.041 0.000 2.167 115 E HA 0.618 4.970 4.350 0.004 0.000 0.284 115 E C 0.231 176.824 176.600 -0.011 0.000 1.016 115 E CA -0.285 56.097 56.400 -0.030 0.000 0.817 115 E CB 1.575 31.258 29.700 -0.029 0.000 1.080 115 E HN 0.742 nan 8.360 nan 0.000 0.397 122 T N 1.573 116.106 114.554 -0.036 0.000 2.923 122 T HA 0.357 4.709 4.350 0.004 0.000 0.304 122 T C 0.103 174.753 174.700 -0.083 0.000 1.044 122 T CA 0.847 62.911 62.100 -0.060 0.000 1.141 122 T CB 0.186 69.003 68.868 -0.085 0.000 1.023 122 T HN 0.348 nan 8.240 nan 0.000 0.533 123 I N 3.473 123.990 120.570 -0.088 0.000 2.389 123 I HA 0.391 4.564 4.170 0.004 0.000 0.288 123 I C 0.405 176.412 176.117 -0.184 0.000 0.999 123 I CA -0.747 60.460 61.300 -0.155 0.000 1.129 123 I CB 1.460 39.403 38.000 -0.095 0.000 1.288 123 I HN 0.406 nan 8.210 nan 0.000 0.444 124 R N 5.484 125.771 120.500 -0.354 0.000 2.589 124 R HA 0.673 5.015 4.340 0.004 0.000 0.293 124 R C -1.563 174.496 176.300 -0.403 0.000 0.963 124 R CA -0.643 55.302 56.100 -0.258 0.000 0.905 124 R CB 1.894 32.016 30.300 -0.296 0.000 1.144 124 R HN 0.319 nan 8.270 nan 0.000 0.459 125 F N 1.740 121.642 119.950 -0.080 0.000 2.499 125 F HA 0.260 4.790 4.527 0.004 0.000 0.333 125 F C -0.042 175.761 175.800 0.005 0.000 1.138 125 F CA -1.153 56.851 58.000 0.006 0.000 0.945 125 F CB 1.902 40.985 39.000 0.139 0.000 1.181 125 F HN 0.151 nan 8.300 nan 0.000 0.435 126 V N 0.078 120.090 119.914 0.163 0.000 2.333 126 V HA 0.356 4.479 4.120 0.004 0.000 0.274 126 V C -0.162 175.996 176.094 0.106 0.000 1.028 126 V CA -0.574 61.797 62.300 0.119 0.000 0.851 126 V CB 0.237 32.141 31.823 0.134 0.000 1.000 126 V HN 0.995 nan 8.190 nan 0.000 0.456 127 C N 2.681 121.965 119.300 -0.027 0.000 2.519 127 C HA 0.236 4.699 4.460 0.004 0.000 0.297 127 C C 1.200 176.120 174.990 -0.116 0.000 1.414 127 C CA 0.076 58.994 59.018 -0.168 0.000 1.893 127 C CB -0.968 26.354 27.740 -0.697 0.000 2.134 127 C HN 0.995 nan 8.230 nan 0.000 0.580 128 N N 1.779 120.304 118.700 -0.292 0.000 2.669 128 N HA -0.161 4.581 4.740 0.004 0.000 0.266 128 N C -0.458 174.863 175.510 -0.315 0.000 1.024 128 N CA 1.291 54.115 53.050 -0.376 0.000 0.766 128 N CB -0.726 37.817 38.487 0.093 0.000 0.898 128 N HN 0.660 nan 8.380 nan 0.000 0.548 129 S N -0.610 114.691 115.700 -0.665 0.000 2.536 129 S HA 0.533 5.005 4.470 0.004 0.000 0.271 129 S C -0.994 173.550 174.600 -0.095 0.000 1.134 129 S CA -0.815 57.347 58.200 -0.064 0.000 0.897 129 S CB 0.791 64.182 63.200 0.317 0.000 1.094 129 S HN 0.305 nan 8.310 nan 0.000 0.473 130 W N 2.786 124.300 121.300 0.357 0.000 2.238 130 W HA 0.492 5.154 4.660 0.004 0.000 0.321 130 W C -0.301 176.370 176.519 0.252 0.000 1.293 130 W CA -0.348 57.203 57.345 0.344 0.000 1.204 130 W CB 0.864 30.598 29.460 0.455 0.000 1.167 130 W HN 0.361 nan 8.180 nan 0.000 0.553 131 V N 5.554 125.581 119.914 0.187 0.000 2.326 131 V HA 0.205 4.327 4.120 0.004 0.000 0.281 131 V C -0.355 175.736 176.094 -0.006 0.000 1.015 131 V CA -1.182 61.166 62.300 0.079 0.000 0.823 131 V CB -0.307 31.320 31.823 -0.327 0.000 1.009 131 V HN 0.346 nan 8.190 nan 0.000 0.436 132 Y N 2.119 122.495 120.300 0.128 0.000 2.289 132 Y HA 0.227 4.779 4.550 0.004 0.000 0.332 132 Y C 1.284 177.079 175.900 -0.175 0.000 1.324 132 Y CA -0.576 57.458 58.100 -0.111 0.000 1.478 132 Y CB 0.434 38.696 38.460 -0.329 0.000 1.378 132 Y HN 0.598 nan 8.280 nan 0.000 0.558 133 N N 0.368 119.030 118.700 -0.063 0.000 2.412 133 N HA -0.139 4.603 4.740 0.004 0.000 0.254 133 N C 1.110 176.536 175.510 -0.140 0.000 1.232 133 N CA 0.684 53.688 53.050 -0.077 0.000 0.880 133 N CB 1.069 39.518 38.487 -0.064 0.000 1.076 133 N HN 0.831 nan 8.380 nan 0.000 0.458 134 T N 3.236 117.749 114.554 -0.068 0.000 2.822 134 T HA -0.133 4.219 4.350 0.004 0.000 0.270 134 T C 1.429 176.108 174.700 -0.035 0.000 1.064 134 T CA 1.502 63.589 62.100 -0.022 0.000 1.131 134 T CB 0.013 68.794 68.868 -0.145 0.000 0.858 134 T HN 0.581 nan 8.240 nan 0.000 0.483 135 K N 0.142 120.500 120.400 -0.070 0.000 2.439 135 K HA 0.127 4.450 4.320 0.004 0.000 0.197 135 K C 1.825 178.329 176.600 -0.160 0.000 1.041 135 K CA 0.613 56.858 56.287 -0.070 0.000 0.970 135 K CB -0.045 32.429 32.500 -0.043 0.000 0.773 135 K HN 0.406 nan 8.250 nan 0.000 0.479 136 L N 0.013 121.032 121.223 -0.341 0.000 2.558 136 L HA 0.044 4.386 4.340 0.004 0.000 0.225 136 L C -0.000 176.591 176.870 -0.466 0.000 1.128 136 L CA 0.042 54.527 54.840 -0.592 0.000 0.868 136 L CB 0.033 41.414 42.059 -1.129 0.000 1.006 136 L HN 0.028 nan 8.230 nan 0.000 0.454 137 Y N -0.235 119.982 120.300 -0.138 0.000 2.342 137 Y HA 0.169 4.721 4.550 0.004 0.000 0.334 137 Y C 1.191 177.067 175.900 -0.041 0.000 1.067 137 Y CA -1.108 56.953 58.100 -0.065 0.000 1.128 137 Y CB 1.277 39.706 38.460 -0.051 0.000 1.200 137 Y HN -0.174 nan 8.280 nan 0.000 0.464 138 K N 1.175 121.676 120.400 0.168 0.000 2.103 138 K HA -0.005 4.318 4.320 0.004 0.000 0.204 138 K C -0.014 176.615 176.600 0.049 0.000 1.052 138 K CA 1.083 57.418 56.287 0.081 0.000 0.945 138 K CB 0.177 32.717 32.500 0.066 0.000 0.722 138 K HN 0.666 nan 8.250 nan 0.000 0.443 139 S N -0.365 115.358 115.700 0.037 0.000 2.548 139 S HA 0.384 4.856 4.470 0.004 0.000 0.286 139 S C -0.399 174.146 174.600 -0.090 0.000 1.098 139 S CA -1.155 57.030 58.200 -0.026 0.000 0.930 139 S CB 1.982 65.172 63.200 -0.017 0.000 1.070 139 S HN -0.086 nan 8.310 nan 0.000 0.480 140 V N 3.587 123.416 119.914 -0.141 0.000 2.673 140 V HA 0.202 4.324 4.120 0.004 0.000 0.303 140 V C 0.853 176.843 176.094 -0.175 0.000 1.046 140 V CA -0.323 61.867 62.300 -0.183 0.000 1.126 140 V CB -0.306 31.313 31.823 -0.340 0.000 0.934 140 V HN 0.790 nan 8.190 nan 0.000 0.487 141 R N 3.763 124.097 120.500 -0.277 0.000 2.522 141 R HA 0.343 4.686 4.340 0.004 0.000 0.284 141 R C -0.310 175.788 176.300 -0.337 0.000 1.032 141 R CA 0.102 55.964 56.100 -0.396 0.000 1.049 141 R CB 0.039 30.129 30.300 -0.350 0.000 0.956 141 R HN 0.747 nan 8.270 nan 0.000 0.422 142 I N 2.952 123.137 120.570 -0.641 0.000 2.608 142 I HA 0.472 4.644 4.170 0.004 0.000 0.295 142 I C -1.324 174.052 176.117 -1.234 0.000 1.049 142 I CA -0.907 59.910 61.300 -0.804 0.000 1.063 142 I CB 1.163 38.755 38.000 -0.681 0.000 1.248 142 I HN 0.317 nan 8.210 nan 0.000 0.424 143 F N 6.036 125.394 119.950 -0.986 0.000 2.565 143 F HA 0.532 5.061 4.527 0.004 0.000 0.313 143 F C -0.728 174.684 175.800 -0.647 0.000 1.091 143 F CA -0.456 57.087 58.000 -0.762 0.000 0.915 143 F CB 1.776 40.217 39.000 -0.933 0.000 1.208 143 F HN 0.170 nan 8.300 nan 0.000 0.453 144 F N 1.260 121.249 119.950 0.064 0.000 2.440 144 F HA 0.739 5.268 4.527 0.004 0.000 0.328 144 F C 0.622 176.470 175.800 0.081 0.000 1.070 144 F CA -1.015 57.038 58.000 0.088 0.000 1.011 144 F CB 0.981 39.979 39.000 -0.003 0.000 1.226 144 F HN 0.566 nan 8.300 nan 0.000 0.491 145 A N 1.200 124.005 122.820 -0.024 0.000 2.346 145 A HA 0.163 4.485 4.320 0.004 0.000 0.252 145 A C 0.837 178.170 177.584 -0.418 0.000 1.089 145 A CA -0.407 51.184 52.037 -0.744 0.000 0.797 145 A CB -0.051 18.417 19.000 -0.887 0.000 1.047 145 A HN 0.832 nan 8.150 nan 0.000 0.494 146 N N 0.730 119.094 118.700 -0.559 0.000 2.523 146 N HA -0.054 4.688 4.740 0.004 0.000 0.208 146 N C -0.191 175.067 175.510 -0.421 0.000 1.313 146 N CA 0.205 53.032 53.050 -0.372 0.000 0.853 146 N CB -0.555 37.765 38.487 -0.278 0.000 1.090 146 N HN 0.572 nan 8.380 nan 0.000 0.463 147 H N -0.058 118.852 119.070 -0.265 0.000 2.562 147 H HA 0.270 4.829 4.556 0.004 0.000 0.352 147 H C -0.017 174.929 175.328 -0.637 0.000 1.125 147 H CA -0.016 55.762 56.048 -0.450 0.000 1.379 147 H CB 0.966 30.437 29.762 -0.485 0.000 1.464 147 H HN 0.011 nan 8.280 nan 0.000 0.563 148 T N 3.823 118.034 114.554 -0.571 0.000 2.771 148 T HA 0.437 4.790 4.350 0.004 0.000 0.281 148 T C -0.767 173.532 174.700 -0.668 0.000 0.982 148 T CA -0.518 61.276 62.100 -0.511 0.000 0.978 148 T CB 0.120 68.804 68.868 -0.307 0.000 0.930 148 T HN 0.331 nan 8.240 nan 0.000 0.447 149 Y N 1.064 121.258 120.300 -0.177 0.000 2.433 149 Y HA 0.477 5.030 4.550 0.004 0.000 0.337 149 Y C 0.178 175.888 175.900 -0.316 0.000 1.026 149 Y CA -1.569 56.415 58.100 -0.193 0.000 1.037 149 Y CB 0.931 39.307 38.460 -0.139 0.000 1.245 149 Y HN 0.556 nan 8.280 nan 0.000 0.443 150 V N 0.610 120.410 119.914 -0.189 0.000 3.133 150 V HA 0.346 4.468 4.120 0.004 0.000 0.305 150 V C -2.137 173.879 176.094 -0.130 0.000 1.084 150 V CA -1.709 60.382 62.300 -0.348 0.000 1.089 150 V CB 1.029 32.630 31.823 -0.371 0.000 1.073 150 V HN 0.557 nan 8.190 nan 0.000 0.477 151 P HA -0.184 nan 4.420 nan 0.000 0.216 151 P C 1.952 179.235 177.300 -0.029 0.000 1.157 151 P CA 2.505 65.602 63.100 -0.004 0.000 0.880 151 P CB -0.092 31.647 31.700 0.066 0.000 0.791 152 S N -1.586 114.097 115.700 -0.029 0.000 2.507 152 S HA -0.078 4.394 4.470 0.004 0.000 0.235 152 S C 1.456 176.017 174.600 -0.064 0.000 0.988 152 S CA 0.874 59.052 58.200 -0.037 0.000 0.944 152 S CB -0.740 62.446 63.200 -0.024 0.000 0.762 152 S HN 0.103 nan 8.310 nan 0.000 0.526 153 E N 1.305 121.460 120.200 -0.076 0.000 2.498 153 E HA 0.155 4.507 4.350 0.004 0.000 0.203 153 E C -0.253 176.195 176.600 -0.254 0.000 1.013 153 E CA 0.077 56.423 56.400 -0.091 0.000 0.927 153 E CB 0.407 30.113 29.700 0.009 0.000 1.012 153 E HN 0.448 nan 8.360 nan 0.000 0.482 154 T N 3.754 118.156 114.554 -0.253 0.000 2.888 154 T HA 0.144 4.497 4.350 0.004 0.000 0.301 154 T C -2.347 172.123 174.700 -0.385 0.000 1.001 154 T CA -0.928 60.923 62.100 -0.414 0.000 1.147 154 T CB 0.659 69.410 68.868 -0.195 0.000 0.931 154 T HN -0.089 nan 8.240 nan 0.000 0.541 155 P HA 0.133 nan 4.420 nan 0.000 0.265 155 P C 0.623 177.844 177.300 -0.133 0.000 1.193 155 P CA -0.145 62.794 63.100 -0.268 0.000 0.765 155 P CB 0.390 31.954 31.700 -0.227 0.000 0.823 156 A N 6.321 129.088 122.820 -0.088 0.000 1.927 156 A HA -0.166 4.157 4.320 0.004 0.000 0.220 156 A C -0.439 177.132 177.584 -0.022 0.000 1.185 156 A CA 1.946 53.952 52.037 -0.051 0.000 0.639 156 A CB -2.400 16.577 19.000 -0.039 0.000 0.820 156 A HN 0.512 nan 8.150 nan 0.000 0.451 157 P HA -0.006 nan 4.420 nan 0.000 0.230 157 P C 0.800 178.176 177.300 0.127 0.000 1.158 157 P CA 0.720 63.857 63.100 0.061 0.000 0.769 157 P CB 0.032 31.794 31.700 0.104 0.000 0.807 158 L N -2.702 118.598 121.223 0.128 0.000 2.693 158 L HA 0.085 4.428 4.340 0.004 0.000 0.235 158 L C 1.890 178.853 176.870 0.154 0.000 1.127 158 L CA 0.003 55.007 54.840 0.273 0.000 0.914 158 L CB -0.186 42.036 42.059 0.272 0.000 1.193 158 L HN -0.206 nan 8.230 nan 0.000 0.502 159 V N -0.349 119.579 119.914 0.023 0.000 2.287 159 V HA -0.325 3.798 4.120 0.004 0.000 0.248 159 V C 2.638 178.728 176.094 -0.007 0.000 1.053 159 V CA 2.392 64.686 62.300 -0.010 0.000 1.027 159 V CB -0.288 31.514 31.823 -0.035 0.000 0.646 159 V HN 0.454 nan 8.190 nan 0.000 0.447 160 S N -1.623 114.034 115.700 -0.072 0.000 2.368 160 S HA -0.165 4.308 4.470 0.004 0.000 0.224 160 S C 1.950 176.540 174.600 -0.018 0.000 1.029 160 S CA 1.348 59.491 58.200 -0.096 0.000 0.988 160 S CB -0.346 62.733 63.200 -0.202 0.000 0.838 160 S HN 0.611 nan 8.310 nan 0.000 0.462 161 Y N 1.771 122.128 120.300 0.095 0.000 2.224 161 Y HA -0.009 4.543 4.550 0.004 0.000 0.289 161 Y C 2.560 178.581 175.900 0.201 0.000 1.146 161 Y CA 1.348 59.530 58.100 0.137 0.000 1.182 161 Y CB -0.682 37.867 38.460 0.147 0.000 0.983 161 Y HN 0.238 nan 8.280 nan 0.000 0.524 162 R N 0.398 121.081 120.500 0.305 0.000 2.073 162 R HA -0.220 4.122 4.340 0.004 0.000 0.234 162 R C 2.165 178.499 176.300 0.058 0.000 1.134 162 R CA 1.916 58.073 56.100 0.096 0.000 0.952 162 R CB -0.184 30.085 30.300 -0.051 0.000 0.850 162 R HN 0.209 nan 8.270 nan 0.000 0.433 163 E N 0.544 120.774 120.200 0.050 0.000 2.107 163 E HA -0.157 4.195 4.350 0.004 0.000 0.191 163 E C 1.675 178.298 176.600 0.039 0.000 0.982 163 E CA 1.398 57.814 56.400 0.025 0.000 0.809 163 E CB 0.007 29.713 29.700 0.010 0.000 0.756 163 E HN 0.300 nan 8.360 nan 0.000 0.459 164 E N 0.425 120.667 120.200 0.071 0.000 2.110 164 E HA -0.203 4.150 4.350 0.004 0.000 0.193 164 E C 1.966 178.609 176.600 0.072 0.000 0.988 164 E CA 1.359 57.803 56.400 0.074 0.000 0.804 164 E CB -0.288 29.478 29.700 0.110 0.000 0.745 164 E HN 0.351 nan 8.360 nan 0.000 0.458 165 E N 0.976 121.235 120.200 0.098 0.000 2.072 165 E HA -0.098 4.254 4.350 0.004 0.000 0.191 165 E C 2.154 178.775 176.600 0.035 0.000 0.985 165 E CA 0.712 57.155 56.400 0.072 0.000 0.801 165 E CB -0.292 29.485 29.700 0.127 0.000 0.750 165 E HN 0.194 nan 8.360 nan 0.000 0.452 166 L N 0.349 121.582 121.223 0.015 0.000 2.046 166 L HA -0.143 4.199 4.340 0.004 0.000 0.208 166 L C 2.697 179.552 176.870 -0.024 0.000 1.077 166 L CA 1.569 56.397 54.840 -0.021 0.000 0.747 166 L CB -0.461 41.571 42.059 -0.045 0.000 0.896 166 L HN 0.152 nan 8.230 nan 0.000 0.432 167 K N -0.354 120.042 120.400 -0.007 0.000 2.097 167 K HA -0.214 4.108 4.320 0.004 0.000 0.206 167 K C 2.393 179.001 176.600 0.014 0.000 1.049 167 K CA 1.638 57.923 56.287 -0.002 0.000 0.933 167 K CB -0.058 32.447 32.500 0.009 0.000 0.717 167 K HN 0.120 nan 8.250 nan 0.000 0.442 168 S N 0.655 116.371 115.700 0.025 0.000 2.368 168 S HA -0.082 4.391 4.470 0.004 0.000 0.225 168 S C 1.895 176.528 174.600 0.056 0.000 1.030 168 S CA 0.966 59.187 58.200 0.035 0.000 0.999 168 S CB -0.193 63.023 63.200 0.028 0.000 0.844 168 S HN 0.360 nan 8.310 nan 0.000 0.459 169 L N 0.641 121.904 121.223 0.067 0.000 2.201 169 L HA 0.018 4.361 4.340 0.004 0.000 0.212 169 L C 2.817 179.767 176.870 0.134 0.000 1.105 169 L CA 0.987 55.908 54.840 0.136 0.000 0.775 169 L CB -0.310 41.819 42.059 0.117 0.000 0.913 169 L HN 0.265 nan 8.230 nan 0.000 0.440 170 R N -0.233 120.298 120.500 0.051 0.000 2.161 170 R HA 0.112 4.454 4.340 0.004 0.000 0.213 170 R C 1.177 177.497 176.300 0.033 0.000 1.055 170 R CA 0.517 56.635 56.100 0.029 0.000 0.996 170 R CB -0.146 30.140 30.300 -0.023 0.000 0.901 170 R HN 0.413 nan 8.270 nan 0.000 0.456 171 G N 1.559 110.376 108.800 0.029 0.000 2.697 171 G HA2 -0.354 3.608 3.960 0.004 0.000 0.240 171 G HA3 -0.354 3.608 3.960 0.004 0.000 0.240 171 G C -0.090 174.816 174.900 0.010 0.000 1.346 171 G CA 0.246 45.355 45.100 0.013 0.000 0.887 171 G HN 0.534 nan 8.290 nan 0.000 0.569 172 N N -0.511 118.188 118.700 -0.001 0.000 2.177 172 N HA 0.475 5.218 4.740 0.004 0.000 0.218 172 N C 1.535 177.044 175.510 -0.000 0.000 1.182 172 N CA 1.201 54.253 53.050 0.003 0.000 0.882 172 N CB 0.867 39.353 38.487 -0.001 0.000 1.052 172 N HN 2.384 nan 8.380 nan 0.000 0.519 173 G N -0.515 108.280 108.800 -0.008 0.000 2.143 173 G HA2 -0.265 3.698 3.960 0.004 0.000 0.249 173 G HA3 -0.265 3.698 3.960 0.004 0.000 0.249 173 G C 0.089 174.970 174.900 -0.031 0.000 0.981 173 G CA 0.688 45.782 45.100 -0.011 0.000 0.665 173 G HN 0.937 nan 8.290 nan 0.000 0.528 174 T N -2.771 111.755 114.554 -0.046 0.000 2.865 174 T HA 0.929 5.282 4.350 0.004 0.000 0.294 174 T C 0.494 175.143 174.700 -0.086 0.000 1.119 174 T CA 0.379 62.444 62.100 -0.058 0.000 1.007 174 T CB 2.241 71.083 68.868 -0.043 0.000 1.225 174 T HN 2.366 nan 8.240 nan 0.000 0.515 175 G N 0.412 109.155 108.800 -0.095 0.000 2.692 175 G HA2 0.022 3.984 3.960 0.004 0.000 0.686 175 G HA3 0.022 3.984 3.960 0.004 0.000 0.686 175 G C -0.657 174.141 174.900 -0.170 0.000 1.243 175 G CA -0.356 44.673 45.100 -0.119 0.000 0.782 175 G HN 1.111 nan 8.290 nan 0.000 0.625 176 E N 1.110 121.203 120.200 -0.179 0.000 2.223 176 E HA 0.338 4.690 4.350 0.004 0.000 0.282 176 E C 0.706 177.110 176.600 -0.327 0.000 1.046 176 E CA -0.788 55.475 56.400 -0.228 0.000 0.857 176 E CB 0.388 29.979 29.700 -0.182 0.000 1.055 176 E HN 0.425 nan 8.360 nan 0.000 0.409 177 R N 3.741 123.948 120.500 -0.487 0.000 2.491 177 R HA 0.189 4.531 4.340 0.004 0.000 0.283 177 R C -0.051 175.843 176.300 -0.677 0.000 1.072 177 R CA -0.129 55.485 56.100 -0.811 0.000 1.048 177 R CB 0.565 29.870 30.300 -1.658 0.000 0.983 177 R HN 0.448 nan 8.270 nan 0.000 0.450 178 K N 1.790 121.802 120.400 -0.646 0.000 2.185 178 K HA 0.107 4.429 4.320 0.004 0.000 0.240 178 K C 1.023 177.317 176.600 -0.509 0.000 0.983 178 K CA -0.656 55.275 56.287 -0.593 0.000 0.873 178 K CB 1.335 33.315 32.500 -0.867 0.000 1.118 178 K HN 0.563 nan 8.250 nan 0.000 0.441 179 E N 0.911 120.856 120.200 -0.425 0.000 2.114 179 E HA -0.258 4.095 4.350 0.004 0.000 0.199 179 E C 1.061 177.454 176.600 -0.345 0.000 1.008 179 E CA 2.024 58.277 56.400 -0.245 0.000 0.810 179 E CB -0.067 29.551 29.700 -0.136 0.000 0.739 179 E HN 0.591 nan 8.360 nan 0.000 0.456 180 Y N -0.061 119.987 120.300 -0.420 0.000 2.490 180 Y HA 0.275 4.828 4.550 0.004 0.000 0.281 180 Y C 0.160 175.938 175.900 -0.203 0.000 1.174 180 Y CA -0.470 57.218 58.100 -0.687 0.000 1.295 180 Y CB -0.319 37.374 38.460 -1.278 0.000 1.062 180 Y HN -0.237 nan 8.280 nan 0.000 0.522 181 D N 2.086 122.355 120.400 -0.217 0.000 2.399 181 D HA 0.127 4.769 4.640 0.004 0.000 0.241 181 D C 0.019 176.402 176.300 0.139 0.000 1.133 181 D CA 0.184 54.189 54.000 0.008 0.000 0.890 181 D CB 0.666 41.372 40.800 -0.156 0.000 1.201 181 D HN 0.356 nan 8.370 nan 0.000 0.432 182 R N 1.589 122.170 120.500 0.136 0.000 2.881 182 R HA 0.370 4.712 4.340 0.004 0.000 0.331 182 R C -0.530 175.841 176.300 0.118 0.000 1.207 182 R CA -0.285 55.883 56.100 0.113 0.000 1.265 182 R CB 0.320 30.728 30.300 0.179 0.000 1.351 182 R HN 0.296 nan 8.270 nan 0.000 0.613 183 I N 1.232 121.837 120.570 0.058 0.000 2.362 183 I HA 0.292 4.464 4.170 0.004 0.000 0.289 183 I C -0.719 175.377 176.117 -0.035 0.000 0.994 183 I CA -0.924 60.414 61.300 0.063 0.000 1.158 183 I CB 1.054 39.055 38.000 0.002 0.000 1.315 183 I HN 0.112 nan 8.210 nan 0.000 0.451 184 Y N 4.719 125.018 120.300 -0.001 0.000 2.335 184 Y HA 0.520 5.073 4.550 0.004 0.000 0.339 184 Y C 0.016 175.824 175.900 -0.154 0.000 0.987 184 Y CA -0.388 57.670 58.100 -0.070 0.000 1.140 184 Y CB 0.940 39.365 38.460 -0.058 0.000 1.173 184 Y HN 0.465 nan 8.280 nan 0.000 0.486 185 D N 0.880 121.208 120.400 -0.120 0.000 2.665 185 D HA 0.323 4.965 4.640 0.004 0.000 0.287 185 D C -1.627 174.481 176.300 -0.321 0.000 1.266 185 D CA -0.790 53.074 54.000 -0.226 0.000 0.830 185 D CB 1.441 42.207 40.800 -0.057 0.000 1.356 185 D HN 0.265 nan 8.370 nan 0.000 0.437 186 Y N 0.251 120.547 120.300 -0.007 0.000 2.496 186 Y HA 0.608 5.160 4.550 0.004 0.000 0.331 186 Y C 0.395 176.261 175.900 -0.057 0.000 1.140 186 Y CA -0.534 57.539 58.100 -0.044 0.000 1.166 186 Y CB 1.454 39.879 38.460 -0.058 0.000 1.249 186 Y HN 0.106 nan 8.280 nan 0.000 0.479 187 D N -0.502 119.952 120.400 0.091 0.000 2.622 187 D HA 0.395 5.037 4.640 0.004 0.000 0.255 187 D C -1.240 175.059 176.300 -0.001 0.000 1.246 187 D CA -0.453 53.556 54.000 0.016 0.000 0.795 187 D CB 2.277 43.050 40.800 -0.045 0.000 1.369 187 D HN 0.379 nan 8.370 nan 0.000 0.425 188 V N -0.254 119.667 119.914 0.012 0.000 3.295 188 V HA 0.449 4.571 4.120 0.004 0.000 0.308 188 V C 0.006 176.126 176.094 0.042 0.000 1.068 188 V CA -0.236 62.111 62.300 0.079 0.000 1.062 188 V CB 0.429 32.304 31.823 0.086 0.000 1.162 188 V HN 0.484 nan 8.190 nan 0.000 0.456 189 Y N 2.849 123.159 120.300 0.016 0.000 2.636 189 Y HA 0.303 4.855 4.550 0.004 0.000 0.334 189 Y C 1.175 177.033 175.900 -0.071 0.000 1.286 189 Y CA -0.481 57.610 58.100 -0.014 0.000 1.688 189 Y CB -0.484 37.956 38.460 -0.034 0.000 1.662 189 Y HN 0.841 nan 8.280 nan 0.000 0.465 190 N N -0.228 118.482 118.700 0.018 0.000 2.235 190 N HA -0.017 4.725 4.740 0.004 0.000 0.231 190 N C -0.094 175.393 175.510 -0.037 0.000 1.177 190 N CA 0.029 53.068 53.050 -0.019 0.000 0.874 190 N CB 0.078 38.549 38.487 -0.027 0.000 1.097 190 N HN 0.465 nan 8.380 nan 0.000 0.518 191 D N -0.129 120.255 120.400 -0.027 0.000 2.440 191 D HA 0.107 4.749 4.640 0.004 0.000 0.216 191 D C 1.099 177.434 176.300 0.057 0.000 1.150 191 D CA -0.307 53.677 54.000 -0.026 0.000 0.832 191 D CB -0.163 40.573 40.800 -0.106 0.000 0.992 191 D HN 0.198 nan 8.370 nan 0.000 0.502 192 L N -0.032 121.211 121.223 0.033 0.000 2.253 192 L HA 0.287 4.629 4.340 0.004 0.000 0.205 192 L C 1.620 178.478 176.870 -0.020 0.000 1.078 192 L CA 0.454 55.303 54.840 0.015 0.000 0.805 192 L CB -0.327 41.716 42.059 -0.027 0.000 0.963 192 L HN 0.049 nan 8.230 nan 0.000 0.459 193 G N -0.239 108.538 108.800 -0.038 0.000 2.599 193 G HA2 0.094 4.057 3.960 0.004 0.000 0.264 193 G HA3 0.094 4.057 3.960 0.004 0.000 0.264 193 G C -0.367 174.517 174.900 -0.026 0.000 1.200 193 G CA -0.130 44.942 45.100 -0.046 0.000 0.896 193 G HN 0.129 nan 8.290 nan 0.000 0.536 194 N N 0.390 119.072 118.700 -0.030 0.000 2.703 194 N HA 0.255 4.998 4.740 0.004 0.000 0.283 194 N C -1.463 174.032 175.510 -0.025 0.000 1.851 194 N CA -1.660 51.377 53.050 -0.020 0.000 0.826 194 N CB 1.573 40.050 38.487 -0.016 0.000 1.239 194 N HN 0.153 nan 8.380 nan 0.000 0.495 195 P HA -0.059 nan 4.420 nan 0.000 0.220 195 P C 0.310 177.597 177.300 -0.021 0.000 1.148 195 P CA 0.971 64.056 63.100 -0.025 0.000 0.803 195 P CB 0.602 32.286 31.700 -0.026 0.000 0.782 196 D N -0.118 120.270 120.400 -0.020 0.000 2.269 196 D HA -0.102 4.540 4.640 0.004 0.000 0.208 196 D C 2.018 178.308 176.300 -0.016 0.000 0.963 196 D CA 0.987 54.976 54.000 -0.018 0.000 0.864 196 D CB -0.263 40.526 40.800 -0.018 0.000 0.936 196 D HN 0.299 nan 8.370 nan 0.000 0.505 197 K N -0.634 119.756 120.400 -0.017 0.000 2.128 197 K HA 0.034 4.356 4.320 0.004 0.000 0.202 197 K C 0.122 176.712 176.600 -0.017 0.000 1.050 197 K CA 0.403 56.680 56.287 -0.016 0.000 0.966 197 K CB 0.449 32.939 32.500 -0.016 0.000 0.759 197 K HN -0.014 nan 8.250 nan 0.000 0.454 198 S N -0.643 115.045 115.700 -0.020 0.000 2.556 198 S HA 0.023 4.495 4.470 0.004 0.000 0.280 198 S C 0.015 174.601 174.600 -0.024 0.000 1.141 198 S CA -0.619 57.569 58.200 -0.021 0.000 0.883 198 S CB 1.403 64.590 63.200 -0.023 0.000 1.103 198 S HN 0.404 nan 8.310 nan 0.000 0.453 199 E N 3.011 123.198 120.200 -0.020 0.000 2.204 199 E HA -0.115 4.237 4.350 0.004 0.000 0.195 199 E C 1.109 177.693 176.600 -0.028 0.000 0.990 199 E CA 1.007 57.394 56.400 -0.020 0.000 0.821 199 E CB -0.192 29.500 29.700 -0.014 0.000 0.750 199 E HN 0.622 nan 8.360 nan 0.000 0.477 200 K N 0.385 120.767 120.400 -0.030 0.000 2.362 200 K HA -0.007 4.316 4.320 0.004 0.000 0.200 200 K C 1.604 178.171 176.600 -0.056 0.000 1.046 200 K CA 0.794 57.057 56.287 -0.041 0.000 0.952 200 K CB 0.026 32.503 32.500 -0.039 0.000 0.753 200 K HN 0.279 nan 8.250 nan 0.000 0.466 201 L N 0.554 121.747 121.223 -0.050 0.000 2.628 201 L HA 0.189 4.531 4.340 0.004 0.000 0.229 201 L C 0.560 177.395 176.870 -0.059 0.000 1.137 201 L CA -0.621 54.184 54.840 -0.058 0.000 0.909 201 L CB 0.192 42.223 42.059 -0.047 0.000 1.137 201 L HN -0.028 nan 8.230 nan 0.000 0.470 202 A N 1.030 123.818 122.820 -0.053 0.000 2.425 202 A HA 0.576 4.898 4.320 0.004 0.000 0.249 202 A C 0.068 177.609 177.584 -0.071 0.000 1.084 202 A CA -0.014 51.992 52.037 -0.051 0.000 0.781 202 A CB 0.299 19.277 19.000 -0.036 0.000 1.019 202 A HN 0.195 nan 8.150 nan 0.000 0.490 203 R N 1.652 122.102 120.500 -0.082 0.000 2.725 203 R HA 0.520 4.863 4.340 0.004 0.000 0.277 203 R C -2.893 173.322 176.300 -0.141 0.000 0.987 203 R CA -1.752 54.276 56.100 -0.120 0.000 0.901 203 R CB 1.226 31.442 30.300 -0.139 0.000 1.207 203 R HN 0.703 nan 8.270 nan 0.000 0.463 204 P HA 0.124 nan 4.420 nan 0.000 0.271 204 P C -0.173 176.936 177.300 -0.319 0.000 1.218 204 P CA -0.359 62.563 63.100 -0.298 0.000 0.780 204 P CB 0.690 32.017 31.700 -0.622 0.000 0.901 205 V N 3.917 123.718 119.914 -0.189 0.000 2.521 205 V HA 0.038 4.160 4.120 0.004 0.000 0.286 205 V C 0.787 176.783 176.094 -0.164 0.000 1.034 205 V CA -0.032 62.197 62.300 -0.117 0.000 1.045 205 V CB 0.119 31.931 31.823 -0.019 0.000 0.974 205 V HN 0.350 nan 8.190 nan 0.000 0.480 206 L N 5.414 126.538 121.223 -0.165 0.000 2.265 206 L HA 0.822 5.164 4.340 0.004 0.000 0.289 206 L C 0.564 177.464 176.870 0.050 0.000 1.033 206 L CA -0.057 54.658 54.840 -0.207 0.000 0.814 206 L CB 1.099 42.756 42.059 -0.670 0.000 1.203 206 L HN 0.934 nan 8.230 nan 0.000 0.423 207 G N 1.271 110.172 108.800 0.168 0.000 2.640 207 G HA2 0.322 4.285 3.960 0.004 0.000 0.686 207 G HA3 0.322 4.285 3.960 0.004 0.000 0.686 207 G C 0.228 175.224 174.900 0.160 0.000 1.229 207 G CA -0.313 44.914 45.100 0.212 0.000 0.796 207 G HN 1.061 nan 8.290 nan 0.000 0.654 208 G N -1.295 107.590 108.800 0.141 0.000 2.136 208 G HA2 0.296 4.258 3.960 0.004 0.000 0.242 208 G HA3 0.296 4.258 3.960 0.004 0.000 0.242 208 G C 0.713 175.675 174.900 0.104 0.000 0.989 208 G CA 1.491 46.650 45.100 0.100 0.000 0.682 208 G HN 2.856 nan 8.290 nan 0.000 0.522 209 S N -1.847 113.935 115.700 0.137 0.000 2.570 209 S HA 0.754 5.226 4.470 0.004 0.000 0.270 209 S C 1.107 175.771 174.600 0.107 0.000 1.149 209 S CA 0.675 58.944 58.200 0.114 0.000 0.837 209 S CB 1.395 64.677 63.200 0.138 0.000 1.124 209 S HN 1.417 nan 8.310 nan 0.000 0.465 210 S N 0.878 116.612 115.700 0.058 0.000 2.428 210 S HA -0.061 4.411 4.470 0.004 0.000 0.230 210 S C 1.511 176.104 174.600 -0.011 0.000 1.014 210 S CA 1.450 59.673 58.200 0.039 0.000 0.957 210 S CB -1.188 62.023 63.200 0.018 0.000 0.784 210 S HN 0.784 nan 8.310 nan 0.000 0.499 211 T N 1.151 115.653 114.554 -0.087 0.000 2.777 211 T HA 0.149 4.501 4.350 0.004 0.000 0.266 211 T C -0.133 174.283 174.700 -0.474 0.000 1.040 211 T CA 0.900 62.798 62.100 -0.336 0.000 1.141 211 T CB -0.325 68.261 68.868 -0.469 0.000 0.868 211 T HN 0.463 nan 8.240 nan 0.000 0.444 212 F N 2.523 122.530 119.950 0.094 0.000 2.550 212 F HA 0.362 4.891 4.527 0.004 0.000 0.348 212 F C -2.491 173.404 175.800 0.159 0.000 1.219 212 F CA -3.322 54.741 58.000 0.106 0.000 1.203 212 F CB 0.999 40.027 39.000 0.046 0.000 1.436 212 F HN -0.084 nan 8.300 nan 0.000 0.541 213 P HA 0.212 nan 4.420 nan 0.000 0.274 213 P C -1.180 176.452 177.300 0.554 0.000 1.231 213 P CA -0.064 63.298 63.100 0.436 0.000 0.790 213 P CB 1.887 33.845 31.700 0.430 0.000 0.951 214 Y N 0.597 120.971 120.300 0.123 0.000 2.638 214 Y HA 0.290 4.842 4.550 0.004 0.000 0.334 214 Y C -2.661 172.945 175.900 -0.489 0.000 1.182 214 Y CA -1.903 55.943 58.100 -0.423 0.000 1.102 214 Y CB 1.422 39.745 38.460 -0.229 0.000 1.343 214 Y HN 0.271 nan 8.280 nan 0.000 0.463 215 P HA 0.237 nan 4.420 nan 0.000 0.269 215 P C -0.674 176.495 177.300 -0.219 0.000 1.215 215 P CA -0.220 62.444 63.100 -0.728 0.000 0.780 215 P CB 0.571 31.712 31.700 -0.933 0.000 0.898 216 R N 2.078 122.465 120.500 -0.189 0.000 2.577 216 R HA 0.450 4.792 4.340 0.004 0.000 0.269 216 R C 0.716 177.042 176.300 0.044 0.000 1.084 216 R CA -0.284 55.827 56.100 0.017 0.000 1.163 216 R CB 0.394 30.704 30.300 0.016 0.000 1.100 216 R HN 0.624 nan 8.270 nan 0.000 0.547 217 R N -1.436 119.049 120.500 -0.025 0.000 2.930 217 R HA 0.583 4.925 4.340 0.004 0.000 0.257 217 R C -0.114 176.125 176.300 -0.103 0.000 1.107 217 R CA -0.799 55.221 56.100 -0.134 0.000 0.999 217 R CB -0.172 29.826 30.300 -0.503 0.000 1.209 217 R HN 0.589 nan 8.270 nan 0.000 0.486 218 G N 0.607 109.342 108.800 -0.109 0.000 2.365 218 G HA2 0.188 4.150 3.960 0.004 0.000 0.249 218 G HA3 0.188 4.150 3.960 0.004 0.000 0.249 218 G C -0.638 174.213 174.900 -0.080 0.000 1.288 218 G CA -0.548 44.492 45.100 -0.101 0.000 0.887 218 G HN 0.584 nan 8.290 nan 0.000 0.524 219 R N 0.975 121.436 120.500 -0.065 0.000 2.537 219 R HA 0.209 4.551 4.340 0.004 0.000 0.280 219 R C 1.345 177.617 176.300 -0.046 0.000 1.058 219 R CA 0.691 56.752 56.100 -0.065 0.000 1.057 219 R CB 0.463 30.726 30.300 -0.063 0.000 0.973 219 R HN 0.607 nan 8.270 nan 0.000 0.438 220 T N 0.211 114.700 114.554 -0.108 0.000 2.964 220 T HA 0.182 4.534 4.350 0.004 0.000 0.249 220 T C 1.227 175.782 174.700 -0.242 0.000 1.000 220 T CA 0.325 62.335 62.100 -0.151 0.000 0.992 220 T CB 0.331 69.093 68.868 -0.176 0.000 1.087 220 T HN 0.753 nan 8.240 nan 0.000 0.489 221 G N 2.531 111.212 108.800 -0.198 0.000 2.273 221 G HA2 -0.319 3.643 3.960 0.004 0.000 0.280 221 G HA3 -0.319 3.643 3.960 0.004 0.000 0.280 221 G C 0.784 175.576 174.900 -0.180 0.000 1.047 221 G CA 0.454 45.445 45.100 -0.181 0.000 0.869 221 G HN 0.575 nan 8.290 nan 0.000 0.502 222 R N 0.046 120.432 120.500 -0.191 0.000 2.280 222 R HA 0.337 4.680 4.340 0.004 0.000 0.207 222 R C 1.668 177.891 176.300 -0.129 0.000 1.043 222 R CA 0.777 56.775 56.100 -0.170 0.000 1.006 222 R CB -0.024 30.157 30.300 -0.198 0.000 0.885 222 R HN 1.612 nan 8.270 nan 0.000 0.467 223 G N 1.342 110.071 108.800 -0.118 0.000 2.663 223 G HA2 -0.165 3.797 3.960 0.004 0.000 0.686 223 G HA3 -0.165 3.797 3.960 0.004 0.000 0.686 223 G C -2.871 171.980 174.900 -0.081 0.000 1.288 223 G CA -1.043 44.003 45.100 -0.090 0.000 0.836 223 G HN -0.039 nan 8.290 nan 0.000 0.584 224 P HA 0.373 nan 4.420 nan 0.000 0.274 224 P C 0.812 178.083 177.300 -0.048 0.000 1.237 224 P CA 0.475 63.543 63.100 -0.053 0.000 0.793 224 P CB 0.784 32.460 31.700 -0.041 0.000 0.977 225 T N -2.239 112.289 114.554 -0.043 0.000 2.788 225 T HA 0.142 4.495 4.350 0.004 0.000 0.287 225 T C 1.518 176.200 174.700 -0.030 0.000 1.007 225 T CA -0.206 61.873 62.100 -0.036 0.000 1.005 225 T CB -0.011 68.838 68.868 -0.032 0.000 1.012 225 T HN 0.302 nan 8.240 nan 0.000 0.530 226 V N -1.238 118.661 119.914 -0.026 0.000 2.719 226 V HA 0.011 4.133 4.120 0.004 0.000 0.252 226 V C 2.334 178.417 176.094 -0.018 0.000 1.065 226 V CA 1.650 63.937 62.300 -0.021 0.000 1.086 226 V CB -1.790 30.022 31.823 -0.019 0.000 0.700 226 V HN 1.108 nan 8.190 nan 0.000 0.467 227 T N -3.211 111.332 114.554 -0.018 0.000 3.037 227 T HA 0.162 4.514 4.350 0.004 0.000 0.251 227 T C 0.403 175.094 174.700 -0.015 0.000 1.079 227 T CA 0.746 62.837 62.100 -0.015 0.000 1.067 227 T CB 0.042 68.901 68.868 -0.015 0.000 0.948 227 T HN 0.546 nan 8.240 nan 0.000 0.496 228 D N 1.498 121.887 120.400 -0.018 0.000 2.616 228 D HA 0.322 4.964 4.640 0.004 0.000 0.238 228 D C -2.253 174.034 176.300 -0.021 0.000 1.354 228 D CA -2.299 51.691 54.000 -0.017 0.000 0.970 228 D CB 2.322 43.111 40.800 -0.018 0.000 1.369 228 D HN -0.137 nan 8.370 nan 0.000 0.585 229 P HA -0.030 nan 4.420 nan 0.000 0.230 229 P C 0.192 177.479 177.300 -0.021 0.000 1.158 229 P CA 0.666 63.754 63.100 -0.020 0.000 0.769 229 P CB 0.325 32.016 31.700 -0.016 0.000 0.807 230 N N -1.170 117.520 118.700 -0.018 0.000 2.280 230 N HA 0.044 4.786 4.740 0.004 0.000 0.192 230 N C -0.121 175.374 175.510 -0.025 0.000 1.109 230 N CA 0.163 53.204 53.050 -0.016 0.000 0.855 230 N CB 0.228 38.712 38.487 -0.005 0.000 0.974 230 N HN 0.027 nan 8.380 nan 0.000 0.482 231 T N 0.445 114.980 114.554 -0.032 0.000 2.797 231 T HA 0.148 4.500 4.350 0.004 0.000 0.279 231 T C -0.414 174.255 174.700 -0.053 0.000 0.991 231 T CA -0.574 61.502 62.100 -0.041 0.000 0.979 231 T CB 2.359 71.204 68.868 -0.037 0.000 0.943 231 T HN 0.041 nan 8.240 nan 0.000 0.444 232 E N 2.809 122.967 120.200 -0.070 0.000 2.338 232 E HA 0.159 4.512 4.350 0.004 0.000 0.272 232 E C 0.290 176.833 176.600 -0.095 0.000 1.029 232 E CA -0.710 55.631 56.400 -0.098 0.000 0.872 232 E CB 0.554 30.169 29.700 -0.142 0.000 1.015 232 E HN 0.536 nan 8.360 nan 0.000 0.417 233 K N 3.650 123.993 120.400 -0.095 0.000 2.336 233 K HA 0.050 4.372 4.320 0.004 0.000 0.262 233 K C -0.030 176.516 176.600 -0.090 0.000 0.992 233 K CA -0.573 55.668 56.287 -0.077 0.000 0.927 233 K CB 0.543 33.001 32.500 -0.069 0.000 0.956 233 K HN 0.347 nan 8.250 nan 0.000 0.495 234 Q N 0.066 119.842 119.800 -0.040 0.000 2.474 234 Q HA 0.249 4.592 4.340 0.004 0.000 0.256 234 Q C 0.131 176.126 176.000 -0.008 0.000 1.048 234 Q CA 0.431 56.239 55.803 0.008 0.000 0.922 234 Q CB 1.322 30.081 28.738 0.034 0.000 1.288 234 Q HN 0.889 nan 8.270 nan 0.000 0.484 235 G N 0.505 109.350 108.800 0.076 0.000 2.733 235 G HA2 0.264 4.227 3.960 0.004 0.000 0.297 235 G HA3 0.264 4.227 3.960 0.004 0.000 0.297 235 G C 0.060 175.067 174.900 0.179 0.000 1.422 235 G CA -0.466 44.670 45.100 0.060 0.000 0.942 235 G HN 0.388 nan 8.290 nan 0.000 0.510 236 E N -0.399 119.862 120.200 0.100 0.000 2.150 236 E HA -0.022 4.330 4.350 0.004 0.000 0.193 236 E C 0.732 177.405 176.600 0.121 0.000 0.985 236 E CA 0.912 57.364 56.400 0.088 0.000 0.814 236 E CB 0.330 30.054 29.700 0.040 0.000 0.752 236 E HN 0.195 nan 8.360 nan 0.000 0.466 237 V N 1.753 121.758 119.914 0.152 0.000 2.531 237 V HA 0.207 4.330 4.120 0.004 0.000 0.301 237 V C -0.792 175.478 176.094 0.294 0.000 1.034 237 V CA -0.701 61.702 62.300 0.172 0.000 0.865 237 V CB 1.412 33.281 31.823 0.077 0.000 0.995 237 V HN -0.082 nan 8.190 nan 0.000 0.424 238 F N 4.669 124.608 119.950 -0.018 0.000 2.390 238 F HA 0.382 4.911 4.527 0.004 0.000 0.361 238 F C 0.174 175.975 175.800 0.002 0.000 1.124 238 F CA -1.097 56.897 58.000 -0.010 0.000 1.149 238 F CB 0.424 39.407 39.000 -0.027 0.000 1.160 238 F HN 0.586 nan 8.300 nan 0.000 0.501 239 Y N 4.921 125.208 120.300 -0.021 0.000 2.578 239 Y HA 0.426 4.979 4.550 0.004 0.000 0.339 239 Y C -0.490 175.356 175.900 -0.089 0.000 1.231 239 Y CA -0.621 57.428 58.100 -0.086 0.000 1.461 239 Y CB 0.589 38.951 38.460 -0.163 0.000 1.323 239 Y HN 0.355 nan 8.280 nan 0.000 0.590 240 V N 3.101 122.404 119.914 -1.018 0.000 2.971 240 V HA 0.593 4.715 4.120 0.004 0.000 0.309 240 V C -2.937 172.274 176.094 -1.473 0.000 1.130 240 V CA -3.012 58.649 62.300 -1.066 0.000 0.964 240 V CB 1.604 33.165 31.823 -0.438 0.000 1.029 240 V HN 0.693 nan 8.190 nan 0.000 0.427 241 P HA 0.112 nan 4.420 nan 0.000 0.263 241 P C 0.595 177.665 177.300 -0.383 0.000 1.175 241 P CA 0.250 62.898 63.100 -0.753 0.000 0.761 241 P CB 0.529 31.590 31.700 -1.065 0.000 0.794 242 R N 3.741 124.155 120.500 -0.144 0.000 2.134 242 R HA -0.215 4.128 4.340 0.004 0.000 0.248 242 R C 1.037 177.427 176.300 0.149 0.000 1.143 242 R CA 2.129 58.238 56.100 0.015 0.000 0.957 242 R CB -1.111 29.278 30.300 0.150 0.000 0.867 242 R HN 0.460 nan 8.270 nan 0.000 0.441 243 D N 0.183 120.722 120.400 0.231 0.000 2.363 243 D HA -0.068 4.574 4.640 0.004 0.000 0.226 243 D C 1.020 177.447 176.300 0.211 0.000 1.020 243 D CA 0.449 54.649 54.000 0.333 0.000 0.892 243 D CB 0.083 41.108 40.800 0.376 0.000 0.900 243 D HN 0.343 nan 8.370 nan 0.000 0.531 244 E N 0.438 120.686 120.200 0.081 0.000 2.371 244 E HA -0.056 4.297 4.350 0.004 0.000 0.194 244 E C 0.634 177.252 176.600 0.030 0.000 1.012 244 E CA 0.169 56.593 56.400 0.040 0.000 0.860 244 E CB -0.137 29.523 29.700 -0.066 0.000 0.811 244 E HN 0.103 nan 8.360 nan 0.000 0.502 245 N N 1.483 120.198 118.700 0.024 0.000 2.719 245 N HA 0.068 4.810 4.740 0.004 0.000 0.243 245 N C -0.695 174.844 175.510 0.049 0.000 1.104 245 N CA -0.071 52.987 53.050 0.013 0.000 0.981 245 N CB -0.125 38.340 38.487 -0.038 0.000 1.290 245 N HN -0.044 nan 8.380 nan 0.000 0.513 246 L N 1.748 122.979 121.223 0.013 0.000 2.462 246 L HA 0.263 4.606 4.340 0.004 0.000 0.272 246 L C 1.519 178.225 176.870 -0.273 0.000 1.166 246 L CA -0.505 54.275 54.840 -0.100 0.000 0.880 246 L CB 0.189 42.162 42.059 -0.142 0.000 1.142 246 L HN 0.394 nan 8.230 nan 0.000 0.473 247 G N 2.446 111.112 108.800 -0.223 0.000 2.562 247 G HA2 0.407 4.369 3.960 0.004 0.000 0.275 247 G HA3 0.407 4.369 3.960 0.004 0.000 0.275 247 G C -0.609 174.011 174.900 -0.467 0.000 1.196 247 G CA -0.374 44.615 45.100 -0.185 0.000 0.908 247 G HN 0.653 nan 8.290 nan 0.000 0.524 248 H N 0.279 119.370 119.070 0.034 0.000 2.771 248 H HA 0.227 4.785 4.556 0.004 0.000 0.361 248 H C 0.753 176.098 175.328 0.029 0.000 1.108 248 H CA -0.589 55.474 56.048 0.024 0.000 1.201 248 H CB 2.276 32.056 29.762 0.031 0.000 1.681 248 H HN 0.254 nan 8.280 nan 0.000 0.534 249 L N 0.894 122.198 121.223 0.135 0.000 2.093 249 L HA -0.045 4.297 4.340 0.004 0.000 0.208 249 L C 0.413 177.338 176.870 0.092 0.000 1.085 249 L CA 1.446 56.341 54.840 0.092 0.000 0.755 249 L CB -0.050 42.049 42.059 0.067 0.000 0.904 249 L HN 0.218 nan 8.230 nan 0.000 0.435 250 K N -0.774 119.686 120.400 0.100 0.000 2.265 250 K HA 0.165 4.488 4.320 0.004 0.000 0.267 250 K C 0.846 177.478 176.600 0.053 0.000 0.994 250 K CA -0.167 56.158 56.287 0.063 0.000 0.860 250 K CB 2.061 34.587 32.500 0.044 0.000 1.099 250 K HN -0.244 nan 8.250 nan 0.000 0.448 251 S N 3.155 118.880 115.700 0.042 0.000 2.402 251 S HA -0.193 4.279 4.470 0.004 0.000 0.233 251 S C 1.622 176.212 174.600 -0.016 0.000 1.030 251 S CA 1.735 59.950 58.200 0.026 0.000 1.003 251 S CB -0.031 63.183 63.200 0.024 0.000 0.813 251 S HN 0.701 nan 8.310 nan 0.000 0.477 252 K N -0.142 120.246 120.400 -0.020 0.000 2.360 252 K HA -0.059 4.263 4.320 0.004 0.000 0.201 252 K C 0.770 177.323 176.600 -0.079 0.000 1.046 252 K CA 1.518 57.782 56.287 -0.039 0.000 0.945 252 K CB -0.248 32.239 32.500 -0.022 0.000 0.750 252 K HN 0.228 nan 8.250 nan 0.000 0.464 253 D N 1.310 121.638 120.400 -0.120 0.000 2.340 253 D HA 0.056 4.699 4.640 0.004 0.000 0.220 253 D C 0.318 176.259 176.300 -0.598 0.000 1.039 253 D CA 0.395 54.246 54.000 -0.248 0.000 0.866 253 D CB 0.464 41.164 40.800 -0.167 0.000 0.913 253 D HN 0.372 nan 8.370 nan 0.000 0.523 254 A N 0.866 123.424 122.820 -0.438 0.000 3.117 254 A HA 0.184 4.506 4.320 0.004 0.000 0.255 254 A C 1.677 179.179 177.584 -0.138 0.000 1.583 254 A CA -0.214 51.614 52.037 -0.347 0.000 1.234 254 A CB -0.938 18.044 19.000 -0.031 0.000 1.076 254 A HN 0.168 nan 8.150 nan 0.000 0.653 255 L N 0.270 121.411 121.223 -0.137 0.000 2.081 255 L HA -0.238 4.104 4.340 0.004 0.000 0.212 255 L C 2.788 179.662 176.870 0.007 0.000 1.080 255 L CA 1.737 56.554 54.840 -0.038 0.000 0.754 255 L CB -0.410 41.647 42.059 -0.003 0.000 0.893 255 L HN 0.759 nan 8.230 nan 0.000 0.433 256 E N 1.529 121.750 120.200 0.034 0.000 2.265 256 E HA -0.240 4.112 4.350 0.004 0.000 0.196 256 E C 1.912 178.529 176.600 0.028 0.000 0.996 256 E CA 1.682 58.115 56.400 0.056 0.000 0.832 256 E CB -0.526 29.229 29.700 0.091 0.000 0.756 256 E HN 0.811 nan 8.360 nan 0.000 0.491 257 I N -2.003 118.577 120.570 0.017 0.000 3.251 257 I HA 0.227 4.399 4.170 0.004 0.000 0.277 257 I C 2.094 178.206 176.117 -0.008 0.000 1.268 257 I CA 0.712 62.014 61.300 0.003 0.000 1.449 257 I CB -0.357 37.647 38.000 0.007 0.000 1.083 257 I HN -0.043 nan 8.210 nan 0.000 0.464 258 G N 2.132 110.929 108.800 -0.005 0.000 2.422 258 G HA2 -0.295 3.667 3.960 0.004 0.000 0.218 258 G HA3 -0.295 3.667 3.960 0.004 0.000 0.218 258 G C 1.750 176.648 174.900 -0.003 0.000 1.146 258 G CA 1.633 46.729 45.100 -0.006 0.000 0.769 258 G HN 0.552 nan 8.290 nan 0.000 0.547 259 T N -0.801 113.751 114.554 -0.003 0.000 2.788 259 T HA -0.061 4.291 4.350 0.004 0.000 0.268 259 T C 2.136 176.816 174.700 -0.033 0.000 1.044 259 T CA 1.682 63.776 62.100 -0.011 0.000 1.139 259 T CB -0.190 68.664 68.868 -0.023 0.000 0.867 259 T HN 0.373 nan 8.240 nan 0.000 0.454 260 K N 0.932 121.303 120.400 -0.047 0.000 2.026 260 K HA -0.059 4.264 4.320 0.004 0.000 0.208 260 K C 2.628 179.201 176.600 -0.045 0.000 1.048 260 K CA 1.492 57.742 56.287 -0.062 0.000 0.929 260 K CB -0.299 32.160 32.500 -0.067 0.000 0.713 260 K HN 0.349 nan 8.250 nan 0.000 0.439 261 S N 1.148 116.828 115.700 -0.033 0.000 2.382 261 S HA -0.137 4.336 4.470 0.004 0.000 0.228 261 S C 1.703 176.282 174.600 -0.035 0.000 1.027 261 S CA 1.013 59.193 58.200 -0.033 0.000 0.991 261 S CB -0.255 62.930 63.200 -0.025 0.000 0.823 261 S HN 0.251 nan 8.310 nan 0.000 0.469 262 L N 2.399 123.612 121.223 -0.017 0.000 2.017 262 L HA -0.106 4.236 4.340 0.004 0.000 0.208 262 L C 2.442 179.305 176.870 -0.013 0.000 1.073 262 L CA 2.244 57.082 54.840 -0.002 0.000 0.745 262 L CB -1.054 41.031 42.059 0.044 0.000 0.894 262 L HN 0.406 nan 8.230 nan 0.000 0.432 263 S N -1.443 114.247 115.700 -0.016 0.000 2.368 263 S HA -0.205 4.267 4.470 0.004 0.000 0.224 263 S C 1.823 176.403 174.600 -0.034 0.000 1.029 263 S CA 1.143 59.329 58.200 -0.022 0.000 0.988 263 S CB -0.672 62.506 63.200 -0.038 0.000 0.838 263 S HN 0.667 nan 8.310 nan 0.000 0.462 264 Q N 0.271 120.046 119.800 -0.043 0.000 2.212 264 Q HA 0.286 4.628 4.340 0.004 0.000 0.199 264 Q C 1.975 177.947 176.000 -0.047 0.000 0.950 264 Q CA 0.975 56.753 55.803 -0.043 0.000 0.863 264 Q CB -0.065 28.647 28.738 -0.043 0.000 0.944 264 Q HN 0.613 nan 8.270 nan 0.000 0.465 265 I N -1.128 119.407 120.570 -0.059 0.000 3.366 265 I HA -0.071 4.101 4.170 0.004 0.000 0.267 265 I C 1.978 178.022 176.117 -0.122 0.000 1.149 265 I CA 0.216 61.471 61.300 -0.074 0.000 1.436 265 I CB 0.123 38.083 38.000 -0.066 0.000 1.379 265 I HN -0.104 nan 8.210 nan 0.000 0.460 266 V N 0.953 120.771 119.914 -0.161 0.000 2.307 266 V HA -0.282 3.841 4.120 0.004 0.000 0.245 266 V C 2.467 178.335 176.094 -0.377 0.000 1.045 266 V CA 2.013 64.112 62.300 -0.335 0.000 1.024 266 V CB -0.758 30.868 31.823 -0.328 0.000 0.651 266 V HN 0.461 nan 8.190 nan 0.000 0.449 267 Q N 0.088 119.798 119.800 -0.150 0.000 2.077 267 Q HA -0.232 4.111 4.340 0.004 0.000 0.206 267 Q C -0.068 175.938 176.000 0.011 0.000 0.989 267 Q CA 2.576 58.376 55.803 -0.005 0.000 0.853 267 Q CB -0.962 27.791 28.738 0.027 0.000 0.907 267 Q HN 0.484 nan 8.270 nan 0.000 0.418 268 P HA -0.105 nan 4.420 nan 0.000 0.217 268 P C 0.603 177.911 177.300 0.013 0.000 1.150 268 P CA 1.917 65.016 63.100 -0.002 0.000 0.832 268 P CB -0.152 31.536 31.700 -0.020 0.000 0.787 269 A N -1.333 121.458 122.820 -0.047 0.000 1.898 269 A HA -0.183 4.139 4.320 0.004 0.000 0.216 269 A C 1.896 179.549 177.584 0.115 0.000 1.181 269 A CA 1.363 53.381 52.037 -0.032 0.000 0.620 269 A CB -1.693 17.219 19.000 -0.147 0.000 0.819 269 A HN 0.031 nan 8.150 nan 0.000 0.442 270 F N 0.528 120.518 119.950 0.067 0.000 2.102 270 F HA -0.102 4.428 4.527 0.004 0.000 0.298 270 F C 2.397 178.323 175.800 0.210 0.000 1.105 270 F CA 1.272 59.357 58.000 0.141 0.000 1.239 270 F CB -1.060 37.994 39.000 0.090 0.000 0.991 270 F HN 0.369 nan 8.300 nan 0.000 0.474 271 E N -0.092 120.275 120.200 0.279 0.000 2.118 271 E HA -0.213 4.140 4.350 0.004 0.000 0.195 271 E C 2.314 179.037 176.600 0.206 0.000 0.992 271 E CA 1.724 58.225 56.400 0.168 0.000 0.804 271 E CB -0.353 29.386 29.700 0.066 0.000 0.741 271 E HN 0.423 nan 8.360 nan 0.000 0.458 272 S N 1.121 116.920 115.700 0.165 0.000 2.368 272 S HA -0.113 4.359 4.470 0.004 0.000 0.225 272 S C 2.285 176.965 174.600 0.135 0.000 1.030 272 S CA 0.898 59.170 58.200 0.120 0.000 0.999 272 S CB -0.238 63.008 63.200 0.077 0.000 0.844 272 S HN 0.290 nan 8.310 nan 0.000 0.459 273 A N 0.693 123.620 122.820 0.179 0.000 1.972 273 A HA 0.126 4.449 4.320 0.004 0.000 0.219 273 A C 1.865 179.453 177.584 0.007 0.000 1.169 273 A CA 1.304 53.392 52.037 0.086 0.000 0.635 273 A CB -0.926 18.126 19.000 0.086 0.000 0.810 273 A HN 0.555 nan 8.150 nan 0.000 0.446 274 F N 0.320 120.277 119.950 0.012 0.000 2.187 274 F HA -0.039 4.490 4.527 0.004 0.000 0.295 274 F C 1.989 177.784 175.800 -0.009 0.000 1.091 274 F CA 1.287 59.277 58.000 -0.016 0.000 1.308 274 F CB -0.261 38.719 39.000 -0.034 0.000 1.030 274 F HN 0.165 nan 8.300 nan 0.000 0.487 275 D N 0.252 120.763 120.400 0.185 0.000 2.178 275 D HA -0.105 4.538 4.640 0.004 0.000 0.201 275 D C 2.123 178.457 176.300 0.057 0.000 0.980 275 D CA 1.161 55.220 54.000 0.099 0.000 0.842 275 D CB -0.350 40.496 40.800 0.077 0.000 0.948 275 D HN 0.259 nan 8.370 nan 0.000 0.472 276 L N -0.023 121.226 121.223 0.044 0.000 2.591 276 L HA 0.091 4.434 4.340 0.004 0.000 0.228 276 L C 0.276 177.142 176.870 -0.006 0.000 1.133 276 L CA 0.070 54.920 54.840 0.017 0.000 0.880 276 L CB -0.240 41.828 42.059 0.016 0.000 1.033 276 L HN -0.070 nan 8.230 nan 0.000 0.450 277 K N -0.426 119.963 120.400 -0.018 0.000 3.150 277 K HA -0.174 4.148 4.320 0.004 0.000 0.267 277 K C 0.855 177.407 176.600 -0.080 0.000 1.028 277 K CA 0.401 56.657 56.287 -0.052 0.000 0.753 277 K CB -1.879 30.607 32.500 -0.023 0.000 1.288 277 K HN 0.190 nan 8.250 nan 0.000 0.473 278 S N -0.529 115.103 115.700 -0.112 0.000 2.524 278 S HA 0.004 4.476 4.470 0.004 0.000 0.216 278 S C 0.627 175.130 174.600 -0.163 0.000 0.987 278 S CA 0.514 58.650 58.200 -0.106 0.000 0.909 278 S CB 0.759 63.917 63.200 -0.069 0.000 0.781 278 S HN 0.507 nan 8.310 nan 0.000 0.521 279 T N 1.991 116.379 114.554 -0.277 0.000 2.900 279 T HA 0.459 4.811 4.350 0.004 0.000 0.303 279 T C -3.134 171.358 174.700 -0.347 0.000 1.142 279 T CA -1.946 59.956 62.100 -0.331 0.000 1.007 279 T CB 1.209 69.783 68.868 -0.489 0.000 1.156 279 T HN -0.249 nan 8.240 nan 0.000 0.490 280 P HA 0.150 nan 4.420 nan 0.000 0.266 280 P C 0.887 178.071 177.300 -0.194 0.000 1.195 280 P CA -0.349 62.679 63.100 -0.121 0.000 0.768 280 P CB 0.333 32.024 31.700 -0.014 0.000 0.838 281 I N 0.536 121.069 120.570 -0.063 0.000 2.439 281 I HA -0.040 4.132 4.170 0.004 0.000 0.251 281 I C 1.045 177.157 176.117 -0.009 0.000 1.139 281 I CA 1.611 62.958 61.300 0.077 0.000 1.438 281 I CB -0.824 37.238 38.000 0.104 0.000 1.085 281 I HN 0.389 nan 8.210 nan 0.000 0.427 282 E N -0.071 120.020 120.200 -0.181 0.000 2.299 282 E HA 0.373 4.725 4.350 0.004 0.000 0.265 282 E C -1.099 175.171 176.600 -0.550 0.000 0.911 282 E CA -0.900 55.292 56.400 -0.347 0.000 0.789 282 E CB 2.067 31.610 29.700 -0.262 0.000 1.246 282 E HN -0.170 nan 8.360 nan 0.000 0.427 283 F N 1.380 121.143 119.950 -0.313 0.000 2.443 283 F HA 0.107 4.636 4.527 0.004 0.000 0.353 283 F C 1.836 177.406 175.800 -0.383 0.000 1.101 283 F CA 0.140 57.979 58.000 -0.269 0.000 1.226 283 F CB 0.465 39.393 39.000 -0.120 0.000 1.140 283 F HN 0.413 nan 8.300 nan 0.000 0.557 284 H N -0.093 119.098 119.070 0.202 0.000 2.740 284 H HA 0.213 4.772 4.556 0.004 0.000 0.265 284 H C 0.310 175.668 175.328 0.051 0.000 0.978 284 H CA 0.623 56.730 56.048 0.097 0.000 1.198 284 H CB 0.654 30.447 29.762 0.053 0.000 1.467 284 H HN 0.496 nan 8.280 nan 0.000 0.511 285 S N -1.133 114.651 115.700 0.140 0.000 2.596 285 S HA 0.206 4.678 4.470 0.004 0.000 0.270 285 S C 0.176 174.841 174.600 0.109 0.000 1.155 285 S CA -0.741 57.484 58.200 0.043 0.000 0.827 285 S CB 0.649 63.864 63.200 0.026 0.000 1.130 285 S HN -0.181 nan 8.310 nan 0.000 0.467 286 F N 1.252 121.146 119.950 -0.094 0.000 2.216 286 F HA 0.009 4.539 4.527 0.004 0.000 0.300 286 F C 2.710 178.394 175.800 -0.193 0.000 1.085 286 F CA 1.515 59.408 58.000 -0.179 0.000 1.326 286 F CB -1.161 37.821 39.000 -0.029 0.000 1.027 286 F HN 0.732 nan 8.300 nan 0.000 0.497 287 Q N 0.825 120.735 119.800 0.184 0.000 2.226 287 Q HA -0.167 4.176 4.340 0.004 0.000 0.204 287 Q C 1.503 177.505 176.000 0.004 0.000 0.975 287 Q CA 1.626 57.520 55.803 0.152 0.000 0.866 287 Q CB -0.493 28.315 28.738 0.116 0.000 0.915 287 Q HN 0.231 nan 8.270 nan 0.000 0.440 288 D N -1.132 119.257 120.400 -0.017 0.000 2.218 288 D HA -0.104 4.538 4.640 0.004 0.000 0.204 288 D C 1.649 177.837 176.300 -0.188 0.000 0.976 288 D CA 1.018 55.015 54.000 -0.005 0.000 0.853 288 D CB 0.145 41.033 40.800 0.148 0.000 0.939 288 D HN 0.184 nan 8.370 nan 0.000 0.481 289 V N 0.901 120.513 119.914 -0.503 0.000 2.346 289 V HA -0.158 3.964 4.120 0.004 0.000 0.244 289 V C 2.176 177.942 176.094 -0.546 0.000 1.037 289 V CA 1.163 62.996 62.300 -0.780 0.000 1.029 289 V CB -0.474 30.730 31.823 -1.031 0.000 0.663 289 V HN 0.271 nan 8.190 nan 0.000 0.454 290 H N 0.172 119.032 119.070 -0.349 0.000 2.422 290 H HA -0.144 4.414 4.556 0.004 0.000 0.298 290 H C 2.133 177.016 175.328 -0.742 0.000 1.098 290 H CA 1.586 57.287 56.048 -0.579 0.000 1.315 290 H CB -0.328 29.260 29.762 -0.289 0.000 1.382 290 H HN 0.429 nan 8.280 nan 0.000 0.523 291 D N 0.814 121.058 120.400 -0.259 0.000 2.182 291 D HA -0.120 4.522 4.640 0.004 0.000 0.201 291 D C 2.411 178.626 176.300 -0.142 0.000 0.986 291 D CA 0.350 54.252 54.000 -0.164 0.000 0.847 291 D CB -0.281 40.491 40.800 -0.047 0.000 0.942 291 D HN 0.332 nan 8.370 nan 0.000 0.467 292 L N 0.046 121.187 121.223 -0.136 0.000 2.129 292 L HA -0.211 4.132 4.340 0.004 0.000 0.212 292 L C 1.981 178.993 176.870 0.237 0.000 1.087 292 L CA 1.222 56.114 54.840 0.087 0.000 0.757 292 L CB -0.535 41.537 42.059 0.022 0.000 0.896 292 L HN 0.264 nan 8.230 nan 0.000 0.434 293 Y N -2.869 117.542 120.300 0.185 0.000 2.507 293 Y HA 0.371 4.924 4.550 0.004 0.000 0.254 293 Y C 1.436 177.420 175.900 0.139 0.000 1.171 293 Y CA -0.716 57.506 58.100 0.205 0.000 1.238 293 Y CB -0.447 38.123 38.460 0.183 0.000 1.148 293 Y HN 0.073 nan 8.280 nan 0.000 0.525 294 E N 0.902 121.084 120.200 -0.030 0.000 2.799 294 E HA 0.238 4.591 4.350 0.004 0.000 0.298 294 E C 1.960 178.590 176.600 0.050 0.000 0.805 294 E CA 0.244 56.656 56.400 0.020 0.000 1.265 294 E CB -0.449 29.205 29.700 -0.077 0.000 2.052 294 E HN 0.302 nan 8.360 nan 0.000 0.541 295 G N 0.103 108.915 108.800 0.021 0.000 2.511 295 G HA2 0.289 4.251 3.960 0.004 0.000 0.217 295 G HA3 0.289 4.251 3.960 0.004 0.000 0.217 295 G C 0.669 175.604 174.900 0.059 0.000 1.133 295 G CA 0.601 45.724 45.100 0.038 0.000 0.792 295 G HN 0.588 nan 8.290 nan 0.000 0.539 296 G N -0.807 108.037 108.800 0.073 0.000 2.610 296 G HA2 -0.066 3.896 3.960 0.004 0.000 0.304 296 G HA3 -0.066 3.896 3.960 0.004 0.000 0.304 296 G C -0.743 174.216 174.900 0.098 0.000 1.309 296 G CA -0.249 44.919 45.100 0.115 0.000 0.906 296 G HN 0.814 nan 8.290 nan 0.000 0.521 297 I N -0.024 120.613 120.570 0.111 0.000 2.474 297 I HA 0.622 4.795 4.170 0.004 0.000 0.294 297 I C 0.089 176.237 176.117 0.051 0.000 1.005 297 I CA -1.148 60.199 61.300 0.078 0.000 1.113 297 I CB 1.238 39.298 38.000 0.100 0.000 1.289 297 I HN 0.536 nan 8.210 nan 0.000 0.436 298 K N 7.795 128.211 120.400 0.027 0.000 2.201 298 K HA 0.594 4.917 4.320 0.004 0.000 0.278 298 K C -1.224 175.391 176.600 0.024 0.000 1.027 298 K CA -0.377 55.930 56.287 0.033 0.000 0.909 298 K CB 1.410 33.908 32.500 -0.003 0.000 1.062 298 K HN 0.509 nan 8.250 nan 0.000 0.465 299 L N 3.447 124.718 121.223 0.079 0.000 2.327 299 L HA 0.492 4.834 4.340 0.004 0.000 0.258 299 L C -2.445 174.517 176.870 0.154 0.000 1.024 299 L CA -2.773 52.112 54.840 0.076 0.000 0.825 299 L CB 1.951 44.060 42.059 0.084 0.000 1.386 299 L HN 0.341 nan 8.230 nan 0.000 0.417 300 P HA 0.111 nan 4.420 nan 0.000 0.267 300 P C 0.088 177.425 177.300 0.061 0.000 1.200 300 P CA 0.021 63.197 63.100 0.127 0.000 0.772 300 P CB 0.568 32.306 31.700 0.063 0.000 0.855 301 R N 2.333 122.831 120.500 -0.003 0.000 2.113 301 R HA -0.200 4.142 4.340 0.004 0.000 0.244 301 R C 1.691 177.928 176.300 -0.105 0.000 1.142 301 R CA 2.174 58.154 56.100 -0.201 0.000 0.953 301 R CB -0.672 29.517 30.300 -0.185 0.000 0.860 301 R HN 0.681 nan 8.270 nan 0.000 0.438 302 D N 0.120 120.492 120.400 -0.046 0.000 2.264 302 D HA -0.099 4.544 4.640 0.004 0.000 0.208 302 D C 1.741 178.020 176.300 -0.034 0.000 0.966 302 D CA 0.878 54.856 54.000 -0.036 0.000 0.864 302 D CB -0.151 40.639 40.800 -0.017 0.000 0.933 302 D HN 0.119 nan 8.370 nan 0.000 0.499 303 V N 1.353 121.256 119.914 -0.018 0.000 2.379 303 V HA -0.187 3.935 4.120 0.004 0.000 0.245 303 V C 2.672 178.737 176.094 -0.049 0.000 1.044 303 V CA 0.816 63.108 62.300 -0.015 0.000 1.036 303 V CB -0.276 31.576 31.823 0.050 0.000 0.664 303 V HN 0.167 nan 8.190 nan 0.000 0.453 304 I N 0.320 120.859 120.570 -0.052 0.000 2.226 304 I HA -0.156 4.017 4.170 0.004 0.000 0.245 304 I C 2.480 178.554 176.117 -0.072 0.000 1.100 304 I CA 1.530 62.787 61.300 -0.071 0.000 1.374 304 I CB -1.329 36.616 38.000 -0.091 0.000 1.057 304 I HN 0.285 nan 8.210 nan 0.000 0.413 305 S N 0.274 115.931 115.700 -0.071 0.000 2.447 305 S HA -0.103 4.369 4.470 0.004 0.000 0.233 305 S C 1.945 176.515 174.600 -0.051 0.000 1.006 305 S CA 1.277 59.442 58.200 -0.058 0.000 0.957 305 S CB -0.205 62.961 63.200 -0.057 0.000 0.773 305 S HN 0.491 nan 8.310 nan 0.000 0.507 306 T N 1.803 116.321 114.554 -0.060 0.000 2.978 306 T HA 0.234 4.587 4.350 0.004 0.000 0.262 306 T C 1.619 176.276 174.700 -0.071 0.000 1.063 306 T CA 0.567 62.628 62.100 -0.065 0.000 1.140 306 T CB -0.075 68.746 68.868 -0.078 0.000 0.886 306 T HN 0.325 nan 8.240 nan 0.000 0.470 307 I N 0.349 120.870 120.570 -0.081 0.000 2.385 307 I HA 0.111 4.284 4.170 0.004 0.000 0.244 307 I C 2.236 178.348 176.117 -0.008 0.000 1.089 307 I CA 0.546 61.810 61.300 -0.061 0.000 1.410 307 I CB -0.224 37.712 38.000 -0.105 0.000 1.117 307 I HN 0.101 nan 8.210 nan 0.000 0.429 308 I N 2.334 122.897 120.570 -0.011 0.000 2.367 308 I HA -0.230 3.943 4.170 0.004 0.000 0.256 308 I C -0.456 175.664 176.117 0.004 0.000 1.132 308 I CA 1.542 62.846 61.300 0.007 0.000 1.397 308 I CB -0.553 37.441 38.000 -0.009 0.000 1.074 308 I HN 0.197 nan 8.210 nan 0.000 0.435 309 P HA 0.076 nan 4.420 nan 0.000 0.252 309 P C 0.254 177.551 177.300 -0.004 0.000 1.218 309 P CA 0.247 63.344 63.100 -0.006 0.000 0.807 309 P CB 0.136 31.829 31.700 -0.012 0.000 1.072 310 L N 3.530 124.751 121.223 -0.005 0.000 2.410 310 L HA 0.258 4.600 4.340 0.004 0.000 0.273 310 L C -1.838 175.029 176.870 -0.005 0.000 1.152 310 L CA -2.078 52.759 54.840 -0.006 0.000 0.855 310 L CB -0.129 41.923 42.059 -0.010 0.000 1.129 310 L HN -0.083 nan 8.230 nan 0.000 0.463 311 P HA 0.064 nan 4.420 nan 0.000 0.269 311 P C 0.795 178.083 177.300 -0.020 0.000 1.209 311 P CA -0.028 63.066 63.100 -0.010 0.000 0.776 311 P CB 1.750 33.447 31.700 -0.004 0.000 0.876 312 V N 1.552 121.447 119.914 -0.031 0.000 0.516 312 V HA -0.353 3.769 4.120 0.004 0.000 0.092 312 V C 2.255 178.309 176.094 -0.067 0.000 2.243 312 V CA 2.323 64.595 62.300 -0.048 0.000 3.573 312 V CB -2.084 29.714 31.823 -0.040 0.000 0.862 312 V HN 0.468 nan 8.190 nan 0.000 0.902 313 I N 1.426 121.968 120.570 -0.045 0.000 2.208 313 I HA -0.234 3.938 4.170 0.004 0.000 0.245 313 I C 2.564 178.655 176.117 -0.044 0.000 1.097 313 I CA 2.799 64.075 61.300 -0.040 0.000 1.363 313 I CB -1.232 36.781 38.000 0.023 0.000 1.051 313 I HN 0.839 nan 8.210 nan 0.000 0.413 314 K N 0.749 121.145 120.400 -0.007 0.000 2.360 314 K HA -0.135 4.187 4.320 0.004 0.000 0.201 314 K C 1.222 177.801 176.600 -0.035 0.000 1.046 314 K CA 1.054 57.352 56.287 0.018 0.000 0.945 314 K CB -0.164 32.345 32.500 0.014 0.000 0.750 314 K HN 0.278 nan 8.250 nan 0.000 0.464 315 E N 1.100 121.243 120.200 -0.094 0.000 2.478 315 E HA 0.026 4.378 4.350 0.004 0.000 0.194 315 E C 1.790 178.259 176.600 -0.218 0.000 1.045 315 E CA 0.368 56.699 56.400 -0.114 0.000 0.868 315 E CB 0.067 29.713 29.700 -0.091 0.000 0.885 315 E HN 0.431 nan 8.360 nan 0.000 0.505 316 L N -0.434 120.542 121.223 -0.412 0.000 2.418 316 L HA 0.014 4.357 4.340 0.004 0.000 0.218 316 L C 0.094 176.454 176.870 -0.850 0.000 1.125 316 L CA 0.626 55.027 54.840 -0.732 0.000 0.835 316 L CB -0.101 41.285 42.059 -1.122 0.000 0.953 316 L HN 0.030 nan 8.230 nan 0.000 0.454 317 Y N -1.624 118.575 120.300 -0.168 0.000 2.534 317 Y HA 0.518 5.070 4.550 0.004 0.000 0.345 317 Y C -0.051 175.791 175.900 -0.096 0.000 1.031 317 Y CA -1.336 56.646 58.100 -0.196 0.000 1.022 317 Y CB 0.986 39.281 38.460 -0.275 0.000 1.292 317 Y HN -0.217 nan 8.280 nan 0.000 0.459 318 R N 0.588 121.149 120.500 0.102 0.000 2.500 318 R HA 0.722 5.064 4.340 0.004 0.000 0.277 318 R C -0.506 175.837 176.300 0.071 0.000 1.026 318 R CA -0.548 55.594 56.100 0.070 0.000 1.058 318 R CB 1.783 32.120 30.300 0.062 0.000 1.078 318 R HN 0.793 nan 8.270 nan 0.000 0.509 319 T N -0.721 113.863 114.554 0.050 0.000 2.843 319 T HA 0.095 4.448 4.350 0.004 0.000 0.302 319 T C -0.514 174.203 174.700 0.029 0.000 1.232 319 T CA -0.784 61.337 62.100 0.035 0.000 1.009 319 T CB 1.288 70.169 68.868 0.022 0.000 1.254 319 T HN 0.716 nan 8.240 nan 0.000 0.504 320 D N 0.256 120.672 120.400 0.026 0.000 2.349 320 D HA 0.233 4.875 4.640 0.004 0.000 0.214 320 D C 1.455 177.761 176.300 0.010 0.000 1.063 320 D CA 0.801 54.817 54.000 0.026 0.000 0.847 320 D CB -0.307 40.517 40.800 0.041 0.000 0.933 320 D HN 1.143 nan 8.370 nan 0.000 0.513 321 G N 0.352 109.149 108.800 -0.004 0.000 2.184 321 G HA2 -0.369 3.593 3.960 0.004 0.000 0.264 321 G HA3 -0.369 3.593 3.960 0.004 0.000 0.264 321 G C 0.887 175.751 174.900 -0.060 0.000 0.975 321 G CA 0.759 45.845 45.100 -0.024 0.000 0.642 321 G HN 0.482 nan 8.290 nan 0.000 0.536 322 Q N -2.737 117.019 119.800 -0.073 0.000 2.589 322 Q HA 0.295 4.637 4.340 0.004 0.000 0.216 322 Q C 1.538 177.300 176.000 -0.396 0.000 0.774 322 Q CA 0.685 56.367 55.803 -0.201 0.000 0.909 322 Q CB 0.666 29.349 28.738 -0.092 0.000 1.283 322 Q HN 0.638 nan 8.270 nan 0.000 0.597 323 H N -1.193 117.875 119.070 -0.004 0.000 3.680 323 H HA 0.366 4.924 4.556 0.004 0.000 0.260 323 H C -0.426 174.898 175.328 -0.006 0.000 1.183 323 H CA -0.135 55.910 56.048 -0.006 0.000 1.159 323 H CB 1.578 31.337 29.762 -0.006 0.000 1.567 323 H HN -0.009 nan 8.280 nan 0.000 0.648 324 I N 2.046 122.673 120.570 0.095 0.000 2.412 324 I HA 0.280 4.453 4.170 0.004 0.000 0.296 324 I C -0.826 175.302 176.117 0.018 0.000 0.987 324 I CA -0.626 60.711 61.300 0.061 0.000 1.180 324 I CB 2.196 40.234 38.000 0.063 0.000 1.340 324 I HN -0.063 nan 8.210 nan 0.000 0.455 325 L N 6.334 127.559 121.223 0.003 0.000 2.381 325 L HA 0.512 4.855 4.340 0.004 0.000 0.274 325 L C -0.493 176.396 176.870 0.032 0.000 0.988 325 L CA -0.652 54.147 54.840 -0.068 0.000 0.824 325 L CB 1.969 43.861 42.059 -0.279 0.000 1.263 325 L HN 0.539 nan 8.230 nan 0.000 0.410 326 K N 3.454 123.900 120.400 0.077 0.000 2.413 326 K HA 0.513 4.835 4.320 0.004 0.000 0.257 326 K C -1.215 175.514 176.600 0.215 0.000 0.946 326 K CA -0.536 55.860 56.287 0.182 0.000 0.823 326 K CB 1.411 34.002 32.500 0.151 0.000 1.109 326 K HN 0.201 nan 8.250 nan 0.000 0.427 327 F N 4.300 124.422 119.950 0.287 0.000 2.380 327 F HA 0.321 4.850 4.527 0.004 0.000 0.325 327 F C -1.496 174.455 175.800 0.252 0.000 1.136 327 F CA -1.805 56.376 58.000 0.302 0.000 1.171 327 F CB 0.476 39.705 39.000 0.383 0.000 1.230 327 F HN 0.452 nan 8.300 nan 0.000 0.554 328 P HA 0.005 nan 4.420 nan 0.000 0.277 328 P C -1.309 176.136 177.300 0.242 0.000 1.240 328 P CA -0.591 62.631 63.100 0.203 0.000 0.798 328 P CB 0.729 32.446 31.700 0.029 0.000 0.979 329 Q N 2.820 122.655 119.800 0.060 0.000 2.262 329 Q HA 0.162 4.505 4.340 0.004 0.000 0.272 329 Q C -2.051 173.804 176.000 -0.242 0.000 1.076 329 Q CA -1.614 54.029 55.803 -0.267 0.000 0.905 329 Q CB -0.102 28.517 28.738 -0.200 0.000 1.182 329 Q HN 0.280 nan 8.270 nan 0.000 0.390 330 P HA -0.003 nan 4.420 nan 0.000 0.268 330 P C -0.426 176.719 177.300 -0.258 0.000 1.205 330 P CA 0.068 63.024 63.100 -0.241 0.000 0.771 330 P CB 0.637 32.061 31.700 -0.460 0.000 0.858 331 H N 0.831 119.727 119.070 -0.290 0.000 2.390 331 H HA -0.137 4.421 4.556 0.004 0.000 0.298 331 H C 1.774 176.886 175.328 -0.360 0.000 1.106 331 H CA 1.464 57.294 56.048 -0.363 0.000 1.297 331 H CB -0.629 28.770 29.762 -0.605 0.000 1.375 331 H HN 0.136 nan 8.280 nan 0.000 0.509 332 V N 1.019 120.784 119.914 -0.247 0.000 2.867 332 V HA -0.126 3.997 4.120 0.004 0.000 0.260 332 V C 1.657 177.710 176.094 -0.068 0.000 1.099 332 V CA 1.651 63.852 62.300 -0.165 0.000 1.122 332 V CB -0.312 31.453 31.823 -0.097 0.000 0.708 332 V HN 0.492 nan 8.190 nan 0.000 0.490 333 V N -3.666 116.175 119.914 -0.122 0.000 3.427 333 V HA 0.214 4.336 4.120 0.004 0.000 0.305 333 V C 1.703 177.748 176.094 -0.083 0.000 1.412 333 V CA 0.502 62.764 62.300 -0.063 0.000 1.086 333 V CB 0.084 31.871 31.823 -0.059 0.000 0.964 333 V HN 0.462 nan 8.190 nan 0.000 0.439 334 Q N 0.414 120.143 119.800 -0.119 0.000 2.226 334 Q HA -0.053 4.289 4.340 0.004 0.000 0.204 334 Q C 2.003 177.972 176.000 -0.051 0.000 0.975 334 Q CA 1.987 57.727 55.803 -0.105 0.000 0.866 334 Q CB 0.189 28.837 28.738 -0.150 0.000 0.915 334 Q HN 0.700 nan 8.270 nan 0.000 0.440 335 V N -1.450 118.446 119.914 -0.030 0.000 2.908 335 V HA 0.072 4.195 4.120 0.004 0.000 0.240 335 V C 0.527 176.623 176.094 0.003 0.000 1.117 335 V CA 0.445 62.740 62.300 -0.009 0.000 1.133 335 V CB 1.403 33.227 31.823 0.001 0.000 0.857 335 V HN 0.005 nan 8.190 nan 0.000 0.478 336 S N 0.085 115.793 115.700 0.013 0.000 2.672 336 S HA 0.299 4.771 4.470 0.004 0.000 0.291 336 S C 0.467 175.099 174.600 0.052 0.000 1.145 336 S CA -0.483 57.731 58.200 0.023 0.000 1.013 336 S CB 1.823 65.037 63.200 0.024 0.000 1.017 336 S HN 0.498 nan 8.310 nan 0.000 0.487 337 Q N 3.186 123.012 119.800 0.043 0.000 2.472 337 Q HA 0.076 4.419 4.340 0.004 0.000 0.208 337 Q C 1.077 177.210 176.000 0.223 0.000 0.958 337 Q CA 1.302 57.161 55.803 0.092 0.000 0.932 337 Q CB -0.091 28.597 28.738 -0.083 0.000 1.007 337 Q HN 0.635 nan 8.270 nan 0.000 0.508 338 S N -1.136 114.617 115.700 0.089 0.000 2.512 338 S HA 0.398 4.871 4.470 0.004 0.000 0.216 338 S C 1.905 176.363 174.600 -0.237 0.000 1.006 338 S CA -0.011 58.149 58.200 -0.066 0.000 0.915 338 S CB 0.441 63.598 63.200 -0.071 0.000 0.824 338 S HN 0.400 nan 8.310 nan 0.000 0.497 339 A N 2.713 125.504 122.820 -0.048 0.000 2.024 339 A HA -0.030 4.292 4.320 0.004 0.000 0.220 339 A C 1.959 179.532 177.584 -0.018 0.000 1.164 339 A CA 1.231 53.247 52.037 -0.035 0.000 0.643 339 A CB -1.383 17.642 19.000 0.042 0.000 0.806 339 A HN 0.943 nan 8.150 nan 0.000 0.451 340 W N -0.576 120.738 121.300 0.023 0.000 2.364 340 W HA -0.160 4.502 4.660 0.004 0.000 0.281 340 W C 1.355 177.888 176.519 0.023 0.000 1.219 340 W CA 1.215 58.576 57.345 0.026 0.000 1.220 340 W CB -1.009 28.443 29.460 -0.013 0.000 1.127 340 W HN 0.306 nan 8.180 nan 0.000 0.556 341 M N 1.644 120.690 119.600 -0.923 0.000 2.562 341 M HA -0.007 4.475 4.480 0.004 0.000 0.257 341 M C 1.060 177.167 176.300 -0.321 0.000 1.099 341 M CA 1.218 55.975 55.300 -0.904 0.000 1.099 341 M CB -0.666 31.239 32.600 -1.158 0.000 1.427 341 M HN -0.122 nan 8.290 nan 0.000 0.489 342 T N -2.178 112.279 114.554 -0.162 0.000 2.913 342 T HA 0.080 4.433 4.350 0.004 0.000 0.297 342 T C 0.553 175.307 174.700 0.089 0.000 1.029 342 T CA -0.633 61.451 62.100 -0.027 0.000 1.104 342 T CB 1.208 70.075 68.868 -0.002 0.000 0.964 342 T HN 0.032 nan 8.240 nan 0.000 0.532 343 D N 1.290 121.774 120.400 0.140 0.000 2.178 343 D HA -0.048 4.594 4.640 0.004 0.000 0.201 343 D C 1.926 178.378 176.300 0.252 0.000 0.980 343 D CA 1.121 55.278 54.000 0.260 0.000 0.842 343 D CB -0.087 40.873 40.800 0.267 0.000 0.948 343 D HN 0.734 nan 8.370 nan 0.000 0.472 344 E N 0.403 120.695 120.200 0.153 0.000 2.051 344 E HA -0.177 4.175 4.350 0.004 0.000 0.192 344 E C 1.902 178.573 176.600 0.119 0.000 0.991 344 E CA 1.033 57.503 56.400 0.116 0.000 0.799 344 E CB -0.130 29.615 29.700 0.074 0.000 0.748 344 E HN 0.182 nan 8.360 nan 0.000 0.449 345 E N -0.159 120.122 120.200 0.135 0.000 2.107 345 E HA -0.131 4.221 4.350 0.004 0.000 0.191 345 E C 1.676 178.376 176.600 0.166 0.000 0.982 345 E CA 0.635 57.120 56.400 0.141 0.000 0.809 345 E CB -0.359 29.436 29.700 0.159 0.000 0.756 345 E HN 0.284 nan 8.360 nan 0.000 0.459 346 F N 0.689 120.673 119.950 0.057 0.000 2.095 346 F HA -0.179 4.350 4.527 0.004 0.000 0.298 346 F C 1.968 177.777 175.800 0.015 0.000 1.104 346 F CA 2.045 60.071 58.000 0.043 0.000 1.232 346 F CB -0.660 38.373 39.000 0.055 0.000 0.987 346 F HN 0.103 nan 8.300 nan 0.000 0.475 347 A N 0.378 123.201 122.820 0.004 0.000 1.930 347 A HA -0.089 4.233 4.320 0.004 0.000 0.215 347 A C 2.392 179.874 177.584 -0.169 0.000 1.176 347 A CA 1.195 53.138 52.037 -0.157 0.000 0.632 347 A CB -0.803 18.203 19.000 0.011 0.000 0.819 347 A HN 0.447 nan 8.150 nan 0.000 0.445 348 R N 0.122 120.574 120.500 -0.081 0.000 2.105 348 R HA -0.148 4.195 4.340 0.004 0.000 0.239 348 R C 1.654 177.875 176.300 -0.131 0.000 1.135 348 R CA 1.674 57.720 56.100 -0.089 0.000 0.967 348 R CB -0.230 30.066 30.300 -0.007 0.000 0.861 348 R HN 0.656 nan 8.270 nan 0.000 0.442 349 E N -0.175 119.934 120.200 -0.152 0.000 2.409 349 E HA -0.153 4.200 4.350 0.004 0.000 0.198 349 E C 1.708 178.156 176.600 -0.253 0.000 1.024 349 E CA 0.829 57.083 56.400 -0.243 0.000 0.861 349 E CB 0.031 29.546 29.700 -0.307 0.000 0.788 349 E HN 0.453 nan 8.360 nan 0.000 0.521 350 M N 0.075 119.516 119.600 -0.266 0.000 2.492 350 M HA -0.002 4.481 4.480 0.004 0.000 0.262 350 M C 2.015 178.162 176.300 -0.256 0.000 1.090 350 M CA 1.041 56.186 55.300 -0.258 0.000 1.110 350 M CB 0.087 32.505 32.600 -0.302 0.000 1.407 350 M HN 0.199 nan 8.290 nan 0.000 0.470 351 I N -4.859 115.543 120.570 -0.279 0.000 4.327 351 I HA 0.443 4.616 4.170 0.004 0.000 0.331 351 I C 1.112 177.180 176.117 -0.082 0.000 1.348 351 I CA -0.074 61.045 61.300 -0.301 0.000 1.152 351 I CB 0.378 37.982 38.000 -0.660 0.000 1.151 351 I HN -0.022 nan 8.210 nan 0.000 0.410 352 A N 1.116 123.863 122.820 -0.122 0.000 2.622 352 A HA 0.721 5.043 4.320 0.004 0.000 0.283 352 A C 0.752 178.413 177.584 0.129 0.000 0.998 352 A CA 0.156 52.115 52.037 -0.130 0.000 0.985 352 A CB -0.380 18.533 19.000 -0.145 0.000 1.236 352 A HN 0.386 nan 8.150 nan 0.000 0.559 353 G N -1.092 107.646 108.800 -0.103 0.000 2.641 353 G HA2 0.396 4.359 3.960 0.004 0.000 0.239 353 G HA3 0.396 4.359 3.960 0.004 0.000 0.239 353 G C 0.966 175.760 174.900 -0.177 0.000 1.402 353 G CA 0.506 45.315 45.100 -0.485 0.000 1.046 353 G HN 0.400 nan 8.290 nan 0.000 0.565 354 V N 0.014 119.745 119.914 -0.305 0.000 2.626 354 V HA 0.038 4.160 4.120 0.004 0.000 0.252 354 V C 0.958 176.953 176.094 -0.165 0.000 1.067 354 V CA 1.671 63.892 62.300 -0.131 0.000 1.081 354 V CB -0.434 31.242 31.823 -0.245 0.000 0.686 354 V HN 0.628 nan 8.190 nan 0.000 0.468 355 N N 0.154 118.772 118.700 -0.136 0.000 2.791 355 N HA 0.266 5.009 4.740 0.004 0.000 0.265 355 N C -2.420 173.072 175.510 -0.030 0.000 1.580 355 N CA -0.900 52.168 53.050 0.029 0.000 0.809 355 N CB 1.509 40.064 38.487 0.114 0.000 1.178 355 N HN 0.279 nan 8.380 nan 0.000 0.499 356 P HA 0.158 nan 4.420 nan 0.000 0.256 356 P C 0.470 177.743 177.300 -0.046 0.000 1.384 356 P CA 0.034 63.072 63.100 -0.103 0.000 0.879 356 P CB -0.670 30.971 31.700 -0.098 0.000 1.403 357 C N -3.119 116.157 119.300 -0.042 0.000 2.969 357 C HA 0.493 4.955 4.460 0.004 0.000 0.260 357 C C 1.348 176.403 174.990 0.108 0.000 1.618 357 C CA -0.477 58.580 59.018 0.064 0.000 1.774 357 C CB -1.091 26.651 27.740 0.005 0.000 3.063 357 C HN 0.039 nan 8.230 nan 0.000 0.506 358 V N 0.499 120.449 119.914 0.060 0.000 3.484 358 V HA 0.232 4.354 4.120 0.004 0.000 0.252 358 V C 1.173 177.224 176.094 -0.072 0.000 1.282 358 V CA 0.172 62.468 62.300 -0.006 0.000 1.104 358 V CB -0.034 31.762 31.823 -0.045 0.000 0.868 358 V HN 0.671 nan 8.190 nan 0.000 0.457 359 I N 1.922 122.453 120.570 -0.064 0.000 2.880 359 I HA 0.024 4.196 4.170 0.004 0.000 0.296 359 I C 0.408 176.540 176.117 0.025 0.000 1.220 359 I CA 0.768 62.027 61.300 -0.067 0.000 1.435 359 I CB 0.220 38.133 38.000 -0.145 0.000 1.339 359 I HN 0.249 nan 8.210 nan 0.000 0.583 360 R N 4.303 124.843 120.500 0.067 0.000 2.837 360 R HA 0.501 4.844 4.340 0.004 0.000 0.271 360 R C -0.423 175.999 176.300 0.204 0.000 0.993 360 R CA -0.795 55.373 56.100 0.113 0.000 0.931 360 R CB 1.737 32.050 30.300 0.022 0.000 1.206 360 R HN 0.773 nan 8.270 nan 0.000 0.474 361 G N 0.873 109.750 108.800 0.128 0.000 2.483 361 G HA2 0.382 4.345 3.960 0.004 0.000 0.248 361 G HA3 0.382 4.345 3.960 0.004 0.000 0.248 361 G C -1.199 173.599 174.900 -0.170 0.000 1.248 361 G CA -0.230 44.767 45.100 -0.171 0.000 0.838 361 G HN 0.285 nan 8.290 nan 0.000 0.566 362 L N 0.566 121.629 121.223 -0.267 0.000 2.342 362 L HA 0.474 4.816 4.340 0.004 0.000 0.276 362 L C 0.592 177.395 176.870 -0.111 0.000 0.997 362 L CA -0.298 54.472 54.840 -0.116 0.000 0.838 362 L CB 1.532 43.575 42.059 -0.028 0.000 1.224 362 L HN 0.708 nan 8.230 nan 0.000 0.416 363 E N 3.556 123.715 120.200 -0.069 0.000 2.481 363 E HA 0.111 4.463 4.350 0.004 0.000 0.198 363 E C -0.524 176.075 176.600 -0.002 0.000 1.027 363 E CA 0.075 56.446 56.400 -0.048 0.000 0.900 363 E CB 0.701 30.370 29.700 -0.052 0.000 0.993 363 E HN 0.763 nan 8.360 nan 0.000 0.482 364 E N -0.104 120.108 120.200 0.021 0.000 2.429 364 E HA 0.520 4.873 4.350 0.004 0.000 0.276 364 E C -1.339 175.327 176.600 0.109 0.000 0.953 364 E CA -0.926 55.502 56.400 0.047 0.000 0.787 364 E CB 1.742 31.443 29.700 0.001 0.000 1.307 364 E HN -0.102 nan 8.360 nan 0.000 0.458 365 F N 1.490 121.426 119.950 -0.023 0.000 2.596 365 F HA 0.440 4.970 4.527 0.004 0.000 0.311 365 F C -2.452 173.338 175.800 -0.016 0.000 1.116 365 F CA -1.457 56.532 58.000 -0.019 0.000 0.957 365 F CB 1.820 40.812 39.000 -0.014 0.000 1.250 365 F HN 0.476 nan 8.300 nan 0.000 0.444 366 P HA 0.337 nan 4.420 nan 0.000 0.274 366 P C -2.915 173.988 177.300 -0.662 0.000 1.256 366 P CA -1.150 61.250 63.100 -1.166 0.000 0.795 366 P CB 0.283 31.584 31.700 -0.665 0.000 1.038 367 P HA 0.184 nan 4.420 nan 0.000 0.271 367 P C -0.417 176.733 177.300 -0.251 0.000 1.218 367 P CA 0.087 62.994 63.100 -0.323 0.000 0.780 367 P CB 0.991 32.538 31.700 -0.255 0.000 0.901 368 K N 0.626 120.924 120.400 -0.170 0.000 2.185 368 K HA 0.579 4.901 4.320 0.004 0.000 0.240 368 K C -0.003 176.525 176.600 -0.120 0.000 0.983 368 K CA -0.733 55.474 56.287 -0.134 0.000 0.873 368 K CB 1.361 33.811 32.500 -0.085 0.000 1.118 368 K HN 0.364 nan 8.250 nan 0.000 0.441 369 S N 0.221 115.868 115.700 -0.088 0.000 2.526 369 S HA 0.303 4.775 4.470 0.004 0.000 0.293 369 S C -0.441 174.176 174.600 0.029 0.000 1.092 369 S CA -0.711 57.472 58.200 -0.028 0.000 0.980 369 S CB 0.983 64.166 63.200 -0.029 0.000 1.048 369 S HN 0.583 nan 8.310 nan 0.000 0.483 370 N N 2.270 121.006 118.700 0.060 0.000 2.270 370 N HA 0.356 5.098 4.740 0.004 0.000 0.198 370 N C -0.340 175.226 175.510 0.093 0.000 1.117 370 N CA 0.048 53.136 53.050 0.063 0.000 0.845 370 N CB 0.008 38.528 38.487 0.055 0.000 0.980 370 N HN 0.534 nan 8.380 nan 0.000 0.486 371 L N 0.032 121.329 121.223 0.124 0.000 2.418 371 L HA 0.191 4.533 4.340 0.004 0.000 0.265 371 L C 0.384 177.383 176.870 0.214 0.000 1.143 371 L CA -0.646 54.298 54.840 0.174 0.000 0.809 371 L CB 0.445 42.578 42.059 0.123 0.000 1.124 371 L HN 0.038 nan 8.230 nan 0.000 0.456 372 D N 3.371 123.926 120.400 0.257 0.000 2.346 372 D HA 0.060 4.702 4.640 0.004 0.000 0.260 372 D C -1.439 174.965 176.300 0.172 0.000 1.252 372 D CA -1.791 52.306 54.000 0.162 0.000 0.895 372 D CB 1.150 41.998 40.800 0.081 0.000 1.097 372 D HN 0.211 nan 8.370 nan 0.000 0.489 373 P HA -0.098 nan 4.420 nan 0.000 0.226 373 P C 0.918 178.251 177.300 0.054 0.000 1.153 373 P CA 0.515 63.685 63.100 0.118 0.000 0.777 373 P CB 0.234 31.988 31.700 0.090 0.000 0.794 374 A N -0.066 122.761 122.820 0.012 0.000 1.972 374 A HA -0.101 4.221 4.320 0.004 0.000 0.219 374 A C 2.232 179.763 177.584 -0.089 0.000 1.169 374 A CA 1.157 53.178 52.037 -0.026 0.000 0.635 374 A CB -1.226 17.756 19.000 -0.029 0.000 0.810 374 A HN 0.176 nan 8.150 nan 0.000 0.446 375 I N -2.983 117.475 120.570 -0.187 0.000 2.628 375 I HA -0.069 4.104 4.170 0.004 0.000 0.255 375 I C 1.544 177.374 176.117 -0.478 0.000 1.119 375 I CA 0.864 61.904 61.300 -0.434 0.000 1.448 375 I CB -0.025 37.484 38.000 -0.818 0.000 1.133 375 I HN 0.348 nan 8.210 nan 0.000 0.438 376 Y N 1.051 121.367 120.300 0.026 0.000 2.458 376 Y HA 0.487 5.039 4.550 0.004 0.000 0.256 376 Y C 1.184 177.135 175.900 0.085 0.000 1.159 376 Y CA -0.008 58.114 58.100 0.037 0.000 1.261 376 Y CB -0.063 38.418 38.460 0.035 0.000 1.119 376 Y HN 0.165 nan 8.280 nan 0.000 0.524 377 G N 0.594 109.500 108.800 0.176 0.000 2.756 377 G HA2 -0.239 3.723 3.960 0.004 0.000 0.678 377 G HA3 -0.239 3.723 3.960 0.004 0.000 0.678 377 G C -1.040 173.958 174.900 0.163 0.000 1.349 377 G CA -0.697 44.501 45.100 0.162 0.000 0.847 377 G HN 0.153 nan 8.290 nan 0.000 0.548 378 D N 0.168 120.638 120.400 0.117 0.000 2.581 378 D HA 0.133 4.775 4.640 0.004 0.000 0.238 378 D C 1.434 177.807 176.300 0.122 0.000 1.145 378 D CA 0.392 54.449 54.000 0.095 0.000 0.866 378 D CB 0.621 41.456 40.800 0.059 0.000 1.151 378 D HN 0.362 nan 8.370 nan 0.000 0.500 379 Q N 1.666 121.532 119.800 0.111 0.000 2.220 379 Q HA 0.047 4.390 4.340 0.004 0.000 0.205 379 Q C 0.238 176.244 176.000 0.010 0.000 0.865 379 Q CA -0.076 55.796 55.803 0.114 0.000 0.960 379 Q CB -0.083 28.744 28.738 0.149 0.000 1.097 379 Q HN 0.545 nan 8.270 nan 0.000 0.493 380 S N -0.129 115.573 115.700 0.003 0.000 2.562 380 S HA 0.190 4.662 4.470 0.004 0.000 0.281 380 S C 0.396 174.959 174.600 -0.061 0.000 1.333 380 S CA -0.457 57.718 58.200 -0.042 0.000 1.052 380 S CB 1.503 64.689 63.200 -0.023 0.000 0.884 380 S HN 0.122 nan 8.310 nan 0.000 0.506 381 S N 1.492 117.121 115.700 -0.117 0.000 2.564 381 S HA 0.237 4.709 4.470 0.004 0.000 0.278 381 S C 0.714 175.279 174.600 -0.058 0.000 1.333 381 S CA -0.647 57.482 58.200 -0.119 0.000 1.048 381 S CB 0.211 63.284 63.200 -0.211 0.000 0.900 381 S HN 0.697 nan 8.310 nan 0.000 0.505 382 K N 3.380 123.772 120.400 -0.014 0.000 2.387 382 K HA 0.303 4.625 4.320 0.004 0.000 0.198 382 K C -0.123 176.505 176.600 0.047 0.000 1.022 382 K CA 0.048 56.346 56.287 0.019 0.000 1.128 382 K CB -0.149 32.370 32.500 0.032 0.000 0.853 382 K HN 0.622 nan 8.250 nan 0.000 0.523 383 I N 2.664 123.268 120.570 0.057 0.000 2.452 383 I HA -0.019 4.153 4.170 0.004 0.000 0.287 383 I C 0.689 176.946 176.117 0.233 0.000 1.079 383 I CA -0.090 61.299 61.300 0.149 0.000 1.387 383 I CB 0.769 38.906 38.000 0.228 0.000 1.404 383 I HN -0.022 nan 8.210 nan 0.000 0.522 384 T N 2.705 117.371 114.554 0.188 0.000 2.799 384 T HA 0.501 4.853 4.350 0.004 0.000 0.286 384 T C 1.002 175.781 174.700 0.131 0.000 0.973 384 T CA -0.492 61.716 62.100 0.181 0.000 1.035 384 T CB 1.946 70.865 68.868 0.085 0.000 0.932 384 T HN 0.648 nan 8.240 nan 0.000 0.469 385 A N 3.161 126.044 122.820 0.105 0.000 1.908 385 A HA -0.140 4.182 4.320 0.004 0.000 0.218 385 A C 1.966 179.462 177.584 -0.146 0.000 1.181 385 A CA 1.871 53.789 52.037 -0.198 0.000 0.627 385 A CB -0.952 17.925 19.000 -0.205 0.000 0.818 385 A HN 0.986 nan 8.150 nan 0.000 0.445 386 D N 0.354 120.715 120.400 -0.064 0.000 2.378 386 D HA -0.105 4.538 4.640 0.004 0.000 0.222 386 D C 1.621 177.884 176.300 -0.061 0.000 0.980 386 D CA 1.334 55.297 54.000 -0.062 0.000 0.907 386 D CB -0.741 40.039 40.800 -0.033 0.000 0.899 386 D HN 0.532 nan 8.370 nan 0.000 0.527 387 S N -0.576 115.093 115.700 -0.052 0.000 2.548 387 S HA 0.127 4.599 4.470 0.004 0.000 0.215 387 S C 0.838 175.391 174.600 -0.077 0.000 0.976 387 S CA -0.627 57.544 58.200 -0.048 0.000 0.908 387 S CB -0.388 62.802 63.200 -0.016 0.000 0.781 387 S HN 0.187 nan 8.310 nan 0.000 0.519 388 L N 2.034 123.191 121.223 -0.110 0.000 2.357 388 L HA 0.499 4.841 4.340 0.004 0.000 0.273 388 L C -0.169 176.602 176.870 -0.166 0.000 1.080 388 L CA -0.655 54.101 54.840 -0.140 0.000 0.803 388 L CB 0.620 42.569 42.059 -0.183 0.000 1.174 388 L HN 0.098 nan 8.230 nan 0.000 0.443 389 D N 3.512 123.810 120.400 -0.170 0.000 2.443 389 D HA 0.259 4.901 4.640 0.004 0.000 0.221 389 D C -0.145 175.986 176.300 -0.282 0.000 1.097 389 D CA -0.215 53.676 54.000 -0.182 0.000 0.865 389 D CB 0.997 41.713 40.800 -0.140 0.000 1.034 389 D HN 0.397 nan 8.370 nan 0.000 0.511 390 L N 3.083 124.063 121.223 -0.405 0.000 3.034 390 L HA 0.194 4.536 4.340 0.004 0.000 0.245 390 L C 0.032 176.511 176.870 -0.652 0.000 1.295 390 L CA -0.427 53.873 54.840 -0.900 0.000 1.068 390 L CB -0.058 41.445 42.059 -0.926 0.000 1.426 390 L HN 0.223 nan 8.230 nan 0.000 0.531 391 D N 1.516 121.767 120.400 -0.248 0.000 2.751 391 D HA -0.216 4.426 4.640 0.004 0.000 0.233 391 D C 1.338 177.697 176.300 0.098 0.000 1.149 391 D CA 1.374 55.379 54.000 0.009 0.000 0.682 391 D CB -1.004 39.913 40.800 0.195 0.000 1.068 391 D HN 0.772 nan 8.370 nan 0.000 0.429 392 G N -1.878 106.923 108.800 0.002 0.000 2.213 392 G HA2 -0.360 3.602 3.960 0.004 0.000 0.236 392 G HA3 -0.360 3.602 3.960 0.004 0.000 0.236 392 G C 0.182 175.055 174.900 -0.044 0.000 0.991 392 G CA 0.117 45.207 45.100 -0.017 0.000 0.629 392 G HN 0.392 nan 8.290 nan 0.000 0.517 393 Y N 2.478 122.699 120.300 -0.132 0.000 2.336 393 Y HA 0.488 5.039 4.550 0.002 0.000 0.331 393 Y C 1.603 177.424 175.900 -0.132 0.000 1.211 393 Y CA 0.390 58.434 58.100 -0.093 0.000 1.346 393 Y CB 0.860 39.293 38.460 -0.046 0.000 1.271 393 Y HN 0.298 nan 8.280 nan 0.000 0.538 394 T N -0.619 113.952 114.554 0.028 0.000 2.874 394 T HA 0.181 4.533 4.350 0.004 0.000 0.281 394 T C 1.104 175.799 174.700 -0.007 0.000 0.994 394 T CA -0.855 61.232 62.100 -0.021 0.000 1.015 394 T CB 0.856 69.708 68.868 -0.026 0.000 1.028 394 T HN 0.718 nan 8.240 nan 0.000 0.523 395 M N 0.889 120.448 119.600 -0.069 0.000 2.108 395 M HA -0.067 4.415 4.480 0.004 0.000 0.261 395 M C 1.431 177.721 176.300 -0.017 0.000 1.066 395 M CA 1.752 56.993 55.300 -0.098 0.000 1.107 395 M CB -1.233 31.261 32.600 -0.177 0.000 1.356 395 M HN 0.706 nan 8.290 nan 0.000 0.406 396 D N 0.033 120.434 120.400 0.003 0.000 2.144 396 D HA -0.156 4.486 4.640 0.004 0.000 0.199 396 D C 1.935 178.266 176.300 0.053 0.000 0.984 396 D CA 1.470 55.486 54.000 0.025 0.000 0.834 396 D CB -0.246 40.565 40.800 0.018 0.000 0.955 396 D HN 0.588 nan 8.370 nan 0.000 0.465 397 E N 0.623 120.872 120.200 0.081 0.000 2.072 397 E HA -0.086 4.266 4.350 0.004 0.000 0.191 397 E C 2.131 178.872 176.600 0.235 0.000 0.985 397 E CA 0.915 57.407 56.400 0.154 0.000 0.801 397 E CB -0.024 29.776 29.700 0.165 0.000 0.750 397 E HN 0.175 nan 8.360 nan 0.000 0.452 398 A N 1.249 124.206 122.820 0.229 0.000 1.902 398 A HA -0.152 4.170 4.320 0.004 0.000 0.217 398 A C 2.198 179.830 177.584 0.079 0.000 1.181 398 A CA 1.026 53.182 52.037 0.198 0.000 0.623 398 A CB -0.607 18.504 19.000 0.185 0.000 0.818 398 A HN 0.113 nan 8.150 nan 0.000 0.443 399 L N -0.833 120.418 121.223 0.047 0.000 2.017 399 L HA -0.118 4.224 4.340 0.004 0.000 0.208 399 L C 2.846 179.715 176.870 -0.003 0.000 1.073 399 L CA 1.221 56.064 54.840 0.006 0.000 0.745 399 L CB -0.813 41.259 42.059 0.022 0.000 0.894 399 L HN 0.488 nan 8.230 nan 0.000 0.432 400 G N -0.667 108.149 108.800 0.028 0.000 2.422 400 G HA2 -0.235 3.727 3.960 0.004 0.000 0.218 400 G HA3 -0.235 3.727 3.960 0.004 0.000 0.218 400 G C 1.628 176.544 174.900 0.026 0.000 1.140 400 G CA 0.902 46.017 45.100 0.024 0.000 0.775 400 G HN 0.500 nan 8.290 nan 0.000 0.545 401 S N -0.382 115.348 115.700 0.049 0.000 2.593 401 S HA 0.165 4.637 4.470 0.004 0.000 0.217 401 S C 1.063 175.660 174.600 -0.005 0.000 0.966 401 S CA 0.032 58.261 58.200 0.048 0.000 0.914 401 S CB 0.152 63.420 63.200 0.114 0.000 0.776 401 S HN 0.217 nan 8.310 nan 0.000 0.523 402 R N 0.547 121.018 120.500 -0.049 0.000 3.332 402 R HA -0.119 4.224 4.340 0.004 0.000 0.263 402 R C 0.042 176.250 176.300 -0.153 0.000 1.053 402 R CA 0.611 56.633 56.100 -0.129 0.000 0.705 402 R CB -2.559 27.701 30.300 -0.066 0.000 1.166 402 R HN 0.629 nan 8.270 nan 0.000 0.427 403 R N -0.574 119.832 120.500 -0.157 0.000 2.397 403 R HA 0.211 4.553 4.340 0.004 0.000 0.241 403 R C 0.338 176.566 176.300 -0.119 0.000 0.914 403 R CA -0.310 55.694 56.100 -0.160 0.000 1.071 403 R CB 0.461 30.533 30.300 -0.380 0.000 1.116 403 R HN -0.057 nan 8.270 nan 0.000 0.524 404 L N 0.966 122.024 121.223 -0.274 0.000 2.307 404 L HA 0.467 4.809 4.340 0.004 0.000 0.284 404 L C -1.023 175.525 176.870 -0.536 0.000 1.023 404 L CA -0.191 54.558 54.840 -0.152 0.000 0.810 404 L CB 0.801 42.844 42.059 -0.026 0.000 1.231 404 L HN -0.188 nan 8.230 nan 0.000 0.423 405 F N 4.159 124.123 119.950 0.023 0.000 2.664 405 F HA 0.731 5.259 4.527 0.003 0.000 0.329 405 F C -0.125 175.683 175.800 0.013 0.000 1.090 405 F CA -0.728 57.268 58.000 -0.008 0.000 0.978 405 F CB 1.878 40.841 39.000 -0.063 0.000 1.378 405 F HN 0.340 nan 8.300 nan 0.000 0.495 406 M N 2.024 121.726 119.600 0.171 0.000 2.413 406 M HA 0.540 5.022 4.480 0.004 0.000 0.287 406 M C -2.369 173.923 176.300 -0.013 0.000 1.186 406 M CA -0.881 54.464 55.300 0.076 0.000 0.927 406 M CB 2.146 34.774 32.600 0.047 0.000 1.715 406 M HN 0.580 nan 8.290 nan 0.000 0.478 407 L N 4.231 125.418 121.223 -0.060 0.000 2.297 407 L HA 0.493 4.835 4.340 0.004 0.000 0.277 407 L C -1.289 175.426 176.870 -0.258 0.000 1.040 407 L CA 0.265 54.984 54.840 -0.202 0.000 0.867 407 L CB 0.728 42.687 42.059 -0.166 0.000 1.244 407 L HN 0.628 nan 8.230 nan 0.000 0.433 408 D N 3.273 123.466 120.400 -0.345 0.000 2.443 408 D HA 0.179 4.821 4.640 0.004 0.000 0.221 408 D C -0.386 175.726 176.300 -0.313 0.000 1.097 408 D CA 0.018 53.879 54.000 -0.231 0.000 0.865 408 D CB 0.488 41.220 40.800 -0.113 0.000 1.034 408 D HN 0.425 nan 8.370 nan 0.000 0.511 409 Y N 2.069 122.414 120.300 0.076 0.000 2.555 409 Y HA 0.091 4.643 4.550 0.004 0.000 0.259 409 Y C 1.873 177.902 175.900 0.215 0.000 1.179 409 Y CA -0.352 57.837 58.100 0.149 0.000 1.230 409 Y CB -0.163 38.358 38.460 0.101 0.000 1.146 409 Y HN 0.621 nan 8.280 nan 0.000 0.526 410 H N 0.640 119.819 119.070 0.182 0.000 2.270 410 H HA -0.136 4.423 4.556 0.004 0.000 0.299 410 H C 0.770 176.165 175.328 0.112 0.000 1.077 410 H CA 2.289 58.416 56.048 0.131 0.000 1.294 410 H CB 0.162 29.959 29.762 0.058 0.000 1.371 410 H HN 0.228 nan 8.280 nan 0.000 0.491 411 D N 0.269 120.816 120.400 0.244 0.000 2.219 411 D HA -0.052 4.590 4.640 0.004 0.000 0.205 411 D C 2.501 178.859 176.300 0.097 0.000 0.970 411 D CA 0.581 54.660 54.000 0.132 0.000 0.851 411 D CB -0.115 40.778 40.800 0.155 0.000 0.943 411 D HN 0.442 nan 8.370 nan 0.000 0.488 412 I N -0.566 120.119 120.570 0.191 0.000 2.252 412 I HA -0.218 3.954 4.170 0.004 0.000 0.245 412 I C 1.638 177.818 176.117 0.106 0.000 1.102 412 I CA 0.876 62.297 61.300 0.201 0.000 1.385 412 I CB -0.037 38.170 38.000 0.345 0.000 1.064 412 I HN -0.089 nan 8.210 nan 0.000 0.414 413 F N -0.740 119.274 119.950 0.107 0.000 2.530 413 F HA -0.032 4.497 4.527 0.004 0.000 0.292 413 F C 2.279 178.076 175.800 -0.005 0.000 1.109 413 F CA 0.466 58.514 58.000 0.081 0.000 1.450 413 F CB -0.310 38.730 39.000 0.067 0.000 1.114 413 F HN -0.022 nan 8.300 nan 0.000 0.560 414 M N 1.475 121.062 119.600 -0.022 0.000 2.089 414 M HA -0.157 4.325 4.480 0.004 0.000 0.257 414 M C -1.079 175.056 176.300 -0.275 0.000 1.071 414 M CA 2.234 57.372 55.300 -0.271 0.000 1.096 414 M CB -1.722 30.508 32.600 -0.618 0.000 1.330 414 M HN -0.180 nan 8.290 nan 0.000 0.403 415 P HA -0.125 nan 4.420 nan 0.000 0.221 415 P C 0.457 177.648 177.300 -0.180 0.000 1.145 415 P CA 1.388 64.425 63.100 -0.105 0.000 0.795 415 P CB -0.192 31.480 31.700 -0.047 0.000 0.775 416 Y N -2.636 117.627 120.300 -0.060 0.000 2.467 416 Y HA 0.065 4.617 4.550 0.004 0.000 0.250 416 Y C 2.047 177.914 175.900 -0.055 0.000 1.155 416 Y CA -0.030 58.017 58.100 -0.089 0.000 1.249 416 Y CB -0.254 38.138 38.460 -0.114 0.000 1.146 416 Y HN -0.292 nan 8.280 nan 0.000 0.524 417 V N 0.302 120.274 119.914 0.096 0.000 2.295 417 V HA -0.323 3.799 4.120 0.004 0.000 0.246 417 V C 2.524 178.622 176.094 0.006 0.000 1.049 417 V CA 2.240 64.578 62.300 0.064 0.000 1.024 417 V CB -0.415 31.420 31.823 0.020 0.000 0.648 417 V HN 0.334 nan 8.190 nan 0.000 0.447 418 R N 0.385 120.875 120.500 -0.017 0.000 2.080 418 R HA -0.242 4.101 4.340 0.004 0.000 0.236 418 R C 2.541 178.816 176.300 -0.042 0.000 1.137 418 R CA 2.199 58.279 56.100 -0.034 0.000 0.943 418 R CB -0.314 29.968 30.300 -0.031 0.000 0.846 418 R HN 0.798 nan 8.270 nan 0.000 0.431 419 Q N -0.120 119.619 119.800 -0.102 0.000 2.119 419 Q HA -0.143 4.199 4.340 0.004 0.000 0.201 419 Q C 2.099 178.096 176.000 -0.006 0.000 0.972 419 Q CA 1.458 57.175 55.803 -0.144 0.000 0.847 419 Q CB -0.291 28.162 28.738 -0.475 0.000 0.903 419 Q HN 0.441 nan 8.270 nan 0.000 0.433 420 I N 1.755 122.340 120.570 0.025 0.000 2.252 420 I HA -0.228 3.944 4.170 0.004 0.000 0.245 420 I C 1.457 177.639 176.117 0.108 0.000 1.102 420 I CA 1.005 62.399 61.300 0.158 0.000 1.385 420 I CB -0.339 37.763 38.000 0.170 0.000 1.064 420 I HN 0.241 nan 8.210 nan 0.000 0.414 421 N N 0.472 119.199 118.700 0.046 0.000 2.520 421 N HA -0.137 4.606 4.740 0.004 0.000 0.185 421 N C 1.650 177.175 175.510 0.024 0.000 1.068 421 N CA 0.693 53.750 53.050 0.012 0.000 0.911 421 N CB -0.152 38.311 38.487 -0.040 0.000 0.961 421 N HN 0.354 nan 8.380 nan 0.000 0.446 422 Q N 0.088 119.917 119.800 0.048 0.000 2.435 422 Q HA 0.114 4.456 4.340 0.004 0.000 0.207 422 Q C 0.378 176.419 176.000 0.067 0.000 0.956 422 Q CA 0.170 56.005 55.803 0.052 0.000 0.917 422 Q CB 0.172 28.948 28.738 0.063 0.000 0.997 422 Q HN 0.425 nan 8.270 nan 0.000 0.497 423 L N 1.847 123.124 121.223 0.090 0.000 2.436 423 L HA 0.105 4.447 4.340 0.004 0.000 0.265 423 L C 0.610 177.505 176.870 0.043 0.000 1.168 423 L CA -0.459 54.427 54.840 0.076 0.000 0.815 423 L CB 0.226 42.344 42.059 0.099 0.000 1.109 423 L HN -0.014 nan 8.230 nan 0.000 0.462 424 N N 0.633 119.350 118.700 0.027 0.000 2.518 424 N HA 0.019 4.761 4.740 0.004 0.000 0.266 424 N C 0.494 176.011 175.510 0.011 0.000 1.196 424 N CA 0.068 53.127 53.050 0.016 0.000 0.947 424 N CB 1.283 39.775 38.487 0.008 0.000 1.098 424 N HN 0.639 nan 8.380 nan 0.000 0.450 425 S N -1.229 114.476 115.700 0.008 0.000 3.521 425 S HA -0.193 4.280 4.470 0.004 0.000 0.328 425 S C -0.321 174.283 174.600 0.006 0.000 1.165 425 S CA 0.947 59.148 58.200 0.001 0.000 0.941 425 S CB -1.207 61.986 63.200 -0.012 0.000 0.951 425 S HN 0.917 nan 8.310 nan 0.000 0.539 426 A N 0.610 123.442 122.820 0.020 0.000 2.375 426 A HA 0.734 5.056 4.320 0.004 0.000 0.295 426 A C -0.524 177.075 177.584 0.025 0.000 1.066 426 A CA -0.667 51.389 52.037 0.032 0.000 0.722 426 A CB 1.269 20.304 19.000 0.059 0.000 1.206 426 A HN 0.056 nan 8.150 nan 0.000 0.435 427 K N 1.208 121.620 120.400 0.019 0.000 2.553 427 K HA 0.690 5.013 4.320 0.004 0.000 0.250 427 K C -1.059 175.522 176.600 -0.033 0.000 0.953 427 K CA -0.300 55.967 56.287 -0.032 0.000 0.800 427 K CB 2.023 34.492 32.500 -0.053 0.000 1.243 427 K HN 0.754 nan 8.250 nan 0.000 0.435 428 T N 0.995 115.481 114.554 -0.113 0.000 2.838 428 T HA 0.742 5.094 4.350 0.004 0.000 0.292 428 T C -1.530 172.994 174.700 -0.295 0.000 1.113 428 T CA -0.412 61.635 62.100 -0.089 0.000 1.008 428 T CB 0.817 69.711 68.868 0.043 0.000 1.259 428 T HN 0.338 nan 8.240 nan 0.000 0.520 429 Y N -0.008 120.226 120.300 -0.110 0.000 2.570 429 Y HA 0.700 5.253 4.550 0.004 0.000 0.345 429 Y C 0.290 176.136 175.900 -0.090 0.000 1.014 429 Y CA -1.093 56.931 58.100 -0.126 0.000 1.063 429 Y CB 1.940 40.278 38.460 -0.204 0.000 1.272 429 Y HN 0.770 nan 8.280 nan 0.000 0.477 430 A N 1.606 124.508 122.820 0.136 0.000 2.279 430 A HA 0.539 4.861 4.320 0.004 0.000 0.306 430 A C 0.030 177.685 177.584 0.119 0.000 1.300 430 A CA -0.365 51.724 52.037 0.087 0.000 0.925 430 A CB -0.598 18.382 19.000 -0.034 0.000 1.152 430 A HN 0.682 nan 8.150 nan 0.000 0.544 431 T N 0.455 115.076 114.554 0.113 0.000 2.943 431 T HA 0.725 5.077 4.350 0.004 0.000 0.284 431 T C -0.206 174.609 174.700 0.192 0.000 1.015 431 T CA -0.793 61.393 62.100 0.142 0.000 1.042 431 T CB 1.319 70.258 68.868 0.118 0.000 1.055 431 T HN 0.726 nan 8.240 nan 0.000 0.500 432 R N 0.911 121.502 120.500 0.152 0.000 2.533 432 R HA 0.497 4.840 4.340 0.004 0.000 0.288 432 R C -1.458 174.919 176.300 0.128 0.000 1.039 432 R CA -0.477 55.695 56.100 0.119 0.000 0.909 432 R CB 1.968 32.325 30.300 0.095 0.000 1.195 432 R HN 0.837 nan 8.270 nan 0.000 0.438 433 T N 5.353 119.982 114.554 0.124 0.000 2.807 433 T HA 0.455 4.807 4.350 0.004 0.000 0.279 433 T C -0.203 174.599 174.700 0.169 0.000 0.993 433 T CA -0.611 61.600 62.100 0.185 0.000 0.970 433 T CB 0.916 69.914 68.868 0.217 0.000 0.950 433 T HN 0.307 nan 8.240 nan 0.000 0.441 434 I N 4.138 124.841 120.570 0.220 0.000 2.353 434 I HA 0.465 4.637 4.170 0.004 0.000 0.293 434 I C -0.223 176.031 176.117 0.229 0.000 0.992 434 I CA -0.829 60.602 61.300 0.217 0.000 1.268 434 I CB 0.932 39.080 38.000 0.247 0.000 1.387 434 I HN 0.498 nan 8.210 nan 0.000 0.478 435 L N 6.040 127.395 121.223 0.221 0.000 2.354 435 L HA 0.523 4.865 4.340 0.004 0.000 0.269 435 L C -0.812 176.237 176.870 0.297 0.000 1.005 435 L CA -0.614 54.361 54.840 0.226 0.000 0.819 435 L CB 2.352 44.498 42.059 0.145 0.000 1.311 435 L HN 0.350 nan 8.230 nan 0.000 0.423 436 F N 2.929 122.935 119.950 0.093 0.000 2.507 436 F HA 0.569 5.098 4.527 0.003 0.000 0.325 436 F C -0.839 174.985 175.800 0.039 0.000 1.116 436 F CA -1.012 57.022 58.000 0.057 0.000 0.930 436 F CB 1.615 40.606 39.000 -0.015 0.000 1.146 436 F HN 0.266 nan 8.300 nan 0.000 0.447 437 L N 7.611 128.430 121.223 -0.673 0.000 2.295 437 L HA 0.426 4.768 4.340 0.004 0.000 0.288 437 L C -0.032 176.253 176.870 -0.975 0.000 1.079 437 L CA 0.049 54.539 54.840 -0.584 0.000 0.830 437 L CB -0.068 41.819 42.059 -0.287 0.000 1.200 437 L HN 0.624 nan 8.230 nan 0.000 0.438 438 R N 3.443 123.640 120.500 -0.505 0.000 2.774 438 R HA 0.083 4.425 4.340 0.004 0.000 0.269 438 R C 0.878 177.068 176.300 -0.182 0.000 1.068 438 R CA -0.315 55.640 56.100 -0.242 0.000 1.180 438 R CB 0.416 30.719 30.300 0.005 0.000 1.077 438 R HN 0.630 nan 8.270 nan 0.000 0.513 439 E N 1.125 121.304 120.200 -0.035 0.000 2.204 439 E HA -0.202 4.150 4.350 0.004 0.000 0.195 439 E C 0.902 177.501 176.600 -0.001 0.000 0.990 439 E CA 1.478 57.883 56.400 0.008 0.000 0.821 439 E CB -0.028 29.739 29.700 0.111 0.000 0.750 439 E HN 0.598 nan 8.360 nan 0.000 0.477 440 D N -0.664 119.738 120.400 0.002 0.000 2.363 440 D HA -0.023 4.619 4.640 0.004 0.000 0.226 440 D C 1.281 177.568 176.300 -0.022 0.000 1.020 440 D CA 0.849 54.850 54.000 0.001 0.000 0.892 440 D CB 0.094 40.903 40.800 0.014 0.000 0.900 440 D HN 0.211 nan 8.370 nan 0.000 0.531 441 G N -0.303 108.464 108.800 -0.056 0.000 2.176 441 G HA2 -0.259 3.703 3.960 0.004 0.000 0.253 441 G HA3 -0.259 3.703 3.960 0.004 0.000 0.253 441 G C 0.480 175.323 174.900 -0.095 0.000 0.979 441 G CA 0.554 45.609 45.100 -0.075 0.000 0.641 441 G HN 0.827 nan 8.290 nan 0.000 0.530 442 T N -0.799 113.707 114.554 -0.080 0.000 2.934 442 T HA 0.753 5.105 4.350 0.004 0.000 0.283 442 T C 0.354 174.990 174.700 -0.108 0.000 1.005 442 T CA -0.854 61.198 62.100 -0.080 0.000 1.041 442 T CB 2.260 71.110 68.868 -0.030 0.000 1.042 442 T HN 0.461 nan 8.240 nan 0.000 0.505 443 L N 1.765 122.921 121.223 -0.112 0.000 2.334 443 L HA 0.570 4.913 4.340 0.004 0.000 0.277 443 L C 0.327 177.203 176.870 0.009 0.000 1.075 443 L CA -0.866 53.914 54.840 -0.100 0.000 0.804 443 L CB 1.253 43.212 42.059 -0.166 0.000 1.174 443 L HN 0.838 nan 8.230 nan 0.000 0.438 444 K N 2.978 123.428 120.400 0.084 0.000 2.427 444 K HA 0.612 4.934 4.320 0.004 0.000 0.252 444 K C -2.910 173.820 176.600 0.216 0.000 0.931 444 K CA -1.889 54.492 56.287 0.155 0.000 0.793 444 K CB 2.251 34.845 32.500 0.158 0.000 1.211 444 K HN 0.126 nan 8.250 nan 0.000 0.426 445 P HA -0.002 nan 4.420 nan 0.000 0.281 445 P C 0.436 177.913 177.300 0.294 0.000 1.252 445 P CA -0.565 62.780 63.100 0.408 0.000 0.778 445 P CB 1.477 33.611 31.700 0.724 0.000 0.895 446 V N -0.082 119.979 119.914 0.245 0.000 3.604 446 V HA 0.727 4.849 4.120 0.004 0.000 0.277 446 V C 0.339 176.487 176.094 0.090 0.000 1.399 446 V CA 0.278 62.632 62.300 0.089 0.000 1.034 446 V CB -0.191 31.656 31.823 0.041 0.000 0.824 446 V HN 0.682 nan 8.190 nan 0.000 0.439 447 A N 0.042 123.020 122.820 0.264 0.000 2.594 447 A HA 0.807 5.129 4.320 0.004 0.000 0.296 447 A C -1.532 176.282 177.584 0.383 0.000 1.056 447 A CA -0.409 51.805 52.037 0.294 0.000 0.693 447 A CB 1.269 20.386 19.000 0.195 0.000 1.278 447 A HN 0.290 nan 8.150 nan 0.000 0.408 448 I N 1.135 121.933 120.570 0.381 0.000 2.499 448 I HA 0.402 4.574 4.170 0.004 0.000 0.288 448 I C -0.259 175.943 176.117 0.141 0.000 1.048 448 I CA -0.229 61.212 61.300 0.235 0.000 1.062 448 I CB 2.142 40.217 38.000 0.126 0.000 1.238 448 I HN 0.831 nan 8.210 nan 0.000 0.426 449 E N 7.191 127.452 120.200 0.102 0.000 2.151 449 E HA 0.503 4.855 4.350 0.004 0.000 0.275 449 E C -1.447 175.157 176.600 0.007 0.000 0.936 449 E CA -0.602 55.833 56.400 0.059 0.000 0.777 449 E CB 1.212 30.957 29.700 0.076 0.000 1.108 449 E HN 0.517 nan 8.360 nan 0.000 0.401 450 L N 4.040 125.194 121.223 -0.115 0.000 2.297 450 L HA 0.365 4.707 4.340 0.004 0.000 0.277 450 L C -0.526 176.292 176.870 -0.088 0.000 1.040 450 L CA -0.546 54.093 54.840 -0.335 0.000 0.867 450 L CB 1.315 42.759 42.059 -1.025 0.000 1.244 450 L HN 0.436 nan 8.230 nan 0.000 0.433 451 S N 3.918 119.695 115.700 0.128 0.000 2.565 451 S HA 0.769 5.241 4.470 0.004 0.000 0.290 451 S C -0.277 174.453 174.600 0.216 0.000 1.150 451 S CA -0.568 57.758 58.200 0.210 0.000 1.058 451 S CB 1.941 65.285 63.200 0.240 0.000 1.032 451 S HN 0.353 nan 8.310 nan 0.000 0.510 452 L N 3.272 124.594 121.223 0.166 0.000 2.388 452 L HA 0.569 4.912 4.340 0.004 0.000 0.264 452 L C -2.402 174.317 176.870 -0.252 0.000 0.998 452 L CA -2.435 52.378 54.840 -0.045 0.000 0.817 452 L CB 2.485 44.491 42.059 -0.088 0.000 1.338 452 L HN 0.393 nan 8.230 nan 0.000 0.414 453 P HA 0.240 nan 4.420 nan 0.000 0.277 453 P C -1.499 175.529 177.300 -0.452 0.000 1.240 453 P CA -0.266 62.757 63.100 -0.128 0.000 0.798 453 P CB 0.871 32.618 31.700 0.077 0.000 0.979 454 H N -0.749 118.391 119.070 0.117 0.000 2.782 454 H HA 0.488 5.047 4.556 0.004 0.000 0.347 454 H C -0.317 175.038 175.328 0.046 0.000 1.038 454 H CA -0.393 55.697 56.048 0.071 0.000 1.255 454 H CB 1.667 31.470 29.762 0.067 0.000 1.623 454 H HN 0.403 nan 8.280 nan 0.000 0.525 455 S N 1.346 117.114 115.700 0.113 0.000 2.564 455 S HA 0.673 5.146 4.470 0.004 0.000 0.274 455 S C 1.136 175.764 174.600 0.046 0.000 1.124 455 S CA -0.367 57.863 58.200 0.051 0.000 0.869 455 S CB 1.942 65.139 63.200 -0.006 0.000 1.105 455 S HN 0.780 nan 8.310 nan 0.000 0.472 456 A N 2.100 124.936 122.820 0.027 0.000 1.861 456 A HA -0.138 4.184 4.320 0.004 0.000 0.248 456 A C 1.803 179.401 177.584 0.023 0.000 2.075 456 A CA 2.470 54.520 52.037 0.021 0.000 0.818 456 A CB -1.796 17.207 19.000 0.006 0.000 0.844 456 A HN 1.916 nan 8.150 nan 0.000 0.498 457 G N -0.579 108.231 108.800 0.016 0.000 3.518 457 G HA2 0.389 4.351 3.960 0.004 0.000 0.273 457 G HA3 0.389 4.351 3.960 0.004 0.000 0.273 457 G C -0.535 174.377 174.900 0.021 0.000 1.199 457 G CA 0.165 45.275 45.100 0.017 0.000 0.899 457 G HN 0.452 nan 8.290 nan 0.000 0.533 458 D N 0.482 120.902 120.400 0.033 0.000 2.525 458 D HA -0.011 4.631 4.640 0.004 0.000 0.235 458 D C 1.534 177.854 176.300 0.033 0.000 1.137 458 D CA 0.106 54.127 54.000 0.035 0.000 0.868 458 D CB 1.655 42.492 40.800 0.061 0.000 1.180 458 D HN 0.063 nan 8.370 nan 0.000 0.465 459 L N 1.178 122.415 121.223 0.024 0.000 2.209 459 L HA -0.044 4.298 4.340 0.004 0.000 0.207 459 L C 1.487 178.374 176.870 0.029 0.000 1.094 459 L CA 0.525 55.379 54.840 0.023 0.000 0.790 459 L CB -0.110 41.959 42.059 0.017 0.000 0.932 459 L HN 0.209 nan 8.230 nan 0.000 0.447 460 S N -0.194 115.524 115.700 0.030 0.000 2.565 460 S HA 0.387 4.859 4.470 0.004 0.000 0.276 460 S C 0.833 175.469 174.600 0.060 0.000 1.326 460 S CA -0.045 58.176 58.200 0.035 0.000 1.045 460 S CB 1.668 64.879 63.200 0.019 0.000 0.918 460 S HN 0.235 nan 8.310 nan 0.000 0.505 461 A N 3.807 126.662 122.820 0.059 0.000 2.308 461 A HA 0.616 4.938 4.320 0.004 0.000 0.217 461 A C 0.988 178.626 177.584 0.091 0.000 1.216 461 A CA 0.268 52.347 52.037 0.070 0.000 0.864 461 A CB -0.548 18.482 19.000 0.050 0.000 0.902 461 A HN 1.141 nan 8.150 nan 0.000 0.499 462 A N 0.428 123.305 122.820 0.094 0.000 2.498 462 A HA 0.490 4.812 4.320 0.004 0.000 0.239 462 A C 0.453 178.164 177.584 0.211 0.000 1.068 462 A CA 0.509 52.616 52.037 0.117 0.000 0.766 462 A CB -0.168 18.869 19.000 0.063 0.000 1.003 462 A HN 1.328 nan 8.150 nan 0.000 0.497 463 V N 0.119 120.163 119.914 0.216 0.000 3.074 463 V HA 0.784 4.906 4.120 0.004 0.000 0.314 463 V C 0.275 176.535 176.094 0.276 0.000 1.117 463 V CA -0.724 61.737 62.300 0.269 0.000 1.014 463 V CB 1.370 33.254 31.823 0.102 0.000 1.057 463 V HN 0.840 nan 8.190 nan 0.000 0.438 464 S N 2.034 117.909 115.700 0.292 0.000 2.584 464 S HA 0.533 5.006 4.470 0.004 0.000 0.270 464 S C -0.243 174.420 174.600 0.105 0.000 1.346 464 S CA -0.355 57.979 58.200 0.223 0.000 1.018 464 S CB 0.326 63.667 63.200 0.235 0.000 0.899 464 S HN 1.082 nan 8.310 nan 0.000 0.542 465 Q N -1.076 118.741 119.800 0.029 0.000 2.578 465 Q HA 0.610 4.952 4.340 0.004 0.000 0.284 465 Q C -2.144 173.850 176.000 -0.009 0.000 0.960 465 Q CA -0.975 54.835 55.803 0.011 0.000 0.809 465 Q CB 1.018 29.764 28.738 0.014 0.000 1.462 465 Q HN 0.368 nan 8.270 nan 0.000 0.392 466 V N 1.390 121.322 119.914 0.030 0.000 2.435 466 V HA 0.595 4.718 4.120 0.004 0.000 0.290 466 V C -0.518 175.626 176.094 0.083 0.000 1.030 466 V CA -0.578 61.757 62.300 0.058 0.000 0.881 466 V CB 1.646 33.513 31.823 0.073 0.000 0.983 466 V HN 0.619 nan 8.190 nan 0.000 0.445 467 V N 6.119 126.115 119.914 0.137 0.000 2.604 467 V HA 0.556 4.678 4.120 0.004 0.000 0.305 467 V C -0.270 176.006 176.094 0.304 0.000 1.043 467 V CA -0.541 61.887 62.300 0.214 0.000 0.888 467 V CB 1.784 33.759 31.823 0.254 0.000 0.995 467 V HN 0.634 nan 8.190 nan 0.000 0.429 468 L N 4.575 125.881 121.223 0.138 0.000 2.322 468 L HA 0.608 4.950 4.340 0.004 0.000 0.269 468 L C -2.458 174.058 176.870 -0.590 0.000 1.012 468 L CA -2.159 52.600 54.840 -0.134 0.000 0.815 468 L CB 2.026 44.010 42.059 -0.124 0.000 1.295 468 L HN 0.389 nan 8.230 nan 0.000 0.438 469 P HA 0.180 nan 4.420 nan 0.000 0.266 469 P C -1.236 175.603 177.300 -0.768 0.000 1.195 469 P CA 0.027 62.113 63.100 -1.690 0.000 0.768 469 P CB 0.699 31.712 31.700 -1.145 0.000 0.838 470 A N 2.542 124.996 122.820 -0.611 0.000 2.540 470 A HA 0.388 4.710 4.320 0.004 0.000 0.297 470 A C 0.200 177.702 177.584 -0.136 0.000 1.056 470 A CA -0.576 51.315 52.037 -0.244 0.000 0.700 470 A CB 1.282 20.213 19.000 -0.115 0.000 1.280 470 A HN 0.428 nan 8.150 nan 0.000 0.398 471 K N 0.363 120.701 120.400 -0.103 0.000 2.354 471 K HA 0.182 4.504 4.320 0.004 0.000 0.194 471 K C -0.052 176.509 176.600 -0.064 0.000 1.045 471 K CA 0.666 56.913 56.287 -0.068 0.000 1.026 471 K CB 0.662 33.120 32.500 -0.069 0.000 0.866 471 K HN 0.794 nan 8.250 nan 0.000 0.530 472 E N -0.233 119.930 120.200 -0.061 0.000 2.359 472 E HA 0.467 4.820 4.350 0.004 0.000 0.266 472 E C -0.147 176.422 176.600 -0.051 0.000 0.920 472 E CA -0.756 55.607 56.400 -0.061 0.000 0.788 472 E CB 1.929 31.598 29.700 -0.052 0.000 1.279 472 E HN 0.134 nan 8.360 nan 0.000 0.438 473 G N -0.084 108.682 108.800 -0.057 0.000 2.752 473 G HA2 -0.301 3.661 3.960 0.004 0.000 0.234 473 G HA3 -0.301 3.661 3.960 0.004 0.000 0.234 473 G C 0.682 175.559 174.900 -0.039 0.000 1.367 473 G CA -0.197 44.879 45.100 -0.039 0.000 0.879 473 G HN 0.543 nan 8.290 nan 0.000 0.563 474 V N 0.352 120.256 119.914 -0.017 0.000 2.568 474 V HA -0.104 4.018 4.120 0.004 0.000 0.253 474 V C 2.638 178.729 176.094 -0.006 0.000 1.072 474 V CA 3.323 65.605 62.300 -0.030 0.000 1.084 474 V CB -0.605 31.203 31.823 -0.025 0.000 0.676 474 V HN 0.756 nan 8.190 nan 0.000 0.469 475 E N 0.680 120.893 120.200 0.020 0.000 2.110 475 E HA -0.164 4.189 4.350 0.004 0.000 0.193 475 E C 2.378 179.021 176.600 0.070 0.000 0.988 475 E CA 1.553 57.980 56.400 0.046 0.000 0.804 475 E CB -0.370 29.346 29.700 0.026 0.000 0.745 475 E HN 0.842 nan 8.360 nan 0.000 0.458 476 S N -0.502 115.218 115.700 0.033 0.000 2.402 476 S HA -0.121 4.351 4.470 0.004 0.000 0.229 476 S C 2.010 176.667 174.600 0.094 0.000 1.021 476 S CA 1.389 59.628 58.200 0.064 0.000 0.974 476 S CB -0.508 62.682 63.200 -0.015 0.000 0.800 476 S HN 0.140 nan 8.310 nan 0.000 0.484 477 T N 2.674 117.251 114.554 0.039 0.000 2.812 477 T HA 0.190 4.542 4.350 0.004 0.000 0.264 477 T C 1.712 176.475 174.700 0.104 0.000 1.042 477 T CA 1.322 63.461 62.100 0.066 0.000 1.140 477 T CB -0.426 68.462 68.868 0.032 0.000 0.870 477 T HN 0.398 nan 8.240 nan 0.000 0.445 478 I N 0.238 120.864 120.570 0.093 0.000 2.226 478 I HA -0.154 4.019 4.170 0.004 0.000 0.245 478 I C 2.454 178.673 176.117 0.170 0.000 1.100 478 I CA 1.170 62.541 61.300 0.119 0.000 1.374 478 I CB -0.295 37.771 38.000 0.110 0.000 1.057 478 I HN 0.458 nan 8.210 nan 0.000 0.413 479 W N 1.632 122.936 121.300 0.006 0.000 2.388 479 W HA -0.234 4.428 4.660 0.004 0.000 0.294 479 W C 2.262 178.765 176.519 -0.027 0.000 1.212 479 W CA 0.994 58.327 57.345 -0.020 0.000 1.271 479 W CB -0.104 29.329 29.460 -0.046 0.000 1.126 479 W HN 0.149 nan 8.180 nan 0.000 0.535 480 L N 1.514 122.723 121.223 -0.023 0.000 2.046 480 L HA -0.169 4.173 4.340 0.004 0.000 0.208 480 L C 2.451 179.323 176.870 0.004 0.000 1.077 480 L CA 1.891 56.688 54.840 -0.073 0.000 0.747 480 L CB -1.103 41.016 42.059 0.099 0.000 0.896 480 L HN -0.040 nan 8.230 nan 0.000 0.432 481 L N -0.699 120.558 121.223 0.057 0.000 2.056 481 L HA -0.162 4.181 4.340 0.004 0.000 0.207 481 L C 2.698 179.511 176.870 -0.095 0.000 1.078 481 L CA 1.095 55.911 54.840 -0.039 0.000 0.749 481 L CB -0.965 41.123 42.059 0.049 0.000 0.901 481 L HN 0.375 nan 8.230 nan 0.000 0.433 482 A N 0.258 123.055 122.820 -0.038 0.000 1.908 482 A HA -0.241 4.081 4.320 0.004 0.000 0.218 482 A C 2.333 179.780 177.584 -0.229 0.000 1.181 482 A CA 1.806 53.815 52.037 -0.046 0.000 0.627 482 A CB -0.386 18.528 19.000 -0.143 0.000 0.818 482 A HN 0.326 nan 8.150 nan 0.000 0.445 483 K N -0.440 119.629 120.400 -0.552 0.000 2.097 483 K HA -0.083 4.239 4.320 0.004 0.000 0.206 483 K C 2.308 178.806 176.600 -0.169 0.000 1.049 483 K CA 1.104 57.025 56.287 -0.610 0.000 0.933 483 K CB -0.333 31.536 32.500 -1.051 0.000 0.717 483 K HN 0.462 nan 8.250 nan 0.000 0.442 484 A N 0.718 123.445 122.820 -0.155 0.000 1.902 484 A HA -0.172 4.151 4.320 0.004 0.000 0.217 484 A C 1.862 179.324 177.584 -0.202 0.000 1.181 484 A CA 1.276 53.204 52.037 -0.182 0.000 0.623 484 A CB -0.722 18.017 19.000 -0.435 0.000 0.818 484 A HN 0.248 nan 8.150 nan 0.000 0.443 485 Y N -0.233 120.031 120.300 -0.059 0.000 2.224 485 Y HA -0.154 4.398 4.550 0.004 0.000 0.289 485 Y C 2.612 178.491 175.900 -0.036 0.000 1.146 485 Y CA 1.223 59.312 58.100 -0.019 0.000 1.182 485 Y CB -0.754 37.742 38.460 0.060 0.000 0.983 485 Y HN 0.096 nan 8.280 nan 0.000 0.524 486 V N -0.202 119.794 119.914 0.138 0.000 2.295 486 V HA -0.279 3.844 4.120 0.004 0.000 0.246 486 V C 2.192 178.351 176.094 0.109 0.000 1.049 486 V CA 1.429 63.819 62.300 0.149 0.000 1.024 486 V CB -0.552 31.435 31.823 0.273 0.000 0.648 486 V HN 0.316 nan 8.190 nan 0.000 0.447 487 I N -0.279 120.366 120.570 0.124 0.000 2.493 487 I HA -0.128 4.044 4.170 0.004 0.000 0.254 487 I C 2.428 178.549 176.117 0.007 0.000 1.160 487 I CA 1.202 62.554 61.300 0.086 0.000 1.445 487 I CB -1.116 36.954 38.000 0.116 0.000 1.086 487 I HN 0.164 nan 8.210 nan 0.000 0.433 488 V N 1.339 121.233 119.914 -0.034 0.000 2.343 488 V HA -0.283 3.839 4.120 0.004 0.000 0.247 488 V C 2.184 178.222 176.094 -0.094 0.000 1.051 488 V CA 1.894 64.166 62.300 -0.047 0.000 1.036 488 V CB -0.878 30.916 31.823 -0.048 0.000 0.654 488 V HN 0.477 nan 8.190 nan 0.000 0.451 489 N N -0.063 118.466 118.700 -0.284 0.000 2.069 489 N HA -0.253 4.489 4.740 0.004 0.000 0.191 489 N C 1.679 176.876 175.510 -0.522 0.000 1.031 489 N CA 1.726 54.328 53.050 -0.747 0.000 0.852 489 N CB -0.181 37.694 38.487 -1.020 0.000 1.018 489 N HN 0.559 nan 8.380 nan 0.000 0.423 490 D N -0.002 120.219 120.400 -0.298 0.000 2.117 490 D HA -0.112 4.531 4.640 0.004 0.000 0.197 490 D C 2.049 178.446 176.300 0.161 0.000 0.987 490 D CA 0.893 54.879 54.000 -0.023 0.000 0.829 490 D CB -0.038 40.858 40.800 0.160 0.000 0.961 490 D HN 0.005 nan 8.370 nan 0.000 0.460 491 S N -1.383 114.409 115.700 0.153 0.000 2.383 491 S HA -0.146 4.327 4.470 0.004 0.000 0.227 491 S C 2.142 176.984 174.600 0.404 0.000 1.026 491 S CA 1.185 59.556 58.200 0.286 0.000 0.981 491 S CB -0.601 62.738 63.200 0.231 0.000 0.818 491 S HN 0.498 nan 8.310 nan 0.000 0.472 492 C N 0.214 119.724 119.300 0.349 0.000 2.453 492 C HA 0.041 4.503 4.460 0.004 0.000 0.277 492 C C 2.317 177.442 174.990 0.224 0.000 1.262 492 C CA 0.790 60.005 59.018 0.328 0.000 1.718 492 C CB -1.668 26.320 27.740 0.413 0.000 2.031 492 C HN 0.793 nan 8.230 nan 0.000 0.480 493 Y N 0.518 120.919 120.300 0.168 0.000 2.181 493 Y HA -0.210 4.342 4.550 0.004 0.000 0.288 493 Y C 2.833 178.837 175.900 0.173 0.000 1.146 493 Y CA 2.225 60.420 58.100 0.159 0.000 1.164 493 Y CB -0.733 37.847 38.460 0.199 0.000 0.982 493 Y HN 0.504 nan 8.280 nan 0.000 0.515 494 H N -0.366 118.873 119.070 0.281 0.000 2.290 494 H HA -0.224 4.335 4.556 0.004 0.000 0.298 494 H C 2.075 177.476 175.328 0.122 0.000 1.087 494 H CA 2.100 58.269 56.048 0.203 0.000 1.291 494 H CB -0.117 29.750 29.762 0.175 0.000 1.369 494 H HN 0.390 nan 8.280 nan 0.000 0.492 495 Q N 0.727 120.493 119.800 -0.057 0.000 2.079 495 Q HA -0.035 4.307 4.340 0.004 0.000 0.200 495 Q C 2.644 178.553 176.000 -0.152 0.000 0.974 495 Q CA 1.570 57.271 55.803 -0.170 0.000 0.840 495 Q CB -0.239 28.283 28.738 -0.361 0.000 0.898 495 Q HN 0.566 nan 8.270 nan 0.000 0.430 496 L N -1.079 120.042 121.223 -0.170 0.000 2.209 496 L HA -0.006 4.336 4.340 0.004 0.000 0.207 496 L C 1.851 178.676 176.870 -0.074 0.000 1.094 496 L CA 0.396 55.167 54.840 -0.115 0.000 0.790 496 L CB -0.172 41.788 42.059 -0.166 0.000 0.932 496 L HN 0.289 nan 8.230 nan 0.000 0.447 497 M N -1.691 117.766 119.600 -0.240 0.000 2.962 497 M HA 0.125 4.607 4.480 0.004 0.000 0.242 497 M C 2.397 178.605 176.300 -0.155 0.000 1.396 497 M CA 0.809 55.922 55.300 -0.312 0.000 1.287 497 M CB -1.038 31.028 32.600 -0.888 0.000 1.168 497 M HN -0.102 nan 8.290 nan 0.000 0.557 498 S N 0.203 115.830 115.700 -0.121 0.000 2.383 498 S HA -0.160 4.312 4.470 0.004 0.000 0.229 498 S C 1.869 176.505 174.600 0.060 0.000 1.030 498 S CA 1.506 59.737 58.200 0.052 0.000 1.002 498 S CB -0.508 62.785 63.200 0.155 0.000 0.829 498 S HN 0.513 nan 8.310 nan 0.000 0.467 499 H N -1.078 117.885 119.070 -0.177 0.000 2.283 499 H HA -0.012 4.546 4.556 0.004 0.000 0.320 499 H C 2.187 177.561 175.328 0.076 0.000 1.074 499 H CA 0.599 56.597 56.048 -0.084 0.000 1.476 499 H CB -0.418 29.182 29.762 -0.269 0.000 1.465 499 H HN 0.479 nan 8.280 nan 0.000 0.573 500 W N 1.636 122.757 121.300 -0.299 0.000 2.332 500 W HA -0.233 4.429 4.660 0.004 0.000 0.321 500 W C 2.144 178.571 176.519 -0.152 0.000 1.219 500 W CA 1.394 58.544 57.345 -0.325 0.000 1.277 500 W CB -0.610 28.650 29.460 -0.332 0.000 1.161 500 W HN 0.364 nan 8.180 nan 0.000 0.476 501 L N 2.282 123.337 121.223 -0.280 0.000 2.005 501 L HA -0.205 4.138 4.340 0.004 0.000 0.207 501 L C 1.980 178.675 176.870 -0.293 0.000 1.072 501 L CA 2.323 56.937 54.840 -0.377 0.000 0.744 501 L CB -1.403 40.574 42.059 -0.137 0.000 0.895 501 L HN -0.132 nan 8.230 nan 0.000 0.433 502 N N -1.084 117.577 118.700 -0.065 0.000 2.396 502 N HA -0.090 4.653 4.740 0.004 0.000 0.180 502 N C 1.501 177.081 175.510 0.118 0.000 1.028 502 N CA 1.442 54.568 53.050 0.126 0.000 0.893 502 N CB -0.242 38.379 38.487 0.224 0.000 0.967 502 N HN 0.711 nan 8.380 nan 0.000 0.440 503 T N -2.724 111.833 114.554 0.005 0.000 3.499 503 T HA 0.087 4.439 4.350 0.004 0.000 0.227 503 T C 1.604 176.186 174.700 -0.196 0.000 0.946 503 T CA 0.032 62.132 62.100 0.000 0.000 1.368 503 T CB -0.355 68.594 68.868 0.135 0.000 1.227 503 T HN 0.013 nan 8.240 nan 0.000 0.398 504 H N 1.824 120.662 119.070 -0.387 0.000 2.265 504 H HA -0.081 4.478 4.556 0.004 0.000 0.293 504 H C 2.682 177.588 175.328 -0.704 0.000 1.089 504 H CA 2.166 57.859 56.048 -0.591 0.000 1.244 504 H CB -0.635 28.579 29.762 -0.913 0.000 1.355 504 H HN 0.582 nan 8.280 nan 0.000 0.485 505 A N 0.968 123.224 122.820 -0.939 0.000 1.897 505 A HA 0.034 4.356 4.320 0.004 0.000 0.215 505 A C 2.656 179.958 177.584 -0.469 0.000 1.181 505 A CA 1.404 52.985 52.037 -0.760 0.000 0.620 505 A CB -0.669 17.717 19.000 -1.024 0.000 0.821 505 A HN 0.455 nan 8.150 nan 0.000 0.443 506 A N -1.260 121.349 122.820 -0.352 0.000 1.969 506 A HA -0.034 4.288 4.320 0.004 0.000 0.218 506 A C 2.096 179.790 177.584 0.182 0.000 1.169 506 A CA 2.032 54.011 52.037 -0.096 0.000 0.635 506 A CB -0.387 18.646 19.000 0.056 0.000 0.810 506 A HN 0.511 nan 8.150 nan 0.000 0.445 507 M N -0.323 119.355 119.600 0.130 0.000 2.334 507 M HA 0.054 4.536 4.480 0.004 0.000 0.266 507 M C 1.715 178.077 176.300 0.103 0.000 1.082 507 M CA 1.709 57.177 55.300 0.280 0.000 1.141 507 M CB -0.405 32.306 32.600 0.185 0.000 1.380 507 M HN 0.542 nan 8.290 nan 0.000 0.440 508 E N -0.079 120.086 120.200 -0.057 0.000 2.097 508 E HA -0.205 4.148 4.350 0.004 0.000 0.196 508 E C -0.984 175.551 176.600 -0.108 0.000 1.000 508 E CA 1.642 57.991 56.400 -0.086 0.000 0.804 508 E CB -0.889 28.766 29.700 -0.074 0.000 0.740 508 E HN 0.344 nan 8.360 nan 0.000 0.454 509 P HA -0.149 nan 4.420 nan 0.000 0.216 509 P C 0.656 177.851 177.300 -0.176 0.000 1.150 509 P CA 1.249 64.209 63.100 -0.233 0.000 0.837 509 P CB -0.092 31.222 31.700 -0.643 0.000 0.786 510 F N -1.280 118.706 119.950 0.059 0.000 2.259 510 F HA -0.112 4.417 4.527 0.004 0.000 0.298 510 F C 2.291 178.052 175.800 -0.065 0.000 1.088 510 F CA 0.817 58.878 58.000 0.102 0.000 1.358 510 F CB -1.643 37.514 39.000 0.262 0.000 1.040 510 F HN -0.257 nan 8.300 nan 0.000 0.505 511 V N 0.405 120.178 119.914 -0.235 0.000 2.295 511 V HA -0.288 3.834 4.120 0.004 0.000 0.246 511 V C 2.346 178.446 176.094 0.010 0.000 1.049 511 V CA 1.787 63.779 62.300 -0.513 0.000 1.024 511 V CB -0.657 30.939 31.823 -0.378 0.000 0.648 511 V HN 0.255 nan 8.190 nan 0.000 0.447 512 I N 0.632 121.226 120.570 0.039 0.000 2.127 512 I HA -0.265 3.907 4.170 0.004 0.000 0.241 512 I C 2.710 178.880 176.117 0.090 0.000 1.075 512 I CA 1.679 63.002 61.300 0.039 0.000 1.334 512 I CB -0.668 37.176 38.000 -0.261 0.000 1.040 512 I HN 0.282 nan 8.210 nan 0.000 0.405 513 A N 0.244 123.193 122.820 0.214 0.000 1.908 513 A HA -0.225 4.097 4.320 0.004 0.000 0.218 513 A C 2.384 180.316 177.584 0.579 0.000 1.181 513 A CA 2.549 54.826 52.037 0.401 0.000 0.627 513 A CB -1.162 17.997 19.000 0.265 0.000 0.818 513 A HN 0.421 nan 8.150 nan 0.000 0.445 514 T N -0.827 114.062 114.554 0.559 0.000 2.708 514 T HA -0.145 4.207 4.350 0.004 0.000 0.266 514 T C 1.819 176.581 174.700 0.104 0.000 1.037 514 T CA 1.541 63.872 62.100 0.385 0.000 1.146 514 T CB -0.479 68.586 68.868 0.328 0.000 0.865 514 T HN 0.623 nan 8.240 nan 0.000 0.435 515 H N 0.799 119.878 119.070 0.015 0.000 2.428 515 H HA 0.132 4.690 4.556 0.004 0.000 0.296 515 H C 2.513 177.742 175.328 -0.165 0.000 1.062 515 H CA 0.904 56.829 56.048 -0.204 0.000 1.350 515 H CB 0.070 29.209 29.762 -1.038 0.000 1.403 515 H HN 0.292 nan 8.280 nan 0.000 0.533 516 R N -0.439 120.067 120.500 0.010 0.000 2.115 516 R HA -0.039 4.303 4.340 0.004 0.000 0.226 516 R C 1.152 177.277 176.300 -0.291 0.000 1.100 516 R CA 0.827 56.869 56.100 -0.097 0.000 0.980 516 R CB 0.253 30.522 30.300 -0.052 0.000 0.875 516 R HN 0.440 nan 8.270 nan 0.000 0.445 517 H N -1.525 117.648 119.070 0.171 0.000 3.440 517 H HA 0.258 4.816 4.556 0.004 0.000 0.259 517 H C -0.133 175.243 175.328 0.079 0.000 1.120 517 H CA 0.028 56.176 56.048 0.166 0.000 1.191 517 H CB 0.995 30.938 29.762 0.301 0.000 1.537 517 H HN -0.032 nan 8.280 nan 0.000 0.547 518 L N 1.903 123.183 121.223 0.095 0.000 2.305 518 L HA 0.262 4.604 4.340 0.004 0.000 0.284 518 L C 0.668 177.503 176.870 -0.058 0.000 1.013 518 L CA -0.520 54.276 54.840 -0.073 0.000 0.819 518 L CB 2.024 43.919 42.059 -0.273 0.000 1.227 518 L HN -0.019 nan 8.230 nan 0.000 0.417 519 S N 1.503 117.144 115.700 -0.097 0.000 2.576 519 S HA 0.061 4.533 4.470 0.004 0.000 0.272 519 S C 1.404 175.664 174.600 -0.567 0.000 1.352 519 S CA -0.501 57.546 58.200 -0.256 0.000 1.021 519 S CB 1.330 64.400 63.200 -0.216 0.000 0.887 519 S HN 0.463 nan 8.310 nan 0.000 0.542 520 V N 3.481 122.926 119.914 -0.783 0.000 2.828 520 V HA -0.092 4.030 4.120 0.004 0.000 0.260 520 V C 1.807 177.588 176.094 -0.521 0.000 1.101 520 V CA 1.666 63.325 62.300 -1.067 0.000 1.123 520 V CB -1.192 30.331 31.823 -0.501 0.000 0.704 520 V HN 0.794 nan 8.190 nan 0.000 0.493 521 L N -0.907 120.075 121.223 -0.402 0.000 2.418 521 L HA 0.149 4.492 4.340 0.004 0.000 0.218 521 L C 1.601 178.379 176.870 -0.154 0.000 1.125 521 L CA 0.304 54.992 54.840 -0.254 0.000 0.835 521 L CB -0.568 41.339 42.059 -0.254 0.000 0.953 521 L HN 0.390 nan 8.230 nan 0.000 0.454 522 H N 2.451 121.402 119.070 -0.198 0.000 2.928 522 H HA 0.015 4.573 4.556 0.004 0.000 0.338 522 H C -1.527 173.740 175.328 -0.101 0.000 1.047 522 H CA -1.388 54.586 56.048 -0.123 0.000 1.435 522 H CB 1.534 31.246 29.762 -0.082 0.000 1.428 522 H HN -0.077 nan 8.280 nan 0.000 0.590 523 P HA -0.160 nan 4.420 nan 0.000 0.218 523 P C 1.543 178.972 177.300 0.216 0.000 1.149 523 P CA 0.857 63.838 63.100 -0.199 0.000 0.817 523 P CB 0.503 31.626 31.700 -0.963 0.000 0.785 524 I N -1.658 119.143 120.570 0.384 0.000 2.617 524 I HA -0.165 4.007 4.170 0.004 0.000 0.256 524 I C 2.576 178.663 176.117 -0.050 0.000 1.167 524 I CA 0.829 62.189 61.300 0.100 0.000 1.469 524 I CB -1.673 36.268 38.000 -0.099 0.000 1.098 524 I HN -0.080 nan 8.210 nan 0.000 0.436 525 Y N 2.572 122.804 120.300 -0.114 0.000 2.145 525 Y HA -0.219 4.333 4.550 0.004 0.000 0.286 525 Y C 2.500 178.327 175.900 -0.121 0.000 1.145 525 Y CA 1.834 59.834 58.100 -0.168 0.000 1.148 525 Y CB -0.132 38.252 38.460 -0.127 0.000 0.981 525 Y HN 0.028 nan 8.280 nan 0.000 0.507 526 K N -0.412 120.126 120.400 0.229 0.000 2.148 526 K HA -0.156 4.166 4.320 0.004 0.000 0.204 526 K C 1.922 178.454 176.600 -0.114 0.000 1.050 526 K CA 1.369 57.748 56.287 0.155 0.000 0.942 526 K CB -0.342 32.371 32.500 0.355 0.000 0.724 526 K HN 0.310 nan 8.250 nan 0.000 0.446 527 L N 0.976 122.093 121.223 -0.176 0.000 2.072 527 L HA -0.089 4.253 4.340 0.004 0.000 0.205 527 L C 1.767 178.498 176.870 -0.230 0.000 1.079 527 L CA 1.532 56.152 54.840 -0.366 0.000 0.752 527 L CB -0.056 41.700 42.059 -0.505 0.000 0.906 527 L HN 0.080 nan 8.230 nan 0.000 0.436 528 L N -1.422 119.636 121.223 -0.275 0.000 2.253 528 L HA -0.024 4.318 4.340 0.004 0.000 0.205 528 L C 2.439 178.859 176.870 -0.751 0.000 1.078 528 L CA 1.050 55.672 54.840 -0.363 0.000 0.805 528 L CB -1.065 40.806 42.059 -0.314 0.000 0.963 528 L HN 0.377 nan 8.230 nan 0.000 0.459 529 T N -2.160 111.941 114.554 -0.756 0.000 2.803 529 T HA -0.096 4.256 4.350 0.004 0.000 0.269 529 T C -0.540 173.863 174.700 -0.495 0.000 1.052 529 T CA 0.778 62.430 62.100 -0.746 0.000 1.136 529 T CB -1.622 66.812 68.868 -0.723 0.000 0.864 529 T HN 0.154 nan 8.240 nan 0.000 0.467 530 P HA -0.077 nan 4.420 nan 0.000 0.220 530 P C 1.132 178.136 177.300 -0.494 0.000 1.148 530 P CA 0.998 63.815 63.100 -0.471 0.000 0.803 530 P CB -0.213 31.113 31.700 -0.624 0.000 0.782 531 H N -2.771 116.143 119.070 -0.260 0.000 2.553 531 H HA 0.076 4.635 4.556 0.004 0.000 0.269 531 H C 0.441 175.792 175.328 0.038 0.000 1.011 531 H CA 0.777 56.746 56.048 -0.132 0.000 1.150 531 H CB -0.064 29.620 29.762 -0.131 0.000 1.339 531 H HN 0.290 nan 8.280 nan 0.000 0.604 532 Y N -0.022 120.311 120.300 0.056 0.000 2.481 532 Y HA 0.165 4.718 4.550 0.004 0.000 0.247 532 Y C 1.321 177.255 175.900 0.056 0.000 1.151 532 Y CA -0.973 57.175 58.100 0.079 0.000 1.238 532 Y CB 0.013 38.544 38.460 0.117 0.000 1.179 532 Y HN -0.056 nan 8.280 nan 0.000 0.524 533 R N 2.382 122.971 120.500 0.149 0.000 2.485 533 R HA -0.156 4.186 4.340 0.004 0.000 0.304 533 R C 0.596 176.956 176.300 0.100 0.000 0.934 533 R CA 0.964 57.125 56.100 0.103 0.000 1.102 533 R CB -0.232 30.090 30.300 0.036 0.000 0.906 533 R HN 0.371 nan 8.270 nan 0.000 0.407 534 N N 1.718 120.482 118.700 0.107 0.000 2.900 534 N HA -0.316 4.426 4.740 0.004 0.000 0.240 534 N C 0.422 175.985 175.510 0.089 0.000 0.953 534 N CA 1.716 54.825 53.050 0.099 0.000 0.950 534 N CB -1.406 37.151 38.487 0.116 0.000 1.102 534 N HN 0.865 nan 8.380 nan 0.000 0.593 535 N N -0.597 118.151 118.700 0.080 0.000 2.058 535 N HA -0.076 4.667 4.740 0.004 0.000 0.191 535 N C 1.679 177.225 175.510 0.060 0.000 1.037 535 N CA 1.566 54.642 53.050 0.044 0.000 0.848 535 N CB -0.101 38.407 38.487 0.036 0.000 1.021 535 N HN 0.352 nan 8.380 nan 0.000 0.422 536 M N 0.291 119.919 119.600 0.048 0.000 2.159 536 M HA -0.142 4.340 4.480 0.004 0.000 0.263 536 M C 1.880 178.195 176.300 0.025 0.000 1.063 536 M CA 1.093 56.406 55.300 0.021 0.000 1.110 536 M CB -0.358 32.227 32.600 -0.025 0.000 1.374 536 M HN 0.243 nan 8.290 nan 0.000 0.411 537 N N 1.429 120.148 118.700 0.031 0.000 2.058 537 N HA -0.144 4.598 4.740 0.004 0.000 0.191 537 N C 1.587 177.141 175.510 0.073 0.000 1.037 537 N CA 1.702 54.771 53.050 0.033 0.000 0.848 537 N CB -0.325 38.189 38.487 0.045 0.000 1.021 537 N HN 0.516 nan 8.380 nan 0.000 0.422 538 I N -2.104 118.535 120.570 0.115 0.000 2.361 538 I HA -0.117 4.056 4.170 0.004 0.000 0.251 538 I C 1.340 177.570 176.117 0.188 0.000 1.133 538 I CA 1.335 62.727 61.300 0.153 0.000 1.413 538 I CB -0.507 37.622 38.000 0.216 0.000 1.073 538 I HN -0.049 nan 8.210 nan 0.000 0.424 539 N N 2.092 120.927 118.700 0.226 0.000 2.120 539 N HA -0.091 4.651 4.740 0.004 0.000 0.188 539 N C 2.050 177.694 175.510 0.224 0.000 1.024 539 N CA 1.982 55.223 53.050 0.318 0.000 0.852 539 N CB -0.457 38.191 38.487 0.268 0.000 1.003 539 N HN 0.569 nan 8.380 nan 0.000 0.424 540 A N 0.681 123.581 122.820 0.133 0.000 1.898 540 A HA -0.029 4.293 4.320 0.004 0.000 0.216 540 A C 2.253 179.840 177.584 0.006 0.000 1.181 540 A CA 0.909 53.023 52.037 0.129 0.000 0.620 540 A CB -0.725 18.341 19.000 0.110 0.000 0.819 540 A HN 0.235 nan 8.150 nan 0.000 0.442 541 L N -0.843 120.366 121.223 -0.023 0.000 2.141 541 L HA -0.163 4.180 4.340 0.004 0.000 0.209 541 L C 3.013 179.794 176.870 -0.148 0.000 1.094 541 L CA 0.855 55.626 54.840 -0.116 0.000 0.763 541 L CB -0.443 41.590 42.059 -0.043 0.000 0.908 541 L HN 0.447 nan 8.230 nan 0.000 0.437 542 A N 0.126 122.909 122.820 -0.062 0.000 1.898 542 A HA -0.155 4.167 4.320 0.004 0.000 0.216 542 A C 2.374 179.836 177.584 -0.203 0.000 1.181 542 A CA 1.087 53.046 52.037 -0.131 0.000 0.620 542 A CB -0.374 18.580 19.000 -0.077 0.000 0.819 542 A HN 0.292 nan 8.150 nan 0.000 0.442 543 R N -0.658 119.785 120.500 -0.095 0.000 2.120 543 R HA -0.175 4.168 4.340 0.004 0.000 0.234 543 R C 2.420 178.598 176.300 -0.204 0.000 1.123 543 R CA 1.569 57.648 56.100 -0.035 0.000 0.975 543 R CB -0.257 30.165 30.300 0.203 0.000 0.866 543 R HN 0.803 nan 8.270 nan 0.000 0.446 544 Q N -0.267 119.182 119.800 -0.585 0.000 2.163 544 Q HA -0.024 4.318 4.340 0.004 0.000 0.198 544 Q C 0.903 176.658 176.000 -0.408 0.000 0.954 544 Q CA 1.376 56.652 55.803 -0.880 0.000 0.851 544 Q CB 0.433 28.346 28.738 -1.374 0.000 0.928 544 Q HN 0.142 nan 8.270 nan 0.000 0.459 545 S N -0.841 114.681 115.700 -0.298 0.000 2.628 545 S HA 0.112 4.584 4.470 0.004 0.000 0.246 545 S C 1.001 175.507 174.600 -0.156 0.000 1.062 545 S CA -0.310 57.774 58.200 -0.192 0.000 1.028 545 S CB 0.513 63.619 63.200 -0.157 0.000 0.985 545 S HN 0.245 nan 8.310 nan 0.000 0.551 546 L N 2.063 123.171 121.223 -0.191 0.000 2.262 546 L HA 0.482 4.824 4.340 0.004 0.000 0.197 546 L C 1.270 177.983 176.870 -0.262 0.000 1.073 546 L CA 1.226 55.946 54.840 -0.200 0.000 0.800 546 L CB -0.047 41.877 42.059 -0.225 0.000 0.987 546 L HN 0.395 nan 8.230 nan 0.000 0.470 547 I N -1.392 118.971 120.570 -0.344 0.000 3.914 547 I HA 0.255 4.428 4.170 0.004 0.000 0.333 547 I C 0.073 176.040 176.117 -0.250 0.000 1.449 547 I CA -0.613 60.458 61.300 -0.380 0.000 1.135 547 I CB -0.626 36.985 38.000 -0.647 0.000 1.073 547 I HN 0.194 nan 8.210 nan 0.000 0.401 548 N N 2.411 121.001 118.700 -0.183 0.000 2.408 548 N HA 0.249 4.991 4.740 0.004 0.000 0.260 548 N C 0.107 175.549 175.510 -0.115 0.000 1.242 548 N CA -0.218 52.760 53.050 -0.120 0.000 0.959 548 N CB 0.940 39.368 38.487 -0.098 0.000 1.201 548 N HN 0.176 nan 8.380 nan 0.000 0.511 549 A N 0.627 123.392 122.820 -0.091 0.000 2.522 549 A HA 0.112 4.434 4.320 0.004 0.000 0.256 549 A C 0.525 178.062 177.584 -0.079 0.000 1.086 549 A CA 0.040 52.022 52.037 -0.092 0.000 0.763 549 A CB -1.248 17.705 19.000 -0.078 0.000 1.024 549 A HN 0.892 nan 8.150 nan 0.000 0.502 550 N N -0.068 118.583 118.700 -0.082 0.000 2.800 550 N HA -0.153 4.589 4.740 0.004 0.000 0.250 550 N C 0.576 176.049 175.510 -0.062 0.000 1.078 550 N CA 1.428 54.438 53.050 -0.066 0.000 0.804 550 N CB -1.284 37.170 38.487 -0.055 0.000 1.135 550 N HN 1.152 nan 8.380 nan 0.000 0.565 551 G N -0.411 108.343 108.800 -0.077 0.000 2.553 551 G HA2 0.438 4.400 3.960 0.004 0.000 0.278 551 G HA3 0.438 4.400 3.960 0.004 0.000 0.278 551 G C 1.384 176.252 174.900 -0.053 0.000 1.349 551 G CA -0.148 44.904 45.100 -0.080 0.000 1.037 551 G HN 0.173 nan 8.290 nan 0.000 0.508 552 I N -0.096 120.447 120.570 -0.044 0.000 2.163 552 I HA -0.171 4.002 4.170 0.004 0.000 0.243 552 I C 2.504 178.650 176.117 0.049 0.000 1.085 552 I CA 0.810 62.114 61.300 0.007 0.000 1.347 552 I CB -0.231 37.781 38.000 0.021 0.000 1.044 552 I HN 0.272 nan 8.210 nan 0.000 0.408 553 I N 0.739 121.307 120.570 -0.003 0.000 2.179 553 I HA -0.243 3.929 4.170 0.004 0.000 0.242 553 I C 2.491 178.655 176.117 0.078 0.000 1.088 553 I CA 1.685 63.006 61.300 0.034 0.000 1.357 553 I CB -1.312 36.571 38.000 -0.196 0.000 1.051 553 I HN 0.341 nan 8.210 nan 0.000 0.409 554 E N 0.383 120.571 120.200 -0.020 0.000 2.153 554 E HA -0.194 4.159 4.350 0.004 0.000 0.194 554 E C 1.885 178.489 176.600 0.007 0.000 0.988 554 E CA 1.913 58.300 56.400 -0.023 0.000 0.811 554 E CB -0.057 29.597 29.700 -0.077 0.000 0.746 554 E HN 0.599 nan 8.360 nan 0.000 0.466 555 T N -2.457 112.103 114.554 0.010 0.000 3.129 555 T HA 0.016 4.369 4.350 0.004 0.000 0.251 555 T C 1.678 176.380 174.700 0.003 0.000 1.117 555 T CA 0.997 63.096 62.100 -0.003 0.000 1.034 555 T CB 0.185 69.042 68.868 -0.018 0.000 0.968 555 T HN 0.141 nan 8.240 nan 0.000 0.526 556 T N -2.310 112.278 114.554 0.057 0.000 2.958 556 T HA 0.425 4.777 4.350 0.004 0.000 0.256 556 T C -0.026 174.600 174.700 -0.123 0.000 0.983 556 T CA -0.534 61.555 62.100 -0.018 0.000 0.924 556 T CB -0.135 68.733 68.868 0.000 0.000 1.136 556 T HN 0.216 nan 8.240 nan 0.000 0.506 557 F N 1.101 121.039 119.950 -0.020 0.000 2.432 557 F HA 0.586 5.115 4.527 0.004 0.000 0.329 557 F C 1.268 177.072 175.800 0.008 0.000 1.076 557 F CA -2.000 55.998 58.000 -0.002 0.000 1.018 557 F CB 1.482 40.485 39.000 0.004 0.000 1.201 557 F HN -0.106 nan 8.300 nan 0.000 0.489 558 L N 4.089 125.415 121.223 0.171 0.000 2.010 558 L HA -0.178 4.164 4.340 0.004 0.000 0.219 558 L C -0.998 175.967 176.870 0.159 0.000 1.077 558 L CA 2.358 57.281 54.840 0.138 0.000 0.773 558 L CB -1.452 40.702 42.059 0.158 0.000 0.892 558 L HN 0.473 nan 8.230 nan 0.000 0.436 559 P HA -0.059 nan 4.420 nan 0.000 0.230 559 P C 0.991 178.374 177.300 0.138 0.000 1.158 559 P CA 1.031 64.240 63.100 0.181 0.000 0.769 559 P CB 0.074 31.842 31.700 0.114 0.000 0.807 560 S N 0.743 116.487 115.700 0.073 0.000 4.054 560 S HA -0.316 4.157 4.470 0.004 0.000 0.618 560 S C 1.577 176.116 174.600 -0.102 0.000 2.026 560 S CA 2.345 60.537 58.200 -0.013 0.000 4.205 560 S CB -1.590 61.593 63.200 -0.027 0.000 0.233 560 S HN 0.412 nan 8.310 nan 0.000 0.612 561 K N 0.503 120.758 120.400 -0.242 0.000 2.519 561 K HA -0.073 4.249 4.320 0.004 0.000 0.196 561 K C 1.314 177.692 176.600 -0.370 0.000 1.041 561 K CA 2.025 58.105 56.287 -0.345 0.000 0.954 561 K CB -0.402 31.833 32.500 -0.442 0.000 0.774 561 K HN 0.653 nan 8.250 nan 0.000 0.480 562 Y N 1.204 121.492 120.300 -0.020 0.000 2.457 562 Y HA 0.216 4.769 4.550 0.004 0.000 0.263 562 Y C 2.085 177.900 175.900 -0.142 0.000 1.164 562 Y CA -0.389 57.699 58.100 -0.021 0.000 1.274 562 Y CB 0.411 38.923 38.460 0.087 0.000 1.097 562 Y HN 0.051 nan 8.280 nan 0.000 0.523 563 S N 0.051 115.727 115.700 -0.040 0.000 2.351 563 S HA -0.186 4.287 4.470 0.004 0.000 0.220 563 S C 2.185 176.674 174.600 -0.186 0.000 1.035 563 S CA 1.955 60.082 58.200 -0.122 0.000 1.031 563 S CB -0.695 62.428 63.200 -0.128 0.000 0.928 563 S HN 0.270 nan 8.310 nan 0.000 0.433 564 V N 2.951 122.736 119.914 -0.214 0.000 2.427 564 V HA -0.196 3.927 4.120 0.004 0.000 0.248 564 V C 2.489 178.436 176.094 -0.246 0.000 1.051 564 V CA 1.999 64.140 62.300 -0.265 0.000 1.048 564 V CB -1.140 30.476 31.823 -0.344 0.000 0.666 564 V HN 0.695 nan 8.190 nan 0.000 0.456 565 E N 0.319 120.402 120.200 -0.194 0.000 2.153 565 E HA -0.239 4.113 4.350 0.004 0.000 0.194 565 E C 2.134 178.735 176.600 0.001 0.000 0.988 565 E CA 1.469 57.809 56.400 -0.100 0.000 0.811 565 E CB -0.463 29.245 29.700 0.013 0.000 0.746 565 E HN 0.508 nan 8.360 nan 0.000 0.466 566 M N 1.739 121.218 119.600 -0.202 0.000 2.149 566 M HA -0.160 4.322 4.480 0.004 0.000 0.261 566 M C 2.556 178.791 176.300 -0.108 0.000 1.064 566 M CA 1.994 57.066 55.300 -0.381 0.000 1.102 566 M CB -0.371 31.849 32.600 -0.633 0.000 1.369 566 M HN 0.317 nan 8.290 nan 0.000 0.408 567 S N -1.080 114.594 115.700 -0.044 0.000 2.423 567 S HA -0.105 4.367 4.470 0.004 0.000 0.231 567 S C 1.917 176.693 174.600 0.294 0.000 1.014 567 S CA 1.396 59.657 58.200 0.102 0.000 0.965 567 S CB -0.434 62.868 63.200 0.170 0.000 0.785 567 S HN 0.456 nan 8.310 nan 0.000 0.495 568 S N 1.959 117.828 115.700 0.281 0.000 2.368 568 S HA 0.063 4.535 4.470 0.004 0.000 0.224 568 S C 2.151 176.991 174.600 0.400 0.000 1.029 568 S CA 1.106 59.564 58.200 0.430 0.000 0.988 568 S CB -0.913 62.468 63.200 0.302 0.000 0.838 568 S HN 0.778 nan 8.310 nan 0.000 0.462 569 A N 0.857 123.862 122.820 0.309 0.000 1.902 569 A HA -0.015 4.307 4.320 0.004 0.000 0.217 569 A C 2.332 180.063 177.584 0.244 0.000 1.181 569 A CA 1.846 54.046 52.037 0.270 0.000 0.623 569 A CB -1.065 18.113 19.000 0.295 0.000 0.818 569 A HN 0.467 nan 8.150 nan 0.000 0.443 570 V N -1.471 118.578 119.914 0.226 0.000 2.427 570 V HA -0.249 3.873 4.120 0.004 0.000 0.248 570 V C 2.334 178.600 176.094 0.288 0.000 1.051 570 V CA 1.914 64.351 62.300 0.229 0.000 1.048 570 V CB -1.006 30.917 31.823 0.167 0.000 0.666 570 V HN 0.718 nan 8.190 nan 0.000 0.456 571 Y N 1.500 121.910 120.300 0.183 0.000 2.315 571 Y HA -0.235 4.317 4.550 0.004 0.000 0.288 571 Y C 2.331 178.386 175.900 0.259 0.000 1.154 571 Y CA 1.472 59.685 58.100 0.188 0.000 1.229 571 Y CB -0.335 38.188 38.460 0.105 0.000 0.980 571 Y HN 0.223 nan 8.280 nan 0.000 0.540 572 K N -0.153 120.363 120.400 0.193 0.000 2.218 572 K HA -0.221 4.101 4.320 0.004 0.000 0.205 572 K C 0.804 177.455 176.600 0.086 0.000 1.046 572 K CA 1.811 58.162 56.287 0.107 0.000 0.933 572 K CB -0.281 32.305 32.500 0.143 0.000 0.728 572 K HN 0.429 nan 8.250 nan 0.000 0.454 573 N N -0.923 117.848 118.700 0.117 0.000 2.234 573 N HA 0.037 4.780 4.740 0.004 0.000 0.227 573 N C -0.965 174.583 175.510 0.063 0.000 1.151 573 N CA -0.435 52.670 53.050 0.092 0.000 0.865 573 N CB 0.335 38.878 38.487 0.093 0.000 1.066 573 N HN 0.192 nan 8.380 nan 0.000 0.515 574 W N 1.609 122.827 121.300 -0.137 0.000 2.266 574 W HA 0.389 5.051 4.660 0.004 0.000 0.317 574 W C -0.856 175.423 176.519 -0.400 0.000 1.310 574 W CA -0.204 57.037 57.345 -0.174 0.000 1.207 574 W CB 0.545 29.963 29.460 -0.070 0.000 1.199 574 W HN -0.332 nan 8.180 nan 0.000 0.544 575 V N 9.724 128.901 119.914 -1.229 0.000 2.443 575 V HA 0.077 4.200 4.120 0.004 0.000 0.293 575 V C 0.525 175.466 176.094 -1.922 0.000 1.021 575 V CA -0.847 60.294 62.300 -1.932 0.000 0.848 575 V CB 0.818 31.728 31.823 -1.521 0.000 0.998 575 V HN 0.733 nan 8.190 nan 0.000 0.424 576 F N 4.383 123.039 119.950 -2.157 0.000 2.091 576 F HA -0.243 4.287 4.527 0.004 0.000 0.299 576 F C 2.489 177.900 175.800 -0.648 0.000 1.103 576 F CA 2.829 60.097 58.000 -1.219 0.000 1.228 576 F CB -0.105 38.606 39.000 -0.481 0.000 0.984 576 F HN 0.627 nan 8.300 nan 0.000 0.477 577 T N -3.008 111.190 114.554 -0.593 0.000 3.035 577 T HA -0.110 4.243 4.350 0.004 0.000 0.268 577 T C 1.330 175.750 174.700 -0.468 0.000 1.109 577 T CA 1.169 63.013 62.100 -0.426 0.000 1.119 577 T CB -0.470 68.308 68.868 -0.150 0.000 0.900 577 T HN 0.206 nan 8.240 nan 0.000 0.503 578 D N 0.995 121.039 120.400 -0.594 0.000 2.349 578 D HA 0.042 4.684 4.640 0.004 0.000 0.224 578 D C 1.920 177.980 176.300 -0.399 0.000 1.029 578 D CA 0.246 53.968 54.000 -0.464 0.000 0.879 578 D CB 0.048 40.567 40.800 -0.469 0.000 0.906 578 D HN 0.358 nan 8.370 nan 0.000 0.528 579 Q N 0.246 119.780 119.800 -0.444 0.000 2.389 579 Q HA 0.140 4.483 4.340 0.004 0.000 0.204 579 Q C 0.684 176.578 176.000 -0.177 0.000 0.944 579 Q CA 0.056 55.723 55.803 -0.227 0.000 0.908 579 Q CB -0.086 28.543 28.738 -0.182 0.000 1.002 579 Q HN 0.138 nan 8.270 nan 0.000 0.493 580 A N 1.290 123.910 122.820 -0.334 0.000 2.511 580 A HA 0.071 4.393 4.320 0.004 0.000 0.242 580 A C 1.232 178.257 177.584 -0.932 0.000 1.069 580 A CA -0.232 51.480 52.037 -0.542 0.000 0.763 580 A CB 0.165 18.965 19.000 -0.333 0.000 1.001 580 A HN 0.262 nan 8.150 nan 0.000 0.498 581 L N 4.245 124.434 121.223 -1.723 0.000 1.989 581 L HA -0.064 4.278 4.340 0.004 0.000 0.211 581 L C -0.764 175.536 176.870 -0.950 0.000 1.071 581 L CA 2.623 56.674 54.840 -1.315 0.000 0.749 581 L CB -1.321 39.714 42.059 -1.708 0.000 0.890 581 L HN 0.538 nan 8.230 nan 0.000 0.431 582 P HA -0.155 nan 4.420 nan 0.000 0.215 582 P C 1.570 178.627 177.300 -0.404 0.000 1.157 582 P CA 2.092 64.832 63.100 -0.601 0.000 0.868 582 P CB -0.223 31.181 31.700 -0.494 0.000 0.788 583 A N -0.190 122.389 122.820 -0.401 0.000 1.933 583 A HA -0.257 4.065 4.320 0.004 0.000 0.218 583 A C 2.191 179.625 177.584 -0.250 0.000 1.175 583 A CA 2.266 54.134 52.037 -0.281 0.000 0.628 583 A CB -1.679 17.156 19.000 -0.275 0.000 0.814 583 A HN 0.203 nan 8.150 nan 0.000 0.444 584 D N -0.134 120.096 120.400 -0.283 0.000 2.097 584 D HA -0.130 4.512 4.640 0.004 0.000 0.195 584 D C 1.815 178.039 176.300 -0.127 0.000 0.989 584 D CA 1.412 55.303 54.000 -0.182 0.000 0.827 584 D CB -0.236 40.480 40.800 -0.141 0.000 0.966 584 D HN 0.423 nan 8.370 nan 0.000 0.456 585 L N -0.011 121.109 121.223 -0.172 0.000 2.046 585 L HA -0.114 4.228 4.340 0.004 0.000 0.208 585 L C 2.641 179.467 176.870 -0.073 0.000 1.077 585 L CA 0.794 55.566 54.840 -0.112 0.000 0.747 585 L CB -0.421 41.524 42.059 -0.190 0.000 0.896 585 L HN 0.170 nan 8.230 nan 0.000 0.432 586 I N -0.154 120.350 120.570 -0.110 0.000 2.252 586 I HA -0.290 3.882 4.170 0.004 0.000 0.245 586 I C 2.720 178.799 176.117 -0.063 0.000 1.102 586 I CA 1.267 62.520 61.300 -0.079 0.000 1.385 586 I CB -0.273 37.669 38.000 -0.097 0.000 1.064 586 I HN 0.229 nan 8.210 nan 0.000 0.414 587 K N 1.276 121.626 120.400 -0.084 0.000 2.097 587 K HA -0.148 4.174 4.320 0.004 0.000 0.206 587 K C 2.054 178.630 176.600 -0.040 0.000 1.049 587 K CA 1.379 57.622 56.287 -0.073 0.000 0.933 587 K CB 0.011 32.448 32.500 -0.105 0.000 0.717 587 K HN 0.221 nan 8.250 nan 0.000 0.442 588 R N -0.708 119.781 120.500 -0.019 0.000 2.313 588 R HA 0.033 4.376 4.340 0.004 0.000 0.199 588 R C 0.722 177.049 176.300 0.046 0.000 0.958 588 R CA 0.561 56.672 56.100 0.018 0.000 1.047 588 R CB 0.235 30.566 30.300 0.050 0.000 0.955 588 R HN 0.501 nan 8.270 nan 0.000 0.481 589 G N 1.134 109.951 108.800 0.030 0.000 2.176 589 G HA2 -0.269 3.693 3.960 0.004 0.000 0.252 589 G HA3 -0.269 3.693 3.960 0.004 0.000 0.252 589 G C 0.581 175.559 174.900 0.129 0.000 1.024 589 G CA 0.482 45.606 45.100 0.041 0.000 0.755 589 G HN 0.344 nan 8.290 nan 0.000 0.507 590 V N -4.290 115.720 119.914 0.161 0.000 3.578 590 V HA 0.825 4.947 4.120 0.004 0.000 0.290 590 V C 0.781 176.970 176.094 0.158 0.000 1.376 590 V CA 0.837 63.292 62.300 0.259 0.000 1.083 590 V CB 0.116 32.120 31.823 0.301 0.000 0.911 590 V HN 1.967 nan 8.190 nan 0.000 0.433 591 A N 1.180 124.043 122.820 0.072 0.000 2.612 591 A HA 0.884 5.206 4.320 0.004 0.000 0.293 591 A C -1.267 176.315 177.584 -0.003 0.000 1.075 591 A CA -0.434 51.613 52.037 0.018 0.000 0.680 591 A CB 1.883 20.857 19.000 -0.044 0.000 1.279 591 A HN 0.984 nan 8.150 nan 0.000 0.411 592 I N -1.752 118.812 120.570 -0.010 0.000 2.785 592 I HA 0.674 4.846 4.170 0.004 0.000 0.302 592 I C -0.242 175.860 176.117 -0.025 0.000 1.069 592 I CA -0.915 60.375 61.300 -0.017 0.000 1.045 592 I CB 1.783 39.779 38.000 -0.006 0.000 1.236 592 I HN 0.644 nan 8.210 nan 0.000 0.429 593 K N 2.119 122.501 120.400 -0.030 0.000 2.448 593 K HA 0.179 4.501 4.320 0.004 0.000 0.278 593 K C -0.988 175.601 176.600 -0.018 0.000 1.009 593 K CA 0.364 56.633 56.287 -0.029 0.000 0.995 593 K CB 0.302 32.784 32.500 -0.029 0.000 0.917 593 K HN 0.824 nan 8.250 nan 0.000 0.481 594 D N 5.587 125.979 120.400 -0.014 0.000 2.337 594 D HA 0.206 4.849 4.640 0.004 0.000 0.238 594 D C -2.272 174.024 176.300 -0.007 0.000 1.331 594 D CA -1.847 52.148 54.000 -0.008 0.000 0.967 594 D CB 1.652 42.449 40.800 -0.005 0.000 1.382 594 D HN 0.223 nan 8.370 nan 0.000 0.549 595 P HA -0.117 nan 4.420 nan 0.000 0.221 595 P C 1.229 178.523 177.300 -0.010 0.000 1.145 595 P CA 0.950 64.046 63.100 -0.007 0.000 0.795 595 P CB 0.244 31.941 31.700 -0.006 0.000 0.775 596 S N -2.328 113.366 115.700 -0.010 0.000 2.561 596 S HA -0.003 4.469 4.470 0.004 0.000 0.225 596 S C 0.901 175.490 174.600 -0.018 0.000 0.977 596 S CA 0.259 58.452 58.200 -0.012 0.000 0.926 596 S CB -1.408 61.787 63.200 -0.009 0.000 0.769 596 S HN 0.216 nan 8.310 nan 0.000 0.533 597 T N -1.249 113.293 114.554 -0.019 0.000 2.929 597 T HA 0.541 4.894 4.350 0.004 0.000 0.284 597 T C -2.077 172.587 174.700 -0.061 0.000 1.014 597 T CA -1.853 60.228 62.100 -0.031 0.000 1.051 597 T CB 1.120 69.982 68.868 -0.010 0.000 1.028 597 T HN -0.147 nan 8.240 nan 0.000 0.485 598 P HA -0.127 nan 4.420 nan 0.000 0.216 598 P C 1.164 178.309 177.300 -0.259 0.000 1.153 598 P CA 1.210 64.167 63.100 -0.239 0.000 0.858 598 P CB -0.000 31.466 31.700 -0.390 0.000 0.789 599 H N -2.448 116.620 119.070 -0.003 0.000 2.539 599 H HA 0.263 4.821 4.556 0.004 0.000 0.269 599 H C 1.583 176.899 175.328 -0.020 0.000 0.980 599 H CA 1.104 57.150 56.048 -0.003 0.000 1.152 599 H CB -0.164 29.579 29.762 -0.032 0.000 1.407 599 H HN 0.186 nan 8.280 nan 0.000 0.564 600 G N 0.931 109.763 108.800 0.053 0.000 2.179 600 G HA2 -0.283 3.679 3.960 0.004 0.000 0.260 600 G HA3 -0.283 3.679 3.960 0.004 0.000 0.260 600 G C 0.374 175.274 174.900 -0.000 0.000 0.977 600 G CA 0.557 45.669 45.100 0.020 0.000 0.641 600 G HN 0.501 nan 8.290 nan 0.000 0.533 601 V N -3.314 116.604 119.914 0.007 0.000 2.971 601 V HA 0.888 5.010 4.120 0.004 0.000 0.309 601 V C -0.314 175.776 176.094 -0.006 0.000 1.130 601 V CA -1.056 61.230 62.300 -0.023 0.000 0.964 601 V CB 1.957 33.735 31.823 -0.075 0.000 1.029 601 V HN 0.618 nan 8.190 nan 0.000 0.427 602 R N 3.105 123.599 120.500 -0.010 0.000 2.343 602 R HA 0.692 5.034 4.340 0.004 0.000 0.320 602 R C -1.082 175.219 176.300 0.003 0.000 0.956 602 R CA -0.755 55.346 56.100 0.003 0.000 0.836 602 R CB 1.399 31.703 30.300 0.006 0.000 1.151 602 R HN 0.921 nan 8.270 nan 0.000 0.450 603 L N 5.931 127.157 121.223 0.005 0.000 2.416 603 L HA 0.115 4.458 4.340 0.004 0.000 0.272 603 L C 1.154 178.056 176.870 0.053 0.000 1.161 603 L CA -0.179 54.673 54.840 0.020 0.000 0.845 603 L CB 0.994 43.058 42.059 0.009 0.000 1.119 603 L HN 0.741 nan 8.230 nan 0.000 0.464 604 L N 4.056 125.337 121.223 0.097 0.000 2.509 604 L HA 0.172 4.515 4.340 0.004 0.000 0.222 604 L C 0.395 177.330 176.870 0.109 0.000 1.123 604 L CA 0.585 55.507 54.840 0.137 0.000 0.856 604 L CB 0.117 42.318 42.059 0.237 0.000 0.985 604 L HN 0.518 nan 8.230 nan 0.000 0.456 605 I N -0.326 120.268 120.570 0.041 0.000 2.437 605 I HA 0.085 4.257 4.170 0.004 0.000 0.279 605 I C 0.903 177.027 176.117 0.012 0.000 1.028 605 I CA -0.223 61.037 61.300 -0.067 0.000 1.142 605 I CB 1.626 39.475 38.000 -0.252 0.000 1.266 605 I HN 0.063 nan 8.210 nan 0.000 0.461 606 E N 2.616 122.815 120.200 -0.001 0.000 2.070 606 E HA -0.239 4.113 4.350 0.004 0.000 0.197 606 E C 0.363 176.976 176.600 0.022 0.000 1.004 606 E CA 1.342 57.750 56.400 0.013 0.000 0.805 606 E CB 0.110 29.813 29.700 0.005 0.000 0.744 606 E HN 0.516 nan 8.360 nan 0.000 0.451 607 D N -0.245 120.161 120.400 0.009 0.000 2.781 607 D HA -0.015 4.627 4.640 0.004 0.000 0.254 607 D C -1.528 174.792 176.300 0.035 0.000 1.213 607 D CA -0.330 53.681 54.000 0.017 0.000 0.994 607 D CB -0.365 40.436 40.800 0.001 0.000 1.019 607 D HN -0.022 nan 8.370 nan 0.000 0.514 608 Y N 2.506 122.743 120.300 -0.106 0.000 2.595 608 Y HA 0.375 4.926 4.550 0.003 0.000 0.336 608 Y C -1.918 173.902 175.900 -0.134 0.000 0.996 608 Y CA -2.993 55.029 58.100 -0.130 0.000 1.260 608 Y CB 1.193 39.579 38.460 -0.123 0.000 1.108 608 Y HN 0.141 nan 8.280 nan 0.000 0.509 609 P HA -0.280 nan 4.420 nan 0.000 0.214 609 P C 1.346 178.546 177.300 -0.168 0.000 1.163 609 P CA 1.879 64.886 63.100 -0.155 0.000 0.889 609 P CB -0.117 31.302 31.700 -0.470 0.000 0.790 610 Y N 0.713 120.854 120.300 -0.266 0.000 2.128 610 Y HA -0.249 4.304 4.550 0.004 0.000 0.284 610 Y C 2.336 178.157 175.900 -0.131 0.000 1.154 610 Y CA 1.894 59.959 58.100 -0.059 0.000 1.149 610 Y CB -1.198 37.307 38.460 0.076 0.000 0.976 610 Y HN -0.113 nan 8.280 nan 0.000 0.505 611 A N 0.559 122.923 122.820 -0.760 0.000 1.898 611 A HA -0.024 4.299 4.320 0.004 0.000 0.216 611 A C 2.443 179.717 177.584 -0.516 0.000 1.181 611 A CA 1.876 53.372 52.037 -0.903 0.000 0.620 611 A CB -1.514 16.733 19.000 -1.254 0.000 0.819 611 A HN 0.649 nan 8.150 nan 0.000 0.442 612 A N 0.039 122.672 122.820 -0.310 0.000 1.898 612 A HA -0.141 4.182 4.320 0.004 0.000 0.216 612 A C 1.736 179.252 177.584 -0.113 0.000 1.181 612 A CA 1.909 53.847 52.037 -0.166 0.000 0.620 612 A CB -0.529 18.437 19.000 -0.056 0.000 0.819 612 A HN 0.440 nan 8.150 nan 0.000 0.442 613 D N -0.349 120.023 120.400 -0.047 0.000 2.149 613 D HA -0.007 4.635 4.640 0.004 0.000 0.201 613 D C 2.085 178.396 176.300 0.019 0.000 0.972 613 D CA 1.297 55.330 54.000 0.054 0.000 0.835 613 D CB -0.727 40.198 40.800 0.209 0.000 0.966 613 D HN 0.401 nan 8.370 nan 0.000 0.476 614 G N 0.816 109.558 108.800 -0.097 0.000 2.440 614 G HA2 -0.220 3.742 3.960 0.004 0.000 0.218 614 G HA3 -0.220 3.742 3.960 0.004 0.000 0.218 614 G C 1.694 176.539 174.900 -0.090 0.000 1.154 614 G CA 0.354 45.436 45.100 -0.031 0.000 0.767 614 G HN 0.257 nan 8.290 nan 0.000 0.552 615 L N 0.199 121.237 121.223 -0.308 0.000 2.131 615 L HA -0.046 4.297 4.340 0.004 0.000 0.210 615 L C 2.917 179.617 176.870 -0.284 0.000 1.092 615 L CA 0.847 55.409 54.840 -0.464 0.000 0.759 615 L CB -0.227 41.339 42.059 -0.822 0.000 0.903 615 L HN 0.140 nan 8.230 nan 0.000 0.435 616 E N 0.139 120.274 120.200 -0.108 0.000 2.072 616 E HA -0.171 4.182 4.350 0.004 0.000 0.191 616 E C 2.288 178.981 176.600 0.156 0.000 0.985 616 E CA 1.100 57.548 56.400 0.080 0.000 0.801 616 E CB -0.105 29.650 29.700 0.091 0.000 0.750 616 E HN 0.387 nan 8.360 nan 0.000 0.452 617 I N 0.512 121.202 120.570 0.199 0.000 2.252 617 I HA -0.232 3.940 4.170 0.004 0.000 0.245 617 I C 2.411 178.747 176.117 0.365 0.000 1.102 617 I CA 0.858 62.338 61.300 0.299 0.000 1.385 617 I CB -1.222 37.006 38.000 0.381 0.000 1.064 617 I HN 0.310 nan 8.210 nan 0.000 0.414 618 W N 2.613 123.985 121.300 0.118 0.000 2.335 618 W HA -0.275 4.387 4.660 0.003 0.000 0.311 618 W C 2.510 179.037 176.519 0.013 0.000 1.213 618 W CA 2.412 59.730 57.345 -0.045 0.000 1.274 618 W CB -0.182 29.009 29.460 -0.448 0.000 1.148 618 W HN 0.149 nan 8.180 nan 0.000 0.498 619 A N 0.957 123.885 122.820 0.180 0.000 1.933 619 A HA -0.078 4.244 4.320 0.004 0.000 0.218 619 A C 2.198 179.831 177.584 0.082 0.000 1.175 619 A CA 2.755 54.873 52.037 0.134 0.000 0.628 619 A CB -1.308 17.873 19.000 0.302 0.000 0.814 619 A HN 0.357 nan 8.150 nan 0.000 0.444 620 A N -0.058 122.860 122.820 0.163 0.000 1.902 620 A HA -0.062 4.261 4.320 0.004 0.000 0.217 620 A C 2.111 179.839 177.584 0.240 0.000 1.181 620 A CA 1.500 53.689 52.037 0.252 0.000 0.623 620 A CB -0.584 18.609 19.000 0.321 0.000 0.818 620 A HN 0.497 nan 8.150 nan 0.000 0.443 621 I N -0.582 120.080 120.570 0.154 0.000 2.252 621 I HA -0.252 3.921 4.170 0.004 0.000 0.245 621 I C 2.522 178.521 176.117 -0.198 0.000 1.102 621 I CA 1.777 63.046 61.300 -0.051 0.000 1.385 621 I CB -0.246 37.743 38.000 -0.018 0.000 1.064 621 I HN 0.368 nan 8.210 nan 0.000 0.414 622 K N 0.706 120.923 120.400 -0.305 0.000 2.032 622 K HA -0.191 4.131 4.320 0.004 0.000 0.209 622 K C 2.078 178.588 176.600 -0.150 0.000 1.048 622 K CA 2.018 58.108 56.287 -0.328 0.000 0.927 622 K CB -0.106 32.156 32.500 -0.396 0.000 0.712 622 K HN 0.209 nan 8.250 nan 0.000 0.441 623 T N 0.733 115.260 114.554 -0.045 0.000 2.746 623 T HA -0.195 4.157 4.350 0.004 0.000 0.267 623 T C 1.186 175.934 174.700 0.080 0.000 1.039 623 T CA 1.396 63.515 62.100 0.033 0.000 1.142 623 T CB -0.337 68.587 68.868 0.093 0.000 0.866 623 T HN 0.537 nan 8.240 nan 0.000 0.444 624 W N 1.634 122.822 121.300 -0.187 0.000 2.354 624 W HA -0.172 4.490 4.660 0.003 0.000 0.315 624 W C 1.714 178.151 176.519 -0.136 0.000 1.206 624 W CA 0.583 57.781 57.345 -0.245 0.000 1.290 624 W CB -0.460 28.514 29.460 -0.810 0.000 1.152 624 W HN 0.024 nan 8.180 nan 0.000 0.489 625 V N 1.767 121.418 119.914 -0.439 0.000 2.343 625 V HA -0.338 3.785 4.120 0.004 0.000 0.247 625 V C 2.430 178.381 176.094 -0.238 0.000 1.051 625 V CA 2.310 64.311 62.300 -0.498 0.000 1.036 625 V CB -1.144 30.450 31.823 -0.382 0.000 0.654 625 V HN 0.276 nan 8.190 nan 0.000 0.451 626 Q N -0.680 119.033 119.800 -0.144 0.000 2.291 626 Q HA -0.219 4.124 4.340 0.004 0.000 0.205 626 Q C 2.256 178.239 176.000 -0.029 0.000 0.970 626 Q CA 1.471 57.230 55.803 -0.072 0.000 0.876 626 Q CB -0.010 28.698 28.738 -0.051 0.000 0.935 626 Q HN 0.718 nan 8.270 nan 0.000 0.455 627 E N -0.753 119.447 120.200 -0.001 0.000 2.276 627 E HA -0.117 4.235 4.350 0.004 0.000 0.193 627 E C 1.369 177.998 176.600 0.048 0.000 0.983 627 E CA 0.081 56.514 56.400 0.055 0.000 0.861 627 E CB 0.163 29.956 29.700 0.155 0.000 0.817 627 E HN 0.329 nan 8.360 nan 0.000 0.485 628 Y N 0.524 120.710 120.300 -0.191 0.000 2.176 628 Y HA -0.157 4.395 4.550 0.004 0.000 0.291 628 Y C 2.037 177.927 175.900 -0.016 0.000 1.122 628 Y CA 1.310 59.293 58.100 -0.194 0.000 1.128 628 Y CB -0.271 37.797 38.460 -0.652 0.000 1.005 628 Y HN -0.151 nan 8.280 nan 0.000 0.509 629 V N 1.474 121.440 119.914 0.087 0.000 2.282 629 V HA -0.288 3.834 4.120 0.004 0.000 0.249 629 V C -0.516 175.642 176.094 0.106 0.000 1.057 629 V CA 2.594 64.970 62.300 0.126 0.000 1.032 629 V CB -1.859 29.989 31.823 0.041 0.000 0.645 629 V HN 0.319 nan 8.190 nan 0.000 0.447 630 P HA -0.121 nan 4.420 nan 0.000 0.221 630 P C 1.704 178.929 177.300 -0.125 0.000 1.145 630 P CA 1.208 64.297 63.100 -0.020 0.000 0.795 630 P CB -0.104 31.576 31.700 -0.033 0.000 0.775 631 L N -3.295 117.768 121.223 -0.266 0.000 2.362 631 L HA -0.115 4.227 4.340 0.004 0.000 0.219 631 L C 1.355 177.684 176.870 -0.902 0.000 1.134 631 L CA 1.378 55.859 54.840 -0.597 0.000 0.807 631 L CB -0.493 41.076 42.059 -0.816 0.000 0.927 631 L HN 0.081 nan 8.230 nan 0.000 0.447 632 Y N -3.256 116.912 120.300 -0.221 0.000 2.448 632 Y HA 0.210 4.762 4.550 0.004 0.000 0.257 632 Y C -0.357 175.223 175.900 -0.534 0.000 1.089 632 Y CA -0.792 57.088 58.100 -0.367 0.000 1.245 632 Y CB 0.544 38.744 38.460 -0.432 0.000 1.282 632 Y HN -0.105 nan 8.280 nan 0.000 0.529 633 Y N -0.714 119.582 120.300 -0.006 0.000 2.327 633 Y HA 0.595 5.148 4.550 0.004 0.000 0.325 633 Y C 0.696 176.578 175.900 -0.031 0.000 0.999 633 Y CA -1.062 57.036 58.100 -0.004 0.000 1.195 633 Y CB 1.518 39.988 38.460 0.015 0.000 1.132 633 Y HN -0.014 nan 8.280 nan 0.000 0.455 634 A N 3.801 126.660 122.820 0.065 0.000 1.930 634 A HA 0.187 4.509 4.320 0.004 0.000 0.215 634 A C 0.908 178.519 177.584 0.045 0.000 1.176 634 A CA 0.921 52.974 52.037 0.027 0.000 0.632 634 A CB 0.143 19.137 19.000 -0.008 0.000 0.819 634 A HN 0.731 nan 8.150 nan 0.000 0.445 635 R N -1.652 118.889 120.500 0.069 0.000 2.855 635 R HA 0.340 4.682 4.340 0.004 0.000 0.266 635 R C -0.609 175.733 176.300 0.070 0.000 1.034 635 R CA -0.597 55.535 56.100 0.054 0.000 0.944 635 R CB 0.632 30.954 30.300 0.037 0.000 1.219 635 R HN 0.003 nan 8.270 nan 0.000 0.474 636 D N 0.762 121.188 120.400 0.043 0.000 2.182 636 D HA -0.143 4.499 4.640 0.004 0.000 0.201 636 D C 0.629 176.959 176.300 0.050 0.000 0.986 636 D CA 1.581 55.601 54.000 0.034 0.000 0.847 636 D CB 0.050 40.861 40.800 0.018 0.000 0.942 636 D HN 0.448 nan 8.370 nan 0.000 0.467 637 D N 0.667 121.100 120.400 0.055 0.000 2.178 637 D HA -0.098 4.544 4.640 0.004 0.000 0.202 637 D C 1.452 177.807 176.300 0.091 0.000 0.974 637 D CA 0.662 54.698 54.000 0.060 0.000 0.841 637 D CB -0.121 40.706 40.800 0.045 0.000 0.953 637 D HN 0.165 nan 8.370 nan 0.000 0.478 638 D N -0.305 120.169 120.400 0.125 0.000 2.219 638 D HA -0.073 4.569 4.640 0.004 0.000 0.205 638 D C 2.044 178.538 176.300 0.324 0.000 0.970 638 D CA 0.380 54.495 54.000 0.192 0.000 0.851 638 D CB 0.233 41.152 40.800 0.198 0.000 0.943 638 D HN 0.147 nan 8.370 nan 0.000 0.488 639 V N 0.888 120.940 119.914 0.230 0.000 2.446 639 V HA -0.133 3.989 4.120 0.004 0.000 0.244 639 V C 2.437 178.594 176.094 0.106 0.000 1.039 639 V CA 1.041 63.404 62.300 0.105 0.000 1.045 639 V CB -0.305 31.462 31.823 -0.092 0.000 0.681 639 V HN 0.085 nan 8.190 nan 0.000 0.459 640 K N 0.721 121.172 120.400 0.084 0.000 2.147 640 K HA -0.158 4.164 4.320 0.004 0.000 0.205 640 K C 1.518 178.175 176.600 0.095 0.000 1.049 640 K CA 1.904 58.235 56.287 0.074 0.000 0.936 640 K CB -0.201 32.332 32.500 0.055 0.000 0.722 640 K HN 0.569 nan 8.250 nan 0.000 0.446 641 N N 0.738 119.505 118.700 0.112 0.000 2.398 641 N HA -0.061 4.682 4.740 0.004 0.000 0.188 641 N C -0.578 175.017 175.510 0.142 0.000 1.122 641 N CA -0.233 52.883 53.050 0.109 0.000 0.866 641 N CB 0.288 38.827 38.487 0.087 0.000 0.970 641 N HN 0.138 nan 8.380 nan 0.000 0.462 642 D N 0.570 121.087 120.400 0.195 0.000 2.352 642 D HA 0.046 4.688 4.640 0.004 0.000 0.245 642 D C 0.798 177.243 176.300 0.241 0.000 1.224 642 D CA 0.139 54.285 54.000 0.244 0.000 0.879 642 D CB 1.215 42.240 40.800 0.376 0.000 1.057 642 D HN -0.075 nan 8.370 nan 0.000 0.491 643 S N 3.542 119.379 115.700 0.229 0.000 2.368 643 S HA -0.171 4.302 4.470 0.004 0.000 0.225 643 S C 1.505 176.350 174.600 0.408 0.000 1.030 643 S CA 1.243 59.621 58.200 0.298 0.000 0.999 643 S CB 0.080 63.424 63.200 0.240 0.000 0.844 643 S HN 0.576 nan 8.310 nan 0.000 0.459 644 E N 0.060 120.446 120.200 0.311 0.000 2.047 644 E HA -0.122 4.231 4.350 0.004 0.000 0.191 644 E C 2.077 178.859 176.600 0.303 0.000 0.987 644 E CA 1.147 57.722 56.400 0.292 0.000 0.799 644 E CB -0.251 29.584 29.700 0.225 0.000 0.752 644 E HN 0.343 nan 8.360 nan 0.000 0.449 645 L N 1.314 122.702 121.223 0.275 0.000 2.012 645 L HA -0.236 4.107 4.340 0.004 0.000 0.210 645 L C 2.215 179.334 176.870 0.415 0.000 1.073 645 L CA 1.723 56.740 54.840 0.294 0.000 0.748 645 L CB -0.274 41.943 42.059 0.263 0.000 0.891 645 L HN 0.061 nan 8.230 nan 0.000 0.431 646 Q N -1.177 118.795 119.800 0.288 0.000 2.119 646 Q HA -0.208 4.135 4.340 0.004 0.000 0.201 646 Q C 2.243 178.291 176.000 0.079 0.000 0.972 646 Q CA 1.813 57.722 55.803 0.176 0.000 0.847 646 Q CB -0.499 28.273 28.738 0.057 0.000 0.903 646 Q HN 0.654 nan 8.270 nan 0.000 0.433 647 H N -1.169 117.960 119.070 0.098 0.000 2.389 647 H HA -0.128 4.431 4.556 0.004 0.000 0.299 647 H C 1.538 176.740 175.328 -0.210 0.000 1.081 647 H CA 1.497 57.476 56.048 -0.115 0.000 1.345 647 H CB -0.257 29.412 29.762 -0.156 0.000 1.393 647 H HN 0.357 nan 8.280 nan 0.000 0.520 648 W N 0.580 121.880 121.300 0.001 0.000 2.332 648 W HA -0.247 4.415 4.660 0.003 0.000 0.321 648 W C 2.296 178.901 176.519 0.144 0.000 1.219 648 W CA 1.438 58.848 57.345 0.108 0.000 1.277 648 W CB -0.776 28.802 29.460 0.198 0.000 1.161 648 W HN 0.318 nan 8.180 nan 0.000 0.476 649 W N 1.961 123.169 121.300 -0.153 0.000 2.358 649 W HA -0.229 4.433 4.660 0.004 0.000 0.303 649 W C 2.296 178.588 176.519 -0.378 0.000 1.208 649 W CA 1.953 59.017 57.345 -0.467 0.000 1.274 649 W CB -0.508 28.829 29.460 -0.205 0.000 1.138 649 W HN -0.027 nan 8.180 nan 0.000 0.515 650 K N 0.764 121.023 120.400 -0.236 0.000 2.097 650 K HA -0.268 4.054 4.320 0.004 0.000 0.206 650 K C 2.016 178.357 176.600 -0.431 0.000 1.049 650 K CA 1.953 58.031 56.287 -0.349 0.000 0.933 650 K CB -0.447 31.916 32.500 -0.228 0.000 0.717 650 K HN 0.129 nan 8.250 nan 0.000 0.442 651 E N -0.406 119.582 120.200 -0.353 0.000 2.112 651 E HA -0.112 4.240 4.350 0.004 0.000 0.190 651 E C 1.803 178.146 176.600 -0.428 0.000 0.979 651 E CA 0.719 56.941 56.400 -0.296 0.000 0.814 651 E CB -0.054 29.601 29.700 -0.077 0.000 0.762 651 E HN 0.424 nan 8.360 nan 0.000 0.460 652 A N 0.513 123.022 122.820 -0.518 0.000 1.908 652 A HA -0.163 4.159 4.320 0.004 0.000 0.218 652 A C 2.325 179.420 177.584 -0.816 0.000 1.181 652 A CA 1.614 53.278 52.037 -0.621 0.000 0.627 652 A CB -0.588 17.989 19.000 -0.705 0.000 0.818 652 A HN 0.216 nan 8.150 nan 0.000 0.445 653 V N -0.320 118.936 119.914 -1.097 0.000 2.302 653 V HA -0.169 3.953 4.120 0.004 0.000 0.243 653 V C 2.296 177.904 176.094 -0.809 0.000 1.036 653 V CA 1.963 63.488 62.300 -1.291 0.000 1.020 653 V CB -0.814 29.951 31.823 -1.763 0.000 0.657 653 V HN 0.613 nan 8.190 nan 0.000 0.453 654 E N -0.253 119.561 120.200 -0.643 0.000 2.274 654 E HA -0.127 4.225 4.350 0.004 0.000 0.194 654 E C 1.909 178.286 176.600 -0.372 0.000 0.996 654 E CA 0.688 56.830 56.400 -0.431 0.000 0.840 654 E CB 0.126 29.621 29.700 -0.342 0.000 0.772 654 E HN 0.429 nan 8.360 nan 0.000 0.491 655 K N -0.730 119.383 120.400 -0.479 0.000 2.309 655 K HA 0.120 4.442 4.320 0.004 0.000 0.210 655 K C 2.107 178.261 176.600 -0.744 0.000 1.114 655 K CA 0.815 56.750 56.287 -0.587 0.000 0.912 655 K CB -0.840 31.224 32.500 -0.725 0.000 1.198 655 K HN 0.101 nan 8.250 nan 0.000 0.471 656 G N 1.803 110.080 108.800 -0.872 0.000 2.459 656 G HA2 -0.219 3.743 3.960 0.004 0.000 0.217 656 G HA3 -0.219 3.743 3.960 0.004 0.000 0.217 656 G C 0.966 175.520 174.900 -0.576 0.000 1.183 656 G CA 0.927 45.610 45.100 -0.696 0.000 0.776 656 G HN 0.308 nan 8.290 nan 0.000 0.552 657 H N 0.341 119.186 119.070 -0.375 0.000 2.481 657 H HA 0.247 4.805 4.556 0.004 0.000 0.273 657 H C 2.158 177.456 175.328 -0.050 0.000 1.145 657 H CA 0.186 56.175 56.048 -0.098 0.000 0.964 657 H CB 0.367 30.196 29.762 0.111 0.000 1.722 657 H HN 0.332 nan 8.280 nan 0.000 0.573 658 G N 0.553 109.288 108.800 -0.108 0.000 2.485 658 G HA2 -0.253 3.710 3.960 0.004 0.000 0.221 658 G HA3 -0.253 3.710 3.960 0.004 0.000 0.221 658 G C 1.206 176.120 174.900 0.024 0.000 1.115 658 G CA 0.513 45.550 45.100 -0.104 0.000 0.751 658 G HN 0.323 nan 8.290 nan 0.000 0.567 659 D N 0.027 120.505 120.400 0.130 0.000 2.378 659 D HA 0.013 4.656 4.640 0.004 0.000 0.222 659 D C 1.831 178.245 176.300 0.190 0.000 0.980 659 D CA 0.467 54.572 54.000 0.176 0.000 0.907 659 D CB 0.163 41.124 40.800 0.270 0.000 0.899 659 D HN 0.347 nan 8.370 nan 0.000 0.527 660 L N 0.400 121.768 121.223 0.242 0.000 3.014 660 L HA 0.167 4.509 4.340 0.004 0.000 0.263 660 L C 1.853 178.882 176.870 0.266 0.000 1.207 660 L CA -0.161 54.832 54.840 0.255 0.000 1.017 660 L CB 0.351 42.648 42.059 0.396 0.000 1.360 660 L HN -0.072 nan 8.230 nan 0.000 0.560 661 K N -0.163 120.293 120.400 0.094 0.000 2.283 661 K HA -0.150 4.173 4.320 0.004 0.000 0.202 661 K C 1.007 177.583 176.600 -0.040 0.000 1.048 661 K CA 1.439 57.684 56.287 -0.069 0.000 0.948 661 K CB -0.151 32.241 32.500 -0.180 0.000 0.742 661 K HN 0.307 nan 8.250 nan 0.000 0.458 662 D N 0.916 121.306 120.400 -0.016 0.000 2.349 662 D HA -0.048 4.594 4.640 0.004 0.000 0.224 662 D C -0.238 176.007 176.300 -0.091 0.000 1.029 662 D CA 0.222 54.197 54.000 -0.041 0.000 0.879 662 D CB 0.088 40.875 40.800 -0.021 0.000 0.906 662 D HN -0.009 nan 8.370 nan 0.000 0.528 663 K N 1.390 121.678 120.400 -0.185 0.000 2.218 663 K HA 0.218 4.541 4.320 0.004 0.000 0.276 663 K C -1.665 174.631 176.600 -0.507 0.000 1.022 663 K CA -1.916 54.067 56.287 -0.507 0.000 0.946 663 K CB 1.216 32.994 32.500 -1.204 0.000 1.000 663 K HN -0.103 nan 8.250 nan 0.000 0.468 664 P HA -0.045 nan 4.420 nan 0.000 0.229 664 P C 0.744 177.992 177.300 -0.086 0.000 1.160 664 P CA 0.761 63.764 63.100 -0.161 0.000 0.777 664 P CB 0.062 31.734 31.700 -0.046 0.000 0.814 665 W N -2.720 118.567 121.300 -0.022 0.000 3.180 665 W HA 0.161 4.823 4.660 0.004 0.000 0.254 665 W C -0.423 176.107 176.519 0.017 0.000 1.318 665 W CA -0.926 56.387 57.345 -0.054 0.000 1.608 665 W CB -1.289 28.072 29.460 -0.165 0.000 1.124 665 W HN -0.132 nan 8.180 nan 0.000 0.694 666 W N 4.008 125.399 121.300 0.150 0.000 2.264 666 W HA 0.192 4.855 4.660 0.004 0.000 0.331 666 W C -1.725 174.992 176.519 0.330 0.000 1.364 666 W CA -1.379 56.145 57.345 0.298 0.000 1.253 666 W CB -0.155 29.323 29.460 0.029 0.000 1.215 666 W HN -0.373 nan 8.180 nan 0.000 0.561 667 P HA -0.033 nan 4.420 nan 0.000 0.270 667 P C 0.539 178.066 177.300 0.379 0.000 1.223 667 P CA -0.038 63.310 63.100 0.413 0.000 0.785 667 P CB 0.836 32.716 31.700 0.300 0.000 0.923 668 K N 1.105 121.616 120.400 0.186 0.000 2.262 668 K HA 0.115 4.438 4.320 0.004 0.000 0.200 668 K C 0.568 177.192 176.600 0.040 0.000 1.049 668 K CA -0.016 56.359 56.287 0.148 0.000 0.979 668 K CB -0.591 31.970 32.500 0.101 0.000 0.773 668 K HN 0.289 nan 8.250 nan 0.000 0.474 669 L N 1.814 122.975 121.223 -0.103 0.000 3.597 669 L HA -0.204 4.139 4.340 0.004 0.000 0.440 669 L C -0.061 176.780 176.870 -0.049 0.000 1.277 669 L CA 0.605 55.344 54.840 -0.168 0.000 0.852 669 L CB -0.783 41.089 42.059 -0.312 0.000 1.708 669 L HN 0.197 nan 8.230 nan 0.000 0.885 670 Q N -1.165 118.620 119.800 -0.024 0.000 2.164 670 Q HA 0.400 4.742 4.340 0.004 0.000 0.226 670 Q C 0.721 176.717 176.000 -0.007 0.000 0.813 670 Q CA 0.876 56.681 55.803 0.002 0.000 0.978 670 Q CB 1.117 29.868 28.738 0.021 0.000 1.149 670 Q HN 0.745 nan 8.270 nan 0.000 0.489 671 T N -3.884 110.650 114.554 -0.032 0.000 2.864 671 T HA 0.540 4.892 4.350 0.004 0.000 0.299 671 T C 0.937 175.596 174.700 -0.068 0.000 1.166 671 T CA -0.707 61.373 62.100 -0.032 0.000 1.007 671 T CB 0.907 69.764 68.868 -0.017 0.000 1.219 671 T HN -0.061 nan 8.240 nan 0.000 0.506 672 L N 0.386 121.575 121.223 -0.056 0.000 2.131 672 L HA 0.006 4.349 4.340 0.004 0.000 0.210 672 L C 2.899 179.723 176.870 -0.077 0.000 1.092 672 L CA 1.499 56.291 54.840 -0.079 0.000 0.759 672 L CB -0.418 41.621 42.059 -0.034 0.000 0.903 672 L HN 0.883 nan 8.230 nan 0.000 0.435 673 E N 0.365 120.534 120.200 -0.051 0.000 2.051 673 E HA -0.244 4.108 4.350 0.004 0.000 0.192 673 E C 1.595 178.164 176.600 -0.051 0.000 0.991 673 E CA 1.558 57.934 56.400 -0.041 0.000 0.799 673 E CB 0.152 29.841 29.700 -0.019 0.000 0.748 673 E HN 0.408 nan 8.360 nan 0.000 0.449 674 D N 0.380 120.744 120.400 -0.060 0.000 2.144 674 D HA -0.151 4.492 4.640 0.004 0.000 0.199 674 D C 1.891 178.111 176.300 -0.133 0.000 0.984 674 D CA 0.507 54.460 54.000 -0.079 0.000 0.834 674 D CB -0.222 40.526 40.800 -0.087 0.000 0.955 674 D HN 0.163 nan 8.370 nan 0.000 0.465 675 L N 0.399 121.530 121.223 -0.154 0.000 2.046 675 L HA -0.120 4.222 4.340 0.004 0.000 0.208 675 L C 2.129 178.920 176.870 -0.132 0.000 1.077 675 L CA 1.311 56.045 54.840 -0.176 0.000 0.747 675 L CB -0.489 41.419 42.059 -0.253 0.000 0.896 675 L HN -0.104 nan 8.230 nan 0.000 0.432 676 V N -0.038 119.805 119.914 -0.118 0.000 2.295 676 V HA -0.314 3.808 4.120 0.004 0.000 0.246 676 V C 2.582 178.615 176.094 -0.101 0.000 1.049 676 V CA 2.010 64.241 62.300 -0.115 0.000 1.024 676 V CB -0.711 31.050 31.823 -0.103 0.000 0.648 676 V HN 0.638 nan 8.190 nan 0.000 0.447 677 E N 0.132 120.293 120.200 -0.065 0.000 2.038 677 E HA -0.223 4.129 4.350 0.004 0.000 0.195 677 E C 2.215 178.831 176.600 0.027 0.000 1.000 677 E CA 2.055 58.444 56.400 -0.018 0.000 0.803 677 E CB -0.126 29.585 29.700 0.019 0.000 0.750 677 E HN 0.374 nan 8.360 nan 0.000 0.448 678 V N 0.604 120.535 119.914 0.029 0.000 2.343 678 V HA -0.332 3.790 4.120 0.004 0.000 0.247 678 V C 2.583 178.770 176.094 0.154 0.000 1.051 678 V CA 1.784 64.164 62.300 0.134 0.000 1.036 678 V CB -0.435 31.255 31.823 -0.222 0.000 0.654 678 V HN 0.569 nan 8.190 nan 0.000 0.451 679 C N -0.635 118.692 119.300 0.044 0.000 2.446 679 C HA -0.086 4.376 4.460 0.004 0.000 0.277 679 C C 2.625 177.584 174.990 -0.052 0.000 1.275 679 C CA 0.859 59.883 59.018 0.009 0.000 1.727 679 C CB -1.009 26.681 27.740 -0.084 0.000 2.010 679 C HN 0.620 nan 8.230 nan 0.000 0.486 680 L N 1.220 122.371 121.223 -0.119 0.000 2.012 680 L HA -0.093 4.249 4.340 0.004 0.000 0.210 680 L C 2.186 179.002 176.870 -0.088 0.000 1.073 680 L CA 1.930 56.632 54.840 -0.230 0.000 0.748 680 L CB -0.717 41.098 42.059 -0.406 0.000 0.891 680 L HN 0.330 nan 8.230 nan 0.000 0.431 681 I N -0.888 119.700 120.570 0.029 0.000 2.226 681 I HA -0.318 3.854 4.170 0.004 0.000 0.245 681 I C 2.453 178.693 176.117 0.205 0.000 1.100 681 I CA 1.532 62.913 61.300 0.135 0.000 1.374 681 I CB -0.284 37.608 38.000 -0.180 0.000 1.057 681 I HN 0.250 nan 8.210 nan 0.000 0.413 682 I N 0.777 121.457 120.570 0.184 0.000 2.163 682 I HA -0.319 3.853 4.170 0.004 0.000 0.243 682 I C 2.465 178.672 176.117 0.150 0.000 1.085 682 I CA 1.749 63.169 61.300 0.201 0.000 1.347 682 I CB -0.242 37.870 38.000 0.188 0.000 1.044 682 I HN 0.157 nan 8.210 nan 0.000 0.408 683 I N -0.258 120.324 120.570 0.020 0.000 2.286 683 I HA -0.321 3.851 4.170 0.004 0.000 0.248 683 I C 2.457 178.587 176.117 0.022 0.000 1.115 683 I CA 1.335 62.530 61.300 -0.174 0.000 1.392 683 I CB -0.499 37.284 38.000 -0.362 0.000 1.065 683 I HN 0.541 nan 8.210 nan 0.000 0.418 684 W N 2.309 123.621 121.300 0.019 0.000 2.355 684 W HA -0.209 4.454 4.660 0.004 0.000 0.309 684 W C 2.254 178.894 176.519 0.201 0.000 1.206 684 W CA 1.559 59.000 57.345 0.160 0.000 1.284 684 W CB -0.308 29.353 29.460 0.335 0.000 1.145 684 W HN 0.054 nan 8.180 nan 0.000 0.502 685 I N 1.588 122.228 120.570 0.117 0.000 2.163 685 I HA -0.313 3.859 4.170 0.004 0.000 0.243 685 I C 2.760 178.904 176.117 0.045 0.000 1.085 685 I CA 1.891 63.231 61.300 0.068 0.000 1.347 685 I CB -1.009 37.149 38.000 0.263 0.000 1.044 685 I HN -0.022 nan 8.210 nan 0.000 0.408 686 A N 0.154 123.036 122.820 0.104 0.000 2.014 686 A HA -0.134 4.188 4.320 0.004 0.000 0.218 686 A C 2.314 179.973 177.584 0.125 0.000 1.163 686 A CA 1.906 54.016 52.037 0.122 0.000 0.652 686 A CB -0.415 18.713 19.000 0.215 0.000 0.808 686 A HN 0.552 nan 8.150 nan 0.000 0.449 687 S N -0.862 114.888 115.700 0.082 0.000 2.696 687 S HA 0.457 4.929 4.470 0.004 0.000 0.172 687 S C 2.166 176.786 174.600 0.032 0.000 0.767 687 S CA 0.695 58.968 58.200 0.121 0.000 0.856 687 S CB -0.914 62.386 63.200 0.167 0.000 0.782 687 S HN 0.772 nan 8.310 nan 0.000 0.582 688 A N 1.385 124.113 122.820 -0.153 0.000 1.902 688 A HA 0.073 4.396 4.320 0.004 0.000 0.217 688 A C 2.297 179.641 177.584 -0.400 0.000 1.181 688 A CA 1.704 53.569 52.037 -0.288 0.000 0.623 688 A CB -1.124 17.616 19.000 -0.432 0.000 0.818 688 A HN 0.545 nan 8.150 nan 0.000 0.443 689 L N -0.692 120.090 121.223 -0.735 0.000 1.994 689 L HA -0.191 4.152 4.340 0.004 0.000 0.208 689 L C 2.461 179.308 176.870 -0.037 0.000 1.071 689 L CA 2.731 57.351 54.840 -0.366 0.000 0.745 689 L CB -0.813 41.016 42.059 -0.384 0.000 0.892 689 L HN 0.651 nan 8.230 nan 0.000 0.431 690 H N -0.501 118.535 119.070 -0.058 0.000 2.353 690 H HA -0.127 4.431 4.556 0.004 0.000 0.300 690 H C 1.879 177.265 175.328 0.097 0.000 1.090 690 H CA 1.492 57.569 56.048 0.047 0.000 1.327 690 H CB 0.247 30.033 29.762 0.041 0.000 1.383 690 H HN 0.484 nan 8.280 nan 0.000 0.508 691 A N 1.281 124.163 122.820 0.103 0.000 1.902 691 A HA -0.080 4.242 4.320 0.004 0.000 0.217 691 A C 2.722 180.389 177.584 0.138 0.000 1.181 691 A CA 1.773 53.969 52.037 0.265 0.000 0.623 691 A CB -1.095 18.099 19.000 0.324 0.000 0.818 691 A HN 0.573 nan 8.150 nan 0.000 0.443 692 A N -0.252 122.625 122.820 0.094 0.000 1.972 692 A HA 0.014 4.336 4.320 0.004 0.000 0.219 692 A C 2.136 179.748 177.584 0.047 0.000 1.169 692 A CA 2.091 54.199 52.037 0.118 0.000 0.635 692 A CB -0.904 18.265 19.000 0.283 0.000 0.810 692 A HN 1.208 nan 8.150 nan 0.000 0.446 693 V N -2.837 117.071 119.914 -0.010 0.000 3.590 693 V HA 0.132 4.254 4.120 0.004 0.000 0.265 693 V C 1.419 177.472 176.094 -0.067 0.000 1.239 693 V CA 1.656 63.982 62.300 0.043 0.000 1.117 693 V CB -0.710 31.175 31.823 0.104 0.000 0.818 693 V HN 0.499 nan 8.190 nan 0.000 0.451 694 N N 0.190 118.679 118.700 -0.353 0.000 2.508 694 N HA 0.180 4.923 4.740 0.004 0.000 0.186 694 N C 1.192 176.366 175.510 -0.561 0.000 1.034 694 N CA 0.721 53.382 53.050 -0.648 0.000 0.885 694 N CB -0.073 37.706 38.487 -1.180 0.000 1.135 694 N HN 0.367 nan 8.380 nan 0.000 0.435 695 F N 0.020 119.904 119.950 -0.110 0.000 2.802 695 F HA 0.321 4.850 4.527 0.004 0.000 0.300 695 F C 1.975 177.805 175.800 0.051 0.000 1.168 695 F CA 0.440 58.399 58.000 -0.068 0.000 1.433 695 F CB -0.090 38.834 39.000 -0.125 0.000 1.115 695 F HN 0.147 nan 8.300 nan 0.000 0.582 696 G N -1.232 107.681 108.800 0.188 0.000 3.189 696 G HA2 0.007 3.969 3.960 0.004 0.000 0.225 696 G HA3 0.007 3.969 3.960 0.004 0.000 0.225 696 G C 1.330 176.387 174.900 0.261 0.000 1.159 696 G CA -0.103 45.229 45.100 0.387 0.000 0.763 696 G HN 0.259 nan 8.290 nan 0.000 0.549 697 Q N -0.496 119.378 119.800 0.124 0.000 2.002 697 Q HA -0.186 4.156 4.340 0.004 0.000 0.204 697 Q C 1.979 178.050 176.000 0.119 0.000 0.988 697 Q CA 1.542 57.400 55.803 0.092 0.000 0.843 697 Q CB -0.225 28.552 28.738 0.066 0.000 0.908 697 Q HN 0.595 nan 8.270 nan 0.000 0.420 698 Y N 0.784 121.113 120.300 0.048 0.000 2.286 698 Y HA -0.059 4.494 4.550 0.004 0.000 0.293 698 Y C -0.973 174.922 175.900 -0.008 0.000 1.124 698 Y CA 0.805 58.923 58.100 0.032 0.000 1.178 698 Y CB -0.603 37.889 38.460 0.052 0.000 1.010 698 Y HN 0.083 nan 8.280 nan 0.000 0.536 699 P HA -0.192 nan 4.420 nan 0.000 0.216 699 P C 0.706 177.787 177.300 -0.364 0.000 1.150 699 P CA 2.009 64.998 63.100 -0.185 0.000 0.843 699 P CB -0.124 31.273 31.700 -0.507 0.000 0.787 700 Y N -1.971 118.248 120.300 -0.135 0.000 2.441 700 Y HA 0.271 4.823 4.550 0.003 0.000 0.288 700 Y C 2.521 178.299 175.900 -0.204 0.000 1.118 700 Y CA 1.108 59.124 58.100 -0.141 0.000 1.215 700 Y CB -0.939 37.486 38.460 -0.059 0.000 1.118 700 Y HN -0.118 nan 8.280 nan 0.000 0.547 701 G N -1.007 107.757 108.800 -0.060 0.000 3.042 701 G HA2 0.065 4.027 3.960 0.004 0.000 0.212 701 G HA3 0.065 4.027 3.960 0.004 0.000 0.212 701 G C 1.786 176.483 174.900 -0.338 0.000 1.166 701 G CA 0.523 45.528 45.100 -0.158 0.000 0.767 701 G HN 0.453 nan 8.290 nan 0.000 0.546 702 G N 0.229 108.666 108.800 -0.604 0.000 2.559 702 G HA2 0.056 4.018 3.960 0.004 0.000 0.216 702 G HA3 0.056 4.018 3.960 0.004 0.000 0.216 702 G C 0.512 175.054 174.900 -0.597 0.000 1.126 702 G CA 0.151 44.638 45.100 -1.022 0.000 0.778 702 G HN 0.387 nan 8.290 nan 0.000 0.543 703 L N 0.779 121.721 121.223 -0.469 0.000 2.277 703 L HA 0.501 4.844 4.340 0.004 0.000 0.284 703 L C 1.200 177.777 176.870 -0.489 0.000 1.028 703 L CA -0.737 53.831 54.840 -0.454 0.000 0.835 703 L CB 1.254 43.024 42.059 -0.481 0.000 1.215 703 L HN -0.027 nan 8.230 nan 0.000 0.425 704 I N 4.292 124.590 120.570 -0.453 0.000 2.335 704 I HA -0.252 3.920 4.170 0.004 0.000 0.251 704 I C 1.779 177.643 176.117 -0.422 0.000 1.129 704 I CA 1.759 62.834 61.300 -0.375 0.000 1.402 704 I CB 0.051 37.880 38.000 -0.285 0.000 1.069 704 I HN 0.811 nan 8.210 nan 0.000 0.424 705 M N -0.308 118.903 119.600 -0.647 0.000 2.296 705 M HA -0.141 4.342 4.480 0.004 0.000 0.265 705 M C 1.955 177.788 176.300 -0.779 0.000 1.064 705 M CA 1.473 56.334 55.300 -0.732 0.000 1.109 705 M CB -0.762 30.956 32.600 -1.470 0.000 1.396 705 M HN 0.245 nan 8.290 nan 0.000 0.430 706 N N 0.341 118.549 118.700 -0.821 0.000 2.250 706 N HA -0.033 4.709 4.740 0.004 0.000 0.181 706 N C -0.015 175.407 175.510 -0.147 0.000 1.017 706 N CA 0.879 53.693 53.050 -0.394 0.000 0.866 706 N CB 0.428 38.735 38.487 -0.300 0.000 0.985 706 N HN -0.001 nan 8.380 nan 0.000 0.429 707 R N 0.618 121.003 120.500 -0.191 0.000 2.681 707 R HA 0.337 4.679 4.340 0.004 0.000 0.277 707 R C -2.670 173.544 176.300 -0.143 0.000 1.563 707 R CA -1.717 54.315 56.100 -0.113 0.000 1.673 707 R CB 0.892 31.139 30.300 -0.090 0.000 1.258 707 R HN 0.280 nan 8.270 nan 0.000 0.650 708 P HA 0.020 nan 4.420 nan 0.000 0.268 708 P C 0.791 177.975 177.300 -0.192 0.000 1.205 708 P CA 0.211 63.198 63.100 -0.188 0.000 0.771 708 P CB 0.899 32.476 31.700 -0.204 0.000 0.858 709 T N -0.690 113.682 114.554 -0.304 0.000 3.044 709 T HA 0.460 4.812 4.350 0.004 0.000 0.250 709 T C 0.575 175.086 174.700 -0.315 0.000 1.081 709 T CA 0.163 61.962 62.100 -0.503 0.000 1.040 709 T CB 0.058 68.265 68.868 -1.101 0.000 0.962 709 T HN 0.633 nan 8.240 nan 0.000 0.506 710 A N 0.909 123.605 122.820 -0.207 0.000 2.612 710 A HA 0.714 5.037 4.320 0.004 0.000 0.293 710 A C -0.776 176.743 177.584 -0.108 0.000 1.075 710 A CA -0.743 51.227 52.037 -0.112 0.000 0.680 710 A CB 1.261 20.193 19.000 -0.114 0.000 1.279 710 A HN 0.623 nan 8.150 nan 0.000 0.411 711 S N -0.004 115.668 115.700 -0.046 0.000 2.526 711 S HA 0.720 5.192 4.470 0.004 0.000 0.293 711 S C -0.059 174.546 174.600 0.008 0.000 1.092 711 S CA -0.852 57.324 58.200 -0.040 0.000 0.980 711 S CB 1.937 65.165 63.200 0.047 0.000 1.048 711 S HN 0.718 nan 8.310 nan 0.000 0.483 712 R N 0.408 120.909 120.500 0.001 0.000 2.446 712 R HA 0.283 4.625 4.340 0.004 0.000 0.254 712 R C 0.256 176.575 176.300 0.031 0.000 0.918 712 R CA -0.054 56.051 56.100 0.008 0.000 1.069 712 R CB 0.439 30.730 30.300 -0.015 0.000 1.194 712 R HN 0.828 nan 8.270 nan 0.000 0.534 713 R N -0.340 120.202 120.500 0.071 0.000 2.692 713 R HA 0.361 4.703 4.340 0.004 0.000 0.269 713 R C -1.096 175.295 176.300 0.152 0.000 1.030 713 R CA -0.844 55.303 56.100 0.078 0.000 0.882 713 R CB 0.956 31.300 30.300 0.073 0.000 1.250 713 R HN -0.160 nan 8.270 nan 0.000 0.465 714 L N 1.156 122.411 121.223 0.054 0.000 2.488 714 L HA 0.421 4.763 4.340 0.004 0.000 0.249 714 L C 0.511 177.509 176.870 0.215 0.000 1.151 714 L CA -1.251 53.589 54.840 -0.001 0.000 0.806 714 L CB 0.331 42.281 42.059 -0.181 0.000 1.261 714 L HN 0.412 nan 8.230 nan 0.000 0.484 715 L N 1.865 123.259 121.223 0.286 0.000 2.485 715 L HA 0.136 4.478 4.340 0.004 0.000 0.275 715 L C -1.800 175.197 176.870 0.212 0.000 1.207 715 L CA -1.396 53.611 54.840 0.278 0.000 0.855 715 L CB 0.056 42.266 42.059 0.250 0.000 1.114 715 L HN 0.409 nan 8.230 nan 0.000 0.485 716 P HA 0.148 nan 4.420 nan 0.000 0.277 716 P C -0.975 176.500 177.300 0.290 0.000 1.240 716 P CA -0.570 62.661 63.100 0.219 0.000 0.798 716 P CB 0.938 32.763 31.700 0.209 0.000 0.979 717 E N 1.422 121.750 120.200 0.214 0.000 2.301 717 E HA 0.170 4.523 4.350 0.004 0.000 0.275 717 E C 0.089 176.728 176.600 0.064 0.000 1.030 717 E CA -0.479 56.004 56.400 0.139 0.000 0.852 717 E CB 0.989 30.733 29.700 0.073 0.000 1.060 717 E HN 0.338 nan 8.360 nan 0.000 0.401 718 K N -0.023 120.259 120.400 -0.197 0.000 2.436 718 K HA 0.200 4.523 4.320 0.004 0.000 0.275 718 K C 0.896 177.319 176.600 -0.294 0.000 0.999 718 K CA 0.801 56.679 56.287 -0.681 0.000 0.980 718 K CB 0.290 32.416 32.500 -0.622 0.000 0.919 718 K HN 0.801 nan 8.250 nan 0.000 0.484 719 G N 1.199 109.846 108.800 -0.255 0.000 2.157 719 G HA2 -0.258 3.704 3.960 0.004 0.000 0.248 719 G HA3 -0.258 3.704 3.960 0.004 0.000 0.248 719 G C 0.127 175.025 174.900 -0.003 0.000 0.979 719 G CA 0.389 45.437 45.100 -0.087 0.000 0.650 719 G HN 0.738 nan 8.290 nan 0.000 0.529 720 T N -2.755 111.830 114.554 0.052 0.000 2.932 720 T HA 0.772 5.125 4.350 0.004 0.000 0.289 720 T C -0.962 173.809 174.700 0.119 0.000 1.039 720 T CA -1.051 61.100 62.100 0.085 0.000 1.024 720 T CB 3.109 72.037 68.868 0.100 0.000 1.090 720 T HN -0.072 nan 8.240 nan 0.000 0.496 721 P HA -0.047 nan 4.420 nan 0.000 0.220 721 P C 0.858 178.221 177.300 0.105 0.000 1.148 721 P CA 1.050 64.203 63.100 0.088 0.000 0.803 721 P CB 0.228 31.966 31.700 0.062 0.000 0.782 722 E N -0.782 119.486 120.200 0.113 0.000 2.110 722 E HA -0.181 4.172 4.350 0.004 0.000 0.193 722 E C 2.075 178.752 176.600 0.129 0.000 0.988 722 E CA 1.022 57.487 56.400 0.109 0.000 0.804 722 E CB -1.257 28.509 29.700 0.110 0.000 0.745 722 E HN 0.322 nan 8.360 nan 0.000 0.458 723 Y N 1.578 121.913 120.300 0.059 0.000 2.200 723 Y HA -0.161 4.391 4.550 0.004 0.000 0.290 723 Y C 1.832 177.765 175.900 0.056 0.000 1.137 723 Y CA 1.341 59.478 58.100 0.062 0.000 1.163 723 Y CB 0.251 38.744 38.460 0.055 0.000 0.988 723 Y HN -0.049 nan 8.280 nan 0.000 0.518 724 E N 0.351 120.697 120.200 0.243 0.000 2.153 724 E HA -0.249 4.103 4.350 0.004 0.000 0.194 724 E C 2.006 178.651 176.600 0.075 0.000 0.988 724 E CA 1.340 57.836 56.400 0.159 0.000 0.811 724 E CB -0.325 29.449 29.700 0.123 0.000 0.746 724 E HN 0.690 nan 8.360 nan 0.000 0.466 725 E N 0.317 120.552 120.200 0.058 0.000 2.106 725 E HA -0.128 4.225 4.350 0.004 0.000 0.192 725 E C 2.054 178.664 176.600 0.017 0.000 0.984 725 E CA 0.727 57.149 56.400 0.037 0.000 0.806 725 E CB 0.011 29.737 29.700 0.044 0.000 0.750 725 E HN 0.195 nan 8.360 nan 0.000 0.458 726 M N 0.225 119.806 119.600 -0.032 0.000 2.149 726 M HA -0.171 4.311 4.480 0.004 0.000 0.261 726 M C 2.191 178.475 176.300 -0.028 0.000 1.064 726 M CA 1.272 56.541 55.300 -0.051 0.000 1.102 726 M CB -0.192 32.291 32.600 -0.196 0.000 1.369 726 M HN 0.228 nan 8.290 nan 0.000 0.408 727 I N 0.033 120.580 120.570 -0.038 0.000 2.233 727 I HA -0.251 3.922 4.170 0.004 0.000 0.243 727 I C 1.944 178.077 176.117 0.027 0.000 1.093 727 I CA 1.013 62.313 61.300 -0.001 0.000 1.380 727 I CB -0.524 37.497 38.000 0.035 0.000 1.067 727 I HN 0.336 nan 8.210 nan 0.000 0.413 728 N N 0.451 119.172 118.700 0.036 0.000 2.376 728 N HA -0.056 4.687 4.740 0.004 0.000 0.177 728 N C 0.513 176.047 175.510 0.039 0.000 1.024 728 N CA 0.744 53.816 53.050 0.037 0.000 0.893 728 N CB -0.062 38.444 38.487 0.032 0.000 0.980 728 N HN 0.221 nan 8.380 nan 0.000 0.439 729 N N 0.608 119.331 118.700 0.038 0.000 2.716 729 N HA -0.006 4.737 4.740 0.004 0.000 0.245 729 N C 0.685 176.186 175.510 -0.015 0.000 1.495 729 N CA -0.184 52.866 53.050 -0.000 0.000 0.759 729 N CB 0.007 38.486 38.487 -0.013 0.000 1.261 729 N HN 0.225 nan 8.380 nan 0.000 0.515 730 H N 0.389 119.415 119.070 -0.074 0.000 2.421 730 H HA 0.038 4.596 4.556 0.004 0.000 0.298 730 H C 0.462 175.731 175.328 -0.099 0.000 1.087 730 H CA 1.178 57.187 56.048 -0.065 0.000 1.330 730 H CB 0.334 30.056 29.762 -0.067 0.000 1.388 730 H HN 0.447 nan 8.280 nan 0.000 0.526 731 E N 0.656 120.329 120.200 -0.878 0.000 2.106 731 E HA -0.135 4.218 4.350 0.004 0.000 0.192 731 E C 2.219 178.672 176.600 -0.245 0.000 0.984 731 E CA 0.982 56.839 56.400 -0.905 0.000 0.806 731 E CB 0.116 29.071 29.700 -1.242 0.000 0.750 731 E HN 0.242 nan 8.360 nan 0.000 0.458 732 K N 1.344 121.660 120.400 -0.140 0.000 2.097 732 K HA -0.058 4.264 4.320 0.004 0.000 0.205 732 K C 1.832 178.471 176.600 0.065 0.000 1.050 732 K CA 1.320 57.617 56.287 0.017 0.000 0.938 732 K CB -0.397 32.123 32.500 0.033 0.000 0.718 732 K HN 0.079 nan 8.250 nan 0.000 0.442 733 A N -0.376 122.477 122.820 0.056 0.000 1.908 733 A HA -0.189 4.133 4.320 0.004 0.000 0.218 733 A C 2.247 179.898 177.584 0.112 0.000 1.181 733 A CA 1.694 53.778 52.037 0.079 0.000 0.627 733 A CB -1.007 18.039 19.000 0.077 0.000 0.818 733 A HN 0.513 nan 8.150 nan 0.000 0.445 734 Y N 0.281 120.610 120.300 0.048 0.000 2.114 734 Y HA -0.135 4.417 4.550 0.004 0.000 0.284 734 Y C 2.044 177.994 175.900 0.083 0.000 1.143 734 Y CA 1.962 60.120 58.100 0.096 0.000 1.135 734 Y CB -0.237 38.383 38.460 0.267 0.000 0.980 734 Y HN 0.214 nan 8.280 nan 0.000 0.499 735 L N -0.302 121.100 121.223 0.298 0.000 2.131 735 L HA -0.191 4.152 4.340 0.004 0.000 0.210 735 L C 2.405 179.318 176.870 0.071 0.000 1.092 735 L CA 1.342 56.303 54.840 0.201 0.000 0.759 735 L CB -0.399 41.807 42.059 0.245 0.000 0.903 735 L HN 0.068 nan 8.230 nan 0.000 0.435 736 R N -0.418 120.113 120.500 0.052 0.000 2.236 736 R HA -0.055 4.287 4.340 0.004 0.000 0.208 736 R C 1.961 178.248 176.300 -0.022 0.000 1.036 736 R CA 1.266 57.379 56.100 0.022 0.000 1.001 736 R CB -0.490 29.836 30.300 0.042 0.000 0.896 736 R HN 0.177 nan 8.270 nan 0.000 0.464 737 T N 0.868 115.376 114.554 -0.078 0.000 2.939 737 T HA 0.165 4.517 4.350 0.004 0.000 0.254 737 T C 1.064 175.644 174.700 -0.201 0.000 1.041 737 T CA 0.917 62.931 62.100 -0.142 0.000 1.142 737 T CB -0.173 68.546 68.868 -0.248 0.000 0.874 737 T HN 0.347 nan 8.240 nan 0.000 0.452 738 I N 0.226 120.637 120.570 -0.264 0.000 3.244 738 I HA 0.364 4.537 4.170 0.004 0.000 0.314 738 I C -0.004 176.029 176.117 -0.141 0.000 1.043 738 I CA -1.056 60.094 61.300 -0.249 0.000 1.099 738 I CB -0.050 37.753 38.000 -0.328 0.000 1.449 738 I HN -0.160 nan 8.210 nan 0.000 0.625 739 T N 2.325 116.792 114.554 -0.146 0.000 2.777 739 T HA -0.065 4.287 4.350 0.004 0.000 0.273 739 T C 0.355 175.010 174.700 -0.075 0.000 1.016 739 T CA 0.253 62.278 62.100 -0.126 0.000 1.156 739 T CB -0.183 68.587 68.868 -0.164 0.000 1.019 739 T HN 0.666 nan 8.240 nan 0.000 0.503 740 S N 1.323 116.960 115.700 -0.104 0.000 2.589 740 S HA 0.103 4.576 4.470 0.004 0.000 0.265 740 S C 1.688 176.157 174.600 -0.220 0.000 1.342 740 S CA -0.646 57.472 58.200 -0.137 0.000 1.005 740 S CB 0.607 63.713 63.200 -0.156 0.000 0.909 740 S HN 0.838 nan 8.310 nan 0.000 0.555 741 K N 1.093 121.233 120.400 -0.434 0.000 2.044 741 K HA -0.172 4.151 4.320 0.004 0.000 0.210 741 K C 1.978 178.303 176.600 -0.458 0.000 1.049 741 K CA 1.827 57.660 56.287 -0.756 0.000 0.927 741 K CB -0.406 31.450 32.500 -1.074 0.000 0.713 741 K HN 0.558 nan 8.250 nan 0.000 0.443 742 L N 1.710 122.587 121.223 -0.577 0.000 1.970 742 L HA -0.087 4.255 4.340 0.004 0.000 0.212 742 L C -1.264 175.370 176.870 -0.393 0.000 1.071 742 L CA 1.793 56.156 54.840 -0.794 0.000 0.751 742 L CB -1.141 40.208 42.059 -1.182 0.000 0.889 742 L HN 0.165 nan 8.230 nan 0.000 0.432 743 P HA -0.106 nan 4.420 nan 0.000 0.220 743 P C 1.516 178.743 177.300 -0.122 0.000 1.148 743 P CA 1.558 64.560 63.100 -0.163 0.000 0.803 743 P CB -0.267 31.342 31.700 -0.151 0.000 0.782 744 T N 0.858 115.333 114.554 -0.132 0.000 2.708 744 T HA -0.095 4.258 4.350 0.004 0.000 0.266 744 T C 1.934 176.605 174.700 -0.047 0.000 1.037 744 T CA 1.136 63.194 62.100 -0.070 0.000 1.146 744 T CB -0.830 68.071 68.868 0.056 0.000 0.865 744 T HN 0.073 nan 8.240 nan 0.000 0.435 745 L N 0.180 121.352 121.223 -0.085 0.000 2.079 745 L HA -0.086 4.256 4.340 0.004 0.000 0.210 745 L C 2.406 179.396 176.870 0.200 0.000 1.081 745 L CA 1.262 56.086 54.840 -0.026 0.000 0.752 745 L CB -0.607 41.214 42.059 -0.397 0.000 0.896 745 L HN 0.295 nan 8.230 nan 0.000 0.433 746 I N -1.312 119.349 120.570 0.152 0.000 2.202 746 I HA -0.264 3.908 4.170 0.004 0.000 0.242 746 I C 2.817 179.060 176.117 0.209 0.000 1.091 746 I CA 1.219 62.674 61.300 0.259 0.000 1.368 746 I CB -0.322 37.778 38.000 0.168 0.000 1.058 746 I HN 0.150 nan 8.210 nan 0.000 0.410 747 S N 0.934 116.702 115.700 0.115 0.000 2.368 747 S HA -0.101 4.371 4.470 0.004 0.000 0.225 747 S C 2.082 176.776 174.600 0.157 0.000 1.030 747 S CA 1.232 59.496 58.200 0.106 0.000 0.999 747 S CB -0.289 62.898 63.200 -0.020 0.000 0.844 747 S HN 0.293 nan 8.310 nan 0.000 0.459 748 L N 0.851 122.164 121.223 0.149 0.000 2.083 748 L HA -0.086 4.256 4.340 0.004 0.000 0.209 748 L C 2.695 179.825 176.870 0.433 0.000 1.083 748 L CA 1.280 56.255 54.840 0.224 0.000 0.752 748 L CB -0.638 41.425 42.059 0.007 0.000 0.899 748 L HN 0.304 nan 8.230 nan 0.000 0.433 749 S N -0.500 115.489 115.700 0.481 0.000 2.368 749 S HA -0.146 4.327 4.470 0.004 0.000 0.225 749 S C 2.040 176.776 174.600 0.227 0.000 1.030 749 S CA 1.216 59.664 58.200 0.414 0.000 0.999 749 S CB -0.232 63.258 63.200 0.483 0.000 0.844 749 S HN 0.161 nan 8.310 nan 0.000 0.459 750 V N 3.261 123.304 119.914 0.216 0.000 2.295 750 V HA -0.181 3.941 4.120 0.004 0.000 0.246 750 V C 2.217 178.406 176.094 0.158 0.000 1.049 750 V CA 1.895 64.290 62.300 0.159 0.000 1.024 750 V CB -0.885 31.032 31.823 0.158 0.000 0.648 750 V HN 0.656 nan 8.190 nan 0.000 0.447 751 I N -1.485 119.209 120.570 0.207 0.000 2.614 751 I HA -0.151 4.022 4.170 0.004 0.000 0.258 751 I C 2.282 178.532 176.117 0.221 0.000 1.189 751 I CA 1.824 63.252 61.300 0.213 0.000 1.462 751 I CB -0.558 37.580 38.000 0.229 0.000 1.092 751 I HN 0.363 nan 8.210 nan 0.000 0.442 752 E N 1.982 122.303 120.200 0.201 0.000 2.072 752 E HA -0.183 4.170 4.350 0.004 0.000 0.191 752 E C 2.284 178.856 176.600 -0.047 0.000 0.985 752 E CA 1.488 57.846 56.400 -0.071 0.000 0.801 752 E CB -0.059 29.472 29.700 -0.281 0.000 0.750 752 E HN 0.646 nan 8.360 nan 0.000 0.452 753 I N 1.021 121.590 120.570 -0.002 0.000 2.179 753 I HA -0.308 3.864 4.170 0.004 0.000 0.242 753 I C 2.341 178.482 176.117 0.040 0.000 1.088 753 I CA 1.021 62.324 61.300 0.004 0.000 1.357 753 I CB -0.238 37.774 38.000 0.020 0.000 1.051 753 I HN 0.192 nan 8.210 nan 0.000 0.409 754 L N -0.218 121.040 121.223 0.058 0.000 2.275 754 L HA -0.114 4.228 4.340 0.004 0.000 0.215 754 L C 2.059 178.910 176.870 -0.031 0.000 1.119 754 L CA 0.804 55.669 54.840 0.042 0.000 0.790 754 L CB -0.512 41.580 42.059 0.054 0.000 0.919 754 L HN 0.157 nan 8.230 nan 0.000 0.443 755 S N -1.509 114.208 115.700 0.028 0.000 2.575 755 S HA 0.048 4.521 4.470 0.004 0.000 0.215 755 S C 0.750 175.457 174.600 0.178 0.000 0.966 755 S CA 0.019 58.268 58.200 0.083 0.000 0.911 755 S CB 0.060 63.351 63.200 0.152 0.000 0.780 755 S HN 0.290 nan 8.310 nan 0.000 0.514 756 T N 2.743 117.372 114.554 0.126 0.000 2.837 756 T HA 0.262 4.614 4.350 0.004 0.000 0.285 756 T C -0.460 174.330 174.700 0.151 0.000 0.984 756 T CA -0.337 61.823 62.100 0.100 0.000 1.049 756 T CB 0.528 69.426 68.868 0.049 0.000 0.947 756 T HN 0.194 nan 8.240 nan 0.000 0.472 757 H N 1.652 120.825 119.070 0.172 0.000 2.604 757 H HA 0.489 5.047 4.556 0.004 0.000 0.306 757 H C 0.396 175.772 175.328 0.079 0.000 1.075 757 H CA -0.550 55.562 56.048 0.108 0.000 1.357 757 H CB 0.878 30.670 29.762 0.050 0.000 1.426 757 H HN 0.789 nan 8.280 nan 0.000 0.470 758 A N 2.437 125.370 122.820 0.188 0.000 2.425 758 A HA 0.084 4.406 4.320 0.004 0.000 0.242 758 A C 1.501 179.145 177.584 0.101 0.000 1.077 758 A CA 0.216 52.308 52.037 0.093 0.000 0.781 758 A CB 0.214 19.242 19.000 0.045 0.000 1.020 758 A HN 0.844 nan 8.150 nan 0.000 0.494 759 S N 0.221 115.967 115.700 0.077 0.000 2.474 759 S HA -0.119 4.354 4.470 0.004 0.000 0.235 759 S C 0.637 175.287 174.600 0.083 0.000 0.997 759 S CA 1.200 59.449 58.200 0.082 0.000 0.949 759 S CB -0.330 62.907 63.200 0.062 0.000 0.766 759 S HN 0.795 nan 8.310 nan 0.000 0.517 760 D N 0.398 120.849 120.400 0.084 0.000 2.395 760 D HA 0.233 4.876 4.640 0.004 0.000 0.226 760 D C 0.244 176.572 176.300 0.047 0.000 1.146 760 D CA -0.419 53.631 54.000 0.084 0.000 0.830 760 D CB -0.345 40.529 40.800 0.123 0.000 0.958 760 D HN 0.407 nan 8.370 nan 0.000 0.501 761 E N 0.128 120.325 120.200 -0.006 0.000 2.404 761 E HA 0.232 4.584 4.350 0.004 0.000 0.261 761 E C -0.879 175.592 176.600 -0.215 0.000 1.074 761 E CA -0.415 55.880 56.400 -0.175 0.000 0.917 761 E CB 1.067 30.509 29.700 -0.429 0.000 0.965 761 E HN -0.051 nan 8.360 nan 0.000 0.433 762 V N 5.130 124.886 119.914 -0.264 0.000 2.378 762 V HA 0.279 4.402 4.120 0.004 0.000 0.288 762 V C -0.809 175.140 176.094 -0.242 0.000 1.016 762 V CA -0.643 61.568 62.300 -0.149 0.000 0.840 762 V CB 0.259 32.031 31.823 -0.085 0.000 0.994 762 V HN 0.599 nan 8.190 nan 0.000 0.431 763 Y N 2.988 123.254 120.300 -0.056 0.000 2.392 763 Y HA 0.513 5.066 4.550 0.004 0.000 0.323 763 Y C 0.331 176.209 175.900 -0.037 0.000 1.291 763 Y CA -0.922 57.139 58.100 -0.064 0.000 1.345 763 Y CB 0.934 39.321 38.460 -0.122 0.000 1.320 763 Y HN 0.478 nan 8.280 nan 0.000 0.518 764 L N 1.970 123.292 121.223 0.165 0.000 2.559 764 L HA 0.254 4.596 4.340 0.004 0.000 0.274 764 L C 1.009 177.823 176.870 -0.094 0.000 1.205 764 L CA 1.563 56.472 54.840 0.115 0.000 0.907 764 L CB -0.343 41.796 42.059 0.133 0.000 1.153 764 L HN 0.880 nan 8.230 nan 0.000 0.490 765 G N 2.636 111.342 108.800 -0.156 0.000 2.176 765 G HA2 -0.201 3.761 3.960 0.004 0.000 0.232 765 G HA3 -0.201 3.761 3.960 0.004 0.000 0.232 765 G C 0.190 174.957 174.900 -0.220 0.000 0.986 765 G CA 0.233 45.007 45.100 -0.544 0.000 0.643 765 G HN 0.640 nan 8.290 nan 0.000 0.522 766 Q N -0.517 119.352 119.800 0.115 0.000 2.399 766 Q HA 0.812 5.154 4.340 0.004 0.000 0.276 766 Q C -0.180 175.914 176.000 0.156 0.000 1.098 766 Q CA -0.983 54.927 55.803 0.177 0.000 0.827 766 Q CB 1.941 30.731 28.738 0.086 0.000 1.386 766 Q HN 0.235 nan 8.270 nan 0.000 0.443 767 R N 0.692 121.220 120.500 0.047 0.000 2.808 767 R HA 0.140 4.482 4.340 0.004 0.000 0.272 767 R C -0.378 175.887 176.300 -0.059 0.000 0.995 767 R CA -0.468 55.530 56.100 -0.170 0.000 0.917 767 R CB 1.373 31.390 30.300 -0.473 0.000 1.217 767 R HN 0.806 nan 8.270 nan 0.000 0.471 768 D N -0.702 119.660 120.400 -0.065 0.000 2.347 768 D HA -0.068 4.575 4.640 0.004 0.000 0.215 768 D C 0.031 176.355 176.300 0.040 0.000 0.976 768 D CA 0.684 54.686 54.000 0.003 0.000 0.884 768 D CB 0.293 41.104 40.800 0.018 0.000 0.915 768 D HN 0.228 nan 8.370 nan 0.000 0.526 769 N N -0.402 118.333 118.700 0.057 0.000 2.406 769 N HA 0.125 4.868 4.740 0.004 0.000 0.283 769 N C -2.428 173.167 175.510 0.143 0.000 1.074 769 N CA -1.339 51.767 53.050 0.093 0.000 0.916 769 N CB 2.399 40.966 38.487 0.133 0.000 1.639 769 N HN -0.251 nan 8.380 nan 0.000 0.485 770 P HA 0.012 nan 4.420 nan 0.000 0.234 770 P C -0.099 177.054 177.300 -0.244 0.000 1.167 770 P CA 0.896 63.931 63.100 -0.107 0.000 0.763 770 P CB 0.187 31.707 31.700 -0.300 0.000 0.835 771 H N -1.023 118.099 119.070 0.086 0.000 2.475 771 H HA 0.092 4.651 4.556 0.004 0.000 0.276 771 H C 1.498 176.786 175.328 -0.066 0.000 1.126 771 H CA -0.510 55.505 56.048 -0.055 0.000 1.023 771 H CB -0.579 29.157 29.762 -0.044 0.000 1.669 771 H HN 0.379 nan 8.280 nan 0.000 0.573 772 W N 0.953 122.271 121.300 0.029 0.000 2.387 772 W HA -0.029 4.634 4.660 0.004 0.000 0.272 772 W C -0.255 176.268 176.519 0.006 0.000 1.224 772 W CA 0.837 58.185 57.345 0.006 0.000 1.210 772 W CB -0.521 28.911 29.460 -0.047 0.000 1.125 772 W HN 0.073 nan 8.180 nan 0.000 0.572 773 T N -0.229 113.991 114.554 -0.557 0.000 2.889 773 T HA 0.277 4.629 4.350 0.004 0.000 0.315 773 T C 0.818 175.281 174.700 -0.395 0.000 1.291 773 T CA 0.158 61.968 62.100 -0.483 0.000 1.028 773 T CB 1.502 69.971 68.868 -0.664 0.000 1.235 773 T HN -0.032 nan 8.240 nan 0.000 0.491 774 S N 1.347 116.897 115.700 -0.250 0.000 2.501 774 S HA 0.149 4.622 4.470 0.004 0.000 0.220 774 S C 0.204 174.735 174.600 -0.116 0.000 0.997 774 S CA -0.029 58.080 58.200 -0.151 0.000 0.919 774 S CB -0.162 63.008 63.200 -0.050 0.000 0.778 774 S HN 0.709 nan 8.310 nan 0.000 0.523 775 D N 3.524 123.843 120.400 -0.134 0.000 2.368 775 D HA 0.168 4.810 4.640 0.004 0.000 0.268 775 D C 1.302 177.550 176.300 -0.087 0.000 1.298 775 D CA 0.344 54.290 54.000 -0.089 0.000 0.938 775 D CB 1.205 41.983 40.800 -0.038 0.000 1.101 775 D HN 0.443 nan 8.370 nan 0.000 0.509 776 S N 2.896 118.563 115.700 -0.055 0.000 2.400 776 S HA -0.228 4.244 4.470 0.004 0.000 0.232 776 S C 1.499 176.108 174.600 0.014 0.000 1.025 776 S CA 0.800 58.987 58.200 -0.023 0.000 0.993 776 S CB 0.006 63.197 63.200 -0.014 0.000 0.808 776 S HN 0.377 nan 8.310 nan 0.000 0.478 777 K N 1.584 121.984 120.400 -0.001 0.000 2.057 777 K HA 0.118 4.441 4.320 0.004 0.000 0.206 777 K C 2.592 179.266 176.600 0.124 0.000 1.050 777 K CA 1.137 57.441 56.287 0.027 0.000 0.935 777 K CB -0.520 31.951 32.500 -0.048 0.000 0.715 777 K HN 0.493 nan 8.250 nan 0.000 0.439 778 A N 1.445 124.347 122.820 0.137 0.000 1.898 778 A HA -0.105 4.217 4.320 0.004 0.000 0.216 778 A C 2.112 179.981 177.584 0.474 0.000 1.181 778 A CA 1.157 53.420 52.037 0.377 0.000 0.620 778 A CB -0.596 18.623 19.000 0.365 0.000 0.819 778 A HN 0.143 nan 8.150 nan 0.000 0.442 779 L N -0.952 120.396 121.223 0.207 0.000 2.083 779 L HA -0.244 4.098 4.340 0.004 0.000 0.209 779 L C 2.857 179.913 176.870 0.309 0.000 1.083 779 L CA 1.469 56.456 54.840 0.244 0.000 0.752 779 L CB -0.540 41.545 42.059 0.042 0.000 0.899 779 L HN 0.487 nan 8.230 nan 0.000 0.433 780 Q N -0.338 119.599 119.800 0.227 0.000 2.079 780 Q HA -0.149 4.193 4.340 0.004 0.000 0.200 780 Q C 2.479 178.627 176.000 0.247 0.000 0.974 780 Q CA 1.522 57.438 55.803 0.187 0.000 0.840 780 Q CB -0.243 28.570 28.738 0.126 0.000 0.898 780 Q HN 0.545 nan 8.270 nan 0.000 0.430 781 A N 0.367 123.402 122.820 0.359 0.000 1.933 781 A HA -0.193 4.130 4.320 0.004 0.000 0.218 781 A C 1.835 179.693 177.584 0.457 0.000 1.175 781 A CA 1.085 53.399 52.037 0.462 0.000 0.628 781 A CB -0.699 18.688 19.000 0.644 0.000 0.814 781 A HN 0.450 nan 8.150 nan 0.000 0.444 782 F N 0.300 120.416 119.950 0.277 0.000 2.234 782 F HA -0.121 4.408 4.527 0.004 0.000 0.299 782 F C 2.438 178.221 175.800 -0.028 0.000 1.087 782 F CA 1.766 59.680 58.000 -0.144 0.000 1.340 782 F CB -0.139 38.890 39.000 0.048 0.000 1.031 782 F HN 0.198 nan 8.300 nan 0.000 0.500 783 Q N 0.686 120.510 119.800 0.041 0.000 2.079 783 Q HA -0.185 4.158 4.340 0.004 0.000 0.200 783 Q C 2.239 178.172 176.000 -0.112 0.000 0.974 783 Q CA 1.493 57.253 55.803 -0.072 0.000 0.840 783 Q CB -0.254 28.511 28.738 0.044 0.000 0.898 783 Q HN 0.463 nan 8.270 nan 0.000 0.430 784 K N -0.337 120.062 120.400 -0.002 0.000 2.097 784 K HA -0.137 4.185 4.320 0.004 0.000 0.206 784 K C 1.978 178.580 176.600 0.002 0.000 1.049 784 K CA 0.982 57.282 56.287 0.021 0.000 0.933 784 K CB -0.283 32.278 32.500 0.102 0.000 0.717 784 K HN 0.089 nan 8.250 nan 0.000 0.442 785 F N 1.615 121.430 119.950 -0.226 0.000 2.102 785 F HA -0.106 4.423 4.527 0.003 0.000 0.298 785 F C 2.074 177.648 175.800 -0.377 0.000 1.105 785 F CA 1.736 59.548 58.000 -0.313 0.000 1.239 785 F CB -0.970 37.672 39.000 -0.596 0.000 0.991 785 F HN -0.014 nan 8.300 nan 0.000 0.474 786 G N 0.339 108.715 108.800 -0.705 0.000 2.418 786 G HA2 -0.304 3.658 3.960 0.004 0.000 0.217 786 G HA3 -0.304 3.658 3.960 0.004 0.000 0.217 786 G C 1.594 176.249 174.900 -0.408 0.000 1.158 786 G CA 0.892 45.574 45.100 -0.696 0.000 0.771 786 G HN 0.368 nan 8.290 nan 0.000 0.545 787 N N 0.641 119.181 118.700 -0.267 0.000 2.166 787 N HA -0.079 4.664 4.740 0.004 0.000 0.186 787 N C 2.052 177.474 175.510 -0.147 0.000 1.019 787 N CA 1.252 54.201 53.050 -0.169 0.000 0.856 787 N CB -0.222 38.204 38.487 -0.103 0.000 0.993 787 N HN 0.259 nan 8.380 nan 0.000 0.426 788 K N 1.458 121.778 120.400 -0.133 0.000 2.057 788 K HA 0.049 4.371 4.320 0.004 0.000 0.207 788 K C 1.971 178.496 176.600 -0.124 0.000 1.049 788 K CA 0.790 57.030 56.287 -0.078 0.000 0.931 788 K CB -0.394 32.112 32.500 0.010 0.000 0.714 788 K HN 0.115 nan 8.250 nan 0.000 0.440 789 L N 0.334 121.412 121.223 -0.242 0.000 2.083 789 L HA -0.162 4.180 4.340 0.004 0.000 0.209 789 L C 2.231 178.983 176.870 -0.197 0.000 1.083 789 L CA 1.417 56.111 54.840 -0.245 0.000 0.752 789 L CB -0.313 41.500 42.059 -0.409 0.000 0.899 789 L HN 0.159 nan 8.230 nan 0.000 0.433 790 K N -0.142 120.138 120.400 -0.201 0.000 2.097 790 K HA -0.216 4.106 4.320 0.004 0.000 0.205 790 K C 2.028 178.544 176.600 -0.140 0.000 1.050 790 K CA 1.293 57.477 56.287 -0.171 0.000 0.938 790 K CB -0.071 32.335 32.500 -0.158 0.000 0.718 790 K HN 0.291 nan 8.250 nan 0.000 0.442 791 E N 1.224 121.356 120.200 -0.114 0.000 2.072 791 E HA -0.174 4.178 4.350 0.004 0.000 0.191 791 E C 1.924 178.476 176.600 -0.079 0.000 0.985 791 E CA 0.940 57.291 56.400 -0.082 0.000 0.801 791 E CB 0.026 29.692 29.700 -0.057 0.000 0.750 791 E HN 0.235 nan 8.360 nan 0.000 0.452 792 I N 0.928 121.452 120.570 -0.078 0.000 2.252 792 I HA -0.236 3.936 4.170 0.004 0.000 0.245 792 I C 2.607 178.654 176.117 -0.117 0.000 1.102 792 I CA 1.261 62.525 61.300 -0.060 0.000 1.385 792 I CB -0.259 37.724 38.000 -0.028 0.000 1.064 792 I HN 0.239 nan 8.210 nan 0.000 0.414 793 E N 1.090 121.181 120.200 -0.182 0.000 2.118 793 E HA -0.263 4.089 4.350 0.004 0.000 0.195 793 E C 1.993 178.393 176.600 -0.333 0.000 0.992 793 E CA 1.381 57.583 56.400 -0.331 0.000 0.804 793 E CB 0.072 29.564 29.700 -0.347 0.000 0.741 793 E HN 0.487 nan 8.360 nan 0.000 0.458 794 E N 0.338 120.415 120.200 -0.204 0.000 2.110 794 E HA -0.221 4.132 4.350 0.004 0.000 0.193 794 E C 2.072 178.605 176.600 -0.112 0.000 0.988 794 E CA 0.949 57.260 56.400 -0.149 0.000 0.804 794 E CB -0.061 29.580 29.700 -0.099 0.000 0.745 794 E HN 0.143 nan 8.360 nan 0.000 0.458 795 K N 1.061 121.407 120.400 -0.090 0.000 2.057 795 K HA -0.105 4.218 4.320 0.004 0.000 0.206 795 K C 2.147 178.730 176.600 -0.029 0.000 1.050 795 K CA 0.762 57.024 56.287 -0.042 0.000 0.935 795 K CB 0.021 32.511 32.500 -0.017 0.000 0.715 795 K HN 0.077 nan 8.250 nan 0.000 0.439 796 L N 0.663 121.846 121.223 -0.067 0.000 2.131 796 L HA -0.151 4.192 4.340 0.004 0.000 0.210 796 L C 2.345 179.243 176.870 0.047 0.000 1.092 796 L CA 0.642 55.489 54.840 0.012 0.000 0.759 796 L CB -0.385 41.682 42.059 0.013 0.000 0.903 796 L HN 0.032 nan 8.230 nan 0.000 0.435 797 V N -0.040 119.806 119.914 -0.114 0.000 2.343 797 V HA -0.250 3.873 4.120 0.004 0.000 0.247 797 V C 2.656 178.784 176.094 0.057 0.000 1.051 797 V CA 1.646 63.950 62.300 0.006 0.000 1.036 797 V CB -0.577 31.194 31.823 -0.086 0.000 0.654 797 V HN 0.420 nan 8.190 nan 0.000 0.451 798 R N -0.325 120.186 120.500 0.019 0.000 2.096 798 R HA -0.123 4.219 4.340 0.004 0.000 0.235 798 R C 2.539 178.873 176.300 0.057 0.000 1.127 798 R CA 1.376 57.495 56.100 0.032 0.000 0.968 798 R CB -0.341 29.967 30.300 0.014 0.000 0.861 798 R HN 0.485 nan 8.270 nan 0.000 0.440 799 R N 0.353 120.897 120.500 0.073 0.000 2.073 799 R HA -0.068 4.274 4.340 0.004 0.000 0.234 799 R C 1.918 178.286 176.300 0.114 0.000 1.134 799 R CA 1.299 57.454 56.100 0.091 0.000 0.952 799 R CB -0.272 30.093 30.300 0.110 0.000 0.850 799 R HN 0.227 nan 8.270 nan 0.000 0.433 800 N N 0.567 119.359 118.700 0.153 0.000 2.309 800 N HA -0.091 4.651 4.740 0.004 0.000 0.182 800 N C 0.911 176.492 175.510 0.118 0.000 1.018 800 N CA 0.904 54.050 53.050 0.160 0.000 0.876 800 N CB -0.164 38.452 38.487 0.216 0.000 0.972 800 N HN 0.249 nan 8.380 nan 0.000 0.434 801 N N 0.727 119.486 118.700 0.097 0.000 2.336 801 N HA -0.062 4.680 4.740 0.004 0.000 0.189 801 N C -0.280 175.265 175.510 0.058 0.000 1.113 801 N CA 0.161 53.255 53.050 0.073 0.000 0.858 801 N CB 0.150 38.674 38.487 0.061 0.000 0.970 801 N HN 0.176 nan 8.380 nan 0.000 0.471 802 D N 1.599 122.035 120.400 0.060 0.000 2.338 802 D HA 0.116 4.759 4.640 0.004 0.000 0.255 802 D C -1.646 174.682 176.300 0.047 0.000 1.237 802 D CA -2.015 52.014 54.000 0.048 0.000 0.883 802 D CB 1.600 42.428 40.800 0.047 0.000 1.087 802 D HN 0.002 nan 8.370 nan 0.000 0.485 803 P HA -0.090 nan 4.420 nan 0.000 0.219 803 P C 1.099 178.420 177.300 0.035 0.000 1.146 803 P CA 0.780 63.902 63.100 0.037 0.000 0.808 803 P CB 0.319 32.038 31.700 0.031 0.000 0.779 804 S N -1.010 114.709 115.700 0.032 0.000 2.474 804 S HA 0.022 4.494 4.470 0.004 0.000 0.235 804 S C 1.336 175.954 174.600 0.030 0.000 0.997 804 S CA 0.808 59.025 58.200 0.028 0.000 0.949 804 S CB -0.637 62.578 63.200 0.025 0.000 0.766 804 S HN 0.190 nan 8.310 nan 0.000 0.517 805 L N 0.950 122.196 121.223 0.038 0.000 2.769 805 L HA 0.244 4.586 4.340 0.004 0.000 0.240 805 L C 2.164 179.064 176.870 0.050 0.000 1.163 805 L CA -0.059 54.806 54.840 0.042 0.000 0.962 805 L CB -0.164 41.926 42.059 0.052 0.000 1.258 805 L HN 0.157 nan 8.230 nan 0.000 0.513 806 Q N 1.529 121.358 119.800 0.049 0.000 2.135 806 Q HA -0.161 4.182 4.340 0.004 0.000 0.204 806 Q C 1.965 177.997 176.000 0.053 0.000 0.981 806 Q CA 2.041 57.877 55.803 0.056 0.000 0.856 806 Q CB -0.066 28.701 28.738 0.049 0.000 0.902 806 Q HN 0.520 nan 8.270 nan 0.000 0.425 807 G N 0.771 109.593 108.800 0.038 0.000 2.440 807 G HA2 -0.265 3.698 3.960 0.004 0.000 0.218 807 G HA3 -0.265 3.698 3.960 0.004 0.000 0.218 807 G C 1.326 176.242 174.900 0.027 0.000 1.154 807 G CA 0.967 46.086 45.100 0.030 0.000 0.767 807 G HN 0.368 nan 8.290 nan 0.000 0.552 808 N N -0.318 118.393 118.700 0.019 0.000 2.432 808 N HA 0.082 4.825 4.740 0.004 0.000 0.174 808 N C 2.213 177.746 175.510 0.037 0.000 1.037 808 N CA 0.147 53.199 53.050 0.004 0.000 0.892 808 N CB -0.055 38.412 38.487 -0.033 0.000 1.049 808 N HN 0.273 nan 8.380 nan 0.000 0.442 809 R N -0.249 120.293 120.500 0.071 0.000 2.200 809 R HA 0.180 4.523 4.340 0.004 0.000 0.208 809 R C 0.820 177.228 176.300 0.181 0.000 1.033 809 R CA 0.688 56.867 56.100 0.131 0.000 1.000 809 R CB 0.258 30.642 30.300 0.139 0.000 0.906 809 R HN 0.087 nan 8.270 nan 0.000 0.462 810 L N -1.672 119.634 121.223 0.138 0.000 2.663 810 L HA 0.316 4.658 4.340 0.004 0.000 0.218 810 L C 0.930 177.875 176.870 0.125 0.000 1.043 810 L CA 0.905 55.828 54.840 0.138 0.000 0.876 810 L CB 0.126 42.248 42.059 0.105 0.000 1.263 810 L HN 0.286 nan 8.230 nan 0.000 0.486 811 G N 0.580 109.438 108.800 0.097 0.000 2.804 811 G HA2 -0.223 3.740 3.960 0.004 0.000 0.230 811 G HA3 -0.223 3.740 3.960 0.004 0.000 0.230 811 G C -1.960 172.986 174.900 0.076 0.000 1.386 811 G CA -0.112 45.041 45.100 0.087 0.000 0.875 811 G HN 0.126 nan 8.290 nan 0.000 0.557 812 P HA -0.030 nan 4.420 nan 0.000 0.226 812 P C 1.863 179.198 177.300 0.059 0.000 1.153 812 P CA 2.027 65.159 63.100 0.055 0.000 0.777 812 P CB -0.243 31.484 31.700 0.044 0.000 0.794 813 V N -4.280 115.683 119.914 0.081 0.000 3.380 813 V HA 0.020 4.143 4.120 0.004 0.000 0.268 813 V C 0.743 176.867 176.094 0.050 0.000 1.168 813 V CA 0.341 62.685 62.300 0.074 0.000 1.156 813 V CB -1.396 30.490 31.823 0.105 0.000 0.785 813 V HN -0.006 nan 8.190 nan 0.000 0.487 814 Q N -0.168 119.668 119.800 0.060 0.000 2.439 814 Q HA -0.206 4.136 4.340 0.004 0.000 0.325 814 Q C -0.418 175.611 176.000 0.049 0.000 1.372 814 Q CA 0.911 56.747 55.803 0.055 0.000 0.909 814 Q CB -1.540 27.221 28.738 0.039 0.000 1.167 814 Q HN 0.689 nan 8.270 nan 0.000 0.418 815 L N 0.763 122.026 121.223 0.066 0.000 2.337 815 L HA 0.470 4.812 4.340 0.004 0.000 0.269 815 L C -2.395 174.566 176.870 0.151 0.000 1.018 815 L CA -1.812 53.052 54.840 0.040 0.000 0.876 815 L CB 1.334 43.342 42.059 -0.085 0.000 1.236 815 L HN -0.166 nan 8.230 nan 0.000 0.436 816 P HA -0.053 nan 4.420 nan 0.000 0.262 816 P C -1.352 176.104 177.300 0.259 0.000 1.182 816 P CA 0.284 63.493 63.100 0.181 0.000 0.761 816 P CB 0.025 31.796 31.700 0.118 0.000 0.795 817 Y N 3.593 123.982 120.300 0.148 0.000 2.674 817 Y HA 0.124 4.676 4.550 0.004 0.000 0.354 817 Y C 1.123 176.950 175.900 -0.123 0.000 1.089 817 Y CA 0.595 58.757 58.100 0.103 0.000 1.444 817 Y CB -0.200 38.338 38.460 0.131 0.000 1.187 817 Y HN 0.358 nan 8.280 nan 0.000 0.523 818 T N 1.567 115.691 114.554 -0.718 0.000 3.084 818 T HA 0.126 4.479 4.350 0.004 0.000 0.270 818 T C 1.423 175.553 174.700 -0.950 0.000 1.008 818 T CA -0.102 61.369 62.100 -1.048 0.000 0.900 818 T CB -0.262 67.958 68.868 -1.080 0.000 1.084 818 T HN 0.645 nan 8.240 nan 0.000 0.538 819 L N 0.251 120.736 121.223 -1.231 0.000 2.265 819 L HA 0.185 4.527 4.340 0.004 0.000 0.215 819 L C 1.746 178.411 176.870 -0.343 0.000 1.117 819 L CA 1.150 55.487 54.840 -0.837 0.000 0.782 819 L CB -0.241 41.299 42.059 -0.865 0.000 0.914 819 L HN 0.354 nan 8.230 nan 0.000 0.441 820 L N -1.549 119.541 121.223 -0.222 0.000 2.769 820 L HA 0.133 4.475 4.340 0.004 0.000 0.240 820 L C -0.214 176.750 176.870 0.157 0.000 1.163 820 L CA -0.556 54.317 54.840 0.055 0.000 0.962 820 L CB 0.077 42.247 42.059 0.184 0.000 1.258 820 L HN 0.018 nan 8.230 nan 0.000 0.513 821 Y N 1.160 121.394 120.300 -0.111 0.000 2.526 821 Y HA 0.075 4.627 4.550 0.003 0.000 0.330 821 Y C -1.243 174.593 175.900 -0.106 0.000 1.156 821 Y CA -2.573 55.469 58.100 -0.097 0.000 1.419 821 Y CB 0.212 38.600 38.460 -0.120 0.000 1.250 821 Y HN -0.041 nan 8.280 nan 0.000 0.540 822 P HA -0.110 nan 4.420 nan 0.000 0.217 822 P C -0.015 177.197 177.300 -0.147 0.000 1.150 822 P CA 1.427 64.498 63.100 -0.050 0.000 0.832 822 P CB 0.249 31.884 31.700 -0.109 0.000 0.787 823 S N -2.121 113.450 115.700 -0.215 0.000 2.690 823 S HA 0.687 5.159 4.470 0.004 0.000 0.291 823 S C -0.183 174.151 174.600 -0.443 0.000 1.138 823 S CA -0.488 57.455 58.200 -0.429 0.000 1.013 823 S CB 1.605 64.609 63.200 -0.326 0.000 1.053 823 S HN -0.001 nan 8.310 nan 0.000 0.539 824 S N 0.042 115.317 115.700 -0.709 0.000 2.565 824 S HA 0.392 4.865 4.470 0.004 0.000 0.274 824 S C -1.555 172.809 174.600 -0.394 0.000 1.144 824 S CA -0.690 57.233 58.200 -0.462 0.000 0.849 824 S CB 1.218 64.164 63.200 -0.424 0.000 1.103 824 S HN 0.762 nan 8.310 nan 0.000 0.455 825 E N 1.782 121.889 120.200 -0.154 0.000 2.602 825 E HA 0.279 4.631 4.350 0.004 0.000 0.255 825 E C 0.119 176.734 176.600 0.025 0.000 1.268 825 E CA -0.552 55.812 56.400 -0.060 0.000 1.007 825 E CB 0.289 29.979 29.700 -0.017 0.000 1.208 825 E HN 0.776 nan 8.360 nan 0.000 0.584 826 E N 0.258 120.499 120.200 0.068 0.000 2.392 826 E HA 0.362 4.715 4.350 0.004 0.000 0.256 826 E C 0.545 177.222 176.600 0.129 0.000 1.145 826 E CA -0.065 56.410 56.400 0.124 0.000 0.929 826 E CB 0.639 30.395 29.700 0.092 0.000 0.998 826 E HN 0.577 nan 8.360 nan 0.000 0.442 827 G N 0.472 109.364 108.800 0.154 0.000 2.466 827 G HA2 -0.164 3.798 3.960 0.004 0.000 0.316 827 G HA3 -0.164 3.798 3.960 0.004 0.000 0.316 827 G C -1.050 173.926 174.900 0.125 0.000 1.270 827 G CA -0.334 44.833 45.100 0.111 0.000 0.982 827 G HN 0.625 nan 8.290 nan 0.000 0.506 828 L N 2.107 123.390 121.223 0.099 0.000 2.389 828 L HA 0.479 4.822 4.340 0.004 0.000 0.265 828 L C 1.970 178.969 176.870 0.214 0.000 1.167 828 L CA 0.474 55.392 54.840 0.129 0.000 1.045 828 L CB 0.168 42.272 42.059 0.076 0.000 1.351 828 L HN 0.971 nan 8.230 nan 0.000 0.419 829 T N -0.560 114.113 114.554 0.199 0.000 3.022 829 T HA 0.018 4.370 4.350 0.004 0.000 0.250 829 T C 0.902 175.707 174.700 0.175 0.000 1.060 829 T CA -0.182 62.042 62.100 0.206 0.000 1.013 829 T CB -0.089 68.880 68.868 0.169 0.000 0.982 829 T HN 0.421 nan 8.240 nan 0.000 0.508 830 F N 2.449 122.330 119.950 -0.114 0.000 3.057 830 F HA -0.248 4.281 4.527 0.003 0.000 0.287 830 F C 0.162 175.837 175.800 -0.209 0.000 0.834 830 F CA 0.874 58.718 58.000 -0.260 0.000 1.147 830 F CB -1.354 37.252 39.000 -0.656 0.000 1.245 830 F HN 0.730 nan 8.300 nan 0.000 0.509 831 R N -0.324 120.102 120.500 -0.123 0.000 2.733 831 R HA 0.723 5.066 4.340 0.004 0.000 0.272 831 R C 0.060 176.335 176.300 -0.042 0.000 1.029 831 R CA -0.838 55.147 56.100 -0.191 0.000 0.888 831 R CB 1.275 31.450 30.300 -0.208 0.000 1.251 831 R HN 1.315 nan 8.270 nan 0.000 0.464 832 G N 0.819 109.571 108.800 -0.080 0.000 3.055 832 G HA2 0.002 3.965 3.960 0.004 0.000 0.686 832 G HA3 0.002 3.965 3.960 0.004 0.000 0.686 832 G C -0.881 174.043 174.900 0.040 0.000 1.087 832 G CA -0.582 44.450 45.100 -0.112 0.000 0.779 832 G HN 0.543 nan 8.290 nan 0.000 0.599 833 I N 4.137 124.795 120.570 0.147 0.000 2.359 833 I HA 0.275 4.448 4.170 0.004 0.000 0.284 833 I C -2.068 174.197 176.117 0.247 0.000 1.018 833 I CA -2.201 59.215 61.300 0.192 0.000 1.173 833 I CB 2.054 40.139 38.000 0.143 0.000 1.326 833 I HN 0.190 nan 8.210 nan 0.000 0.462 834 P HA 0.167 nan 4.420 nan 0.000 0.274 834 P C 0.298 177.659 177.300 0.102 0.000 1.246 834 P CA -0.335 62.746 63.100 -0.032 0.000 0.795 834 P CB 0.713 32.431 31.700 0.030 0.000 1.006 835 N N -0.840 117.886 118.700 0.043 0.000 2.309 835 N HA -0.050 4.692 4.740 0.004 0.000 0.182 835 N C 0.656 176.296 175.510 0.217 0.000 1.018 835 N CA 1.026 54.154 53.050 0.129 0.000 0.876 835 N CB -0.116 38.293 38.487 -0.130 0.000 0.972 835 N HN 0.522 nan 8.380 nan 0.000 0.434 836 S N -1.154 114.617 115.700 0.118 0.000 2.732 836 S HA 0.530 5.003 4.470 0.004 0.000 0.293 836 S C -0.359 174.249 174.600 0.015 0.000 1.159 836 S CA -0.852 57.410 58.200 0.103 0.000 0.847 836 S CB 1.244 64.489 63.200 0.076 0.000 1.169 836 S HN -0.011 nan 8.310 nan 0.000 0.501 837 I N 2.954 123.431 120.570 -0.155 0.000 2.243 837 I HA 0.181 4.354 4.170 0.004 0.000 0.297 837 I C 1.038 177.002 176.117 -0.255 0.000 1.161 837 I CA -0.188 60.754 61.300 -0.596 0.000 1.298 837 I CB 0.530 38.075 38.000 -0.758 0.000 1.475 837 I HN 0.821 nan 8.210 nan 0.000 0.561 838 S N 4.987 120.658 115.700 -0.048 0.000 2.539 838 S HA 0.348 4.820 4.470 0.004 0.000 0.221 838 S C 0.147 174.855 174.600 0.181 0.000 0.987 838 S CA -0.226 58.033 58.200 0.097 0.000 0.929 838 S CB 0.321 63.600 63.200 0.132 0.000 0.832 838 S HN 0.460 nan 8.310 nan 0.000 0.492 839 I N 0.000 120.714 120.570 0.241 0.000 2.984 839 I HA 0.000 4.172 4.170 0.004 0.000 0.288 839 I CA 0.000 61.473 61.300 0.288 0.000 1.566 839 I CB 0.000 38.153 38.000 0.256 0.000 1.214 839 I HN 0.000 nan 8.210 nan 0.000 0.494