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 1oyd_1_A DATA FIRST_RESID 7 DATA SEQUENCE DRPIFAWVIA IIIMLAGGLA ILKLPVAQYP TIAPPAVTIS ASYPGADAKT DATA SEQUENCE VQDTVTQVIE QNMNGIDNLM YMSSNSDSTG TVQITLTFES GTDADIAQVQ DATA SEQUENCE VQNKLQLAMP LLPQEVQQQG VSVEKSSSSF LMVVGVINTD GTMTQEDISD DATA SEQUENCE YVAANMKDAI SRTSGVGDVQ LFGSQYAMRI WMNPNELNKF QLTPVDVITA DATA SEQUENCE IKAQNAQVAA GQLGGTPPVK GQQLNASIIA QTRLTSTEEF GKILLKVNQD DATA SEQUENCE GSRVLLRDVA KIELGGENYD IIAEFNGQPA SGLGIKLATG ANALDTAAAI DATA SEQUENCE RAELAKMEPF FPSGLKIVYP YDTTPFVKIS IHEVVKTLVE AIILVFLVMY DATA SEQUENCE LFLQNFRATL IPTIAVPVVL LGTFAVLAAF GFSINTLTMF GMVLAIGLLV DATA SEQUENCE DDAIVVVENV ERVMAEEGLP PKEATRKSMG QIQGALVGIA MVLSAVFVPM DATA SEQUENCE AFFGGSTGAI YRQFSITIVS AMALSVLVAL ILTPALCATM LKXXXXXXXX DATA SEQUENCE XXXXXXFGWF NRMFEKSTHH YTDSVGGILR STGRYLVLYL IIVVGMAYLF DATA SEQUENCE VRLPSSFLPD EDQGVFMTMV QLPAGATQER TQKVLNEVTH YYLTKEKNNV DATA SEQUENCE ESVFAVNGFG FAGRGQNTGI AFVSLKDWAD RPGEENKVEA ITMRATRAFS DATA SEQUENCE QIKDAMVFAF NLPAIVELGT ATGFDFELID QAGLGHEKLT QARNQLLAEA DATA SEQUENCE AKHPXMLTSV RPNGLEDTPQ FKIDIDQEKA QALGVSINDI NTTLGAAWGG DATA SEQUENCE SYVNDFIDRG RVKKVYVMSE AKYRMLPDDI GDWYVRAADG QMVPFSAFSS DATA SEQUENCE SRWEYGSPRL ERYNGLPSME ILGQAAPGKS TGEAMELMEQ LASKLPTGVG DATA SEQUENCE YDWXXXXXXX XXSGNQAPSL YAISLIVVFL CLAALYESWS IPFSVMLVVP DATA SEQUENCE LGVIGALLAA TFRGLTNDVY FQVGLLTTIG LSAKNAILIV EFAKDLMDKE DATA SEQUENCE GKGLIEATLD AVRMRLRPIL MTSLAFILGV MPLVISTGAG SGAQNAVGTG DATA SEQUENCE VMGGMVTATV LAIFFVPVFF VVVRRRFSRK 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.292 176.300 -0.013 0.000 2.045 7 D CA 0.000 54.014 54.000 0.024 0.000 0.868 7 D CB 0.000 40.818 40.800 0.030 0.000 0.688 8 R N 2.917 123.403 120.500 -0.023 0.000 2.347 8 R HA 0.248 4.588 4.340 -0.000 0.000 0.304 8 R C -1.532 174.664 176.300 -0.173 0.000 1.072 8 R CA -0.925 55.087 56.100 -0.148 0.000 0.980 8 R CB 1.364 31.529 30.300 -0.224 0.000 0.986 8 R HN 0.137 nan 8.270 nan 0.000 0.448 9 P HA -0.162 nan 4.420 nan 0.000 0.199 9 P C 1.450 178.663 177.300 -0.145 0.000 1.169 9 P CA 0.744 63.727 63.100 -0.196 0.000 0.900 9 P CB -0.214 31.300 31.700 -0.311 0.000 0.733 10 I N -1.141 119.288 120.570 -0.234 0.000 2.600 10 I HA -0.352 3.818 4.170 -0.000 0.000 0.230 10 I C 2.349 178.559 176.117 0.155 0.000 0.913 10 I CA 2.139 63.393 61.300 -0.076 0.000 1.228 10 I CB -2.516 35.372 38.000 -0.185 0.000 0.943 10 I HN -0.018 nan 8.210 nan 0.000 0.391 11 F N 1.558 121.558 119.950 0.083 0.000 2.146 11 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 11 F C 2.913 178.773 175.800 0.100 0.000 1.096 11 F CA 0.974 59.020 58.000 0.077 0.000 1.275 11 F CB -0.560 38.469 39.000 0.049 0.000 1.008 11 F HN 0.260 nan 8.300 nan 0.000 0.480 12 A N -0.340 122.652 122.820 0.287 0.000 1.898 12 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 12 A C 1.805 179.542 177.584 0.255 0.000 1.181 12 A CA 1.209 53.384 52.037 0.230 0.000 0.620 12 A CB -1.206 17.919 19.000 0.209 0.000 0.819 12 A HN 0.523 nan 8.150 nan 0.000 0.442 13 W N -0.389 120.937 121.300 0.045 0.000 2.467 13 W HA -0.005 4.655 4.660 -0.000 0.000 0.275 13 W C 2.096 178.641 176.519 0.042 0.000 1.239 13 W CA 1.348 58.711 57.345 0.031 0.000 1.266 13 W CB -0.131 29.337 29.460 0.012 0.000 1.112 13 W HN 0.141 nan 8.180 nan 0.000 0.576 14 V N -0.313 119.760 119.914 0.265 0.000 2.992 14 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 14 V C 2.034 178.192 176.094 0.106 0.000 1.090 14 V CA 0.781 63.188 62.300 0.178 0.000 1.101 14 V CB -0.369 31.573 31.823 0.198 0.000 0.743 14 V HN 0.023 nan 8.190 nan 0.000 0.468 15 I N 0.966 121.600 120.570 0.107 0.000 2.286 15 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 15 I C 2.570 178.695 176.117 0.013 0.000 1.115 15 I CA 1.796 63.130 61.300 0.056 0.000 1.392 15 I CB -0.657 37.382 38.000 0.065 0.000 1.065 15 I HN 0.351 nan 8.210 nan 0.000 0.418 16 A N 0.335 123.148 122.820 -0.012 0.000 2.014 16 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 16 A C 2.061 179.596 177.584 -0.082 0.000 1.163 16 A CA 1.019 53.005 52.037 -0.086 0.000 0.652 16 A CB -0.428 18.450 19.000 -0.205 0.000 0.808 16 A HN 0.304 nan 8.150 nan 0.000 0.449 17 I N -0.395 120.150 120.570 -0.041 0.000 2.761 17 I HA -0.066 4.104 4.170 -0.000 0.000 0.261 17 I C 2.025 178.138 176.117 -0.008 0.000 1.198 17 I CA 0.514 61.800 61.300 -0.023 0.000 1.482 17 I CB -0.180 37.831 38.000 0.019 0.000 1.100 17 I HN 0.288 nan 8.210 nan 0.000 0.445 18 I N 0.087 120.656 120.570 -0.001 0.000 2.208 18 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 18 I C 2.178 178.289 176.117 -0.011 0.000 1.097 18 I CA 1.622 62.921 61.300 -0.002 0.000 1.363 18 I CB -0.139 37.862 38.000 0.001 0.000 1.051 18 I HN 0.127 nan 8.210 nan 0.000 0.413 19 I N -0.734 119.824 120.570 -0.021 0.000 2.761 19 I HA -0.221 3.949 4.170 -0.000 0.000 0.261 19 I C 2.200 178.308 176.117 -0.016 0.000 1.198 19 I CA 0.378 61.665 61.300 -0.022 0.000 1.482 19 I CB -0.134 37.843 38.000 -0.037 0.000 1.100 19 I HN 0.209 nan 8.210 nan 0.000 0.445 20 M N 0.382 119.966 119.600 -0.026 0.000 2.108 20 M HA -0.155 4.324 4.480 -0.000 0.000 0.261 20 M C 2.054 178.351 176.300 -0.005 0.000 1.066 20 M CA 1.917 57.205 55.300 -0.021 0.000 1.107 20 M CB -0.761 31.820 32.600 -0.031 0.000 1.356 20 M HN 0.145 nan 8.290 nan 0.000 0.406 21 L N -1.773 119.448 121.223 -0.004 0.000 2.046 21 L HA 0.038 4.378 4.340 -0.000 0.000 0.203 21 L C 2.515 179.386 176.870 0.001 0.000 1.111 21 L CA 0.788 55.627 54.840 -0.002 0.000 0.769 21 L CB -1.565 40.493 42.059 -0.002 0.000 0.914 21 L HN 0.216 nan 8.230 nan 0.000 0.448 22 A N 0.800 123.620 122.820 -0.000 0.000 1.969 22 A HA -0.291 4.029 4.320 -0.000 0.000 0.223 22 A C 2.252 179.847 177.584 0.019 0.000 1.218 22 A CA 2.638 54.675 52.037 0.001 0.000 0.667 22 A CB -1.624 17.371 19.000 -0.009 0.000 0.826 22 A HN 0.613 nan 8.150 nan 0.000 0.472 23 G N -1.696 107.128 108.800 0.041 0.000 2.404 23 G HA2 0.168 4.128 3.960 -0.000 0.000 0.213 23 G HA3 0.168 4.128 3.960 -0.000 0.000 0.213 23 G C 1.551 176.510 174.900 0.099 0.000 1.189 23 G CA 1.090 46.258 45.100 0.113 0.000 0.796 23 G HN 0.857 nan 8.290 nan 0.000 0.532 24 G N 0.838 109.668 108.800 0.050 0.000 2.448 24 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.219 24 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.219 24 G C 1.661 176.531 174.900 -0.050 0.000 1.127 24 G CA 1.056 46.150 45.100 -0.009 0.000 0.766 24 G HN 0.434 nan 8.290 nan 0.000 0.552 25 L N 0.674 121.881 121.223 -0.028 0.000 2.270 25 L HA 0.338 4.678 4.340 -0.000 0.000 0.210 25 L C 2.469 179.313 176.870 -0.043 0.000 1.104 25 L CA 2.079 56.899 54.840 -0.033 0.000 0.804 25 L CB -1.208 40.840 42.059 -0.018 0.000 0.937 25 L HN 0.204 nan 8.230 nan 0.000 0.450 26 A N 0.251 123.050 122.820 -0.035 0.000 2.067 26 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 26 A C 2.149 179.671 177.584 -0.104 0.000 1.158 26 A CA 1.452 53.467 52.037 -0.036 0.000 0.661 26 A CB -0.585 18.426 19.000 0.017 0.000 0.801 26 A HN 0.430 nan 8.150 nan 0.000 0.452 27 I N -0.643 119.813 120.570 -0.190 0.000 2.394 27 I HA -0.135 4.035 4.170 -0.000 0.000 0.251 27 I C 1.551 177.573 176.117 -0.159 0.000 1.136 27 I CA 1.066 62.199 61.300 -0.279 0.000 1.425 27 I CB -0.129 37.635 38.000 -0.393 0.000 1.079 27 I HN 0.240 nan 8.210 nan 0.000 0.425 28 L N -0.216 120.943 121.223 -0.107 0.000 2.627 28 L HA 0.097 4.437 4.340 -0.000 0.000 0.232 28 L C 1.033 177.872 176.870 -0.052 0.000 1.150 28 L CA 0.572 55.369 54.840 -0.071 0.000 0.917 28 L CB -0.404 41.622 42.059 -0.055 0.000 1.104 28 L HN 0.018 nan 8.230 nan 0.000 0.445 29 K N 0.895 121.263 120.400 -0.052 0.000 3.439 29 K HA 0.362 4.681 4.320 -0.000 0.000 0.170 29 K C -1.494 175.091 176.600 -0.025 0.000 1.035 29 K CA -0.220 56.048 56.287 -0.031 0.000 0.794 29 K CB 0.713 33.201 32.500 -0.021 0.000 0.795 29 K HN 0.042 nan 8.250 nan 0.000 0.519 30 L N 1.213 122.415 121.223 -0.034 0.000 2.549 30 L HA 0.488 4.828 4.340 -0.000 0.000 0.259 30 L C -2.544 174.314 176.870 -0.020 0.000 0.934 30 L CA -1.248 53.581 54.840 -0.018 0.000 0.865 30 L CB 1.865 43.911 42.059 -0.021 0.000 1.352 30 L HN 0.082 nan 8.230 nan 0.000 0.410 31 P HA -0.020 nan 4.420 nan 0.000 0.255 31 P C 0.791 178.084 177.300 -0.011 0.000 1.173 31 P CA 0.042 63.141 63.100 -0.002 0.000 0.780 31 P CB 0.422 32.129 31.700 0.012 0.000 0.758 32 V N 0.945 120.843 119.914 -0.027 0.000 3.510 32 V HA 0.067 4.187 4.120 -0.000 0.000 0.270 32 V C 1.262 177.332 176.094 -0.041 0.000 1.201 32 V CA 0.310 62.586 62.300 -0.040 0.000 1.166 32 V CB -1.537 30.255 31.823 -0.051 0.000 0.825 32 V HN 0.551 nan 8.190 nan 0.000 0.484 33 A N 0.920 123.725 122.820 -0.026 0.000 2.531 33 A HA 0.244 4.564 4.320 -0.000 0.000 0.236 33 A C 1.333 178.875 177.584 -0.070 0.000 1.062 33 A CA -0.066 51.955 52.037 -0.026 0.000 0.760 33 A CB 0.181 19.184 19.000 0.004 0.000 0.995 33 A HN 0.450 nan 8.150 nan 0.000 0.501 34 Q N 0.231 119.961 119.800 -0.117 0.000 0.980 34 Q HA -0.238 4.102 4.340 -0.000 0.000 0.821 34 Q C -0.134 175.669 176.000 -0.329 0.000 0.890 34 Q CA 1.981 57.593 55.803 -0.318 0.000 0.856 34 Q CB -0.824 27.757 28.738 -0.263 0.000 0.931 34 Q HN 0.761 nan 8.270 nan 0.000 0.286 35 Y N 0.956 121.274 120.300 0.029 0.000 2.374 35 Y HA 0.365 4.915 4.550 -0.000 0.000 0.322 35 Y C -1.547 174.355 175.900 0.003 0.000 1.275 35 Y CA -2.315 55.789 58.100 0.007 0.000 1.307 35 Y CB -0.336 38.137 38.460 0.021 0.000 1.282 35 Y HN 0.375 nan 8.280 nan 0.000 0.509 36 P HA 0.158 nan 4.420 nan 0.000 0.282 36 P C -0.714 176.624 177.300 0.063 0.000 1.287 36 P CA -0.561 62.576 63.100 0.061 0.000 0.792 36 P CB 0.518 32.217 31.700 -0.001 0.000 1.163 37 T N 0.758 115.325 114.554 0.022 0.000 2.916 37 T HA 0.193 4.543 4.350 -0.000 0.000 0.303 37 T C 1.102 175.811 174.700 0.015 0.000 1.025 37 T CA 0.450 62.561 62.100 0.019 0.000 1.142 37 T CB -0.132 68.736 68.868 0.001 0.000 0.947 37 T HN 0.222 nan 8.240 nan 0.000 0.544 38 I N 1.581 122.160 120.570 0.013 0.000 3.746 38 I HA 0.366 4.536 4.170 -0.000 0.000 0.262 38 I C 1.318 177.433 176.117 -0.003 0.000 1.153 38 I CA -0.327 60.978 61.300 0.008 0.000 1.395 38 I CB -0.968 37.031 38.000 -0.002 0.000 1.589 38 I HN 0.594 nan 8.210 nan 0.000 0.441 39 A N 3.148 125.961 122.820 -0.011 0.000 2.531 39 A HA 0.379 4.699 4.320 -0.000 0.000 0.236 39 A C -2.216 175.369 177.584 0.002 0.000 1.062 39 A CA -0.619 51.411 52.037 -0.010 0.000 0.760 39 A CB -1.113 17.882 19.000 -0.008 0.000 0.995 39 A HN 0.118 nan 8.150 nan 0.000 0.501 40 P HA 0.182 nan 4.420 nan 0.000 0.261 40 P C -2.501 174.815 177.300 0.028 0.000 1.183 40 P CA -0.392 62.718 63.100 0.016 0.000 0.761 40 P CB -0.100 31.605 31.700 0.008 0.000 0.785 41 P HA 0.311 nan 4.420 nan 0.000 0.282 41 P C -0.934 176.378 177.300 0.019 0.000 1.274 41 P CA -0.088 63.006 63.100 -0.011 0.000 0.770 41 P CB 0.783 32.442 31.700 -0.068 0.000 0.867 42 A N 3.358 126.199 122.820 0.034 0.000 2.356 42 A HA 0.711 5.031 4.320 -0.000 0.000 0.323 42 A C -0.629 176.984 177.584 0.048 0.000 1.119 42 A CA -0.673 51.436 52.037 0.121 0.000 0.790 42 A CB 1.221 20.289 19.000 0.114 0.000 1.273 42 A HN 0.327 nan 8.150 nan 0.000 0.452 43 V N 0.510 120.500 119.914 0.126 0.000 2.732 43 V HA 0.738 4.858 4.120 -0.000 0.000 0.310 43 V C -0.066 176.079 176.094 0.086 0.000 1.053 43 V CA -0.370 61.971 62.300 0.069 0.000 0.957 43 V CB 2.051 33.922 31.823 0.080 0.000 1.018 43 V HN 0.960 nan 8.190 nan 0.000 0.452 44 T N 3.888 118.472 114.554 0.051 0.000 2.928 44 T HA 0.619 4.969 4.350 -0.000 0.000 0.296 44 T C -0.589 174.130 174.700 0.032 0.000 1.000 44 T CA -0.224 61.904 62.100 0.046 0.000 0.989 44 T CB 1.151 70.046 68.868 0.044 0.000 1.005 44 T HN 0.386 nan 8.240 nan 0.000 0.442 45 I N 2.576 123.163 120.570 0.029 0.000 2.353 45 I HA 0.491 4.661 4.170 -0.000 0.000 0.293 45 I C 0.357 176.481 176.117 0.013 0.000 0.992 45 I CA -0.546 60.764 61.300 0.016 0.000 1.268 45 I CB 1.450 39.458 38.000 0.013 0.000 1.387 45 I HN 0.568 nan 8.210 nan 0.000 0.478 46 S N 4.188 119.891 115.700 0.005 0.000 2.648 46 S HA 0.954 5.424 4.470 -0.000 0.000 0.305 46 S C -0.522 174.076 174.600 -0.004 0.000 1.094 46 S CA -0.807 57.394 58.200 0.003 0.000 0.983 46 S CB 2.367 65.566 63.200 -0.001 0.000 1.101 46 S HN 0.840 nan 8.310 nan 0.000 0.514 47 A N 0.595 123.414 122.820 -0.002 0.000 2.599 47 A HA 0.789 5.109 4.320 -0.000 0.000 0.294 47 A C -1.055 176.538 177.584 0.014 0.000 1.055 47 A CA -0.602 51.433 52.037 -0.003 0.000 0.683 47 A CB 1.398 20.394 19.000 -0.006 0.000 1.278 47 A HN 0.683 nan 8.150 nan 0.000 0.412 48 S N 0.150 115.863 115.700 0.022 0.000 2.619 48 S HA 0.635 5.105 4.470 -0.000 0.000 0.280 48 S C -1.824 172.852 174.600 0.128 0.000 1.150 48 S CA -0.240 57.996 58.200 0.059 0.000 0.978 48 S CB 0.911 64.130 63.200 0.032 0.000 1.041 48 S HN 0.961 nan 8.310 nan 0.000 0.485 49 Y N 6.494 126.791 120.300 -0.006 0.000 2.526 49 Y HA 0.405 4.954 4.550 -0.000 0.000 0.328 49 Y C -2.446 173.463 175.900 0.016 0.000 0.995 49 Y CA -2.796 55.307 58.100 0.004 0.000 1.304 49 Y CB 1.356 39.816 38.460 0.000 0.000 1.096 49 Y HN 0.453 nan 8.280 nan 0.000 0.499 50 P HA 0.107 nan 4.420 nan 0.000 0.266 50 P C 0.677 177.939 177.300 -0.063 0.000 1.215 50 P CA 1.703 64.840 63.100 0.062 0.000 0.763 50 P CB 1.195 32.977 31.700 0.136 0.000 0.806 51 G N 2.785 111.526 108.800 -0.098 0.000 2.397 51 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.211 51 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.211 51 G C 0.437 175.210 174.900 -0.212 0.000 1.077 51 G CA 0.041 45.063 45.100 -0.129 0.000 0.649 51 G HN 0.828 nan 8.290 nan 0.000 0.511 52 A N 1.713 124.286 122.820 -0.412 0.000 2.547 52 A HA 0.458 4.778 4.320 -0.000 0.000 0.233 52 A C 0.728 178.209 177.584 -0.172 0.000 1.067 52 A CA 1.248 53.038 52.037 -0.410 0.000 0.763 52 A CB -0.049 18.555 19.000 -0.660 0.000 1.007 52 A HN 1.016 nan 8.150 nan 0.000 0.506 53 D N 0.175 120.506 120.400 -0.115 0.000 2.569 53 D HA 0.487 5.127 4.640 -0.000 0.000 0.266 53 D C 0.862 177.149 176.300 -0.022 0.000 1.164 53 D CA 0.023 53.992 54.000 -0.053 0.000 1.071 53 D CB 1.464 42.237 40.800 -0.045 0.000 1.183 53 D HN 0.427 nan 8.370 nan 0.000 0.613 54 A N -0.460 122.357 122.820 -0.004 0.000 2.121 54 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 54 A C 1.792 179.377 177.584 0.002 0.000 1.154 54 A CA 1.248 53.286 52.037 0.002 0.000 0.679 54 A CB -0.336 18.667 19.000 0.005 0.000 0.795 54 A HN 0.400 nan 8.150 nan 0.000 0.458 55 K N -1.251 119.153 120.400 0.007 0.000 2.276 55 K HA 0.106 4.426 4.320 -0.000 0.000 0.198 55 K C 1.936 178.548 176.600 0.019 0.000 1.052 55 K CA 1.284 57.579 56.287 0.014 0.000 0.984 55 K CB -0.308 32.205 32.500 0.022 0.000 0.836 55 K HN 0.363 nan 8.250 nan 0.000 0.490 56 T N 0.842 115.406 114.554 0.015 0.000 2.639 56 T HA -0.130 4.220 4.350 -0.000 0.000 0.261 56 T C 1.925 176.682 174.700 0.095 0.000 1.053 56 T CA 1.887 64.012 62.100 0.042 0.000 1.158 56 T CB -0.486 68.379 68.868 -0.005 0.000 0.863 56 T HN 0.109 nan 8.240 nan 0.000 0.413 57 V N 0.992 120.969 119.914 0.105 0.000 2.568 57 V HA -0.191 3.929 4.120 -0.000 0.000 0.253 57 V C 2.329 178.464 176.094 0.068 0.000 1.072 57 V CA 1.842 64.222 62.300 0.134 0.000 1.084 57 V CB -1.031 30.862 31.823 0.117 0.000 0.676 57 V HN 0.366 nan 8.190 nan 0.000 0.469 58 Q N 1.606 121.430 119.800 0.040 0.000 2.364 58 Q HA -0.205 4.135 4.340 -0.000 0.000 0.209 58 Q C 1.161 177.171 176.000 0.016 0.000 0.977 58 Q CA 1.972 57.786 55.803 0.018 0.000 0.885 58 Q CB -0.032 28.707 28.738 0.001 0.000 0.941 58 Q HN 1.057 nan 8.270 nan 0.000 0.464 59 D N -3.690 116.726 120.400 0.027 0.000 2.523 59 D HA 0.013 4.653 4.640 -0.000 0.000 0.269 59 D C 0.942 177.253 176.300 0.020 0.000 1.374 59 D CA 0.221 54.232 54.000 0.018 0.000 0.820 59 D CB -0.403 40.406 40.800 0.016 0.000 1.211 59 D HN -0.017 nan 8.370 nan 0.000 0.502 60 T N -0.905 113.669 114.554 0.034 0.000 3.000 60 T HA 0.201 4.551 4.350 -0.000 0.000 0.248 60 T C 1.240 175.928 174.700 -0.020 0.000 1.034 60 T CA 1.119 63.229 62.100 0.017 0.000 1.060 60 T CB 0.273 69.174 68.868 0.055 0.000 0.983 60 T HN -0.009 nan 8.240 nan 0.000 0.482 61 V N 0.100 120.012 119.914 -0.003 0.000 2.948 61 V HA 0.136 4.255 4.120 -0.000 0.000 0.234 61 V C 2.639 178.727 176.094 -0.011 0.000 1.205 61 V CA 1.018 63.303 62.300 -0.025 0.000 1.234 61 V CB -0.706 31.104 31.823 -0.021 0.000 1.020 61 V HN 0.286 nan 8.190 nan 0.000 0.491 62 T N 0.417 114.975 114.554 0.006 0.000 2.555 62 T HA -0.282 4.068 4.350 -0.000 0.000 0.264 62 T C 1.937 176.633 174.700 -0.007 0.000 1.083 62 T CA 2.175 64.276 62.100 0.001 0.000 1.179 62 T CB -0.362 68.510 68.868 0.007 0.000 0.863 62 T HN 0.379 nan 8.240 nan 0.000 0.412 63 Q N 0.255 120.053 119.800 -0.005 0.000 2.124 63 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 63 Q C 2.651 178.643 176.000 -0.014 0.000 0.977 63 Q CA 1.087 56.884 55.803 -0.009 0.000 0.850 63 Q CB -0.543 28.192 28.738 -0.005 0.000 0.901 63 Q HN 0.394 nan 8.270 nan 0.000 0.429 64 V N 1.028 120.933 119.914 -0.015 0.000 2.392 64 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 64 V C 2.180 178.261 176.094 -0.022 0.000 1.059 64 V CA 1.487 63.775 62.300 -0.020 0.000 1.051 64 V CB -0.478 31.330 31.823 -0.026 0.000 0.658 64 V HN 0.282 nan 8.190 nan 0.000 0.455 65 I N -0.330 120.227 120.570 -0.022 0.000 2.286 65 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 65 I C 2.580 178.683 176.117 -0.023 0.000 1.104 65 I CA 1.324 62.611 61.300 -0.022 0.000 1.397 65 I CB -0.344 37.644 38.000 -0.020 0.000 1.072 65 I HN 0.333 nan 8.210 nan 0.000 0.417 66 E N 0.555 120.740 120.200 -0.024 0.000 2.153 66 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 66 E C 2.102 178.684 176.600 -0.030 0.000 0.988 66 E CA 1.079 57.461 56.400 -0.030 0.000 0.811 66 E CB -0.161 29.521 29.700 -0.030 0.000 0.746 66 E HN 0.638 nan 8.360 nan 0.000 0.466 67 Q N 0.384 120.170 119.800 -0.025 0.000 2.083 67 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 67 Q C 0.981 176.967 176.000 -0.023 0.000 0.969 67 Q CA 0.642 56.431 55.803 -0.023 0.000 0.838 67 Q CB -0.257 28.469 28.738 -0.019 0.000 0.900 67 Q HN 0.189 nan 8.270 nan 0.000 0.436 68 N N 0.149 118.835 118.700 -0.022 0.000 2.994 68 N HA 0.188 4.927 4.740 -0.000 0.000 0.306 68 N C -0.689 174.808 175.510 -0.022 0.000 1.348 68 N CA -0.157 52.880 53.050 -0.021 0.000 1.109 68 N CB 0.217 38.692 38.487 -0.020 0.000 1.415 68 N HN -0.005 nan 8.380 nan 0.000 0.529 69 M N 1.912 121.496 119.600 -0.027 0.000 3.600 69 M HA 0.227 4.707 4.480 -0.000 0.000 0.397 69 M C -1.705 174.570 176.300 -0.041 0.000 1.860 69 M CA -0.594 54.688 55.300 -0.030 0.000 0.514 69 M CB -0.007 32.573 32.600 -0.034 0.000 1.473 69 M HN 0.139 nan 8.290 nan 0.000 0.485 70 N N -0.773 117.907 118.700 -0.034 0.000 2.831 70 N HA 0.798 5.538 4.740 -0.000 0.000 0.276 70 N C 0.208 175.700 175.510 -0.030 0.000 1.416 70 N CA -0.237 52.789 53.050 -0.040 0.000 0.799 70 N CB 0.485 38.950 38.487 -0.037 0.000 1.554 70 N HN 0.300 nan 8.380 nan 0.000 0.541 71 G N -0.574 108.207 108.800 -0.032 0.000 2.314 71 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.292 71 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.292 71 G C -0.679 174.212 174.900 -0.015 0.000 1.059 71 G CA 0.516 45.603 45.100 -0.022 0.000 0.982 71 G HN 0.631 nan 8.290 nan 0.000 0.505 72 I N -0.696 119.859 120.570 -0.024 0.000 2.740 72 I HA 0.394 4.564 4.170 -0.000 0.000 0.303 72 I C -0.670 175.444 176.117 -0.004 0.000 1.044 72 I CA -1.223 60.076 61.300 -0.002 0.000 1.064 72 I CB 1.890 39.888 38.000 -0.002 0.000 1.249 72 I HN -0.097 nan 8.210 nan 0.000 0.433 73 D N 4.899 125.326 120.400 0.046 0.000 2.249 73 D HA 0.226 4.866 4.640 -0.000 0.000 0.246 73 D C -0.474 175.877 176.300 0.085 0.000 1.114 73 D CA 0.051 54.079 54.000 0.046 0.000 0.854 73 D CB 0.840 41.671 40.800 0.052 0.000 1.132 73 D HN 0.457 nan 8.370 nan 0.000 0.461 74 N N 1.284 120.000 118.700 0.026 0.000 3.734 74 N HA -0.200 4.540 4.740 -0.000 0.000 0.293 74 N C -1.335 174.095 175.510 -0.133 0.000 2.048 74 N CA 0.278 53.340 53.050 0.019 0.000 2.515 74 N CB -0.250 38.310 38.487 0.122 0.000 0.580 74 N HN 0.367 nan 8.380 nan 0.000 0.627 75 L N 3.170 124.249 121.223 -0.240 0.000 3.586 75 L HA 0.180 4.520 4.340 -0.000 0.000 0.267 75 L C 0.437 177.120 176.870 -0.312 0.000 0.980 75 L CA -0.352 54.211 54.840 -0.462 0.000 1.199 75 L CB 1.092 42.835 42.059 -0.526 0.000 1.946 75 L HN 0.603 nan 8.230 nan 0.000 0.595 76 M N 3.818 123.195 119.600 -0.371 0.000 2.429 76 M HA 0.358 4.838 4.480 -0.000 0.000 0.265 76 M C -0.320 175.905 176.300 -0.126 0.000 1.120 76 M CA 0.866 56.029 55.300 -0.229 0.000 1.173 76 M CB -0.046 32.429 32.600 -0.208 0.000 1.343 76 M HN 0.515 nan 8.290 nan 0.000 0.464 77 Y N -0.328 119.867 120.300 -0.175 0.000 2.689 77 Y HA 0.750 5.300 4.550 -0.000 0.000 0.333 77 Y C -1.101 174.610 175.900 -0.314 0.000 1.208 77 Y CA -2.693 55.258 58.100 -0.248 0.000 1.055 77 Y CB 0.713 39.026 38.460 -0.244 0.000 1.304 77 Y HN 0.131 nan 8.280 nan 0.000 0.455 78 M N 1.784 121.297 119.600 -0.144 0.000 2.690 78 M HA 0.964 5.444 4.480 -0.000 0.000 0.302 78 M C -1.178 174.944 176.300 -0.296 0.000 1.234 78 M CA -0.439 54.767 55.300 -0.156 0.000 0.853 78 M CB 2.725 35.234 32.600 -0.152 0.000 1.748 78 M HN 1.070 nan 8.290 nan 0.000 0.469 79 S N 0.589 116.203 115.700 -0.145 0.000 2.720 79 S HA 0.921 5.390 4.470 -0.000 0.000 0.287 79 S C -0.864 173.717 174.600 -0.033 0.000 1.168 79 S CA -0.495 57.637 58.200 -0.113 0.000 0.832 79 S CB 1.743 64.932 63.200 -0.017 0.000 1.166 79 S HN 1.125 nan 8.310 nan 0.000 0.493 80 S N 0.039 115.739 115.700 0.002 0.000 2.552 80 S HA 0.615 5.085 4.470 -0.000 0.000 0.272 80 S C -2.443 172.170 174.600 0.021 0.000 1.150 80 S CA -0.744 57.462 58.200 0.009 0.000 0.849 80 S CB 1.140 64.337 63.200 -0.005 0.000 1.113 80 S HN 0.723 nan 8.310 nan 0.000 0.458 81 N N 2.164 120.877 118.700 0.022 0.000 2.577 81 N HA 0.303 5.043 4.740 -0.000 0.000 0.275 81 N C -1.585 173.936 175.510 0.017 0.000 1.091 81 N CA -0.436 52.628 53.050 0.024 0.000 0.843 81 N CB 1.805 40.317 38.487 0.041 0.000 1.295 81 N HN 0.418 nan 8.380 nan 0.000 0.530 82 S N 1.006 116.709 115.700 0.005 0.000 2.955 82 S HA 0.191 4.661 4.470 -0.000 0.000 0.294 82 S C 0.146 174.749 174.600 0.006 0.000 1.198 82 S CA -0.698 57.506 58.200 0.006 0.000 1.008 82 S CB 0.720 63.918 63.200 -0.004 0.000 1.279 82 S HN 0.333 nan 8.310 nan 0.000 0.508 83 D N 1.921 122.331 120.400 0.016 0.000 2.360 83 D HA 0.072 4.712 4.640 -0.000 0.000 0.242 83 D C 1.226 177.534 176.300 0.013 0.000 1.184 83 D CA 0.091 54.101 54.000 0.017 0.000 0.930 83 D CB 1.091 41.904 40.800 0.022 0.000 1.161 83 D HN 0.514 nan 8.370 nan 0.000 0.447 84 S N -0.736 114.972 115.700 0.014 0.000 2.527 84 S HA -0.073 4.397 4.470 -0.000 0.000 0.222 84 S C 1.477 176.078 174.600 0.001 0.000 0.985 84 S CA 0.399 58.604 58.200 0.009 0.000 0.921 84 S CB 0.045 63.258 63.200 0.021 0.000 0.772 84 S HN 0.401 nan 8.310 nan 0.000 0.529 85 T N 1.666 116.223 114.554 0.005 0.000 3.113 85 T HA 0.351 4.701 4.350 -0.000 0.000 0.263 85 T C 1.098 175.792 174.700 -0.010 0.000 1.143 85 T CA 0.629 62.727 62.100 -0.002 0.000 1.090 85 T CB -0.627 68.240 68.868 -0.001 0.000 0.922 85 T HN 0.998 nan 8.240 nan 0.000 0.521 86 G N 2.541 111.338 108.800 -0.005 0.000 2.643 86 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.280 86 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.280 86 G C -0.086 174.843 174.900 0.048 0.000 1.120 86 G CA -0.274 44.830 45.100 0.008 0.000 1.165 86 G HN 0.707 nan 8.290 nan 0.000 0.540 87 T N -2.869 111.711 114.554 0.043 0.000 3.798 87 T HA 0.540 4.890 4.350 -0.000 0.000 0.339 87 T C -0.605 174.114 174.700 0.032 0.000 0.967 87 T CA -0.167 61.955 62.100 0.036 0.000 1.046 87 T CB 1.730 70.605 68.868 0.012 0.000 1.092 87 T HN 1.475 nan 8.240 nan 0.000 0.465 88 V N 2.890 122.824 119.914 0.034 0.000 2.581 88 V HA 0.812 4.931 4.120 -0.000 0.000 0.303 88 V C -0.989 175.117 176.094 0.020 0.000 1.041 88 V CA -0.450 61.866 62.300 0.027 0.000 0.907 88 V CB 1.749 33.588 31.823 0.026 0.000 0.994 88 V HN 1.052 nan 8.190 nan 0.000 0.442 89 Q N 5.268 125.082 119.800 0.023 0.000 2.269 89 Q HA 0.503 4.843 4.340 -0.000 0.000 0.263 89 Q C -2.091 173.925 176.000 0.027 0.000 0.983 89 Q CA -0.647 55.171 55.803 0.025 0.000 0.777 89 Q CB 1.924 30.681 28.738 0.032 0.000 1.273 89 Q HN 0.668 nan 8.270 nan 0.000 0.440 90 I N 2.355 122.938 120.570 0.021 0.000 2.498 90 I HA 0.442 4.612 4.170 -0.000 0.000 0.301 90 I C -0.228 175.906 176.117 0.029 0.000 0.984 90 I CA -0.176 61.134 61.300 0.016 0.000 1.204 90 I CB 2.290 40.290 38.000 0.001 0.000 1.362 90 I HN 0.591 nan 8.210 nan 0.000 0.471 91 T N 6.224 120.796 114.554 0.031 0.000 2.890 91 T HA 0.593 4.943 4.350 -0.000 0.000 0.295 91 T C -0.625 174.096 174.700 0.035 0.000 0.993 91 T CA -0.435 61.697 62.100 0.053 0.000 0.979 91 T CB 0.615 69.531 68.868 0.081 0.000 0.967 91 T HN 0.088 nan 8.240 nan 0.000 0.441 92 L N 3.227 124.472 121.223 0.038 0.000 2.289 92 L HA 0.584 4.924 4.340 -0.000 0.000 0.285 92 L C 0.553 177.411 176.870 -0.020 0.000 1.049 92 L CA -0.197 54.605 54.840 -0.064 0.000 0.804 92 L CB 1.381 43.390 42.059 -0.084 0.000 1.195 92 L HN 0.585 nan 8.230 nan 0.000 0.428 93 T N 2.814 117.196 114.554 -0.287 0.000 2.792 93 T HA 0.652 5.002 4.350 -0.000 0.000 0.280 93 T C -0.464 174.017 174.700 -0.366 0.000 0.990 93 T CA -0.329 61.634 62.100 -0.227 0.000 0.960 93 T CB 0.722 69.311 68.868 -0.465 0.000 0.939 93 T HN 0.025 nan 8.240 nan 0.000 0.439 94 F N 0.905 120.729 119.950 -0.210 0.000 2.525 94 F HA 0.520 5.047 4.527 -0.000 0.000 0.346 94 F C 0.948 176.665 175.800 -0.138 0.000 1.072 94 F CA -1.452 56.453 58.000 -0.159 0.000 1.033 94 F CB 0.579 39.518 39.000 -0.102 0.000 1.324 94 F HN 0.317 nan 8.300 nan 0.000 0.491 95 E N -0.171 120.084 120.200 0.092 0.000 2.404 95 E HA 0.058 4.408 4.350 -0.000 0.000 0.261 95 E C -0.267 176.355 176.600 0.037 0.000 1.074 95 E CA -0.202 56.214 56.400 0.027 0.000 0.917 95 E CB 0.665 30.374 29.700 0.016 0.000 0.965 95 E HN 0.381 nan 8.360 nan 0.000 0.433 96 S N 0.157 115.863 115.700 0.011 0.000 2.533 96 S HA 0.351 4.821 4.470 -0.000 0.000 0.282 96 S C 1.075 175.683 174.600 0.014 0.000 1.304 96 S CA 0.739 58.946 58.200 0.011 0.000 1.063 96 S CB -0.094 63.108 63.200 0.003 0.000 0.881 96 S HN 0.685 nan 8.310 nan 0.000 0.493 97 G N 3.437 112.246 108.800 0.014 0.000 2.176 97 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.253 97 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.253 97 G C 0.243 175.145 174.900 0.003 0.000 0.979 97 G CA 0.290 45.398 45.100 0.013 0.000 0.641 97 G HN 0.849 nan 8.290 nan 0.000 0.530 98 T N 0.948 115.503 114.554 0.001 0.000 2.918 98 T HA 0.398 4.748 4.350 -0.000 0.000 0.302 98 T C 0.195 174.859 174.700 -0.060 0.000 1.045 98 T CA 0.464 62.557 62.100 -0.011 0.000 1.114 98 T CB 1.328 70.213 68.868 0.029 0.000 0.965 98 T HN 0.316 nan 8.240 nan 0.000 0.540 99 D N 1.143 121.503 120.400 -0.067 0.000 2.358 99 D HA 0.303 4.943 4.640 -0.000 0.000 0.258 99 D C 0.895 177.099 176.300 -0.160 0.000 1.223 99 D CA -0.272 53.676 54.000 -0.086 0.000 0.886 99 D CB 0.634 41.398 40.800 -0.060 0.000 1.120 99 D HN 0.511 nan 8.370 nan 0.000 0.482 100 A N 4.127 126.851 122.820 -0.160 0.000 2.066 100 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 100 A C 1.819 179.296 177.584 -0.179 0.000 1.157 100 A CA 0.788 52.695 52.037 -0.217 0.000 0.670 100 A CB -0.113 18.793 19.000 -0.156 0.000 0.804 100 A HN 0.650 nan 8.150 nan 0.000 0.453 101 D N -0.131 120.198 120.400 -0.118 0.000 2.078 101 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 101 D C 1.787 178.031 176.300 -0.092 0.000 0.990 101 D CA 1.632 55.580 54.000 -0.087 0.000 0.827 101 D CB -0.230 40.535 40.800 -0.057 0.000 0.975 101 D HN 0.406 nan 8.370 nan 0.000 0.451 102 I N 1.224 121.739 120.570 -0.091 0.000 2.315 102 I HA -0.139 4.031 4.170 -0.000 0.000 0.248 102 I C 2.121 178.173 176.117 -0.108 0.000 1.117 102 I CA 1.017 62.272 61.300 -0.075 0.000 1.404 102 I CB -0.455 37.516 38.000 -0.049 0.000 1.071 102 I HN -0.093 nan 8.210 nan 0.000 0.419 103 A N -0.185 122.505 122.820 -0.217 0.000 2.024 103 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 103 A C 2.333 179.741 177.584 -0.293 0.000 1.164 103 A CA 1.962 53.758 52.037 -0.401 0.000 0.643 103 A CB -0.800 17.586 19.000 -1.023 0.000 0.806 103 A HN 0.688 nan 8.150 nan 0.000 0.451 104 Q N -0.008 119.665 119.800 -0.212 0.000 1.941 104 Q HA -0.138 4.202 4.340 -0.000 0.000 0.201 104 Q C 1.957 177.934 176.000 -0.039 0.000 0.982 104 Q CA 2.340 58.081 55.803 -0.104 0.000 0.839 104 Q CB -0.400 28.285 28.738 -0.088 0.000 0.904 104 Q HN 0.352 nan 8.270 nan 0.000 0.427 105 V N 1.709 121.599 119.914 -0.040 0.000 2.251 105 V HA -0.432 3.687 4.120 -0.000 0.000 0.259 105 V C 2.474 178.571 176.094 0.004 0.000 1.078 105 V CA 2.690 64.980 62.300 -0.017 0.000 1.072 105 V CB -1.230 30.581 31.823 -0.019 0.000 0.681 105 V HN 0.525 nan 8.190 nan 0.000 0.454 106 Q N -1.001 118.810 119.800 0.019 0.000 2.084 106 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 106 Q C 2.375 178.407 176.000 0.053 0.000 0.978 106 Q CA 1.840 57.670 55.803 0.044 0.000 0.844 106 Q CB -0.462 28.324 28.738 0.081 0.000 0.898 106 Q HN 0.577 nan 8.270 nan 0.000 0.426 107 V N 1.308 121.270 119.914 0.080 0.000 2.453 107 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 107 V C 2.242 178.356 176.094 0.033 0.000 1.048 107 V CA 2.186 64.529 62.300 0.072 0.000 1.049 107 V CB -0.154 31.743 31.823 0.123 0.000 0.672 107 V HN 0.461 nan 8.190 nan 0.000 0.457 108 Q N -0.987 118.826 119.800 0.022 0.000 2.425 108 Q HA -0.014 4.326 4.340 -0.000 0.000 0.204 108 Q C 1.467 177.467 176.000 0.001 0.000 0.933 108 Q CA 1.422 57.230 55.803 0.007 0.000 0.939 108 Q CB -0.043 28.695 28.738 0.000 0.000 1.044 108 Q HN 0.550 nan 8.270 nan 0.000 0.513 109 N N 0.333 119.035 118.700 0.004 0.000 2.499 109 N HA -0.007 4.733 4.740 -0.000 0.000 0.182 109 N C 1.071 176.580 175.510 -0.002 0.000 1.034 109 N CA 1.306 54.356 53.050 -0.001 0.000 0.882 109 N CB 0.038 38.525 38.487 0.001 0.000 1.125 109 N HN 0.308 nan 8.380 nan 0.000 0.436 110 K N 1.484 121.885 120.400 0.001 0.000 2.432 110 K HA 0.143 4.463 4.320 -0.000 0.000 0.196 110 K C 1.708 178.304 176.600 -0.006 0.000 1.038 110 K CA 0.489 56.775 56.287 -0.003 0.000 0.986 110 K CB -0.266 32.233 32.500 -0.000 0.000 0.782 110 K HN 0.159 nan 8.250 nan 0.000 0.485 111 L N 0.699 121.919 121.223 -0.005 0.000 2.046 111 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 111 L C 1.972 178.833 176.870 -0.015 0.000 1.077 111 L CA 1.548 56.382 54.840 -0.010 0.000 0.747 111 L CB -0.334 41.721 42.059 -0.007 0.000 0.896 111 L HN 0.456 nan 8.230 nan 0.000 0.432 112 Q N 0.540 120.332 119.800 -0.013 0.000 2.259 112 Q HA -0.014 4.326 4.340 -0.000 0.000 0.228 112 Q C 0.948 176.939 176.000 -0.016 0.000 0.909 112 Q CA 0.325 56.118 55.803 -0.017 0.000 0.948 112 Q CB 0.141 28.870 28.738 -0.015 0.000 1.041 112 Q HN 0.681 nan 8.270 nan 0.000 0.445 113 L N -1.008 120.205 121.223 -0.016 0.000 2.467 113 L HA 0.286 4.626 4.340 -0.000 0.000 0.213 113 L C 2.201 179.059 176.870 -0.019 0.000 1.053 113 L CA 0.680 55.510 54.840 -0.016 0.000 0.847 113 L CB -0.378 41.673 42.059 -0.014 0.000 1.075 113 L HN 0.177 nan 8.230 nan 0.000 0.479 114 A N -0.100 122.708 122.820 -0.021 0.000 2.066 114 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 114 A C 2.240 179.805 177.584 -0.032 0.000 1.157 114 A CA 0.909 52.930 52.037 -0.026 0.000 0.670 114 A CB -0.317 18.668 19.000 -0.025 0.000 0.804 114 A HN 0.218 nan 8.150 nan 0.000 0.453 115 M N -0.111 119.470 119.600 -0.031 0.000 2.116 115 M HA -0.128 4.351 4.480 -0.000 0.000 0.255 115 M C -1.108 175.166 176.300 -0.044 0.000 1.075 115 M CA 1.551 56.828 55.300 -0.038 0.000 1.087 115 M CB -1.921 30.659 32.600 -0.034 0.000 1.340 115 M HN 0.171 nan 8.290 nan 0.000 0.402 116 P HA 0.123 nan 4.420 nan 0.000 0.256 116 P C 0.174 177.452 177.300 -0.038 0.000 1.384 116 P CA 0.456 63.534 63.100 -0.037 0.000 0.879 116 P CB -0.107 31.576 31.700 -0.028 0.000 1.403 117 L N -0.214 120.984 121.223 -0.041 0.000 3.154 117 L HA 0.389 4.729 4.340 -0.000 0.000 0.266 117 L C -0.108 176.729 176.870 -0.055 0.000 1.300 117 L CA 0.188 55.004 54.840 -0.040 0.000 1.028 117 L CB 0.296 42.336 42.059 -0.032 0.000 1.412 117 L HN 0.068 nan 8.230 nan 0.000 0.564 118 L N 0.995 122.174 121.223 -0.073 0.000 2.493 118 L HA 0.457 4.797 4.340 -0.000 0.000 0.265 118 L C -2.340 174.443 176.870 -0.146 0.000 0.954 118 L CA -1.397 53.377 54.840 -0.110 0.000 0.844 118 L CB 3.367 45.364 42.059 -0.103 0.000 1.302 118 L HN -0.089 nan 8.230 nan 0.000 0.405 119 P HA -0.094 nan 4.420 nan 0.000 0.263 119 P C 0.132 177.307 177.300 -0.210 0.000 1.168 119 P CA 0.215 63.156 63.100 -0.265 0.000 0.759 119 P CB 0.429 31.762 31.700 -0.611 0.000 0.782 120 Q N 1.451 121.180 119.800 -0.118 0.000 2.369 120 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 120 Q C 1.033 176.994 176.000 -0.065 0.000 0.963 120 Q CA 1.318 57.077 55.803 -0.074 0.000 0.894 120 Q CB -0.303 28.418 28.738 -0.029 0.000 0.965 120 Q HN 0.341 nan 8.270 nan 0.000 0.475 121 E N 0.796 120.955 120.200 -0.068 0.000 2.077 121 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 121 E C 1.900 178.447 176.600 -0.088 0.000 0.989 121 E CA 1.296 57.695 56.400 -0.002 0.000 0.800 121 E CB -0.127 29.678 29.700 0.176 0.000 0.746 121 E HN 0.192 nan 8.360 nan 0.000 0.452 122 V N 0.250 120.025 119.914 -0.231 0.000 2.719 122 V HA -0.198 3.922 4.120 -0.000 0.000 0.252 122 V C 1.974 177.978 176.094 -0.150 0.000 1.065 122 V CA 1.472 63.649 62.300 -0.204 0.000 1.086 122 V CB -0.104 31.528 31.823 -0.318 0.000 0.700 122 V HN 0.252 nan 8.190 nan 0.000 0.467 123 Q N -0.305 119.410 119.800 -0.142 0.000 2.049 123 Q HA -0.233 4.107 4.340 -0.000 0.000 0.198 123 Q C 2.261 178.188 176.000 -0.121 0.000 0.971 123 Q CA 1.886 57.623 55.803 -0.110 0.000 0.833 123 Q CB -0.091 28.594 28.738 -0.087 0.000 0.896 123 Q HN 0.836 nan 8.270 nan 0.000 0.434 124 Q N -0.178 119.532 119.800 -0.149 0.000 2.435 124 Q HA -0.058 4.282 4.340 -0.000 0.000 0.207 124 Q C 0.576 176.335 176.000 -0.401 0.000 0.956 124 Q CA 0.288 55.950 55.803 -0.234 0.000 0.917 124 Q CB 0.231 28.844 28.738 -0.209 0.000 0.997 124 Q HN 0.132 nan 8.270 nan 0.000 0.497 125 Q N 0.825 120.455 119.800 -0.283 0.000 2.189 125 Q HA 0.431 4.771 4.340 -0.000 0.000 0.193 125 Q C -0.391 175.526 176.000 -0.137 0.000 1.034 125 Q CA 0.279 55.948 55.803 -0.225 0.000 1.062 125 Q CB 0.878 29.551 28.738 -0.108 0.000 1.118 125 Q HN 0.368 nan 8.270 nan 0.000 0.569 126 G N 0.156 108.906 108.800 -0.083 0.000 2.448 126 G HA2 0.442 4.402 3.960 -0.000 0.000 0.309 126 G HA3 0.442 4.402 3.960 -0.000 0.000 0.309 126 G C -0.808 174.067 174.900 -0.042 0.000 1.027 126 G CA -0.415 44.653 45.100 -0.054 0.000 1.104 126 G HN 0.342 nan 8.290 nan 0.000 0.428 127 V N 1.694 121.581 119.914 -0.045 0.000 2.686 127 V HA 0.710 4.830 4.120 -0.000 0.000 0.295 127 V C 0.441 176.520 176.094 -0.024 0.000 1.057 127 V CA -0.546 61.734 62.300 -0.034 0.000 1.012 127 V CB 1.301 33.102 31.823 -0.038 0.000 1.006 127 V HN 0.636 nan 8.190 nan 0.000 0.477 128 S N 1.774 117.465 115.700 -0.016 0.000 2.537 128 S HA 0.724 5.194 4.470 -0.000 0.000 0.270 128 S C -1.013 173.585 174.600 -0.004 0.000 1.142 128 S CA -0.586 57.608 58.200 -0.010 0.000 0.870 128 S CB 2.130 65.325 63.200 -0.008 0.000 1.112 128 S HN 0.559 nan 8.310 nan 0.000 0.466 129 V N 2.816 122.728 119.914 -0.003 0.000 2.569 129 V HA 0.570 4.690 4.120 -0.000 0.000 0.301 129 V C -0.538 175.554 176.094 -0.003 0.000 1.044 129 V CA -0.616 61.685 62.300 0.001 0.000 0.874 129 V CB 1.642 33.466 31.823 0.002 0.000 1.002 129 V HN 0.990 nan 8.190 nan 0.000 0.424 130 E N 3.011 123.211 120.200 -0.000 0.000 2.446 130 E HA 0.703 5.053 4.350 -0.000 0.000 0.267 130 E C -1.584 175.009 176.600 -0.010 0.000 0.955 130 E CA -1.379 55.018 56.400 -0.004 0.000 0.842 130 E CB 1.877 31.580 29.700 0.005 0.000 1.504 130 E HN 0.284 nan 8.360 nan 0.000 0.438 131 K N 1.176 121.569 120.400 -0.013 0.000 2.316 131 K HA 0.277 4.597 4.320 -0.000 0.000 0.267 131 K C -0.650 175.946 176.600 -0.006 0.000 1.025 131 K CA -0.319 55.956 56.287 -0.021 0.000 0.896 131 K CB 1.595 34.077 32.500 -0.030 0.000 1.124 131 K HN 0.459 nan 8.250 nan 0.000 0.451 132 S N 1.770 117.470 115.700 0.000 0.000 2.592 132 S HA 0.444 4.914 4.470 -0.000 0.000 0.271 132 S C -0.286 174.313 174.600 -0.001 0.000 1.326 132 S CA -0.233 57.972 58.200 0.009 0.000 1.024 132 S CB 0.474 63.691 63.200 0.028 0.000 0.921 132 S HN 0.368 nan 8.310 nan 0.000 0.527 133 S N 2.084 117.775 115.700 -0.014 0.000 2.612 133 S HA 0.153 4.623 4.470 -0.000 0.000 0.167 133 S C -0.596 173.961 174.600 -0.073 0.000 0.961 133 S CA -0.640 57.542 58.200 -0.029 0.000 1.085 133 S CB 0.394 63.581 63.200 -0.022 0.000 1.477 133 S HN 0.999 nan 8.310 nan 0.000 0.413 134 S N 2.077 117.746 115.700 -0.050 0.000 3.232 134 S HA 0.408 4.878 4.470 -0.000 0.000 0.298 134 S C 0.195 174.708 174.600 -0.144 0.000 1.159 134 S CA -0.141 58.020 58.200 -0.066 0.000 1.240 134 S CB -0.871 62.312 63.200 -0.028 0.000 1.584 134 S HN 1.153 nan 8.310 nan 0.000 0.558 135 S N 1.008 116.574 115.700 -0.223 0.000 2.322 135 S HA 0.271 4.741 4.470 -0.000 0.000 0.321 135 S C -0.566 173.926 174.600 -0.179 0.000 0.712 135 S CA -1.046 57.076 58.200 -0.130 0.000 0.793 135 S CB -1.410 61.775 63.200 -0.024 0.000 1.162 135 S HN 0.403 nan 8.310 nan 0.000 0.475 136 F N 2.418 122.378 119.950 0.017 0.000 2.373 136 F HA 0.735 5.262 4.527 -0.000 0.000 0.302 136 F C 1.578 177.335 175.800 -0.071 0.000 1.247 136 F CA -0.290 57.661 58.000 -0.082 0.000 1.169 136 F CB 0.371 39.209 39.000 -0.270 0.000 1.309 136 F HN 0.649 nan 8.300 nan 0.000 0.537 137 L N -1.997 119.326 121.223 0.166 0.000 2.681 137 L HA 0.377 4.717 4.340 -0.000 0.000 0.163 137 L C 0.058 177.019 176.870 0.152 0.000 1.188 137 L CA -0.591 54.363 54.840 0.191 0.000 0.944 137 L CB -0.099 42.064 42.059 0.174 0.000 1.835 137 L HN 0.247 nan 8.230 nan 0.000 0.510 138 M N 3.016 122.684 119.600 0.114 0.000 2.105 138 M HA 0.349 4.829 4.480 -0.000 0.000 0.350 138 M C -1.083 175.219 176.300 0.003 0.000 1.308 138 M CA -0.111 55.238 55.300 0.081 0.000 1.108 138 M CB 1.485 34.139 32.600 0.090 0.000 1.622 138 M HN 0.101 nan 8.290 nan 0.000 0.468 139 V N 5.701 125.557 119.914 -0.095 0.000 2.266 139 V HA 0.167 4.287 4.120 -0.000 0.000 0.266 139 V C -0.023 175.834 176.094 -0.396 0.000 1.036 139 V CA -0.653 61.474 62.300 -0.288 0.000 0.828 139 V CB 0.984 32.552 31.823 -0.426 0.000 1.081 139 V HN 0.574 nan 8.190 nan 0.000 0.449 140 V N 3.540 123.273 119.914 -0.302 0.000 2.397 140 V HA 0.345 4.465 4.120 -0.000 0.000 0.262 140 V C 1.376 177.174 176.094 -0.494 0.000 1.047 140 V CA 0.023 62.116 62.300 -0.344 0.000 1.003 140 V CB 0.459 32.157 31.823 -0.207 0.000 1.037 140 V HN 0.754 nan 8.190 nan 0.000 0.480 141 G N 3.945 112.360 108.800 -0.641 0.000 2.544 141 G HA2 0.439 4.399 3.960 -0.000 0.000 0.242 141 G HA3 0.439 4.399 3.960 -0.000 0.000 0.242 141 G C -0.549 174.091 174.900 -0.432 0.000 1.247 141 G CA -0.190 44.565 45.100 -0.575 0.000 0.840 141 G HN 0.711 nan 8.290 nan 0.000 0.578 142 V N 3.318 123.071 119.914 -0.269 0.000 2.559 142 V HA 0.405 4.525 4.120 -0.000 0.000 0.289 142 V C 0.158 176.161 176.094 -0.151 0.000 1.036 142 V CA -0.592 61.577 62.300 -0.219 0.000 0.887 142 V CB 0.643 32.354 31.823 -0.187 0.000 1.022 142 V HN 0.881 nan 8.190 nan 0.000 0.442 143 I N 0.810 121.297 120.570 -0.139 0.000 3.264 143 I HA 0.763 4.932 4.170 -0.000 0.000 0.309 143 I C -0.803 175.289 176.117 -0.041 0.000 1.099 143 I CA -0.694 60.575 61.300 -0.052 0.000 0.989 143 I CB 2.470 40.485 38.000 0.025 0.000 1.250 143 I HN 0.513 nan 8.210 nan 0.000 0.478 144 N N 0.093 118.791 118.700 -0.003 0.000 2.292 144 N HA 0.471 5.211 4.740 -0.000 0.000 0.303 144 N C -0.389 175.136 175.510 0.026 0.000 1.140 144 N CA 0.128 53.178 53.050 0.000 0.000 0.788 144 N CB 2.469 40.951 38.487 -0.008 0.000 1.361 144 N HN 0.946 nan 8.380 nan 0.000 0.489 145 T N -1.123 113.447 114.554 0.026 0.000 3.280 145 T HA 0.081 4.431 4.350 -0.000 0.000 0.256 145 T C 0.998 175.715 174.700 0.027 0.000 0.995 145 T CA 0.204 62.324 62.100 0.034 0.000 1.144 145 T CB -0.087 68.806 68.868 0.042 0.000 1.140 145 T HN 0.395 nan 8.240 nan 0.000 0.423 146 D N 2.363 122.779 120.400 0.027 0.000 2.196 146 D HA 0.204 4.844 4.640 -0.000 0.000 0.228 146 D C 1.488 177.800 176.300 0.019 0.000 1.028 146 D CA 1.065 55.079 54.000 0.024 0.000 0.924 146 D CB -0.708 40.109 40.800 0.027 0.000 1.025 146 D HN 0.502 nan 8.370 nan 0.000 0.438 147 G N 0.852 109.663 108.800 0.018 0.000 2.716 147 G HA2 0.270 4.230 3.960 -0.000 0.000 0.296 147 G HA3 0.270 4.230 3.960 -0.000 0.000 0.296 147 G C -0.131 174.774 174.900 0.009 0.000 0.811 147 G CA -0.164 44.943 45.100 0.013 0.000 1.758 147 G HN 0.190 nan 8.290 nan 0.000 0.512 148 T N 4.060 118.621 114.554 0.012 0.000 2.928 148 T HA 0.374 4.724 4.350 -0.000 0.000 0.305 148 T C 0.706 175.413 174.700 0.012 0.000 1.035 148 T CA 0.411 62.519 62.100 0.012 0.000 1.145 148 T CB 0.532 69.409 68.868 0.015 0.000 0.963 148 T HN 0.638 nan 8.240 nan 0.000 0.545 149 M N 0.723 120.329 119.600 0.010 0.000 2.664 149 M HA 0.639 5.119 4.480 -0.000 0.000 0.279 149 M C -0.126 176.184 176.300 0.016 0.000 1.275 149 M CA -1.188 54.121 55.300 0.014 0.000 0.829 149 M CB 1.889 34.491 32.600 0.003 0.000 1.727 149 M HN 0.556 nan 8.290 nan 0.000 0.459 150 T N -1.456 113.114 114.554 0.026 0.000 2.884 150 T HA 0.365 4.715 4.350 -0.000 0.000 0.277 150 T C 0.141 174.847 174.700 0.011 0.000 0.976 150 T CA -0.752 61.365 62.100 0.028 0.000 0.956 150 T CB 0.849 69.749 68.868 0.054 0.000 1.113 150 T HN 0.808 nan 8.240 nan 0.000 0.554 151 Q N 0.490 120.297 119.800 0.012 0.000 3.026 151 Q HA 0.409 4.749 4.340 -0.000 0.000 0.258 151 Q C -0.098 175.899 176.000 -0.005 0.000 1.388 151 Q CA -0.250 55.550 55.803 -0.005 0.000 1.000 151 Q CB 0.117 28.850 28.738 -0.008 0.000 1.634 151 Q HN 0.891 nan 8.270 nan 0.000 0.571 152 E N 0.679 120.858 120.200 -0.035 0.000 1.474 152 E HA -0.106 4.244 4.350 -0.000 0.000 0.228 152 E C 0.476 176.941 176.600 -0.226 0.000 1.061 152 E CA 0.537 56.896 56.400 -0.069 0.000 1.329 152 E CB -0.606 29.136 29.700 0.070 0.000 4.423 152 E HN 0.382 nan 8.360 nan 0.000 0.784 153 D N 0.749 121.078 120.400 -0.118 0.000 2.144 153 D HA -0.052 4.588 4.640 -0.000 0.000 0.199 153 D C 1.897 178.095 176.300 -0.171 0.000 0.984 153 D CA 1.636 55.541 54.000 -0.158 0.000 0.834 153 D CB 0.147 40.954 40.800 0.012 0.000 0.955 153 D HN 0.326 nan 8.370 nan 0.000 0.465 154 I N 0.905 121.413 120.570 -0.102 0.000 2.333 154 I HA -0.188 3.982 4.170 -0.000 0.000 0.246 154 I C 2.374 178.438 176.117 -0.088 0.000 1.106 154 I CA 0.547 61.806 61.300 -0.068 0.000 1.411 154 I CB -0.078 37.886 38.000 -0.060 0.000 1.082 154 I HN -0.147 nan 8.210 nan 0.000 0.420 155 S N 0.380 116.012 115.700 -0.114 0.000 2.419 155 S HA -0.245 4.225 4.470 -0.000 0.000 0.235 155 S C 1.570 176.084 174.600 -0.143 0.000 1.019 155 S CA 1.790 59.928 58.200 -0.103 0.000 0.982 155 S CB -0.476 62.664 63.200 -0.099 0.000 0.789 155 S HN 0.589 nan 8.310 nan 0.000 0.490 156 D N 0.325 120.569 120.400 -0.261 0.000 2.103 156 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 156 D C 1.860 178.130 176.300 -0.049 0.000 0.978 156 D CA 0.784 54.621 54.000 -0.272 0.000 0.829 156 D CB -0.320 40.028 40.800 -0.752 0.000 0.981 156 D HN 0.310 nan 8.370 nan 0.000 0.464 157 Y N 0.889 121.087 120.300 -0.170 0.000 2.200 157 Y HA -0.051 4.499 4.550 -0.000 0.000 0.290 157 Y C 2.191 178.055 175.900 -0.059 0.000 1.137 157 Y CA 0.758 58.803 58.100 -0.092 0.000 1.163 157 Y CB -0.704 37.688 38.460 -0.112 0.000 0.988 157 Y HN -0.065 nan 8.280 nan 0.000 0.518 158 V N 0.622 120.448 119.914 -0.147 0.000 2.250 158 V HA -0.348 3.772 4.120 -0.000 0.000 0.250 158 V C 2.098 178.134 176.094 -0.096 0.000 1.060 158 V CA 2.182 64.384 62.300 -0.164 0.000 1.030 158 V CB -1.498 30.270 31.823 -0.092 0.000 0.643 158 V HN 0.518 nan 8.190 nan 0.000 0.445 159 A N -1.317 121.473 122.820 -0.051 0.000 2.734 159 A HA 0.676 4.996 4.320 -0.000 0.000 0.279 159 A C 0.813 178.397 177.584 0.000 0.000 1.386 159 A CA 0.679 52.703 52.037 -0.022 0.000 0.987 159 A CB -0.317 18.672 19.000 -0.018 0.000 1.041 159 A HN 0.807 nan 8.150 nan 0.000 0.569 160 A N -0.476 122.347 122.820 0.005 0.000 2.869 160 A HA 0.513 4.833 4.320 -0.000 0.000 0.197 160 A C 0.092 177.713 177.584 0.061 0.000 0.953 160 A CA 0.387 52.455 52.037 0.052 0.000 1.218 160 A CB -0.443 18.621 19.000 0.107 0.000 1.249 160 A HN 0.522 nan 8.150 nan 0.000 0.512 161 N N -1.873 116.822 118.700 -0.008 0.000 2.495 161 N HA -0.028 4.712 4.740 -0.000 0.000 0.313 161 N C 1.091 176.576 175.510 -0.043 0.000 0.827 161 N CA 1.109 54.143 53.050 -0.026 0.000 1.191 161 N CB -0.264 38.153 38.487 -0.117 0.000 2.383 161 N HN 0.176 nan 8.380 nan 0.000 1.206 162 M N 0.111 119.669 119.600 -0.070 0.000 2.940 162 M HA 0.253 4.732 4.480 -0.000 0.000 0.248 162 M C 1.929 178.221 176.300 -0.013 0.000 1.379 162 M CA 0.521 55.799 55.300 -0.036 0.000 1.262 162 M CB -0.279 32.293 32.600 -0.046 0.000 1.201 162 M HN 0.070 nan 8.290 nan 0.000 0.553 163 K N 1.252 121.643 120.400 -0.015 0.000 2.063 163 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 163 K C 1.342 177.949 176.600 0.012 0.000 1.048 163 K CA 2.326 58.617 56.287 0.007 0.000 0.928 163 K CB -0.117 32.389 32.500 0.009 0.000 0.713 163 K HN 0.112 nan 8.250 nan 0.000 0.442 164 D N -0.250 120.153 120.400 0.006 0.000 2.123 164 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 164 D C 1.719 178.025 176.300 0.009 0.000 0.992 164 D CA 1.578 55.583 54.000 0.008 0.000 0.833 164 D CB -0.085 40.718 40.800 0.005 0.000 0.954 164 D HN 0.425 nan 8.370 nan 0.000 0.455 165 A N 0.110 122.935 122.820 0.008 0.000 1.898 165 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 165 A C 1.994 179.588 177.584 0.016 0.000 1.181 165 A CA 0.877 52.920 52.037 0.010 0.000 0.620 165 A CB -0.494 18.511 19.000 0.009 0.000 0.819 165 A HN 0.151 nan 8.150 nan 0.000 0.442 166 I N 1.387 121.969 120.570 0.020 0.000 2.076 166 I HA -0.248 3.921 4.170 -0.000 0.000 0.237 166 I C 2.928 179.064 176.117 0.032 0.000 1.059 166 I CA 2.026 63.343 61.300 0.028 0.000 1.317 166 I CB -1.720 36.302 38.000 0.036 0.000 1.037 166 I HN 0.507 nan 8.210 nan 0.000 0.398 167 S N 0.918 116.638 115.700 0.033 0.000 2.389 167 S HA -0.335 4.135 4.470 -0.000 0.000 0.231 167 S C 2.189 176.804 174.600 0.024 0.000 1.052 167 S CA 1.906 60.125 58.200 0.033 0.000 1.053 167 S CB -0.775 62.442 63.200 0.028 0.000 0.886 167 S HN 0.446 nan 8.310 nan 0.000 0.456 168 R N 1.087 121.598 120.500 0.018 0.000 2.056 168 R HA 0.043 4.383 4.340 -0.000 0.000 0.227 168 R C 0.549 176.858 176.300 0.014 0.000 1.149 168 R CA 1.274 57.382 56.100 0.013 0.000 0.937 168 R CB -0.968 29.338 30.300 0.010 0.000 0.835 168 R HN 0.363 nan 8.270 nan 0.000 0.430 169 T N 1.675 116.238 114.554 0.016 0.000 2.828 169 T HA -0.147 4.203 4.350 -0.000 0.000 0.282 169 T C 0.020 174.732 174.700 0.019 0.000 1.031 169 T CA 1.182 63.292 62.100 0.017 0.000 1.136 169 T CB 0.061 68.941 68.868 0.019 0.000 1.057 169 T HN 0.700 nan 8.240 nan 0.000 0.499 170 S N 2.077 117.787 115.700 0.016 0.000 3.280 170 S HA -0.170 4.300 4.470 -0.000 0.000 0.349 170 S C 0.981 175.592 174.600 0.019 0.000 0.936 170 S CA 0.692 58.901 58.200 0.017 0.000 1.301 170 S CB -2.167 61.044 63.200 0.019 0.000 0.907 170 S HN 2.313 nan 8.310 nan 0.000 0.516 171 G N -0.123 108.686 108.800 0.015 0.000 2.395 171 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.292 171 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.292 171 G C 0.032 174.945 174.900 0.020 0.000 0.953 171 G CA -0.064 45.044 45.100 0.013 0.000 1.207 171 G HN 1.687 nan 8.290 nan 0.000 0.503 172 V N 1.046 120.975 119.914 0.026 0.000 2.368 172 V HA 0.480 4.600 4.120 -0.000 0.000 0.266 172 V C 1.951 178.063 176.094 0.030 0.000 1.045 172 V CA 0.441 62.762 62.300 0.036 0.000 0.899 172 V CB 0.745 32.596 31.823 0.047 0.000 1.006 172 V HN 0.619 nan 8.190 nan 0.000 0.470 173 G N 5.092 113.908 108.800 0.027 0.000 2.553 173 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 173 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 173 G C 0.282 175.196 174.900 0.024 0.000 1.195 173 G CA 1.348 46.459 45.100 0.018 0.000 0.779 173 G HN 0.908 nan 8.290 nan 0.000 0.577 174 D N -2.805 117.619 120.400 0.039 0.000 2.717 174 D HA 0.454 5.093 4.640 -0.000 0.000 0.223 174 D C -1.064 175.286 176.300 0.083 0.000 1.240 174 D CA -0.837 53.192 54.000 0.047 0.000 0.801 174 D CB 1.731 42.552 40.800 0.036 0.000 1.556 174 D HN 0.087 nan 8.370 nan 0.000 0.462 175 V N 0.933 120.896 119.914 0.081 0.000 2.617 175 V HA 0.527 4.647 4.120 -0.000 0.000 0.298 175 V C -0.154 176.010 176.094 0.118 0.000 1.048 175 V CA -0.408 61.962 62.300 0.117 0.000 0.964 175 V CB 1.495 33.370 31.823 0.087 0.000 1.004 175 V HN 0.663 nan 8.190 nan 0.000 0.466 176 Q N 3.205 123.120 119.800 0.191 0.000 2.235 176 Q HA 0.526 4.866 4.340 -0.000 0.000 0.256 176 Q C -1.351 174.702 176.000 0.088 0.000 0.951 176 Q CA -0.343 55.518 55.803 0.097 0.000 0.890 176 Q CB 1.632 30.476 28.738 0.178 0.000 1.279 176 Q HN 0.602 nan 8.270 nan 0.000 0.444 177 L N 4.793 125.956 121.223 -0.099 0.000 2.356 177 L HA 0.492 4.832 4.340 -0.000 0.000 0.277 177 L C -1.382 175.400 176.870 -0.148 0.000 0.996 177 L CA -0.519 54.320 54.840 -0.001 0.000 0.822 177 L CB 0.859 42.899 42.059 -0.033 0.000 1.256 177 L HN 0.760 nan 8.230 nan 0.000 0.413 178 F N 4.942 124.865 119.950 -0.045 0.000 2.508 178 F HA 0.586 5.113 4.527 -0.000 0.000 0.329 178 F C 0.970 176.728 175.800 -0.071 0.000 1.198 178 F CA 0.160 58.136 58.000 -0.040 0.000 1.268 178 F CB 0.579 39.618 39.000 0.065 0.000 1.584 178 F HN 0.690 nan 8.300 nan 0.000 0.570 179 G N -0.242 108.542 108.800 -0.027 0.000 2.480 179 G HA2 0.304 4.264 3.960 -0.000 0.000 0.109 179 G HA3 0.304 4.264 3.960 -0.000 0.000 0.109 179 G C -1.168 173.665 174.900 -0.111 0.000 1.172 179 G CA -0.226 44.837 45.100 -0.062 0.000 1.091 179 G HN 0.362 nan 8.290 nan 0.000 0.464 180 S N -0.889 114.739 115.700 -0.121 0.000 2.543 180 S HA 0.544 5.014 4.470 -0.000 0.000 0.274 180 S C -0.711 173.826 174.600 -0.104 0.000 1.149 180 S CA 0.238 58.368 58.200 -0.117 0.000 0.866 180 S CB 1.609 64.713 63.200 -0.160 0.000 1.111 180 S HN 0.991 nan 8.310 nan 0.000 0.457 181 Q N 2.386 122.158 119.800 -0.048 0.000 2.392 181 Q HA 0.244 4.584 4.340 -0.000 0.000 0.262 181 Q C -0.932 175.108 176.000 0.066 0.000 1.003 181 Q CA -0.056 55.738 55.803 -0.014 0.000 0.888 181 Q CB 0.291 29.047 28.738 0.030 0.000 1.260 181 Q HN 0.659 nan 8.270 nan 0.000 0.435 182 Y N 0.982 121.302 120.300 0.034 0.000 2.459 182 Y HA 0.316 4.866 4.550 -0.000 0.000 0.349 182 Y C 0.172 176.132 175.900 0.100 0.000 1.266 182 Y CA 0.234 58.366 58.100 0.054 0.000 1.483 182 Y CB 0.847 39.352 38.460 0.074 0.000 1.362 182 Y HN 0.718 nan 8.280 nan 0.000 0.628 183 A N 2.556 125.554 122.820 0.296 0.000 2.565 183 A HA 0.445 4.765 4.320 -0.000 0.000 0.298 183 A C -1.142 176.417 177.584 -0.042 0.000 1.062 183 A CA -0.951 51.211 52.037 0.208 0.000 0.723 183 A CB 0.775 19.922 19.000 0.246 0.000 1.282 183 A HN 0.653 nan 8.150 nan 0.000 0.400 184 M N 2.165 121.571 119.600 -0.324 0.000 2.720 184 M HA 0.269 4.749 4.480 -0.000 0.000 0.328 184 M C 0.207 176.141 176.300 -0.610 0.000 1.682 184 M CA 0.454 55.264 55.300 -0.816 0.000 1.381 184 M CB -0.798 30.693 32.600 -1.848 0.000 1.868 184 M HN 0.569 nan 8.290 nan 0.000 0.459 185 R N 4.324 124.543 120.500 -0.469 0.000 2.404 185 R HA 0.668 5.008 4.340 -0.000 0.000 0.291 185 R C -1.231 174.615 176.300 -0.756 0.000 1.025 185 R CA -0.061 55.696 56.100 -0.571 0.000 0.991 185 R CB 0.652 30.662 30.300 -0.483 0.000 1.053 185 R HN 0.783 nan 8.270 nan 0.000 0.479 186 I N 3.445 123.498 120.570 -0.863 0.000 2.478 186 I HA 0.273 4.443 4.170 -0.000 0.000 0.287 186 I C -0.968 174.785 176.117 -0.607 0.000 1.042 186 I CA -0.488 60.446 61.300 -0.611 0.000 1.067 186 I CB 1.668 39.474 38.000 -0.324 0.000 1.233 186 I HN 0.570 nan 8.210 nan 0.000 0.431 187 W N 7.255 128.531 121.300 -0.039 0.000 2.296 187 W HA 0.495 5.155 4.660 -0.000 0.000 0.333 187 W C -0.105 176.386 176.519 -0.047 0.000 0.931 187 W CA -0.799 56.523 57.345 -0.039 0.000 1.538 187 W CB 0.528 29.956 29.460 -0.053 0.000 1.417 187 W HN 0.223 nan 8.180 nan 0.000 0.380 188 M N 3.331 123.024 119.600 0.154 0.000 2.390 188 M HA -0.054 4.426 4.480 -0.000 0.000 0.353 188 M C 0.640 176.940 176.300 -0.000 0.000 1.623 188 M CA 0.667 56.029 55.300 0.103 0.000 1.065 188 M CB 0.013 32.723 32.600 0.184 0.000 2.025 188 M HN 0.260 nan 8.290 nan 0.000 0.461 189 N N 5.376 123.987 118.700 -0.149 0.000 2.430 189 N HA 0.201 4.941 4.740 -0.000 0.000 0.265 189 N C -2.057 173.180 175.510 -0.456 0.000 1.100 189 N CA -1.701 51.084 53.050 -0.442 0.000 0.961 189 N CB 1.392 39.687 38.487 -0.320 0.000 1.075 189 N HN 0.283 nan 8.380 nan 0.000 0.478 190 P HA 0.066 nan 4.420 nan 0.000 0.221 190 P C 0.671 177.791 177.300 -0.300 0.000 1.155 190 P CA 0.679 63.343 63.100 -0.727 0.000 0.812 190 P CB 0.554 31.341 31.700 -1.521 0.000 0.801 191 N N -0.049 118.493 118.700 -0.262 0.000 2.188 191 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 191 N C 1.563 177.091 175.510 0.031 0.000 1.018 191 N CA 1.009 54.041 53.050 -0.030 0.000 0.858 191 N CB -0.579 37.918 38.487 0.018 0.000 0.989 191 N HN 0.207 nan 8.380 nan 0.000 0.426 192 E N 0.560 120.757 120.200 -0.006 0.000 2.347 192 E HA 0.007 4.357 4.350 -0.000 0.000 0.196 192 E C 1.851 178.546 176.600 0.157 0.000 1.008 192 E CA 0.070 56.535 56.400 0.107 0.000 0.852 192 E CB 0.134 29.850 29.700 0.028 0.000 0.783 192 E HN 0.379 nan 8.360 nan 0.000 0.505 193 L N 0.648 121.920 121.223 0.081 0.000 2.131 193 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 193 L C 2.351 179.341 176.870 0.199 0.000 1.087 193 L CA 0.770 55.687 54.840 0.130 0.000 0.767 193 L CB -0.362 41.775 42.059 0.130 0.000 0.917 193 L HN 0.187 nan 8.230 nan 0.000 0.441 194 N N 0.956 119.769 118.700 0.188 0.000 2.216 194 N HA -0.200 4.540 4.740 -0.000 0.000 0.183 194 N C 1.776 177.338 175.510 0.087 0.000 1.017 194 N CA 0.812 53.959 53.050 0.162 0.000 0.861 194 N CB 0.182 38.783 38.487 0.190 0.000 0.986 194 N HN 0.310 nan 8.380 nan 0.000 0.428 195 K N -0.784 119.676 120.400 0.101 0.000 2.487 195 K HA -0.017 4.303 4.320 -0.000 0.000 0.192 195 K C 0.236 176.717 176.600 -0.197 0.000 1.027 195 K CA 0.614 56.872 56.287 -0.047 0.000 1.054 195 K CB 0.043 32.493 32.500 -0.083 0.000 0.824 195 K HN 0.152 nan 8.250 nan 0.000 0.510 196 F N 1.117 121.069 119.950 0.004 0.000 2.724 196 F HA 0.253 4.780 4.527 -0.000 0.000 0.306 196 F C -0.545 175.264 175.800 0.015 0.000 1.100 196 F CA -0.336 57.668 58.000 0.007 0.000 1.255 196 F CB 0.357 39.363 39.000 0.010 0.000 1.072 196 F HN -0.005 nan 8.300 nan 0.000 0.589 197 Q N 1.262 121.172 119.800 0.183 0.000 2.330 197 Q HA -0.055 4.285 4.340 -0.000 0.000 0.321 197 Q C -1.191 174.894 176.000 0.141 0.000 1.300 197 Q CA 0.226 56.105 55.803 0.126 0.000 0.765 197 Q CB -1.486 27.299 28.738 0.078 0.000 0.998 197 Q HN 0.362 nan 8.270 nan 0.000 0.329 198 L N 0.026 121.343 121.223 0.156 0.000 2.720 198 L HA 0.754 5.094 4.340 -0.000 0.000 0.261 198 L C -0.143 176.830 176.870 0.170 0.000 1.046 198 L CA -0.708 54.217 54.840 0.141 0.000 0.886 198 L CB 2.584 44.712 42.059 0.115 0.000 1.493 198 L HN 0.488 nan 8.230 nan 0.000 0.407 199 T N -3.122 111.523 114.554 0.151 0.000 2.888 199 T HA 0.468 4.818 4.350 -0.000 0.000 0.288 199 T C -2.529 172.260 174.700 0.149 0.000 1.063 199 T CA -1.649 60.559 62.100 0.181 0.000 1.010 199 T CB 1.873 70.837 68.868 0.160 0.000 1.214 199 T HN 0.298 nan 8.240 nan 0.000 0.533 200 P HA 0.121 nan 4.420 nan 0.000 0.237 200 P C 1.264 178.604 177.300 0.066 0.000 1.178 200 P CA 0.083 63.244 63.100 0.101 0.000 0.766 200 P CB -0.170 31.571 31.700 0.069 0.000 0.876 201 V N -0.212 119.744 119.914 0.070 0.000 2.871 201 V HA -0.124 3.996 4.120 -0.000 0.000 0.256 201 V C 1.824 177.943 176.094 0.042 0.000 1.082 201 V CA 1.613 63.944 62.300 0.052 0.000 1.105 201 V CB -0.886 30.969 31.823 0.053 0.000 0.713 201 V HN 0.168 nan 8.190 nan 0.000 0.473 202 D N 0.567 120.996 120.400 0.048 0.000 2.213 202 D HA -0.048 4.592 4.640 -0.000 0.000 0.205 202 D C 2.166 178.478 176.300 0.019 0.000 0.961 202 D CA 1.214 55.235 54.000 0.034 0.000 0.853 202 D CB 0.387 41.212 40.800 0.042 0.000 0.967 202 D HN 0.448 nan 8.370 nan 0.000 0.496 203 V N 1.222 121.150 119.914 0.023 0.000 2.307 203 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 203 V C 2.576 178.673 176.094 0.005 0.000 1.045 203 V CA 0.957 63.263 62.300 0.009 0.000 1.024 203 V CB -0.598 31.233 31.823 0.014 0.000 0.651 203 V HN 0.087 nan 8.190 nan 0.000 0.449 204 I N 0.877 121.454 120.570 0.012 0.000 2.163 204 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 204 I C 2.626 178.744 176.117 0.001 0.000 1.085 204 I CA 2.117 63.421 61.300 0.007 0.000 1.347 204 I CB -0.579 37.431 38.000 0.017 0.000 1.044 204 I HN 0.319 nan 8.210 nan 0.000 0.408 205 T N 0.462 115.019 114.554 0.005 0.000 2.915 205 T HA -0.052 4.298 4.350 -0.000 0.000 0.269 205 T C 1.939 176.631 174.700 -0.013 0.000 1.071 205 T CA 1.137 63.237 62.100 -0.000 0.000 1.132 205 T CB -0.189 68.682 68.868 0.006 0.000 0.878 205 T HN 0.461 nan 8.240 nan 0.000 0.479 206 A N 1.231 124.041 122.820 -0.017 0.000 2.014 206 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 206 A C 2.169 179.721 177.584 -0.053 0.000 1.163 206 A CA 0.824 52.841 52.037 -0.034 0.000 0.652 206 A CB -0.544 18.434 19.000 -0.036 0.000 0.808 206 A HN 0.544 nan 8.150 nan 0.000 0.449 207 I N -1.025 119.522 120.570 -0.038 0.000 2.716 207 I HA -0.060 4.110 4.170 -0.000 0.000 0.259 207 I C 0.599 176.691 176.117 -0.041 0.000 1.172 207 I CA 0.674 61.949 61.300 -0.042 0.000 1.478 207 I CB -0.237 37.775 38.000 0.019 0.000 1.104 207 I HN 0.128 nan 8.210 nan 0.000 0.439 208 K N 1.917 122.300 120.400 -0.028 0.000 3.165 208 K HA 0.450 4.770 4.320 -0.000 0.000 0.259 208 K C 0.353 176.938 176.600 -0.025 0.000 1.282 208 K CA 0.161 56.434 56.287 -0.022 0.000 1.259 208 K CB 0.775 33.269 32.500 -0.010 0.000 1.546 208 K HN 0.303 nan 8.250 nan 0.000 0.384 209 A N -0.290 122.507 122.820 -0.038 0.000 2.511 209 A HA -0.048 4.272 4.320 -0.000 0.000 0.201 209 A C 1.528 179.079 177.584 -0.055 0.000 1.628 209 A CA -0.204 51.809 52.037 -0.039 0.000 1.578 209 A CB -0.047 18.932 19.000 -0.034 0.000 1.443 209 A HN 0.278 nan 8.150 nan 0.000 0.514 210 Q N -0.259 119.493 119.800 -0.080 0.000 2.204 210 Q HA 0.057 4.397 4.340 -0.000 0.000 0.198 210 Q C 0.389 176.305 176.000 -0.141 0.000 0.946 210 Q CA 1.014 56.752 55.803 -0.109 0.000 0.859 210 Q CB 0.149 28.807 28.738 -0.133 0.000 0.946 210 Q HN 0.530 nan 8.270 nan 0.000 0.474 211 N N 0.630 119.235 118.700 -0.158 0.000 2.918 211 N HA 0.369 5.109 4.740 -0.000 0.000 0.247 211 N C -1.714 173.760 175.510 -0.060 0.000 1.117 211 N CA -0.068 52.885 53.050 -0.161 0.000 1.005 211 N CB 0.604 38.955 38.487 -0.226 0.000 1.297 211 N HN 0.196 nan 8.380 nan 0.000 0.513 212 A N 1.626 124.418 122.820 -0.047 0.000 2.597 212 A HA 0.408 4.728 4.320 -0.000 0.000 0.292 212 A C -1.376 176.197 177.584 -0.018 0.000 1.057 212 A CA -0.831 51.194 52.037 -0.020 0.000 0.674 212 A CB 1.151 20.139 19.000 -0.021 0.000 1.278 212 A HN 0.414 nan 8.150 nan 0.000 0.416 213 Q N 0.273 120.068 119.800 -0.008 0.000 2.235 213 Q HA 0.666 5.006 4.340 -0.000 0.000 0.256 213 Q C -1.001 174.994 176.000 -0.009 0.000 0.951 213 Q CA -0.706 55.091 55.803 -0.009 0.000 0.890 213 Q CB 2.289 31.024 28.738 -0.005 0.000 1.279 213 Q HN 0.581 nan 8.270 nan 0.000 0.444 214 V N 0.542 120.450 119.914 -0.010 0.000 2.876 214 V HA 0.500 4.620 4.120 -0.000 0.000 0.312 214 V C -0.641 175.448 176.094 -0.008 0.000 1.085 214 V CA -1.032 61.263 62.300 -0.009 0.000 0.945 214 V CB 1.915 33.732 31.823 -0.011 0.000 1.017 214 V HN 0.860 nan 8.190 nan 0.000 0.428 215 A N 2.811 125.627 122.820 -0.006 0.000 2.671 215 A HA 0.738 5.058 4.320 -0.000 0.000 0.306 215 A C 0.436 178.017 177.584 -0.006 0.000 1.473 215 A CA 0.113 52.146 52.037 -0.006 0.000 1.155 215 A CB -0.394 18.603 19.000 -0.004 0.000 1.123 215 A HN 1.290 nan 8.150 nan 0.000 0.545 216 A N 2.519 125.335 122.820 -0.007 0.000 2.301 216 A HA 0.684 5.004 4.320 -0.000 0.000 0.312 216 A C 1.115 178.695 177.584 -0.006 0.000 1.182 216 A CA 0.059 52.092 52.037 -0.007 0.000 0.826 216 A CB 0.471 19.466 19.000 -0.008 0.000 1.134 216 A HN 1.141 nan 8.150 nan 0.000 0.501 217 G N 0.883 109.680 108.800 -0.005 0.000 2.611 217 G HA2 0.395 4.355 3.960 -0.000 0.000 0.147 217 G HA3 0.395 4.355 3.960 -0.000 0.000 0.147 217 G C 0.139 175.037 174.900 -0.005 0.000 1.798 217 G CA 0.913 46.010 45.100 -0.005 0.000 0.973 217 G HN 1.232 nan 8.290 nan 0.000 0.416 218 Q N -1.564 118.234 119.800 -0.004 0.000 2.503 218 Q HA 0.447 4.787 4.340 -0.000 0.000 0.268 218 Q C -1.296 174.702 176.000 -0.004 0.000 0.982 218 Q CA -0.881 54.920 55.803 -0.004 0.000 0.907 218 Q CB 1.008 29.744 28.738 -0.004 0.000 1.467 218 Q HN 0.377 nan 8.270 nan 0.000 0.394 219 L N 1.305 122.525 121.223 -0.004 0.000 2.461 219 L HA 0.507 4.847 4.340 -0.000 0.000 0.272 219 L C 1.049 177.918 176.870 -0.003 0.000 1.197 219 L CA 0.660 55.498 54.840 -0.003 0.000 0.836 219 L CB 0.079 42.136 42.059 -0.003 0.000 1.105 219 L HN 1.093 nan 8.230 nan 0.000 0.477 220 G N 2.195 110.994 108.800 -0.003 0.000 2.353 220 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.294 220 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.294 220 G C 0.486 175.385 174.900 -0.003 0.000 1.077 220 G CA -0.088 45.010 45.100 -0.003 0.000 1.098 220 G HN 1.124 nan 8.290 nan 0.000 0.511 221 G N -0.470 108.328 108.800 -0.003 0.000 2.732 221 G HA2 0.416 4.375 3.960 -0.000 0.000 0.244 221 G HA3 0.416 4.375 3.960 -0.000 0.000 0.244 221 G C 1.281 176.180 174.900 -0.003 0.000 1.226 221 G CA 0.745 45.843 45.100 -0.003 0.000 0.860 221 G HN 0.604 nan 8.290 nan 0.000 0.583 222 T N 1.247 115.800 114.554 -0.003 0.000 2.635 222 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 222 T C -1.087 173.612 174.700 -0.002 0.000 1.040 222 T CA 1.651 63.750 62.100 -0.002 0.000 1.156 222 T CB -0.621 68.245 68.868 -0.002 0.000 0.863 222 T HN 0.478 nan 8.240 nan 0.000 0.430 223 P HA 0.421 nan 4.420 nan 0.000 0.266 223 P C -2.509 174.790 177.300 -0.002 0.000 1.567 223 P CA -1.457 61.641 63.100 -0.002 0.000 1.077 223 P CB 1.231 32.930 31.700 -0.002 0.000 1.396 224 P HA 0.349 nan 4.420 nan 0.000 0.325 224 P C -0.852 176.447 177.300 -0.002 0.000 1.298 224 P CA -0.697 62.402 63.100 -0.002 0.000 0.771 224 P CB 0.776 32.474 31.700 -0.002 0.000 1.389 225 V N -2.056 117.857 119.914 -0.002 0.000 2.394 225 V HA 0.390 4.510 4.120 -0.000 0.000 0.282 225 V C 0.068 176.161 176.094 -0.002 0.000 1.031 225 V CA -1.175 61.123 62.300 -0.002 0.000 0.881 225 V CB 0.285 32.107 31.823 -0.002 0.000 0.982 225 V HN 0.307 nan 8.190 nan 0.000 0.451 226 K N 3.770 124.169 120.400 -0.001 0.000 2.405 226 K HA 0.406 4.726 4.320 -0.000 0.000 0.276 226 K C 1.121 177.720 176.600 -0.001 0.000 1.099 226 K CA 1.122 57.408 56.287 -0.001 0.000 1.120 226 K CB -0.300 32.200 32.500 -0.001 0.000 0.877 226 K HN 1.366 nan 8.250 nan 0.000 0.472 227 G N 1.728 110.527 108.800 -0.001 0.000 2.159 227 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.170 227 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.170 227 G C -0.220 174.679 174.900 -0.001 0.000 1.007 227 G CA -0.428 44.671 45.100 -0.001 0.000 0.672 227 G HN 0.528 nan 8.290 nan 0.000 0.507 228 Q N -0.029 119.770 119.800 -0.001 0.000 2.352 228 Q HA 0.631 4.971 4.340 -0.000 0.000 0.260 228 Q C 1.356 177.355 176.000 -0.002 0.000 0.976 228 Q CA 0.408 56.210 55.803 -0.002 0.000 0.881 228 Q CB 1.036 29.773 28.738 -0.002 0.000 1.235 228 Q HN 0.249 nan 8.270 nan 0.000 0.419 229 Q N 1.911 121.711 119.800 -0.002 0.000 2.373 229 Q HA 0.311 4.651 4.340 -0.000 0.000 0.210 229 Q C -0.375 175.624 176.000 -0.002 0.000 0.913 229 Q CA 0.397 56.199 55.803 -0.002 0.000 0.911 229 Q CB 0.323 29.060 28.738 -0.001 0.000 1.040 229 Q HN 0.697 nan 8.270 nan 0.000 0.521 230 L N -0.728 120.493 121.223 -0.002 0.000 2.334 230 L HA 0.598 4.938 4.340 -0.000 0.000 0.272 230 L C -0.931 175.937 176.870 -0.002 0.000 1.020 230 L CA -0.585 54.254 54.840 -0.002 0.000 0.812 230 L CB 1.795 43.852 42.059 -0.002 0.000 1.264 230 L HN -0.006 nan 8.230 nan 0.000 0.439 231 N N 3.181 121.879 118.700 -0.002 0.000 2.747 231 N HA 0.563 5.302 4.740 -0.000 0.000 0.262 231 N C -1.938 173.570 175.510 -0.003 0.000 1.261 231 N CA -0.184 52.864 53.050 -0.003 0.000 0.809 231 N CB 1.742 40.228 38.487 -0.002 0.000 1.450 231 N HN 0.977 nan 8.380 nan 0.000 0.560 232 A N 1.614 124.432 122.820 -0.003 0.000 2.498 232 A HA 0.661 4.981 4.320 -0.000 0.000 0.298 232 A C -0.313 177.269 177.584 -0.004 0.000 1.075 232 A CA -0.598 51.437 52.037 -0.003 0.000 0.714 232 A CB 1.386 20.384 19.000 -0.003 0.000 1.299 232 A HN 0.545 nan 8.150 nan 0.000 0.407 233 S N 1.199 116.896 115.700 -0.004 0.000 2.545 233 S HA 0.627 5.097 4.470 -0.000 0.000 0.275 233 S C -0.036 174.561 174.600 -0.005 0.000 1.299 233 S CA -0.403 57.794 58.200 -0.005 0.000 1.048 233 S CB 0.210 63.408 63.200 -0.005 0.000 0.938 233 S HN 0.516 nan 8.310 nan 0.000 0.496 234 I N 2.920 123.487 120.570 -0.005 0.000 2.575 234 I HA 0.212 4.382 4.170 -0.000 0.000 0.285 234 I C -0.015 176.098 176.117 -0.007 0.000 1.085 234 I CA -0.614 60.682 61.300 -0.006 0.000 1.403 234 I CB 0.494 38.490 38.000 -0.006 0.000 1.409 234 I HN 0.495 nan 8.210 nan 0.000 0.557 235 I N 4.322 124.888 120.570 -0.008 0.000 2.607 235 I HA 0.600 4.770 4.170 -0.000 0.000 0.305 235 I C 0.549 176.660 176.117 -0.010 0.000 0.995 235 I CA -0.191 61.103 61.300 -0.009 0.000 1.148 235 I CB 1.320 39.315 38.000 -0.009 0.000 1.323 235 I HN 0.736 nan 8.210 nan 0.000 0.461 236 A N 4.899 127.712 122.820 -0.012 0.000 3.102 236 A HA 0.446 4.766 4.320 -0.000 0.000 0.183 236 A C -0.121 177.453 177.584 -0.017 0.000 0.985 236 A CA -0.281 51.748 52.037 -0.014 0.000 1.237 236 A CB 0.325 19.317 19.000 -0.013 0.000 1.856 236 A HN 0.639 nan 8.150 nan 0.000 0.670 237 Q N 0.071 119.859 119.800 -0.020 0.000 2.417 237 Q HA 0.482 4.822 4.340 -0.000 0.000 0.241 237 Q C -0.984 175.002 176.000 -0.022 0.000 1.008 237 Q CA 0.374 56.161 55.803 -0.026 0.000 0.901 237 Q CB 0.705 29.425 28.738 -0.030 0.000 1.259 237 Q HN 0.526 nan 8.270 nan 0.000 0.489 238 T N 0.909 115.447 114.554 -0.027 0.000 2.900 238 T HA 0.352 4.702 4.350 -0.000 0.000 0.295 238 T C -0.759 173.931 174.700 -0.017 0.000 1.044 238 T CA -0.743 61.346 62.100 -0.018 0.000 0.995 238 T CB 1.330 70.189 68.868 -0.015 0.000 1.072 238 T HN 0.349 nan 8.240 nan 0.000 0.473 239 R N 2.377 122.879 120.500 0.003 0.000 2.489 239 R HA 0.313 4.653 4.340 -0.000 0.000 0.287 239 R C 0.326 176.665 176.300 0.066 0.000 1.053 239 R CA -0.254 55.868 56.100 0.036 0.000 1.036 239 R CB 0.084 30.412 30.300 0.046 0.000 0.966 239 R HN 0.431 nan 8.270 nan 0.000 0.432 240 L N 1.940 123.221 121.223 0.096 0.000 2.474 240 L HA 0.082 4.422 4.340 -0.000 0.000 0.259 240 L C 1.052 178.109 176.870 0.310 0.000 1.232 240 L CA 0.667 55.566 54.840 0.097 0.000 0.821 240 L CB 0.854 42.810 42.059 -0.172 0.000 1.108 240 L HN 0.813 nan 8.230 nan 0.000 0.495 241 T N -1.107 113.606 114.554 0.266 0.000 3.182 241 T HA 0.113 4.463 4.350 -0.000 0.000 0.244 241 T C 0.532 175.427 174.700 0.325 0.000 0.981 241 T CA 0.054 62.306 62.100 0.255 0.000 1.182 241 T CB 0.548 69.487 68.868 0.119 0.000 1.043 241 T HN 0.661 nan 8.240 nan 0.000 0.424 242 S N 0.420 116.261 115.700 0.234 0.000 2.709 242 S HA 0.476 4.946 4.470 -0.000 0.000 0.302 242 S C 1.126 175.804 174.600 0.130 0.000 1.127 242 S CA -0.265 58.030 58.200 0.158 0.000 0.905 242 S CB 1.246 64.499 63.200 0.087 0.000 1.151 242 S HN 0.282 nan 8.310 nan 0.000 0.510 243 T N 0.544 115.116 114.554 0.030 0.000 2.555 243 T HA -0.278 4.072 4.350 -0.000 0.000 0.264 243 T C 1.613 176.341 174.700 0.046 0.000 1.083 243 T CA 2.632 64.726 62.100 -0.010 0.000 1.179 243 T CB -1.013 67.826 68.868 -0.048 0.000 0.863 243 T HN 0.801 nan 8.240 nan 0.000 0.412 244 E N 0.676 120.894 120.200 0.029 0.000 2.257 244 E HA -0.308 4.042 4.350 -0.000 0.000 0.229 244 E C 2.032 178.647 176.600 0.025 0.000 1.089 244 E CA 2.617 59.031 56.400 0.023 0.000 0.947 244 E CB -0.407 29.304 29.700 0.018 0.000 0.808 244 E HN 0.828 nan 8.360 nan 0.000 0.471 245 E N -1.046 119.178 120.200 0.039 0.000 2.152 245 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 245 E C 2.037 178.591 176.600 -0.076 0.000 0.983 245 E CA 0.844 57.234 56.400 -0.017 0.000 0.818 245 E CB -0.235 29.452 29.700 -0.022 0.000 0.758 245 E HN 0.370 nan 8.360 nan 0.000 0.467 246 F N 0.989 120.878 119.950 -0.102 0.000 2.502 246 F HA 0.020 4.547 4.527 -0.000 0.000 0.298 246 F C 2.306 178.038 175.800 -0.114 0.000 1.111 246 F CA 0.947 58.867 58.000 -0.134 0.000 1.445 246 F CB 0.014 38.888 39.000 -0.210 0.000 1.081 246 F HN 0.043 nan 8.300 nan 0.000 0.558 247 G N -0.632 108.202 108.800 0.057 0.000 2.551 247 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.216 247 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.216 247 G C 1.118 176.001 174.900 -0.028 0.000 1.137 247 G CA 0.000 45.104 45.100 0.006 0.000 0.798 247 G HN 0.209 nan 8.290 nan 0.000 0.536 248 K N 0.940 121.313 120.400 -0.045 0.000 3.101 248 K HA 0.344 4.664 4.320 -0.000 0.000 0.229 248 K C -0.443 176.106 176.600 -0.085 0.000 1.232 248 K CA -0.188 56.064 56.287 -0.058 0.000 1.210 248 K CB 0.465 32.935 32.500 -0.050 0.000 1.284 248 K HN 0.270 nan 8.250 nan 0.000 0.448 249 I N 1.310 121.824 120.570 -0.093 0.000 2.385 249 I HA 0.162 4.332 4.170 -0.000 0.000 0.294 249 I C -0.194 175.875 176.117 -0.080 0.000 0.988 249 I CA -1.279 59.956 61.300 -0.107 0.000 1.265 249 I CB 1.128 39.051 38.000 -0.129 0.000 1.388 249 I HN -0.000 nan 8.210 nan 0.000 0.480 250 L N 6.776 127.957 121.223 -0.071 0.000 2.282 250 L HA 0.265 4.605 4.340 -0.000 0.000 0.287 250 L C 0.439 177.280 176.870 -0.048 0.000 1.075 250 L CA 0.389 55.196 54.840 -0.055 0.000 0.839 250 L CB 0.387 42.420 42.059 -0.043 0.000 1.219 250 L HN 0.613 nan 8.230 nan 0.000 0.434 251 L N 3.134 124.324 121.223 -0.055 0.000 2.068 251 L HA 0.119 4.459 4.340 -0.000 0.000 0.204 251 L C 0.884 177.741 176.870 -0.021 0.000 1.076 251 L CA 0.819 55.633 54.840 -0.044 0.000 0.753 251 L CB -0.145 41.873 42.059 -0.069 0.000 0.910 251 L HN 0.595 nan 8.230 nan 0.000 0.439 252 K N -1.100 119.290 120.400 -0.018 0.000 2.578 252 K HA 0.471 4.791 4.320 -0.000 0.000 0.287 252 K C -1.783 174.831 176.600 0.024 0.000 1.010 252 K CA -0.655 55.641 56.287 0.015 0.000 0.889 252 K CB 2.281 34.809 32.500 0.046 0.000 1.514 252 K HN -0.248 nan 8.250 nan 0.000 0.424 253 V N 1.013 120.949 119.914 0.036 0.000 2.385 253 V HA 0.441 4.561 4.120 -0.000 0.000 0.277 253 V C -0.706 175.420 176.094 0.052 0.000 1.012 253 V CA -1.117 61.208 62.300 0.041 0.000 0.832 253 V CB 0.861 32.697 31.823 0.023 0.000 1.028 253 V HN 0.649 nan 8.190 nan 0.000 0.436 254 N N 3.484 122.231 118.700 0.079 0.000 2.454 254 N HA 0.148 4.888 4.740 -0.000 0.000 0.260 254 N C 1.369 176.901 175.510 0.037 0.000 1.218 254 N CA 0.364 53.454 53.050 0.067 0.000 0.904 254 N CB 1.304 39.842 38.487 0.086 0.000 1.065 254 N HN 0.880 nan 8.380 nan 0.000 0.462 255 Q N 1.557 121.372 119.800 0.024 0.000 2.346 255 Q HA -0.345 3.995 4.340 -0.000 0.000 0.224 255 Q C 0.345 176.352 176.000 0.011 0.000 1.092 255 Q CA 2.450 58.261 55.803 0.013 0.000 0.982 255 Q CB -0.892 27.849 28.738 0.005 0.000 1.085 255 Q HN 0.820 nan 8.270 nan 0.000 0.492 256 D N 0.131 120.538 120.400 0.010 0.000 2.663 256 D HA 0.162 4.802 4.640 -0.000 0.000 0.243 256 D C 0.835 177.143 176.300 0.015 0.000 1.218 256 D CA 0.456 54.461 54.000 0.009 0.000 0.846 256 D CB -0.674 40.127 40.800 0.003 0.000 1.014 256 D HN 0.652 nan 8.370 nan 0.000 0.476 257 G N 1.347 110.158 108.800 0.018 0.000 2.296 257 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.282 257 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.282 257 G C 0.361 175.277 174.900 0.027 0.000 1.014 257 G CA 0.682 45.794 45.100 0.020 0.000 0.812 257 G HN 0.731 nan 8.290 nan 0.000 0.508 258 S N -0.767 114.957 115.700 0.040 0.000 2.481 258 S HA 0.552 5.022 4.470 -0.000 0.000 0.276 258 S C 0.401 175.043 174.600 0.070 0.000 1.247 258 S CA -0.634 57.602 58.200 0.059 0.000 1.053 258 S CB 1.550 64.797 63.200 0.078 0.000 0.925 258 S HN 0.447 nan 8.310 nan 0.000 0.491 259 R N 2.812 123.341 120.500 0.050 0.000 2.248 259 R HA 0.303 4.643 4.340 -0.000 0.000 0.337 259 R C -0.786 175.526 176.300 0.019 0.000 1.085 259 R CA -0.351 55.765 56.100 0.028 0.000 0.934 259 R CB 0.394 30.699 30.300 0.007 0.000 1.034 259 R HN 0.633 nan 8.270 nan 0.000 0.465 260 V N 6.518 126.435 119.914 0.005 0.000 2.470 260 V HA 0.158 4.278 4.120 -0.000 0.000 0.276 260 V C 0.531 176.548 176.094 -0.128 0.000 1.040 260 V CA -0.126 62.107 62.300 -0.112 0.000 1.008 260 V CB 0.518 32.242 31.823 -0.165 0.000 0.990 260 V HN 0.579 nan 8.190 nan 0.000 0.477 261 L N 4.138 125.268 121.223 -0.154 0.000 2.313 261 L HA 0.439 4.779 4.340 -0.000 0.000 0.268 261 L C 1.053 177.840 176.870 -0.138 0.000 1.010 261 L CA -0.853 53.918 54.840 -0.115 0.000 0.814 261 L CB 1.125 43.137 42.059 -0.078 0.000 1.304 261 L HN 0.433 nan 8.230 nan 0.000 0.441 262 L N 1.289 122.455 121.223 -0.095 0.000 2.141 262 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 262 L C 2.583 179.410 176.870 -0.072 0.000 1.094 262 L CA 1.651 56.444 54.840 -0.078 0.000 0.763 262 L CB -0.982 41.052 42.059 -0.041 0.000 0.908 262 L HN 0.719 nan 8.230 nan 0.000 0.437 263 R N -0.462 120.001 120.500 -0.061 0.000 2.081 263 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 263 R C 1.629 177.892 176.300 -0.062 0.000 1.131 263 R CA 1.845 57.917 56.100 -0.046 0.000 0.960 263 R CB -0.557 29.725 30.300 -0.031 0.000 0.856 263 R HN 0.403 nan 8.270 nan 0.000 0.436 264 D N 0.679 121.019 120.400 -0.101 0.000 2.117 264 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 264 D C 1.842 178.051 176.300 -0.151 0.000 0.987 264 D CA 1.735 55.661 54.000 -0.124 0.000 0.829 264 D CB 0.008 40.690 40.800 -0.196 0.000 0.961 264 D HN 0.346 nan 8.370 nan 0.000 0.460 265 V N -2.135 117.660 119.914 -0.198 0.000 3.406 265 V HA 0.519 4.639 4.120 -0.000 0.000 0.263 265 V C 0.476 176.516 176.094 -0.091 0.000 1.172 265 V CA 0.628 62.826 62.300 -0.169 0.000 1.140 265 V CB -0.203 31.500 31.823 -0.201 0.000 0.784 265 V HN 0.115 nan 8.190 nan 0.000 0.467 266 A N -0.081 122.700 122.820 -0.064 0.000 2.577 266 A HA 0.591 4.911 4.320 -0.000 0.000 0.297 266 A C -0.593 176.994 177.584 0.004 0.000 1.060 266 A CA -0.731 51.292 52.037 -0.023 0.000 0.697 266 A CB 1.220 20.209 19.000 -0.018 0.000 1.281 266 A HN 0.333 nan 8.150 nan 0.000 0.402 267 K N 1.077 121.516 120.400 0.065 0.000 2.319 267 K HA 0.572 4.892 4.320 -0.000 0.000 0.265 267 K C -0.967 175.670 176.600 0.062 0.000 1.000 267 K CA 0.126 56.475 56.287 0.104 0.000 0.943 267 K CB 0.281 32.909 32.500 0.213 0.000 0.950 267 K HN 0.549 nan 8.250 nan 0.000 0.485 268 I N 4.392 124.979 120.570 0.029 0.000 2.517 268 I HA 0.156 4.326 4.170 -0.000 0.000 0.280 268 I C -0.790 175.305 176.117 -0.038 0.000 1.061 268 I CA -0.555 60.706 61.300 -0.065 0.000 1.091 268 I CB 1.549 39.504 38.000 -0.075 0.000 1.205 268 I HN 0.735 nan 8.210 nan 0.000 0.459 269 E N 6.400 126.582 120.200 -0.030 0.000 2.288 269 E HA 0.449 4.799 4.350 -0.000 0.000 0.268 269 E C -1.531 175.013 176.600 -0.093 0.000 0.885 269 E CA -1.024 55.377 56.400 0.002 0.000 0.767 269 E CB 2.994 32.783 29.700 0.149 0.000 1.220 269 E HN 0.326 nan 8.360 nan 0.000 0.427 270 L N 3.173 124.300 121.223 -0.159 0.000 2.363 270 L HA 0.501 4.841 4.340 -0.000 0.000 0.286 270 L C -0.144 176.538 176.870 -0.314 0.000 1.106 270 L CA 0.637 55.279 54.840 -0.329 0.000 0.859 270 L CB 0.225 42.010 42.059 -0.456 0.000 1.223 270 L HN 0.751 nan 8.230 nan 0.000 0.446 271 G N 2.619 111.381 108.800 -0.064 0.000 2.949 271 G HA2 0.591 4.551 3.960 -0.000 0.000 0.285 271 G HA3 0.591 4.551 3.960 -0.000 0.000 0.285 271 G C -0.407 174.692 174.900 0.332 0.000 1.395 271 G CA -0.420 44.854 45.100 0.289 0.000 0.901 271 G HN 0.766 nan 8.290 nan 0.000 0.519 272 G N -1.132 107.746 108.800 0.130 0.000 2.554 272 G HA2 0.350 4.310 3.960 -0.000 0.000 0.238 272 G HA3 0.350 4.310 3.960 -0.000 0.000 0.238 272 G C 0.761 175.493 174.900 -0.281 0.000 1.259 272 G CA 0.582 45.531 45.100 -0.253 0.000 0.843 272 G HN 0.786 nan 8.290 nan 0.000 0.582 273 E N -0.009 120.118 120.200 -0.121 0.000 2.371 273 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 273 E C 0.412 176.891 176.600 -0.202 0.000 1.012 273 E CA 0.191 56.580 56.400 -0.019 0.000 0.860 273 E CB 0.178 30.002 29.700 0.207 0.000 0.811 273 E HN 0.421 nan 8.360 nan 0.000 0.502 274 N N -0.371 118.156 118.700 -0.288 0.000 2.542 274 N HA 0.040 4.780 4.740 -0.000 0.000 0.288 274 N C -1.577 173.788 175.510 -0.242 0.000 1.115 274 N CA -0.436 52.497 53.050 -0.195 0.000 0.924 274 N CB 1.050 39.455 38.487 -0.136 0.000 1.526 274 N HN 0.004 nan 8.380 nan 0.000 0.515 275 Y N 1.455 121.754 120.300 -0.001 0.000 2.683 275 Y HA 0.271 4.821 4.550 -0.000 0.000 0.297 275 Y C 1.290 177.176 175.900 -0.022 0.000 1.147 275 Y CA -0.498 57.605 58.100 0.004 0.000 1.274 275 Y CB 0.318 38.796 38.460 0.029 0.000 1.143 275 Y HN 0.469 nan 8.280 nan 0.000 0.527 276 D N 0.761 121.196 120.400 0.058 0.000 2.234 276 D HA 0.037 4.676 4.640 -0.000 0.000 0.205 276 D C 0.410 176.704 176.300 -0.011 0.000 0.962 276 D CA 1.066 55.076 54.000 0.017 0.000 0.855 276 D CB 0.461 41.248 40.800 -0.021 0.000 0.951 276 D HN 0.387 nan 8.370 nan 0.000 0.500 277 I N -1.178 119.368 120.570 -0.040 0.000 2.730 277 I HA 0.473 4.643 4.170 -0.000 0.000 0.298 277 I C -0.766 175.326 176.117 -0.042 0.000 1.089 277 I CA -1.377 59.890 61.300 -0.055 0.000 1.041 277 I CB 2.272 40.199 38.000 -0.122 0.000 1.235 277 I HN -0.206 nan 8.210 nan 0.000 0.423 278 I N 1.287 121.835 120.570 -0.037 0.000 2.692 278 I HA 0.957 5.126 4.170 -0.000 0.000 0.293 278 I C -0.799 175.271 176.117 -0.079 0.000 1.200 278 I CA -1.091 60.185 61.300 -0.039 0.000 1.036 278 I CB 2.104 40.089 38.000 -0.025 0.000 1.258 278 I HN 0.836 nan 8.210 nan 0.000 0.421 279 A N 3.788 126.544 122.820 -0.107 0.000 2.342 279 A HA 0.794 5.114 4.320 -0.000 0.000 0.323 279 A C -0.687 176.746 177.584 -0.252 0.000 1.125 279 A CA -0.479 51.402 52.037 -0.261 0.000 0.785 279 A CB 1.165 19.965 19.000 -0.334 0.000 1.221 279 A HN 0.812 nan 8.150 nan 0.000 0.463 280 E N 1.617 121.633 120.200 -0.306 0.000 2.437 280 E HA 0.208 4.558 4.350 -0.000 0.000 0.238 280 E C -1.457 175.049 176.600 -0.157 0.000 0.969 280 E CA -0.327 55.969 56.400 -0.174 0.000 0.759 280 E CB 1.182 30.809 29.700 -0.121 0.000 1.283 280 E HN 0.544 nan 8.360 nan 0.000 0.416 281 F N 3.833 123.646 119.950 -0.228 0.000 2.502 281 F HA 0.061 4.588 4.527 -0.000 0.000 0.361 281 F C 0.017 175.818 175.800 0.002 0.000 1.157 281 F CA -0.343 57.624 58.000 -0.056 0.000 1.096 281 F CB -0.565 38.486 39.000 0.085 0.000 1.141 281 F HN 0.448 nan 8.300 nan 0.000 0.579 282 N N 3.523 122.003 118.700 -0.367 0.000 2.758 282 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 282 N C 0.768 176.195 175.510 -0.137 0.000 1.076 282 N CA 1.099 53.962 53.050 -0.313 0.000 0.696 282 N CB -1.545 36.634 38.487 -0.514 0.000 0.979 282 N HN 1.161 nan 8.380 nan 0.000 0.550 283 G N -1.206 107.549 108.800 -0.075 0.000 2.153 283 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.252 283 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.252 283 G C -0.172 174.718 174.900 -0.018 0.000 0.994 283 G CA 0.681 45.770 45.100 -0.018 0.000 0.698 283 G HN 0.815 nan 8.290 nan 0.000 0.521 284 Q N 0.182 119.972 119.800 -0.018 0.000 2.353 284 Q HA 0.624 4.964 4.340 -0.000 0.000 0.268 284 Q C -2.777 173.243 176.000 0.032 0.000 1.045 284 Q CA -2.457 53.356 55.803 0.018 0.000 0.811 284 Q CB 2.512 31.277 28.738 0.045 0.000 1.305 284 Q HN 0.138 nan 8.270 nan 0.000 0.447 285 P HA 0.292 nan 4.420 nan 0.000 0.268 285 P C -1.486 175.824 177.300 0.016 0.000 1.205 285 P CA 0.108 63.210 63.100 0.003 0.000 0.771 285 P CB 1.083 32.785 31.700 0.004 0.000 0.858 286 A N 1.110 123.924 122.820 -0.010 0.000 2.549 286 A HA 0.616 4.936 4.320 -0.000 0.000 0.291 286 A C -0.950 176.623 177.584 -0.018 0.000 1.034 286 A CA -0.329 51.706 52.037 -0.004 0.000 0.655 286 A CB 0.645 19.670 19.000 0.042 0.000 1.299 286 A HN 0.395 nan 8.150 nan 0.000 0.427 287 S N -1.816 113.885 115.700 0.001 0.000 2.841 287 S HA 0.985 5.454 4.470 -0.000 0.000 0.318 287 S C 0.264 174.896 174.600 0.055 0.000 1.127 287 S CA 0.544 58.773 58.200 0.048 0.000 0.883 287 S CB 1.730 64.939 63.200 0.015 0.000 1.271 287 S HN 2.524 nan 8.310 nan 0.000 0.567 288 G N -0.166 108.676 108.800 0.069 0.000 2.485 288 G HA2 0.416 4.376 3.960 -0.000 0.000 0.182 288 G HA3 0.416 4.376 3.960 -0.000 0.000 0.182 288 G C -2.303 172.601 174.900 0.005 0.000 1.172 288 G CA -0.562 44.502 45.100 -0.061 0.000 0.996 288 G HN 0.733 nan 8.290 nan 0.000 0.496 289 L N 0.192 121.333 121.223 -0.136 0.000 2.445 289 L HA 0.692 5.032 4.340 -0.000 0.000 0.262 289 L C 0.006 176.866 176.870 -0.016 0.000 0.974 289 L CA -0.600 54.264 54.840 0.039 0.000 0.822 289 L CB 2.731 44.797 42.059 0.013 0.000 1.339 289 L HN 0.900 nan 8.230 nan 0.000 0.409 290 G N 3.063 112.062 108.800 0.331 0.000 4.160 290 G HA2 0.459 4.419 3.960 -0.000 0.000 0.341 290 G HA3 0.459 4.419 3.960 -0.000 0.000 0.341 290 G C -0.442 174.708 174.900 0.418 0.000 1.510 290 G CA -0.280 44.999 45.100 0.299 0.000 1.011 290 G HN 0.404 nan 8.290 nan 0.000 0.491 291 I N 2.002 122.726 120.570 0.257 0.000 2.691 291 I HA 0.031 4.201 4.170 -0.000 0.000 0.288 291 I C 1.024 177.314 176.117 0.288 0.000 1.143 291 I CA 0.388 61.825 61.300 0.227 0.000 1.364 291 I CB 0.266 38.347 38.000 0.134 0.000 1.435 291 I HN 0.303 nan 8.210 nan 0.000 0.551 292 K N 7.108 127.666 120.400 0.264 0.000 2.144 292 K HA 0.404 4.724 4.320 -0.000 0.000 0.270 292 K C -0.340 176.298 176.600 0.064 0.000 1.005 292 K CA -0.727 55.625 56.287 0.107 0.000 0.932 292 K CB 1.084 33.571 32.500 -0.022 0.000 1.021 292 K HN 0.448 nan 8.250 nan 0.000 0.462 293 L N 2.053 123.294 121.223 0.031 0.000 2.479 293 L HA 0.346 4.686 4.340 -0.000 0.000 0.248 293 L C -0.184 176.697 176.870 0.019 0.000 1.205 293 L CA -0.184 54.677 54.840 0.035 0.000 0.817 293 L CB 1.239 43.321 42.059 0.038 0.000 1.162 293 L HN 0.973 nan 8.230 nan 0.000 0.486 294 A N 0.532 123.363 122.820 0.018 0.000 2.304 294 A HA 0.403 4.723 4.320 -0.000 0.000 0.323 294 A C 0.062 177.645 177.584 -0.002 0.000 1.195 294 A CA -0.454 51.586 52.037 0.005 0.000 0.826 294 A CB 0.415 19.416 19.000 0.003 0.000 1.184 294 A HN 0.724 nan 8.150 nan 0.000 0.496 295 T N 2.314 116.860 114.554 -0.013 0.000 2.476 295 T HA 0.296 4.646 4.350 -0.000 0.000 0.236 295 T C 1.487 176.171 174.700 -0.027 0.000 1.100 295 T CA 2.059 64.146 62.100 -0.023 0.000 1.485 295 T CB -0.639 68.202 68.868 -0.044 0.000 1.093 295 T HN 2.002 nan 8.240 nan 0.000 0.495 296 G N 1.778 110.570 108.800 -0.013 0.000 2.218 296 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.216 296 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.216 296 G C 0.379 175.277 174.900 -0.003 0.000 0.994 296 G CA -0.131 44.961 45.100 -0.013 0.000 0.637 296 G HN 1.105 nan 8.290 nan 0.000 0.505 297 A N 0.330 123.153 122.820 0.004 0.000 2.409 297 A HA 0.510 4.830 4.320 -0.000 0.000 0.246 297 A C 1.242 178.838 177.584 0.019 0.000 1.099 297 A CA 0.829 52.873 52.037 0.012 0.000 0.789 297 A CB 0.126 19.137 19.000 0.018 0.000 1.053 297 A HN 0.390 nan 8.150 nan 0.000 0.503 298 N N 0.603 119.315 118.700 0.020 0.000 2.383 298 N HA 0.222 4.962 4.740 -0.000 0.000 0.192 298 N C 1.243 176.771 175.510 0.030 0.000 1.141 298 N CA 0.947 54.010 53.050 0.021 0.000 0.851 298 N CB -0.179 38.317 38.487 0.015 0.000 0.976 298 N HN 0.955 nan 8.380 nan 0.000 0.465 299 A N 1.786 124.630 122.820 0.041 0.000 5.123 299 A HA -0.308 4.012 4.320 -0.000 0.000 0.337 299 A C 0.752 178.364 177.584 0.047 0.000 1.775 299 A CA 1.447 53.517 52.037 0.055 0.000 0.704 299 A CB -1.611 17.430 19.000 0.068 0.000 1.426 299 A HN 0.376 nan 8.150 nan 0.000 0.391 300 L N 0.704 121.951 121.223 0.040 0.000 2.679 300 L HA 0.336 4.675 4.340 -0.000 0.000 0.241 300 L C 0.374 177.254 176.870 0.017 0.000 1.441 300 L CA 2.030 56.887 54.840 0.029 0.000 1.181 300 L CB -0.721 41.349 42.059 0.017 0.000 1.451 300 L HN 0.530 nan 8.230 nan 0.000 0.446 301 D N -1.208 119.204 120.400 0.021 0.000 1.367 301 D HA -0.125 4.515 4.640 -0.000 0.000 0.758 301 D C 1.429 177.740 176.300 0.019 0.000 0.713 301 D CA 0.741 54.749 54.000 0.014 0.000 1.249 301 D CB 0.300 41.107 40.800 0.012 0.000 1.531 301 D HN 0.304 nan 8.370 nan 0.000 0.449 302 T N 1.320 115.890 114.554 0.027 0.000 2.674 302 T HA -0.082 4.268 4.350 -0.000 0.000 0.265 302 T C 1.870 176.592 174.700 0.037 0.000 1.039 302 T CA 2.103 64.222 62.100 0.032 0.000 1.150 302 T CB -0.135 68.756 68.868 0.039 0.000 0.864 302 T HN 0.242 nan 8.240 nan 0.000 0.427 303 A N 0.792 123.638 122.820 0.044 0.000 2.016 303 A HA 0.409 4.729 4.320 -0.000 0.000 0.217 303 A C 2.394 179.997 177.584 0.032 0.000 1.162 303 A CA 1.358 53.424 52.037 0.048 0.000 0.662 303 A CB -0.632 18.406 19.000 0.062 0.000 0.812 303 A HN 0.482 nan 8.150 nan 0.000 0.450 304 A N -0.948 121.886 122.820 0.023 0.000 2.167 304 A HA 0.557 4.877 4.320 -0.000 0.000 0.214 304 A C 1.133 178.722 177.584 0.007 0.000 1.151 304 A CA 0.896 52.938 52.037 0.009 0.000 0.735 304 A CB -0.433 18.569 19.000 0.004 0.000 0.802 304 A HN 1.007 nan 8.150 nan 0.000 0.467 305 A N 0.466 123.294 122.820 0.014 0.000 2.291 305 A HA 0.667 4.987 4.320 -0.000 0.000 0.311 305 A C 0.043 177.637 177.584 0.018 0.000 1.224 305 A CA -0.565 51.479 52.037 0.012 0.000 0.821 305 A CB -0.032 18.975 19.000 0.011 0.000 1.172 305 A HN 0.739 nan 8.150 nan 0.000 0.494 306 I N -0.843 119.737 120.570 0.017 0.000 9.111 306 I HA -0.184 3.986 4.170 -0.000 0.000 0.126 306 I C 0.276 176.396 176.117 0.006 0.000 1.868 306 I CA -0.032 61.274 61.300 0.010 0.000 2.039 306 I CB -0.093 37.910 38.000 0.006 0.000 3.957 306 I HN 0.826 nan 8.210 nan 0.000 0.169 307 R N 3.569 124.070 120.500 0.002 0.000 4.141 307 R HA 0.608 4.948 4.340 -0.000 0.000 0.281 307 R C 0.352 176.651 176.300 -0.002 0.000 1.608 307 R CA 0.821 56.920 56.100 -0.001 0.000 1.426 307 R CB -0.069 30.228 30.300 -0.005 0.000 1.432 307 R HN 0.978 nan 8.270 nan 0.000 0.708 308 A N -0.036 122.785 122.820 0.002 0.000 5.151 308 A HA -0.304 4.016 4.320 -0.000 0.000 0.474 308 A C 1.196 178.785 177.584 0.009 0.000 2.038 308 A CA 0.852 52.893 52.037 0.006 0.000 2.009 308 A CB -0.355 18.652 19.000 0.011 0.000 1.315 308 A HN 0.654 nan 8.150 nan 0.000 0.599 309 E N 0.193 120.406 120.200 0.022 0.000 2.110 309 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 309 E C 1.306 177.919 176.600 0.022 0.000 0.988 309 E CA 1.556 57.974 56.400 0.030 0.000 0.804 309 E CB -0.148 29.583 29.700 0.051 0.000 0.745 309 E HN 2.110 nan 8.360 nan 0.000 0.458 310 L N -2.626 118.605 121.223 0.013 0.000 3.533 310 L HA -0.258 4.082 4.340 -0.000 0.000 0.477 310 L C 0.201 177.066 176.870 -0.008 0.000 1.306 310 L CA 0.817 55.659 54.840 0.003 0.000 0.850 310 L CB -2.551 39.517 42.059 0.015 0.000 1.654 310 L HN 0.190 nan 8.230 nan 0.000 0.863 311 A N 0.792 123.602 122.820 -0.017 0.000 1.963 311 A HA 0.206 4.526 4.320 -0.000 0.000 0.207 311 A C 1.599 179.144 177.584 -0.065 0.000 1.243 311 A CA 0.541 52.558 52.037 -0.034 0.000 0.728 311 A CB 0.051 19.039 19.000 -0.021 0.000 0.895 311 A HN 0.472 nan 8.150 nan 0.000 0.467 312 K N -0.296 120.083 120.400 -0.035 0.000 2.469 312 K HA 0.337 4.657 4.320 -0.000 0.000 0.201 312 K C 0.243 176.836 176.600 -0.011 0.000 1.028 312 K CA 0.337 56.618 56.287 -0.010 0.000 1.170 312 K CB -0.051 32.480 32.500 0.052 0.000 0.874 312 K HN 0.500 nan 8.250 nan 0.000 0.507 313 M N 0.159 119.700 119.600 -0.097 0.000 2.412 313 M HA 0.065 4.545 4.480 -0.000 0.000 0.315 313 M C 0.045 176.012 176.300 -0.555 0.000 1.092 313 M CA 0.219 55.401 55.300 -0.198 0.000 0.974 313 M CB 0.730 33.293 32.600 -0.062 0.000 1.437 313 M HN 0.017 nan 8.290 nan 0.000 0.524 314 E N 0.066 119.999 120.200 -0.445 0.000 2.499 314 E HA 0.158 4.508 4.350 -0.000 0.000 0.207 314 E C -1.944 174.356 176.600 -0.501 0.000 1.034 314 E CA -0.738 55.340 56.400 -0.537 0.000 1.098 314 E CB 0.014 29.595 29.700 -0.199 0.000 1.148 314 E HN 0.375 nan 8.360 nan 0.000 0.447 315 P HA 0.186 nan 4.420 nan 0.000 0.239 315 P C 0.699 177.735 177.300 -0.440 0.000 0.996 315 P CA 0.041 62.848 63.100 -0.488 0.000 1.182 315 P CB 0.066 31.381 31.700 -0.641 0.000 0.924 316 F N -0.861 119.034 119.950 -0.092 0.000 2.732 316 F HA 0.261 4.788 4.527 -0.000 0.000 0.303 316 F C 0.693 176.625 175.800 0.220 0.000 1.110 316 F CA -0.496 57.538 58.000 0.057 0.000 1.355 316 F CB -0.541 38.506 39.000 0.078 0.000 1.081 316 F HN -0.256 nan 8.300 nan 0.000 0.565 317 F N 3.307 123.403 119.950 0.243 0.000 2.629 317 F HA 0.035 4.561 4.527 -0.000 0.000 0.369 317 F C -0.826 175.064 175.800 0.151 0.000 1.125 317 F CA -2.824 55.324 58.000 0.248 0.000 1.330 317 F CB -0.573 38.532 39.000 0.175 0.000 1.071 317 F HN -0.026 nan 8.300 nan 0.000 0.595 318 P HA 0.052 nan 4.420 nan 0.000 0.329 318 P C -0.618 176.739 177.300 0.096 0.000 1.319 318 P CA -0.477 62.692 63.100 0.115 0.000 0.742 318 P CB 0.308 32.001 31.700 -0.011 0.000 1.564 319 S N -1.384 114.344 115.700 0.047 0.000 2.465 319 S HA 0.421 4.891 4.470 -0.000 0.000 0.280 319 S C 1.137 175.756 174.600 0.032 0.000 1.232 319 S CA 0.627 58.852 58.200 0.043 0.000 1.066 319 S CB -1.525 61.692 63.200 0.028 0.000 0.929 319 S HN 0.877 nan 8.310 nan 0.000 0.494 320 G N 4.015 112.841 108.800 0.044 0.000 2.258 320 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.233 320 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.233 320 G C 0.118 175.031 174.900 0.023 0.000 1.006 320 G CA -0.039 45.080 45.100 0.032 0.000 0.620 320 G HN 0.702 nan 8.290 nan 0.000 0.511 321 L N 1.426 122.655 121.223 0.010 0.000 2.418 321 L HA 0.537 4.877 4.340 -0.000 0.000 0.274 321 L C 0.428 177.318 176.870 0.035 0.000 1.135 321 L CA 0.486 55.278 54.840 -0.080 0.000 0.870 321 L CB 0.994 42.880 42.059 -0.288 0.000 1.154 321 L HN 0.413 nan 8.230 nan 0.000 0.462 322 K N 4.779 125.181 120.400 0.002 0.000 2.482 322 K HA 0.580 4.900 4.320 -0.000 0.000 0.257 322 K C -1.051 175.546 176.600 -0.005 0.000 0.969 322 K CA -0.777 55.554 56.287 0.072 0.000 0.842 322 K CB 2.048 34.577 32.500 0.047 0.000 1.359 322 K HN 0.437 nan 8.250 nan 0.000 0.441 323 I N 2.733 123.302 120.570 -0.002 0.000 2.488 323 I HA 0.501 4.671 4.170 -0.000 0.000 0.299 323 I C -0.516 175.388 176.117 -0.355 0.000 0.984 323 I CA -1.097 60.086 61.300 -0.195 0.000 1.250 323 I CB 1.576 39.477 38.000 -0.165 0.000 1.389 323 I HN 0.375 nan 8.210 nan 0.000 0.488 324 V N 6.330 125.863 119.914 -0.634 0.000 3.048 324 V HA 0.442 4.562 4.120 -0.000 0.000 0.303 324 V C -1.937 173.718 176.094 -0.732 0.000 1.214 324 V CA -0.401 61.556 62.300 -0.572 0.000 0.984 324 V CB 2.509 34.056 31.823 -0.459 0.000 1.054 324 V HN 0.544 nan 8.190 nan 0.000 0.430 325 Y N 7.086 127.313 120.300 -0.122 0.000 2.464 325 Y HA 0.660 5.210 4.550 -0.000 0.000 0.326 325 Y C -1.989 173.894 175.900 -0.028 0.000 0.969 325 Y CA -1.958 56.083 58.100 -0.098 0.000 1.270 325 Y CB 1.123 39.557 38.460 -0.043 0.000 1.103 325 Y HN 0.581 nan 8.280 nan 0.000 0.491 326 P HA 0.106 nan 4.420 nan 0.000 0.321 326 P C -0.522 176.851 177.300 0.121 0.000 1.304 326 P CA -0.838 62.336 63.100 0.122 0.000 0.759 326 P CB 0.814 32.594 31.700 0.133 0.000 1.385 327 Y N 0.351 120.629 120.300 -0.038 0.000 2.784 327 Y HA -0.243 4.307 4.550 -0.000 0.000 0.292 327 Y C -0.438 175.424 175.900 -0.063 0.000 1.367 327 Y CA 0.365 58.406 58.100 -0.100 0.000 1.126 327 Y CB -0.909 37.398 38.460 -0.256 0.000 1.491 327 Y HN 0.249 nan 8.280 nan 0.000 0.327 328 D N 3.761 124.291 120.400 0.215 0.000 2.788 328 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 328 D C 0.476 176.869 176.300 0.155 0.000 1.236 328 D CA -0.285 53.827 54.000 0.186 0.000 0.898 328 D CB 1.912 42.783 40.800 0.118 0.000 1.401 328 D HN 0.346 nan 8.370 nan 0.000 0.549 329 T N 1.504 116.175 114.554 0.195 0.000 2.777 329 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 329 T C 1.612 176.429 174.700 0.195 0.000 1.040 329 T CA 1.721 63.938 62.100 0.196 0.000 1.141 329 T CB -0.157 68.836 68.868 0.209 0.000 0.868 329 T HN 0.535 nan 8.240 nan 0.000 0.444 330 T N 2.489 117.125 114.554 0.137 0.000 2.572 330 T HA -0.175 4.175 4.350 -0.000 0.000 0.258 330 T C -0.683 174.092 174.700 0.125 0.000 1.154 330 T CA 2.179 64.339 62.100 0.100 0.000 1.157 330 T CB -1.363 67.528 68.868 0.038 0.000 0.856 330 T HN 0.401 nan 8.240 nan 0.000 0.443 331 P HA 0.075 nan 4.420 nan 0.000 0.233 331 P C 1.142 178.620 177.300 0.296 0.000 1.167 331 P CA 0.478 63.679 63.100 0.168 0.000 0.770 331 P CB -0.222 31.564 31.700 0.143 0.000 0.837 332 F N 0.837 120.899 119.950 0.187 0.000 2.146 332 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 332 F C 2.101 177.964 175.800 0.106 0.000 1.096 332 F CA 1.059 59.197 58.000 0.230 0.000 1.275 332 F CB -0.871 38.266 39.000 0.228 0.000 1.008 332 F HN -0.303 nan 8.300 nan 0.000 0.480 333 V N 0.439 120.406 119.914 0.088 0.000 2.233 333 V HA -0.362 3.758 4.120 -0.000 0.000 0.247 333 V C 2.429 178.482 176.094 -0.068 0.000 1.050 333 V CA 2.391 64.660 62.300 -0.053 0.000 1.010 333 V CB -0.766 31.059 31.823 0.003 0.000 0.637 333 V HN 0.233 nan 8.190 nan 0.000 0.444 334 K N -0.697 119.702 120.400 -0.001 0.000 2.228 334 K HA -0.219 4.101 4.320 -0.000 0.000 0.205 334 K C 1.748 178.346 176.600 -0.003 0.000 1.045 334 K CA 1.705 57.991 56.287 -0.003 0.000 0.931 334 K CB -0.233 32.277 32.500 0.017 0.000 0.727 334 K HN 0.373 nan 8.250 nan 0.000 0.458 335 I N -0.461 120.094 120.570 -0.024 0.000 2.585 335 I HA -0.089 4.081 4.170 -0.000 0.000 0.254 335 I C 1.686 177.715 176.117 -0.146 0.000 1.129 335 I CA 0.925 62.192 61.300 -0.055 0.000 1.455 335 I CB 0.119 38.080 38.000 -0.066 0.000 1.111 335 I HN 0.016 nan 8.210 nan 0.000 0.433 336 S N 0.323 115.855 115.700 -0.280 0.000 2.387 336 S HA -0.022 4.448 4.470 -0.000 0.000 0.226 336 S C 2.098 176.622 174.600 -0.126 0.000 1.026 336 S CA 1.017 59.050 58.200 -0.279 0.000 0.972 336 S CB -0.277 62.654 63.200 -0.447 0.000 0.814 336 S HN 0.333 nan 8.310 nan 0.000 0.477 337 I N 1.022 121.536 120.570 -0.095 0.000 2.163 337 I HA -0.237 3.932 4.170 -0.000 0.000 0.243 337 I C 2.534 178.663 176.117 0.019 0.000 1.085 337 I CA 1.710 62.994 61.300 -0.027 0.000 1.347 337 I CB -0.419 37.568 38.000 -0.022 0.000 1.044 337 I HN 0.334 nan 8.210 nan 0.000 0.408 338 H N 0.962 119.989 119.070 -0.072 0.000 2.457 338 H HA -0.084 4.472 4.556 -0.000 0.000 0.294 338 H C 1.902 177.193 175.328 -0.062 0.000 1.064 338 H CA 1.276 57.289 56.048 -0.058 0.000 1.330 338 H CB 0.194 29.922 29.762 -0.056 0.000 1.395 338 H HN 0.209 nan 8.280 nan 0.000 0.541 339 E N -0.613 119.509 120.200 -0.129 0.000 2.447 339 E HA 0.010 4.360 4.350 -0.000 0.000 0.195 339 E C 1.925 178.453 176.600 -0.121 0.000 1.028 339 E CA 0.287 56.582 56.400 -0.174 0.000 0.876 339 E CB 0.549 30.159 29.700 -0.150 0.000 0.885 339 E HN 0.344 nan 8.360 nan 0.000 0.500 340 V N 0.337 120.219 119.914 -0.052 0.000 2.685 340 V HA -0.086 4.034 4.120 -0.000 0.000 0.244 340 V C 2.198 178.281 176.094 -0.017 0.000 1.054 340 V CA 0.630 62.937 62.300 0.012 0.000 1.076 340 V CB 0.318 32.219 31.823 0.129 0.000 0.725 340 V HN 0.020 nan 8.190 nan 0.000 0.467 341 V N -0.104 119.789 119.914 -0.034 0.000 2.809 341 V HA -0.175 3.945 4.120 -0.000 0.000 0.256 341 V C 2.347 178.380 176.094 -0.101 0.000 1.080 341 V CA 1.637 63.916 62.300 -0.035 0.000 1.102 341 V CB -0.527 31.292 31.823 -0.006 0.000 0.705 341 V HN 0.434 nan 8.190 nan 0.000 0.475 342 K N 0.144 120.431 120.400 -0.188 0.000 2.031 342 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 342 K C 2.283 178.800 176.600 -0.139 0.000 1.049 342 K CA 1.655 57.818 56.287 -0.208 0.000 0.939 342 K CB -0.680 31.637 32.500 -0.304 0.000 0.717 342 K HN 0.405 nan 8.250 nan 0.000 0.438 343 T N 2.391 116.868 114.554 -0.128 0.000 2.635 343 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 343 T C 1.518 176.161 174.700 -0.096 0.000 1.040 343 T CA 1.510 63.540 62.100 -0.116 0.000 1.156 343 T CB -0.394 68.405 68.868 -0.115 0.000 0.863 343 T HN 0.140 nan 8.240 nan 0.000 0.430 344 L N 1.456 122.637 121.223 -0.069 0.000 1.991 344 L HA -0.165 4.175 4.340 -0.000 0.000 0.221 344 L C 2.441 179.275 176.870 -0.059 0.000 1.079 344 L CA 2.124 56.933 54.840 -0.051 0.000 0.778 344 L CB -1.164 40.885 42.059 -0.016 0.000 0.893 344 L HN 0.191 nan 8.230 nan 0.000 0.437 345 V N 0.255 120.131 119.914 -0.062 0.000 2.427 345 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 345 V C 2.566 178.619 176.094 -0.068 0.000 1.051 345 V CA 1.748 64.010 62.300 -0.063 0.000 1.048 345 V CB -0.545 31.240 31.823 -0.064 0.000 0.666 345 V HN 0.475 nan 8.190 nan 0.000 0.456 346 E N 0.492 120.646 120.200 -0.077 0.000 2.085 346 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 346 E C 2.297 178.854 176.600 -0.072 0.000 0.994 346 E CA 1.375 57.730 56.400 -0.074 0.000 0.801 346 E CB -0.312 29.336 29.700 -0.087 0.000 0.743 346 E HN 0.607 nan 8.360 nan 0.000 0.453 347 A N 0.855 123.624 122.820 -0.085 0.000 2.015 347 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 347 A C 2.063 179.612 177.584 -0.059 0.000 1.163 347 A CA 0.768 52.749 52.037 -0.093 0.000 0.646 347 A CB -0.361 18.567 19.000 -0.119 0.000 0.806 347 A HN 0.117 nan 8.150 nan 0.000 0.448 348 I N -0.456 120.087 120.570 -0.046 0.000 2.141 348 I HA -0.206 3.964 4.170 -0.000 0.000 0.236 348 I C 2.305 178.430 176.117 0.013 0.000 1.071 348 I CA 1.158 62.445 61.300 -0.023 0.000 1.345 348 I CB -0.434 37.541 38.000 -0.041 0.000 1.066 348 I HN 0.250 nan 8.210 nan 0.000 0.406 349 I N 0.967 121.528 120.570 -0.015 0.000 2.143 349 I HA -0.359 3.811 4.170 -0.000 0.000 0.245 349 I C 2.538 178.708 176.117 0.088 0.000 1.068 349 I CA 1.658 62.966 61.300 0.014 0.000 1.326 349 I CB -0.350 37.632 38.000 -0.031 0.000 1.028 349 I HN 0.306 nan 8.210 nan 0.000 0.412 350 L N -0.408 120.831 121.223 0.027 0.000 2.141 350 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 350 L C 2.595 179.475 176.870 0.018 0.000 1.094 350 L CA 1.120 55.968 54.840 0.013 0.000 0.763 350 L CB -0.695 41.343 42.059 -0.036 0.000 0.908 350 L HN 0.154 nan 8.230 nan 0.000 0.437 351 V N -0.291 119.634 119.914 0.020 0.000 2.427 351 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 351 V C 2.262 178.386 176.094 0.050 0.000 1.051 351 V CA 1.491 63.798 62.300 0.011 0.000 1.048 351 V CB -0.335 31.489 31.823 0.002 0.000 0.666 351 V HN 0.350 nan 8.190 nan 0.000 0.456 352 F N -0.225 119.697 119.950 -0.046 0.000 2.269 352 F HA -0.132 4.395 4.527 -0.000 0.000 0.301 352 F C 1.823 177.625 175.800 0.004 0.000 1.082 352 F CA 1.528 59.501 58.000 -0.045 0.000 1.360 352 F CB 0.022 38.981 39.000 -0.068 0.000 1.041 352 F HN 0.086 nan 8.300 nan 0.000 0.512 353 L N -1.060 120.212 121.223 0.082 0.000 2.049 353 L HA -0.136 4.204 4.340 -0.000 0.000 0.203 353 L C 2.393 179.265 176.870 0.003 0.000 1.074 353 L CA 0.812 55.682 54.840 0.050 0.000 0.749 353 L CB -1.025 41.084 42.059 0.083 0.000 0.907 353 L HN -0.081 nan 8.230 nan 0.000 0.439 354 V N -0.192 119.700 119.914 -0.038 0.000 2.469 354 V HA -0.304 3.816 4.120 -0.000 0.000 0.251 354 V C 2.671 178.710 176.094 -0.093 0.000 1.064 354 V CA 1.442 63.682 62.300 -0.101 0.000 1.066 354 V CB -0.456 31.267 31.823 -0.166 0.000 0.667 354 V HN 0.365 nan 8.190 nan 0.000 0.461 355 M N -1.470 118.083 119.600 -0.079 0.000 2.117 355 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 355 M C 2.190 178.527 176.300 0.062 0.000 1.065 355 M CA 1.756 57.025 55.300 -0.052 0.000 1.114 355 M CB -1.247 31.280 32.600 -0.121 0.000 1.361 355 M HN 0.420 nan 8.290 nan 0.000 0.408 356 Y N 0.445 120.646 120.300 -0.166 0.000 2.220 356 Y HA -0.081 4.469 4.550 -0.000 0.000 0.291 356 Y C 2.265 178.247 175.900 0.137 0.000 1.129 356 Y CA 0.951 59.020 58.100 -0.051 0.000 1.161 356 Y CB -0.519 37.868 38.460 -0.123 0.000 0.997 356 Y HN 0.026 nan 8.280 nan 0.000 0.522 357 L N -1.360 119.975 121.223 0.187 0.000 2.127 357 L HA -0.276 4.064 4.340 -0.000 0.000 0.211 357 L C 1.884 178.924 176.870 0.283 0.000 1.089 357 L CA 1.888 56.823 54.840 0.158 0.000 0.757 357 L CB -0.945 41.155 42.059 0.069 0.000 0.899 357 L HN 0.209 nan 8.230 nan 0.000 0.434 358 F N -0.841 119.101 119.950 -0.013 0.000 2.419 358 F HA 0.143 4.670 4.527 -0.000 0.000 0.283 358 F C 1.273 177.134 175.800 0.101 0.000 1.044 358 F CA -0.194 57.800 58.000 -0.010 0.000 1.376 358 F CB -0.147 38.837 39.000 -0.027 0.000 1.131 358 F HN -0.212 nan 8.300 nan 0.000 0.585 359 L N 1.931 123.338 121.223 0.307 0.000 2.328 359 L HA 0.244 4.584 4.340 -0.000 0.000 0.280 359 L C 1.496 178.522 176.870 0.260 0.000 1.111 359 L CA -0.171 54.823 54.840 0.257 0.000 0.909 359 L CB 0.669 42.846 42.059 0.196 0.000 1.277 359 L HN 0.245 nan 8.230 nan 0.000 0.433 360 Q N 2.635 122.593 119.800 0.263 0.000 2.234 360 Q HA -0.123 4.216 4.340 -0.000 0.000 0.206 360 Q C 0.383 176.527 176.000 0.238 0.000 0.980 360 Q CA 0.912 56.810 55.803 0.159 0.000 0.869 360 Q CB 0.163 29.033 28.738 0.220 0.000 0.912 360 Q HN 0.620 nan 8.270 nan 0.000 0.436 361 N N 1.043 119.890 118.700 0.246 0.000 2.365 361 N HA -0.104 4.636 4.740 -0.000 0.000 0.265 361 N C 0.070 175.812 175.510 0.387 0.000 1.288 361 N CA 0.242 53.453 53.050 0.268 0.000 0.869 361 N CB 0.383 38.977 38.487 0.178 0.000 1.071 361 N HN 0.248 nan 8.380 nan 0.000 0.480 362 F N 4.818 124.937 119.950 0.281 0.000 2.098 362 F HA -0.098 4.429 4.527 -0.000 0.000 0.294 362 F C 2.402 178.272 175.800 0.117 0.000 1.107 362 F CA 1.152 59.275 58.000 0.205 0.000 1.234 362 F CB -0.028 39.073 39.000 0.168 0.000 1.002 362 F HN 0.511 nan 8.300 nan 0.000 0.472 363 R N 0.804 121.431 120.500 0.210 0.000 2.208 363 R HA -0.282 4.058 4.340 -0.000 0.000 0.262 363 R C 2.057 178.378 176.300 0.036 0.000 1.166 363 R CA 1.903 58.063 56.100 0.101 0.000 0.987 363 R CB -1.824 28.557 30.300 0.135 0.000 0.887 363 R HN 0.379 nan 8.270 nan 0.000 0.459 364 A N 0.758 123.613 122.820 0.059 0.000 1.935 364 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 364 A C 1.761 179.341 177.584 -0.006 0.000 1.178 364 A CA 1.191 53.259 52.037 0.051 0.000 0.640 364 A CB -0.158 18.900 19.000 0.096 0.000 0.825 364 A HN 0.388 nan 8.150 nan 0.000 0.447 365 T N 0.203 114.709 114.554 -0.081 0.000 4.104 365 T HA 0.482 4.832 4.350 -0.000 0.000 0.285 365 T C 0.435 174.981 174.700 -0.257 0.000 1.346 365 T CA 0.281 62.241 62.100 -0.233 0.000 1.158 365 T CB -0.703 67.900 68.868 -0.442 0.000 1.290 365 T HN 0.323 nan 8.240 nan 0.000 0.975 366 L N 2.189 123.361 121.223 -0.087 0.000 1.835 366 L HA 0.160 4.500 4.340 -0.000 0.000 0.207 366 L C 1.742 178.625 176.870 0.021 0.000 1.220 366 L CA 0.190 55.010 54.840 -0.034 0.000 1.307 366 L CB -0.484 41.523 42.059 -0.086 0.000 2.618 366 L HN 0.373 nan 8.230 nan 0.000 0.514 367 I N 2.232 122.819 120.570 0.029 0.000 2.127 367 I HA -0.190 3.980 4.170 -0.000 0.000 0.241 367 I C -0.661 175.471 176.117 0.025 0.000 1.075 367 I CA 1.801 63.130 61.300 0.049 0.000 1.334 367 I CB -1.332 36.703 38.000 0.058 0.000 1.040 367 I HN 0.268 nan 8.210 nan 0.000 0.405 368 P HA -0.024 nan 4.420 nan 0.000 0.219 368 P C 1.652 178.955 177.300 0.005 0.000 1.154 368 P CA 1.239 64.341 63.100 0.004 0.000 0.826 368 P CB -0.157 31.543 31.700 -0.000 0.000 0.795 369 T N 0.320 114.891 114.554 0.028 0.000 2.685 369 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 369 T C 1.385 176.083 174.700 -0.003 0.000 1.034 369 T CA 1.321 63.447 62.100 0.044 0.000 1.149 369 T CB -0.779 68.168 68.868 0.131 0.000 0.860 369 T HN 0.133 nan 8.240 nan 0.000 0.449 370 I N 0.117 120.678 120.570 -0.014 0.000 3.891 370 I HA 0.285 4.455 4.170 -0.000 0.000 0.331 370 I C 1.852 177.916 176.117 -0.089 0.000 1.406 370 I CA -0.211 61.054 61.300 -0.057 0.000 1.139 370 I CB 0.057 38.028 38.000 -0.047 0.000 1.056 370 I HN 0.141 nan 8.210 nan 0.000 0.399 371 A N 0.840 123.625 122.820 -0.058 0.000 1.909 371 A HA -0.004 4.316 4.320 -0.000 0.000 0.210 371 A C 2.210 179.752 177.584 -0.070 0.000 1.273 371 A CA 1.085 53.084 52.037 -0.063 0.000 0.654 371 A CB -0.617 18.364 19.000 -0.033 0.000 0.945 371 A HN 0.205 nan 8.150 nan 0.000 0.471 372 V N -2.452 117.429 119.914 -0.055 0.000 2.667 372 V HA -0.022 4.098 4.120 -0.000 0.000 0.252 372 V C -0.489 175.566 176.094 -0.064 0.000 1.065 372 V CA 1.380 63.645 62.300 -0.058 0.000 1.083 372 V CB -2.017 29.778 31.823 -0.047 0.000 0.692 372 V HN 0.306 nan 8.190 nan 0.000 0.468 373 P HA -0.188 nan 4.420 nan 0.000 0.217 373 P C 2.066 179.328 177.300 -0.063 0.000 1.158 373 P CA 2.003 65.069 63.100 -0.058 0.000 0.887 373 P CB -0.205 31.454 31.700 -0.067 0.000 0.792 374 V N -0.374 119.488 119.914 -0.086 0.000 2.307 374 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 374 V C 2.717 178.764 176.094 -0.077 0.000 1.045 374 V CA 1.669 63.916 62.300 -0.088 0.000 1.024 374 V CB -1.064 30.686 31.823 -0.122 0.000 0.651 374 V HN -0.066 nan 8.190 nan 0.000 0.449 375 V N -0.161 119.703 119.914 -0.083 0.000 2.343 375 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 375 V C 2.315 178.336 176.094 -0.121 0.000 1.051 375 V CA 1.864 64.111 62.300 -0.089 0.000 1.036 375 V CB -0.695 31.079 31.823 -0.081 0.000 0.654 375 V HN 0.430 nan 8.190 nan 0.000 0.451 376 L N -0.375 120.768 121.223 -0.132 0.000 1.971 376 L HA -0.242 4.098 4.340 -0.000 0.000 0.215 376 L C 2.487 179.192 176.870 -0.276 0.000 1.072 376 L CA 1.905 56.611 54.840 -0.223 0.000 0.758 376 L CB -0.720 41.251 42.059 -0.147 0.000 0.889 376 L HN 0.300 nan 8.230 nan 0.000 0.433 377 L N -0.660 120.522 121.223 -0.068 0.000 2.079 377 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 377 L C 2.716 179.599 176.870 0.021 0.000 1.081 377 L CA 1.386 56.280 54.840 0.089 0.000 0.752 377 L CB -1.565 40.544 42.059 0.085 0.000 0.896 377 L HN 0.370 nan 8.230 nan 0.000 0.433 378 G N -0.303 108.465 108.800 -0.055 0.000 2.440 378 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 378 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 378 G C 1.595 176.437 174.900 -0.096 0.000 1.154 378 G CA 1.441 46.501 45.100 -0.066 0.000 0.767 378 G HN 0.306 nan 8.290 nan 0.000 0.552 379 T N 0.641 115.093 114.554 -0.171 0.000 2.867 379 T HA -0.007 4.343 4.350 -0.000 0.000 0.268 379 T C 2.011 176.616 174.700 -0.158 0.000 1.057 379 T CA 0.713 62.688 62.100 -0.208 0.000 1.136 379 T CB -0.295 68.402 68.868 -0.285 0.000 0.874 379 T HN 0.360 nan 8.240 nan 0.000 0.466 380 F N 1.233 121.159 119.950 -0.041 0.000 2.186 380 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 380 F C 2.670 178.441 175.800 -0.049 0.000 1.090 380 F CA 0.505 58.486 58.000 -0.031 0.000 1.307 380 F CB -0.204 38.782 39.000 -0.023 0.000 1.019 380 F HN 0.124 nan 8.300 nan 0.000 0.489 381 A N -0.596 122.289 122.820 0.108 0.000 2.066 381 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 381 A C 2.115 179.649 177.584 -0.084 0.000 1.157 381 A CA 1.183 53.227 52.037 0.012 0.000 0.670 381 A CB -0.702 18.293 19.000 -0.009 0.000 0.804 381 A HN 0.207 nan 8.150 nan 0.000 0.453 382 V N -0.508 119.328 119.914 -0.130 0.000 2.685 382 V HA -0.027 4.093 4.120 -0.000 0.000 0.244 382 V C 2.328 178.224 176.094 -0.330 0.000 1.054 382 V CA 1.103 63.221 62.300 -0.304 0.000 1.076 382 V CB -0.322 31.345 31.823 -0.260 0.000 0.725 382 V HN 0.532 nan 8.190 nan 0.000 0.467 383 L N 0.133 121.286 121.223 -0.118 0.000 2.179 383 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 383 L C 2.687 179.649 176.870 0.153 0.000 1.096 383 L CA 1.198 56.038 54.840 -0.001 0.000 0.779 383 L CB -0.702 41.364 42.059 0.012 0.000 0.922 383 L HN 0.352 nan 8.230 nan 0.000 0.443 384 A N 0.401 123.278 122.820 0.096 0.000 1.933 384 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 384 A C 2.434 180.057 177.584 0.065 0.000 1.175 384 A CA 1.704 53.798 52.037 0.094 0.000 0.628 384 A CB -0.480 18.555 19.000 0.059 0.000 0.814 384 A HN 0.383 nan 8.150 nan 0.000 0.444 385 A N -2.064 120.735 122.820 -0.036 0.000 2.119 385 A HA 0.255 4.575 4.320 -0.000 0.000 0.216 385 A C 1.654 179.258 177.584 0.032 0.000 1.152 385 A CA 0.605 52.593 52.037 -0.083 0.000 0.708 385 A CB -0.505 18.348 19.000 -0.246 0.000 0.805 385 A HN 0.545 nan 8.150 nan 0.000 0.460 386 F N -1.419 118.611 119.950 0.133 0.000 2.695 386 F HA 0.306 4.833 4.527 -0.000 0.000 0.303 386 F C 1.846 177.838 175.800 0.320 0.000 1.091 386 F CA 0.328 58.460 58.000 0.220 0.000 1.300 386 F CB 0.689 39.810 39.000 0.202 0.000 1.071 386 F HN 0.408 nan 8.300 nan 0.000 0.578 387 G N 0.538 109.582 108.800 0.407 0.000 2.194 387 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.236 387 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.236 387 G C 0.242 175.256 174.900 0.190 0.000 0.987 387 G CA -0.532 44.704 45.100 0.227 0.000 0.635 387 G HN 0.224 nan 8.290 nan 0.000 0.520 388 F N 1.992 122.006 119.950 0.107 0.000 2.435 388 F HA 0.531 5.058 4.527 -0.000 0.000 0.316 388 F C 1.403 177.248 175.800 0.075 0.000 1.220 388 F CA 0.433 58.483 58.000 0.084 0.000 1.241 388 F CB 0.937 39.997 39.000 0.100 0.000 1.234 388 F HN 0.244 nan 8.300 nan 0.000 0.569 389 S N -0.225 115.624 115.700 0.250 0.000 2.841 389 S HA 0.545 5.015 4.470 -0.000 0.000 0.318 389 S C -0.458 174.239 174.600 0.162 0.000 1.127 389 S CA -0.939 57.351 58.200 0.151 0.000 0.883 389 S CB 1.327 64.571 63.200 0.075 0.000 1.271 389 S HN 0.441 nan 8.310 nan 0.000 0.567 390 I N 2.430 123.060 120.570 0.099 0.000 2.270 390 I HA 0.122 4.292 4.170 -0.000 0.000 0.294 390 I C -0.152 175.977 176.117 0.020 0.000 1.164 390 I CA -0.194 61.159 61.300 0.089 0.000 1.680 390 I CB -0.964 37.051 38.000 0.025 0.000 1.494 390 I HN 0.383 nan 8.210 nan 0.000 0.767 391 N N 2.388 121.107 118.700 0.032 0.000 2.513 391 N HA 0.110 4.850 4.740 -0.000 0.000 0.274 391 N C 1.402 176.826 175.510 -0.143 0.000 1.189 391 N CA -0.046 52.977 53.050 -0.044 0.000 0.975 391 N CB 1.051 39.547 38.487 0.015 0.000 1.157 391 N HN 0.256 nan 8.380 nan 0.000 0.465 392 T N 1.097 115.481 114.554 -0.285 0.000 2.684 392 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 392 T C 1.928 176.328 174.700 -0.500 0.000 1.032 392 T CA 1.309 63.135 62.100 -0.457 0.000 1.155 392 T CB -0.147 68.467 68.868 -0.424 0.000 0.857 392 T HN 0.374 nan 8.240 nan 0.000 0.457 393 L N 0.618 121.689 121.223 -0.253 0.000 1.961 393 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 393 L C 3.066 179.925 176.870 -0.018 0.000 1.075 393 L CA 1.869 56.537 54.840 -0.285 0.000 0.749 393 L CB -0.936 40.976 42.059 -0.245 0.000 0.890 393 L HN 0.419 nan 8.230 nan 0.000 0.433 394 T N -2.951 111.665 114.554 0.103 0.000 2.918 394 T HA -0.221 4.129 4.350 -0.000 0.000 0.271 394 T C 1.652 176.482 174.700 0.217 0.000 1.104 394 T CA 1.029 63.262 62.100 0.221 0.000 1.114 394 T CB -0.134 68.857 68.868 0.204 0.000 0.855 394 T HN 0.089 nan 8.240 nan 0.000 0.518 395 M N 0.072 119.761 119.600 0.149 0.000 2.357 395 M HA 0.382 4.862 4.480 -0.000 0.000 0.266 395 M C 1.894 178.398 176.300 0.340 0.000 1.095 395 M CA 0.221 55.625 55.300 0.175 0.000 1.156 395 M CB -1.048 31.588 32.600 0.060 0.000 1.365 395 M HN 0.370 nan 8.290 nan 0.000 0.447 396 F N -0.459 119.624 119.950 0.222 0.000 2.502 396 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 396 F C 2.192 178.223 175.800 0.386 0.000 1.111 396 F CA 0.322 58.503 58.000 0.302 0.000 1.445 396 F CB -0.380 38.861 39.000 0.402 0.000 1.081 396 F HN 0.262 nan 8.300 nan 0.000 0.558 397 G N 0.004 109.192 108.800 0.647 0.000 2.430 397 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 397 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 397 G C 1.591 176.530 174.900 0.065 0.000 1.146 397 G CA 0.220 45.461 45.100 0.235 0.000 0.793 397 G HN 0.019 nan 8.290 nan 0.000 0.537 398 M N 0.722 120.371 119.600 0.081 0.000 2.117 398 M HA -0.012 4.468 4.480 -0.000 0.000 0.262 398 M C 2.656 178.955 176.300 -0.002 0.000 1.065 398 M CA 0.798 56.083 55.300 -0.025 0.000 1.114 398 M CB -1.216 31.358 32.600 -0.044 0.000 1.361 398 M HN 0.112 nan 8.290 nan 0.000 0.408 399 V N -0.053 119.896 119.914 0.059 0.000 2.273 399 V HA -0.198 3.922 4.120 -0.000 0.000 0.242 399 V C 2.433 178.506 176.094 -0.034 0.000 1.035 399 V CA 1.103 63.405 62.300 0.004 0.000 1.013 399 V CB -0.938 30.892 31.823 0.010 0.000 0.652 399 V HN 0.316 nan 8.190 nan 0.000 0.452 400 L N 1.104 122.326 121.223 -0.002 0.000 2.064 400 L HA -0.233 4.106 4.340 -0.000 0.000 0.216 400 L C 2.299 179.181 176.870 0.021 0.000 1.077 400 L CA 2.663 57.497 54.840 -0.010 0.000 0.766 400 L CB -0.913 41.093 42.059 -0.089 0.000 0.890 400 L HN 0.284 nan 8.230 nan 0.000 0.435 401 A N -1.206 121.602 122.820 -0.020 0.000 2.016 401 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 401 A C 2.238 179.823 177.584 0.001 0.000 1.162 401 A CA 1.024 53.051 52.037 -0.017 0.000 0.662 401 A CB -0.680 18.292 19.000 -0.048 0.000 0.812 401 A HN 0.473 nan 8.150 nan 0.000 0.450 402 I N 0.032 120.591 120.570 -0.019 0.000 2.227 402 I HA -0.377 3.792 4.170 -0.000 0.000 0.250 402 I C 2.514 178.642 176.117 0.017 0.000 1.087 402 I CA 1.453 62.735 61.300 -0.031 0.000 1.352 402 I CB -0.277 37.681 38.000 -0.070 0.000 1.043 402 I HN 0.434 nan 8.210 nan 0.000 0.425 403 G N -0.017 108.855 108.800 0.120 0.000 2.404 403 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.214 403 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.214 403 G C 1.129 176.132 174.900 0.171 0.000 1.189 403 G CA -0.111 45.212 45.100 0.371 0.000 0.789 403 G HN 0.293 nan 8.290 nan 0.000 0.533 404 L N 1.060 122.324 121.223 0.067 0.000 2.511 404 L HA 0.429 4.769 4.340 -0.000 0.000 0.239 404 L C 0.541 177.376 176.870 -0.058 0.000 1.400 404 L CA -0.107 54.693 54.840 -0.067 0.000 1.226 404 L CB -0.155 41.818 42.059 -0.144 0.000 1.475 404 L HN 0.251 nan 8.230 nan 0.000 0.428 405 L N -0.983 120.218 121.223 -0.035 0.000 1.492 405 L HA 0.009 4.349 4.340 -0.000 0.000 0.135 405 L C 1.413 178.264 176.870 -0.032 0.000 1.363 405 L CA 0.114 54.931 54.840 -0.040 0.000 1.164 405 L CB 0.150 42.185 42.059 -0.039 0.000 2.427 405 L HN 0.022 nan 8.230 nan 0.000 0.476 406 V N -1.139 118.765 119.914 -0.017 0.000 3.306 406 V HA -0.076 4.044 4.120 -0.000 0.000 0.264 406 V C 1.675 177.756 176.094 -0.021 0.000 1.149 406 V CA 1.614 63.904 62.300 -0.016 0.000 1.143 406 V CB -0.355 31.463 31.823 -0.009 0.000 0.767 406 V HN 0.438 nan 8.190 nan 0.000 0.476 407 D N 1.001 121.385 120.400 -0.027 0.000 2.123 407 D HA -0.219 4.421 4.640 -0.000 0.000 0.200 407 D C 1.924 178.192 176.300 -0.054 0.000 0.976 407 D CA 1.425 55.393 54.000 -0.052 0.000 0.831 407 D CB -0.191 40.558 40.800 -0.085 0.000 0.974 407 D HN 0.330 nan 8.370 nan 0.000 0.469 408 D N -0.616 119.752 120.400 -0.053 0.000 2.218 408 D HA -0.100 4.540 4.640 -0.000 0.000 0.204 408 D C 1.826 178.113 176.300 -0.023 0.000 0.976 408 D CA 1.038 55.012 54.000 -0.044 0.000 0.853 408 D CB 0.041 40.813 40.800 -0.047 0.000 0.939 408 D HN 0.316 nan 8.370 nan 0.000 0.481 409 A N 0.429 123.237 122.820 -0.020 0.000 1.929 409 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 409 A C 2.318 179.903 177.584 0.002 0.000 1.176 409 A CA 0.509 52.542 52.037 -0.007 0.000 0.628 409 A CB -0.431 18.563 19.000 -0.010 0.000 0.816 409 A HN 0.192 nan 8.150 nan 0.000 0.444 410 I N -0.205 120.360 120.570 -0.009 0.000 2.045 410 I HA -0.265 3.905 4.170 -0.000 0.000 0.233 410 I C 2.356 178.485 176.117 0.019 0.000 1.048 410 I CA 1.697 62.995 61.300 -0.003 0.000 1.313 410 I CB -0.558 37.424 38.000 -0.030 0.000 1.043 410 I HN 0.221 nan 8.210 nan 0.000 0.393 411 V N 0.487 120.406 119.914 0.008 0.000 2.279 411 V HA -0.425 3.695 4.120 -0.000 0.000 0.258 411 V C 2.227 178.366 176.094 0.076 0.000 1.078 411 V CA 2.550 64.870 62.300 0.033 0.000 1.096 411 V CB -1.475 30.347 31.823 -0.002 0.000 0.740 411 V HN 0.336 nan 8.190 nan 0.000 0.465 412 V N -0.658 119.290 119.914 0.057 0.000 2.244 412 V HA -0.198 3.922 4.120 -0.000 0.000 0.244 412 V C 2.399 178.533 176.094 0.068 0.000 1.042 412 V CA 2.032 64.371 62.300 0.066 0.000 1.006 412 V CB -0.427 31.426 31.823 0.049 0.000 0.641 412 V HN 0.416 nan 8.190 nan 0.000 0.446 413 V N 1.228 121.176 119.914 0.057 0.000 2.324 413 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 413 V C 2.474 178.611 176.094 0.072 0.000 1.060 413 V CA 2.515 64.851 62.300 0.060 0.000 1.042 413 V CB -0.686 31.167 31.823 0.049 0.000 0.650 413 V HN 0.880 nan 8.190 nan 0.000 0.450 414 E N -0.329 119.919 120.200 0.080 0.000 2.415 414 E HA -0.072 4.278 4.350 -0.000 0.000 0.197 414 E C 1.745 178.410 176.600 0.108 0.000 1.007 414 E CA 1.210 57.668 56.400 0.097 0.000 0.890 414 E CB -0.797 28.963 29.700 0.099 0.000 0.891 414 E HN 0.655 nan 8.360 nan 0.000 0.496 415 N N 0.236 119.007 118.700 0.119 0.000 2.270 415 N HA -0.115 4.625 4.740 -0.000 0.000 0.181 415 N C 1.318 176.869 175.510 0.068 0.000 1.016 415 N CA 1.193 54.315 53.050 0.120 0.000 0.870 415 N CB 0.225 38.821 38.487 0.181 0.000 0.979 415 N HN 0.095 nan 8.380 nan 0.000 0.431 416 V N 1.363 121.317 119.914 0.066 0.000 2.307 416 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 416 V C 2.199 178.324 176.094 0.051 0.000 1.045 416 V CA 1.356 63.685 62.300 0.049 0.000 1.024 416 V CB -0.634 31.218 31.823 0.048 0.000 0.651 416 V HN 0.287 nan 8.190 nan 0.000 0.449 417 E N 0.630 120.870 120.200 0.068 0.000 2.136 417 E HA -0.291 4.059 4.350 -0.000 0.000 0.202 417 E C 2.310 178.954 176.600 0.072 0.000 1.019 417 E CA 2.256 58.702 56.400 0.077 0.000 0.819 417 E CB -0.388 29.372 29.700 0.100 0.000 0.739 417 E HN 0.755 nan 8.360 nan 0.000 0.458 418 R N 0.449 120.990 120.500 0.069 0.000 2.055 418 R HA -0.047 4.293 4.340 -0.000 0.000 0.228 418 R C 2.337 178.657 176.300 0.032 0.000 1.143 418 R CA 1.468 57.603 56.100 0.059 0.000 0.945 418 R CB -0.908 29.425 30.300 0.055 0.000 0.841 418 R HN -0.019 nan 8.270 nan 0.000 0.429 419 V N 1.820 121.743 119.914 0.015 0.000 2.418 419 V HA -0.251 3.869 4.120 -0.000 0.000 0.258 419 V C 1.821 177.921 176.094 0.009 0.000 1.088 419 V CA 2.007 64.308 62.300 0.002 0.000 1.091 419 V CB -0.371 31.451 31.823 -0.001 0.000 0.669 419 V HN 0.443 nan 8.190 nan 0.000 0.461 420 M N -1.277 118.335 119.600 0.021 0.000 3.057 420 M HA 0.407 4.887 4.480 -0.000 0.000 0.246 420 M C 0.602 176.913 176.300 0.018 0.000 1.289 420 M CA 0.700 56.011 55.300 0.018 0.000 1.161 420 M CB 0.248 32.864 32.600 0.026 0.000 1.302 420 M HN 0.360 nan 8.290 nan 0.000 0.483 421 A N -0.923 121.906 122.820 0.014 0.000 1.920 421 A HA 0.038 4.358 4.320 -0.000 0.000 0.204 421 A C 1.403 178.992 177.584 0.008 0.000 1.850 421 A CA -0.152 51.893 52.037 0.014 0.000 1.593 421 A CB -0.138 18.887 19.000 0.042 0.000 1.470 421 A HN 0.327 nan 8.150 nan 0.000 0.377 422 E N 0.840 121.049 120.200 0.015 0.000 2.085 422 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 422 E C 0.762 177.357 176.600 -0.008 0.000 0.994 422 E CA 1.726 58.129 56.400 0.004 0.000 0.801 422 E CB 0.093 29.793 29.700 -0.001 0.000 0.743 422 E HN 0.590 nan 8.360 nan 0.000 0.453 423 E N -1.299 118.896 120.200 -0.009 0.000 2.693 423 E HA 0.183 4.533 4.350 -0.000 0.000 0.214 423 E C 0.227 176.819 176.600 -0.012 0.000 0.990 423 E CA 0.387 56.779 56.400 -0.013 0.000 1.047 423 E CB 0.635 30.326 29.700 -0.014 0.000 1.039 423 E HN 0.233 nan 8.360 nan 0.000 0.475 424 G N 2.088 110.881 108.800 -0.011 0.000 2.293 424 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.271 424 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.271 424 G C -0.023 174.870 174.900 -0.011 0.000 0.857 424 G CA 0.655 45.748 45.100 -0.013 0.000 1.221 424 G HN 0.272 nan 8.290 nan 0.000 0.445 425 L N 0.131 121.351 121.223 -0.006 0.000 2.555 425 L HA 0.231 4.571 4.340 -0.000 0.000 0.264 425 L C -1.507 175.363 176.870 0.001 0.000 0.972 425 L CA -2.075 52.763 54.840 -0.005 0.000 0.876 425 L CB 2.541 44.596 42.059 -0.007 0.000 1.216 425 L HN -0.020 nan 8.230 nan 0.000 0.415 426 P HA -0.116 nan 4.420 nan 0.000 0.216 426 P C -1.943 175.360 177.300 0.005 0.000 1.157 426 P CA 0.805 63.908 63.100 0.006 0.000 0.880 426 P CB -1.019 30.682 31.700 0.003 0.000 0.791 427 P HA -0.139 nan 4.420 nan 0.000 0.272 427 P C 0.956 178.256 177.300 -0.000 0.000 1.225 427 P CA 0.583 63.682 63.100 -0.003 0.000 0.800 427 P CB 0.579 32.276 31.700 -0.005 0.000 0.894 428 K N 0.869 121.267 120.400 -0.004 0.000 2.077 428 K HA -0.236 4.084 4.320 -0.000 0.000 0.213 428 K C 1.871 178.472 176.600 0.002 0.000 1.051 428 K CA 2.163 58.449 56.287 -0.002 0.000 0.929 428 K CB -0.249 32.246 32.500 -0.009 0.000 0.715 428 K HN 0.483 nan 8.250 nan 0.000 0.451 429 E N 0.184 120.383 120.200 -0.001 0.000 2.204 429 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 429 E C 1.750 178.351 176.600 0.001 0.000 0.990 429 E CA 1.005 57.405 56.400 0.000 0.000 0.821 429 E CB -0.082 29.617 29.700 -0.002 0.000 0.750 429 E HN 0.344 nan 8.360 nan 0.000 0.477 430 A N 0.742 123.563 122.820 0.002 0.000 1.827 430 A HA -0.242 4.078 4.320 -0.000 0.000 0.215 430 A C 2.333 179.923 177.584 0.009 0.000 1.212 430 A CA 2.390 54.429 52.037 0.003 0.000 0.624 430 A CB -1.471 17.532 19.000 0.005 0.000 0.853 430 A HN 0.325 nan 8.150 nan 0.000 0.450 431 T N -0.835 113.728 114.554 0.015 0.000 2.975 431 T HA -0.324 4.026 4.350 -0.000 0.000 0.256 431 T C 1.772 176.485 174.700 0.021 0.000 1.053 431 T CA 2.202 64.315 62.100 0.022 0.000 1.166 431 T CB -0.351 68.530 68.868 0.022 0.000 0.798 431 T HN 0.482 nan 8.240 nan 0.000 0.528 432 R N 1.049 121.558 120.500 0.014 0.000 2.055 432 R HA 0.194 4.534 4.340 -0.000 0.000 0.221 432 R C 2.113 178.421 176.300 0.014 0.000 1.154 432 R CA 1.049 57.158 56.100 0.015 0.000 0.975 432 R CB -0.015 30.291 30.300 0.010 0.000 0.869 432 R HN 0.253 nan 8.270 nan 0.000 0.437 433 K N 0.069 120.473 120.400 0.007 0.000 2.426 433 K HA 0.082 4.402 4.320 -0.000 0.000 0.193 433 K C 1.626 178.224 176.600 -0.004 0.000 1.028 433 K CA 0.722 57.010 56.287 0.002 0.000 1.047 433 K CB 0.408 32.906 32.500 -0.005 0.000 0.821 433 K HN 0.220 nan 8.250 nan 0.000 0.513 434 S N 1.110 116.811 115.700 0.000 0.000 2.359 434 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 434 S C 1.731 176.347 174.600 0.026 0.000 1.035 434 S CA 1.098 59.299 58.200 0.001 0.000 1.018 434 S CB -0.269 62.941 63.200 0.017 0.000 0.876 434 S HN 0.163 nan 8.310 nan 0.000 0.448 435 M N 1.643 121.266 119.600 0.037 0.000 2.682 435 M HA 0.229 4.709 4.480 -0.000 0.000 0.235 435 M C 2.012 178.339 176.300 0.046 0.000 1.114 435 M CA 0.704 56.036 55.300 0.053 0.000 1.053 435 M CB -1.584 31.044 32.600 0.046 0.000 1.599 435 M HN 0.538 nan 8.290 nan 0.000 0.520 436 G N 0.634 109.452 108.800 0.031 0.000 2.394 436 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 436 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 436 G C 1.566 176.495 174.900 0.049 0.000 1.165 436 G CA 0.235 45.352 45.100 0.027 0.000 0.784 436 G HN 0.412 nan 8.290 nan 0.000 0.535 437 Q N -0.162 119.667 119.800 0.049 0.000 2.245 437 Q HA 0.111 4.451 4.340 -0.000 0.000 0.201 437 Q C 2.525 178.699 176.000 0.291 0.000 0.955 437 Q CA 0.655 56.523 55.803 0.109 0.000 0.870 437 Q CB 0.172 28.845 28.738 -0.107 0.000 0.945 437 Q HN 0.594 nan 8.270 nan 0.000 0.461 438 I N 0.091 120.791 120.570 0.217 0.000 3.035 438 I HA -0.117 4.053 4.170 -0.000 0.000 0.271 438 I C 2.566 178.754 176.117 0.119 0.000 1.190 438 I CA 0.320 61.753 61.300 0.222 0.000 1.472 438 I CB -0.132 37.973 38.000 0.175 0.000 1.116 438 I HN 0.079 nan 8.210 nan 0.000 0.443 439 Q N 1.899 121.749 119.800 0.083 0.000 2.016 439 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 439 Q C 2.209 178.225 176.000 0.027 0.000 0.978 439 Q CA 2.222 58.052 55.803 0.045 0.000 0.833 439 Q CB -0.455 28.302 28.738 0.031 0.000 0.895 439 Q HN 0.467 nan 8.270 nan 0.000 0.427 440 G N 0.833 109.648 108.800 0.025 0.000 2.469 440 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 440 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 440 G C 1.549 176.446 174.900 -0.005 0.000 1.150 440 G CA 1.705 46.792 45.100 -0.021 0.000 0.763 440 G HN 0.553 nan 8.290 nan 0.000 0.561 441 A N 0.904 123.766 122.820 0.069 0.000 1.834 441 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 441 A C 2.444 180.056 177.584 0.047 0.000 1.203 441 A CA 1.587 53.672 52.037 0.080 0.000 0.621 441 A CB -0.707 18.307 19.000 0.023 0.000 0.841 441 A HN 0.341 nan 8.150 nan 0.000 0.446 442 L N -0.340 120.898 121.223 0.024 0.000 2.127 442 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 442 L C 2.240 179.111 176.870 0.002 0.000 1.089 442 L CA 1.123 55.967 54.840 0.006 0.000 0.757 442 L CB -0.451 41.614 42.059 0.010 0.000 0.899 442 L HN 0.307 nan 8.230 nan 0.000 0.434 443 V N -0.931 118.983 119.914 0.000 0.000 3.174 443 V HA 0.060 4.180 4.120 -0.000 0.000 0.254 443 V C 2.360 178.449 176.094 -0.008 0.000 1.120 443 V CA 1.066 63.361 62.300 -0.010 0.000 1.114 443 V CB -0.342 31.469 31.823 -0.019 0.000 0.756 443 V HN 0.457 nan 8.190 nan 0.000 0.467 444 G N 2.089 110.893 108.800 0.006 0.000 2.616 444 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.215 444 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.215 444 G C 1.524 176.497 174.900 0.122 0.000 1.284 444 G CA 1.293 46.446 45.100 0.088 0.000 0.823 444 G HN 0.538 nan 8.290 nan 0.000 0.569 445 I N 0.980 121.610 120.570 0.099 0.000 2.147 445 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 445 I C 3.005 179.108 176.117 -0.024 0.000 1.059 445 I CA 2.026 63.327 61.300 0.001 0.000 1.320 445 I CB -1.079 36.892 38.000 -0.049 0.000 1.021 445 I HN 0.228 nan 8.210 nan 0.000 0.415 446 A N 1.552 124.362 122.820 -0.018 0.000 1.869 446 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 446 A C 2.443 180.016 177.584 -0.020 0.000 1.203 446 A CA 2.709 54.730 52.037 -0.027 0.000 0.638 446 A CB -0.750 18.239 19.000 -0.017 0.000 0.831 446 A HN 0.517 nan 8.150 nan 0.000 0.450 447 M N -0.364 119.236 119.600 0.000 0.000 2.106 447 M HA -0.151 4.329 4.480 -0.000 0.000 0.259 447 M C 2.025 178.325 176.300 -0.000 0.000 1.068 447 M CA 1.728 57.033 55.300 0.008 0.000 1.100 447 M CB -1.189 31.425 32.600 0.024 0.000 1.351 447 M HN 0.341 nan 8.290 nan 0.000 0.404 448 V N -0.795 119.116 119.914 -0.005 0.000 3.461 448 V HA -0.096 4.024 4.120 -0.000 0.000 0.267 448 V C 2.203 178.250 176.094 -0.078 0.000 1.186 448 V CA 0.546 62.827 62.300 -0.032 0.000 1.154 448 V CB -0.999 30.799 31.823 -0.042 0.000 0.802 448 V HN 0.367 nan 8.190 nan 0.000 0.474 449 L N 1.159 122.328 121.223 -0.091 0.000 2.095 449 L HA -0.045 4.295 4.340 -0.000 0.000 0.204 449 L C 2.728 179.538 176.870 -0.100 0.000 1.080 449 L CA 1.532 56.281 54.840 -0.152 0.000 0.759 449 L CB -0.655 41.306 42.059 -0.164 0.000 0.914 449 L HN 0.504 nan 8.230 nan 0.000 0.439 450 S N 0.452 116.126 115.700 -0.042 0.000 2.474 450 S HA -0.061 4.409 4.470 -0.000 0.000 0.235 450 S C 1.920 176.516 174.600 -0.006 0.000 0.997 450 S CA 0.699 58.897 58.200 -0.005 0.000 0.949 450 S CB -0.194 63.003 63.200 -0.006 0.000 0.766 450 S HN 0.314 nan 8.310 nan 0.000 0.517 451 A N 0.826 123.635 122.820 -0.018 0.000 2.206 451 A HA 0.378 4.698 4.320 -0.000 0.000 0.211 451 A C 1.959 179.532 177.584 -0.019 0.000 1.158 451 A CA 0.859 52.891 52.037 -0.009 0.000 0.761 451 A CB -0.414 18.581 19.000 -0.010 0.000 0.801 451 A HN 1.238 nan 8.150 nan 0.000 0.473 452 V N -6.862 113.035 119.914 -0.029 0.000 3.426 452 V HA 0.364 4.484 4.120 -0.000 0.000 0.271 452 V C 1.597 177.702 176.094 0.018 0.000 1.530 452 V CA 0.160 62.434 62.300 -0.044 0.000 1.021 452 V CB -0.637 31.142 31.823 -0.073 0.000 0.824 452 V HN 0.129 nan 8.190 nan 0.000 0.432 453 F N 1.925 121.766 119.950 -0.181 0.000 2.243 453 F HA 0.285 4.812 4.527 -0.000 0.000 0.287 453 F C 2.287 177.959 175.800 -0.213 0.000 1.067 453 F CA 1.673 59.558 58.000 -0.192 0.000 1.304 453 F CB -0.153 38.752 39.000 -0.159 0.000 1.087 453 F HN -0.011 nan 8.300 nan 0.000 0.513 454 V N 2.028 121.910 119.914 -0.053 0.000 2.407 454 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 454 V C -0.543 175.275 176.094 -0.460 0.000 1.055 454 V CA 1.834 63.979 62.300 -0.257 0.000 1.049 454 V CB -2.215 29.487 31.823 -0.202 0.000 0.662 454 V HN 0.179 nan 8.190 nan 0.000 0.455 455 P HA -0.192 nan 4.420 nan 0.000 0.217 455 P C 1.818 179.078 177.300 -0.066 0.000 1.150 455 P CA 1.565 64.612 63.100 -0.087 0.000 0.832 455 P CB -0.143 31.577 31.700 0.033 0.000 0.787 456 M N -0.821 118.673 119.600 -0.176 0.000 2.595 456 M HA 0.099 4.579 4.480 -0.000 0.000 0.248 456 M C 1.571 177.794 176.300 -0.129 0.000 1.119 456 M CA 0.628 55.813 55.300 -0.191 0.000 1.079 456 M CB -0.511 31.844 32.600 -0.409 0.000 1.472 456 M HN -0.145 nan 8.290 nan 0.000 0.501 457 A N -0.486 122.188 122.820 -0.244 0.000 2.235 457 A HA -0.022 4.298 4.320 -0.000 0.000 0.208 457 A C 0.589 178.145 177.584 -0.046 0.000 1.172 457 A CA 0.249 52.149 52.037 -0.228 0.000 0.786 457 A CB -0.808 17.970 19.000 -0.370 0.000 0.804 457 A HN 0.436 nan 8.150 nan 0.000 0.479 458 F N 1.842 121.924 119.950 0.220 0.000 2.869 458 F HA 0.248 4.775 4.527 -0.000 0.000 0.298 458 F C 0.745 176.786 175.800 0.403 0.000 1.235 458 F CA -2.151 56.066 58.000 0.361 0.000 1.402 458 F CB -1.841 37.255 39.000 0.160 0.000 1.142 458 F HN 0.320 nan 8.300 nan 0.000 0.529 459 F N -0.396 119.681 119.950 0.213 0.000 1.995 459 F HA 0.199 4.726 4.527 -0.000 0.000 0.189 459 F C 0.427 176.326 175.800 0.166 0.000 0.597 459 F CA -0.374 57.744 58.000 0.197 0.000 0.807 459 F CB -0.738 38.346 39.000 0.141 0.000 0.797 459 F HN 0.230 nan 8.300 nan 0.000 0.654 460 G N 0.170 109.013 108.800 0.071 0.000 2.759 460 G HA2 0.652 4.612 3.960 -0.000 0.000 0.297 460 G HA3 0.652 4.612 3.960 -0.000 0.000 0.297 460 G C -0.089 174.798 174.900 -0.021 0.000 1.434 460 G CA 0.149 45.204 45.100 -0.076 0.000 0.980 460 G HN 2.003 nan 8.290 nan 0.000 0.531 461 G N 1.195 109.954 108.800 -0.068 0.000 2.672 461 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.324 461 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.324 461 G C 1.673 176.569 174.900 -0.007 0.000 1.286 461 G CA 1.283 46.362 45.100 -0.034 0.000 1.004 461 G HN 1.717 nan 8.290 nan 0.000 0.548 462 S N -0.157 115.527 115.700 -0.027 0.000 2.496 462 S HA 0.121 4.591 4.470 -0.000 0.000 0.224 462 S C 1.911 176.515 174.600 0.007 0.000 0.996 462 S CA 1.661 59.834 58.200 -0.046 0.000 0.927 462 S CB -0.259 62.855 63.200 -0.143 0.000 0.774 462 S HN 0.778 nan 8.310 nan 0.000 0.524 463 T N 1.814 116.395 114.554 0.044 0.000 3.473 463 T HA 0.239 4.589 4.350 -0.000 0.000 0.247 463 T C 1.367 176.132 174.700 0.109 0.000 1.010 463 T CA 0.210 62.360 62.100 0.084 0.000 0.940 463 T CB -0.027 68.864 68.868 0.038 0.000 1.068 463 T HN 0.398 nan 8.240 nan 0.000 0.604 464 G N 2.151 111.051 108.800 0.166 0.000 2.707 464 G HA2 0.063 4.023 3.960 -0.000 0.000 0.192 464 G HA3 0.063 4.023 3.960 -0.000 0.000 0.192 464 G C 1.706 176.780 174.900 0.290 0.000 1.471 464 G CA 0.483 45.803 45.100 0.367 0.000 0.865 464 G HN 0.486 nan 8.290 nan 0.000 0.529 465 A N 0.193 123.091 122.820 0.130 0.000 1.859 465 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 465 A C 2.282 179.878 177.584 0.020 0.000 1.209 465 A CA 2.545 54.583 52.037 0.002 0.000 0.639 465 A CB -0.775 18.199 19.000 -0.044 0.000 0.835 465 A HN 0.711 nan 8.150 nan 0.000 0.450 466 I N -2.321 118.235 120.570 -0.023 0.000 4.763 466 I HA -0.474 3.696 4.170 -0.000 0.000 0.060 466 I C 2.179 178.269 176.117 -0.044 0.000 0.639 466 I CA 2.977 64.195 61.300 -0.135 0.000 0.478 466 I CB -1.297 36.581 38.000 -0.204 0.000 0.466 466 I HN 0.549 nan 8.210 nan 0.000 0.169 467 Y N -0.538 119.780 120.300 0.030 0.000 2.365 467 Y HA -0.120 4.430 4.550 -0.000 0.000 0.293 467 Y C 2.669 178.553 175.900 -0.027 0.000 1.119 467 Y CA 0.758 58.872 58.100 0.024 0.000 1.203 467 Y CB -0.205 38.296 38.460 0.068 0.000 1.026 467 Y HN 0.271 nan 8.280 nan 0.000 0.549 468 R N 1.221 121.789 120.500 0.113 0.000 2.127 468 R HA -0.254 4.086 4.340 -0.000 0.000 0.228 468 R C 1.968 178.274 176.300 0.010 0.000 1.125 468 R CA 2.490 58.536 56.100 -0.091 0.000 0.904 468 R CB -0.671 29.385 30.300 -0.408 0.000 0.831 468 R HN 0.318 nan 8.270 nan 0.000 0.431 469 Q N -0.168 119.726 119.800 0.158 0.000 2.096 469 Q HA -0.239 4.101 4.340 -0.000 0.000 0.208 469 Q C 2.283 178.433 176.000 0.250 0.000 0.993 469 Q CA 2.196 58.166 55.803 0.279 0.000 0.862 469 Q CB -0.498 28.424 28.738 0.307 0.000 0.915 469 Q HN 0.473 nan 8.270 nan 0.000 0.416 470 F N 0.945 120.872 119.950 -0.038 0.000 2.063 470 F HA -0.375 4.152 4.527 -0.000 0.000 0.297 470 F C 2.958 178.452 175.800 -0.509 0.000 1.099 470 F CA 1.080 58.991 58.000 -0.149 0.000 1.220 470 F CB -0.312 38.677 39.000 -0.019 0.000 0.972 470 F HN 0.195 nan 8.300 nan 0.000 0.487 471 S N 0.335 115.675 115.700 -0.600 0.000 2.355 471 S HA -0.222 4.248 4.470 -0.000 0.000 0.210 471 S C 1.888 176.282 174.600 -0.343 0.000 1.035 471 S CA 1.141 58.767 58.200 -0.956 0.000 1.011 471 S CB -0.802 62.009 63.200 -0.648 0.000 1.000 471 S HN 0.287 nan 8.310 nan 0.000 0.423 472 I N 2.111 122.539 120.570 -0.237 0.000 2.094 472 I HA -0.270 3.900 4.170 -0.000 0.000 0.236 472 I C 2.233 178.259 176.117 -0.150 0.000 1.016 472 I CA 2.917 64.098 61.300 -0.198 0.000 1.294 472 I CB -1.573 36.236 38.000 -0.319 0.000 1.006 472 I HN 0.495 nan 8.210 nan 0.000 0.397 473 T N 1.179 115.640 114.554 -0.154 0.000 2.668 473 T HA -0.278 4.072 4.350 -0.000 0.000 0.265 473 T C 1.865 176.534 174.700 -0.052 0.000 1.041 473 T CA 2.926 64.974 62.100 -0.087 0.000 1.160 473 T CB -0.622 68.278 68.868 0.054 0.000 0.857 473 T HN 0.524 nan 8.240 nan 0.000 0.455 474 I N -0.289 120.283 120.570 0.004 0.000 3.035 474 I HA 0.003 4.173 4.170 -0.000 0.000 0.271 474 I C 2.372 178.544 176.117 0.093 0.000 1.190 474 I CA 0.224 61.565 61.300 0.068 0.000 1.472 474 I CB -0.144 37.989 38.000 0.221 0.000 1.116 474 I HN 0.061 nan 8.210 nan 0.000 0.443 475 V N 0.942 120.936 119.914 0.133 0.000 2.295 475 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 475 V C 2.798 178.899 176.094 0.012 0.000 1.049 475 V CA 2.435 64.786 62.300 0.085 0.000 1.024 475 V CB -0.527 31.328 31.823 0.053 0.000 0.648 475 V HN 0.631 nan 8.190 nan 0.000 0.447 476 S N 1.015 116.708 115.700 -0.012 0.000 2.365 476 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 476 S C 2.058 176.630 174.600 -0.046 0.000 1.039 476 S CA 1.874 60.058 58.200 -0.026 0.000 1.033 476 S CB -0.589 62.579 63.200 -0.054 0.000 0.887 476 S HN 0.626 nan 8.310 nan 0.000 0.447 477 A N 2.057 124.844 122.820 -0.055 0.000 2.125 477 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 477 A C 2.322 179.872 177.584 -0.057 0.000 1.156 477 A CA 1.530 53.526 52.037 -0.069 0.000 0.671 477 A CB -0.845 18.109 19.000 -0.076 0.000 0.794 477 A HN 0.894 nan 8.150 nan 0.000 0.459 478 M N -0.914 118.660 119.600 -0.044 0.000 2.123 478 M HA 0.069 4.549 4.480 -0.000 0.000 0.263 478 M C 2.113 178.389 176.300 -0.041 0.000 1.069 478 M CA 1.808 57.077 55.300 -0.051 0.000 1.133 478 M CB -0.309 32.261 32.600 -0.051 0.000 1.356 478 M HN 0.210 nan 8.290 nan 0.000 0.415 479 A N 0.980 123.782 122.820 -0.029 0.000 1.968 479 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 479 A C 2.051 179.618 177.584 -0.028 0.000 1.169 479 A CA 1.198 53.222 52.037 -0.022 0.000 0.638 479 A CB -0.897 18.097 19.000 -0.010 0.000 0.812 479 A HN 0.620 nan 8.150 nan 0.000 0.446 480 L N 0.299 121.498 121.223 -0.040 0.000 2.156 480 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 480 L C 2.827 179.669 176.870 -0.047 0.000 1.095 480 L CA 1.357 56.168 54.840 -0.048 0.000 0.770 480 L CB -0.300 41.720 42.059 -0.065 0.000 0.914 480 L HN 0.552 nan 8.230 nan 0.000 0.439 481 S N -1.341 114.330 115.700 -0.048 0.000 2.461 481 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 481 S C 1.810 176.389 174.600 -0.035 0.000 1.005 481 S CA 0.566 58.738 58.200 -0.046 0.000 0.942 481 S CB -0.241 62.927 63.200 -0.053 0.000 0.776 481 S HN 0.133 nan 8.310 nan 0.000 0.514 482 V N 1.636 121.532 119.914 -0.030 0.000 2.331 482 V HA 0.084 4.204 4.120 -0.000 0.000 0.242 482 V C 2.497 178.585 176.094 -0.011 0.000 1.034 482 V CA 1.318 63.606 62.300 -0.021 0.000 1.027 482 V CB -0.680 31.131 31.823 -0.020 0.000 0.667 482 V HN 0.412 nan 8.190 nan 0.000 0.457 483 L N -0.303 120.913 121.223 -0.012 0.000 2.079 483 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 483 L C 2.422 179.291 176.870 -0.002 0.000 1.081 483 L CA 1.258 56.095 54.840 -0.004 0.000 0.752 483 L CB -0.579 41.475 42.059 -0.008 0.000 0.896 483 L HN 0.190 nan 8.230 nan 0.000 0.433 484 V N -0.314 119.592 119.914 -0.014 0.000 2.358 484 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 484 V C 2.325 178.419 176.094 -0.000 0.000 1.047 484 V CA 1.669 63.961 62.300 -0.015 0.000 1.035 484 V CB -0.645 31.156 31.823 -0.036 0.000 0.658 484 V HN 0.480 nan 8.190 nan 0.000 0.452 485 A N -1.361 121.457 122.820 -0.003 0.000 2.261 485 A HA 0.231 4.551 4.320 -0.000 0.000 0.208 485 A C 1.730 179.325 177.584 0.018 0.000 1.223 485 A CA 0.680 52.721 52.037 0.007 0.000 0.833 485 A CB -0.244 18.755 19.000 -0.002 0.000 0.830 485 A HN 0.543 nan 8.150 nan 0.000 0.483 486 L N -2.126 119.109 121.223 0.020 0.000 3.039 486 L HA 0.358 4.698 4.340 -0.000 0.000 0.269 486 L C 1.313 178.205 176.870 0.038 0.000 1.169 486 L CA 0.229 55.085 54.840 0.026 0.000 0.986 486 L CB 0.382 42.452 42.059 0.019 0.000 1.377 486 L HN 0.360 nan 8.230 nan 0.000 0.575 487 I N -1.939 118.657 120.570 0.043 0.000 3.669 487 I HA -0.001 4.169 4.170 -0.000 0.000 0.255 487 I C 1.510 177.677 176.117 0.084 0.000 1.144 487 I CA 0.060 61.397 61.300 0.062 0.000 1.447 487 I CB 0.162 38.196 38.000 0.057 0.000 1.622 487 I HN -0.022 nan 8.210 nan 0.000 0.435 488 L N 0.720 121.984 121.223 0.068 0.000 2.004 488 L HA 0.027 4.366 4.340 -0.000 0.000 0.205 488 L C 2.298 179.231 176.870 0.104 0.000 1.089 488 L CA 2.347 57.242 54.840 0.091 0.000 0.756 488 L CB -1.138 40.917 42.059 -0.007 0.000 0.900 488 L HN 0.165 nan 8.230 nan 0.000 0.440 489 T N 0.951 115.539 114.554 0.057 0.000 2.680 489 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 489 T C -0.579 174.165 174.700 0.073 0.000 1.033 489 T CA 2.297 64.433 62.100 0.060 0.000 1.152 489 T CB -1.248 67.638 68.868 0.030 0.000 0.859 489 T HN 0.349 nan 8.240 nan 0.000 0.452 490 P HA -0.102 nan 4.420 nan 0.000 0.210 490 P C 1.652 178.997 177.300 0.075 0.000 1.185 490 P CA 1.597 64.736 63.100 0.064 0.000 0.924 490 P CB -0.344 31.390 31.700 0.056 0.000 0.786 491 A N -0.048 122.826 122.820 0.091 0.000 1.884 491 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 491 A C 2.290 179.929 177.584 0.092 0.000 1.197 491 A CA 1.932 54.021 52.037 0.086 0.000 0.637 491 A CB -1.867 17.205 19.000 0.119 0.000 0.827 491 A HN 0.181 nan 8.150 nan 0.000 0.450 492 L N -0.319 121.016 121.223 0.187 0.000 2.012 492 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 492 L C 2.682 179.621 176.870 0.116 0.000 1.073 492 L CA 2.558 57.530 54.840 0.219 0.000 0.748 492 L CB -0.927 41.373 42.059 0.401 0.000 0.891 492 L HN 0.643 nan 8.230 nan 0.000 0.431 493 C N -0.124 119.235 119.300 0.099 0.000 2.411 493 C HA -0.121 4.339 4.460 -0.000 0.000 0.279 493 C C 2.882 177.900 174.990 0.047 0.000 1.288 493 C CA 0.795 59.855 59.018 0.070 0.000 1.764 493 C CB -1.012 26.767 27.740 0.065 0.000 1.974 493 C HN 0.669 nan 8.230 nan 0.000 0.498 494 A N -0.139 122.702 122.820 0.036 0.000 1.824 494 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 494 A C 2.149 179.730 177.584 -0.005 0.000 1.244 494 A CA 2.308 54.353 52.037 0.014 0.000 0.604 494 A CB -1.710 17.294 19.000 0.006 0.000 0.900 494 A HN 0.520 nan 8.150 nan 0.000 0.455 495 T N -1.266 113.269 114.554 -0.031 0.000 2.453 495 T HA -0.268 4.082 4.350 -0.000 0.000 0.218 495 T C 0.766 175.437 174.700 -0.047 0.000 1.437 495 T CA 2.260 64.317 62.100 -0.071 0.000 1.049 495 T CB -0.344 68.450 68.868 -0.123 0.000 0.804 495 T HN 0.485 nan 8.240 nan 0.000 0.463 496 M N 0.201 119.793 119.600 -0.014 0.000 2.299 496 M HA 0.372 4.852 4.480 -0.000 0.000 0.210 496 M C -0.695 175.629 176.300 0.040 0.000 0.981 496 M CA -0.271 55.033 55.300 0.008 0.000 1.014 496 M CB 1.473 34.072 32.600 -0.002 0.000 2.651 496 M HN 0.280 nan 8.290 nan 0.000 0.426 497 L N 3.659 124.907 121.223 0.041 0.000 2.614 497 L HA 0.503 4.843 4.340 -0.000 0.000 0.185 497 L C 0.362 177.268 176.870 0.059 0.000 1.098 497 L CA 1.303 56.176 54.840 0.055 0.000 0.852 497 L CB 0.020 42.110 42.059 0.052 0.000 1.213 497 L HN 0.592 nan 8.230 nan 0.000 0.491 514 G N -0.496 108.288 108.800 -0.027 0.000 2.920 514 G HA2 0.012 3.972 3.960 -0.000 0.000 0.208 514 G HA3 0.012 3.972 3.960 -0.000 0.000 0.208 514 G C 0.236 175.292 174.900 0.261 0.000 1.159 514 G CA 0.088 45.262 45.100 0.123 0.000 0.784 514 G HN 0.441 nan 8.290 nan 0.000 0.535 515 W N 0.767 122.151 121.300 0.139 0.000 2.463 515 W HA 0.201 4.861 4.660 -0.000 0.000 0.316 515 W C 2.081 178.518 176.519 -0.136 0.000 1.170 515 W CA -0.264 57.025 57.345 -0.094 0.000 1.355 515 W CB -1.669 27.624 29.460 -0.279 0.000 1.159 515 W HN 0.225 nan 8.180 nan 0.000 0.487 516 F N 1.825 121.924 119.950 0.249 0.000 2.064 516 F HA -0.404 4.123 4.527 -0.000 0.000 0.293 516 F C 2.156 178.140 175.800 0.307 0.000 1.086 516 F CA 2.062 60.203 58.000 0.235 0.000 1.242 516 F CB -1.707 37.444 39.000 0.252 0.000 0.970 516 F HN -0.063 nan 8.300 nan 0.000 0.494 517 N N 0.119 119.057 118.700 0.396 0.000 2.104 517 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 517 N C 1.781 177.430 175.510 0.230 0.000 1.024 517 N CA 1.605 54.815 53.050 0.267 0.000 0.853 517 N CB -0.341 38.256 38.487 0.183 0.000 1.008 517 N HN 0.374 nan 8.380 nan 0.000 0.424 518 R N -0.096 120.521 120.500 0.194 0.000 2.051 518 R HA 0.053 4.393 4.340 -0.000 0.000 0.225 518 R C 2.059 178.416 176.300 0.095 0.000 1.155 518 R CA 0.830 57.015 56.100 0.142 0.000 0.945 518 R CB -0.685 29.678 30.300 0.105 0.000 0.840 518 R HN 0.061 nan 8.270 nan 0.000 0.432 519 M N 1.073 120.672 119.600 -0.003 0.000 2.907 519 M HA -0.285 4.195 4.480 -0.000 0.000 0.263 519 M C 1.777 177.998 176.300 -0.131 0.000 1.036 519 M CA 1.856 57.056 55.300 -0.165 0.000 1.047 519 M CB -0.982 31.393 32.600 -0.374 0.000 1.284 519 M HN 0.176 nan 8.290 nan 0.000 0.500 520 F N 0.090 120.040 119.950 0.001 0.000 2.126 520 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 520 F C 2.437 178.211 175.800 -0.043 0.000 1.096 520 F CA 2.036 60.028 58.000 -0.013 0.000 1.255 520 F CB -0.730 38.270 39.000 0.001 0.000 0.997 520 F HN 0.449 nan 8.300 nan 0.000 0.479 521 E N 0.830 121.147 120.200 0.194 0.000 1.983 521 E HA -0.301 4.049 4.350 -0.000 0.000 0.208 521 E C 2.118 178.860 176.600 0.237 0.000 1.006 521 E CA 1.484 57.989 56.400 0.174 0.000 0.872 521 E CB -0.087 29.799 29.700 0.310 0.000 0.806 521 E HN -0.030 nan 8.360 nan 0.000 0.510 522 K N 0.436 121.017 120.400 0.302 0.000 2.250 522 K HA -0.301 4.019 4.320 -0.000 0.000 0.217 522 K C 2.227 178.939 176.600 0.186 0.000 1.010 522 K CA 2.159 58.594 56.287 0.246 0.000 0.937 522 K CB -1.191 31.356 32.500 0.078 0.000 0.892 522 K HN 0.156 nan 8.250 nan 0.000 0.481 523 S N -1.105 114.642 115.700 0.078 0.000 2.326 523 S HA -0.119 4.351 4.470 -0.000 0.000 0.211 523 S C 1.931 176.606 174.600 0.125 0.000 1.031 523 S CA 1.958 60.192 58.200 0.056 0.000 0.985 523 S CB -0.695 62.472 63.200 -0.055 0.000 0.961 523 S HN 0.438 nan 8.310 nan 0.000 0.436 524 T N 1.571 116.159 114.554 0.056 0.000 2.653 524 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 524 T C 0.913 175.608 174.700 -0.009 0.000 1.035 524 T CA 1.761 63.857 62.100 -0.006 0.000 1.154 524 T CB -0.666 68.140 68.868 -0.102 0.000 0.862 524 T HN 0.602 nan 8.240 nan 0.000 0.441 525 H N -0.918 118.170 119.070 0.031 0.000 2.136 525 H HA 0.185 4.741 4.556 -0.000 0.000 0.311 525 H C 1.521 176.835 175.328 -0.023 0.000 1.737 525 H CA -0.598 55.391 56.048 -0.098 0.000 1.439 525 H CB 0.299 29.894 29.762 -0.279 0.000 1.733 525 H HN 0.208 nan 8.280 nan 0.000 0.637 526 H N -1.345 117.837 119.070 0.187 0.000 1.471 526 H HA -0.399 4.157 4.556 -0.000 0.000 0.090 526 H C 1.913 177.275 175.328 0.056 0.000 0.534 526 H CA 2.425 58.539 56.048 0.110 0.000 1.900 526 H CB -1.638 28.197 29.762 0.121 0.000 2.255 526 H HN 0.711 nan 8.280 nan 0.000 0.961 527 Y N 1.964 122.283 120.300 0.031 0.000 2.090 527 Y HA -0.174 4.376 4.550 -0.000 0.000 0.274 527 Y C 2.868 178.707 175.900 -0.102 0.000 1.110 527 Y CA 2.791 60.757 58.100 -0.224 0.000 1.092 527 Y CB -0.698 37.586 38.460 -0.294 0.000 0.992 527 Y HN 0.374 nan 8.280 nan 0.000 0.479 528 T N 0.389 114.902 114.554 -0.068 0.000 2.977 528 T HA -0.126 4.224 4.350 -0.000 0.000 0.271 528 T C 1.043 175.655 174.700 -0.147 0.000 1.105 528 T CA 1.374 63.378 62.100 -0.160 0.000 1.116 528 T CB -0.290 68.595 68.868 0.028 0.000 0.878 528 T HN 0.390 nan 8.240 nan 0.000 0.509 529 D N 1.346 121.701 120.400 -0.075 0.000 2.162 529 D HA -0.032 4.608 4.640 -0.000 0.000 0.205 529 D C 2.538 178.796 176.300 -0.069 0.000 0.964 529 D CA 1.327 55.292 54.000 -0.058 0.000 0.847 529 D CB -0.449 40.337 40.800 -0.022 0.000 0.988 529 D HN 0.508 nan 8.370 nan 0.000 0.480 530 S N 0.308 115.983 115.700 -0.041 0.000 2.387 530 S HA -0.093 4.377 4.470 -0.000 0.000 0.226 530 S C 2.258 176.817 174.600 -0.069 0.000 1.026 530 S CA 0.581 58.786 58.200 0.009 0.000 0.972 530 S CB -0.766 62.541 63.200 0.178 0.000 0.814 530 S HN 0.052 nan 8.310 nan 0.000 0.477 531 V N 2.725 122.520 119.914 -0.199 0.000 2.277 531 V HA -0.243 3.877 4.120 -0.000 0.000 0.253 531 V C 2.869 178.778 176.094 -0.308 0.000 1.067 531 V CA 2.191 64.290 62.300 -0.336 0.000 1.047 531 V CB -1.713 29.763 31.823 -0.578 0.000 0.649 531 V HN 0.688 nan 8.190 nan 0.000 0.447 532 G N -0.723 107.933 108.800 -0.239 0.000 2.418 532 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 532 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 532 G C 1.580 176.378 174.900 -0.171 0.000 1.158 532 G CA 0.908 45.888 45.100 -0.200 0.000 0.771 532 G HN 0.627 nan 8.290 nan 0.000 0.545 533 G N 1.444 110.169 108.800 -0.126 0.000 2.408 533 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 533 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 533 G C 1.829 176.663 174.900 -0.110 0.000 1.150 533 G CA 0.973 46.025 45.100 -0.080 0.000 0.776 533 G HN 0.672 nan 8.290 nan 0.000 0.542 534 I N -2.061 118.385 120.570 -0.207 0.000 2.676 534 I HA 0.148 4.318 4.170 -0.000 0.000 0.259 534 I C 2.331 178.129 176.117 -0.533 0.000 1.194 534 I CA 0.754 61.822 61.300 -0.387 0.000 1.473 534 I CB -0.130 37.623 38.000 -0.412 0.000 1.096 534 I HN 0.044 nan 8.210 nan 0.000 0.443 535 L N 0.815 121.753 121.223 -0.475 0.000 2.209 535 L HA 0.028 4.368 4.340 -0.000 0.000 0.207 535 L C 2.927 179.606 176.870 -0.318 0.000 1.094 535 L CA 0.823 55.350 54.840 -0.522 0.000 0.790 535 L CB -0.356 41.453 42.059 -0.416 0.000 0.932 535 L HN 0.176 nan 8.230 nan 0.000 0.447 536 R N 0.008 120.388 120.500 -0.200 0.000 2.080 536 R HA -0.090 4.250 4.340 -0.000 0.000 0.236 536 R C 1.254 177.520 176.300 -0.055 0.000 1.137 536 R CA 1.291 57.327 56.100 -0.107 0.000 0.943 536 R CB -0.936 29.327 30.300 -0.062 0.000 0.846 536 R HN 0.362 nan 8.270 nan 0.000 0.431 537 S N -0.719 114.976 115.700 -0.008 0.000 2.608 537 S HA 0.220 4.690 4.470 -0.000 0.000 0.261 537 S C 0.639 175.329 174.600 0.151 0.000 1.314 537 S CA -0.232 58.046 58.200 0.130 0.000 0.992 537 S CB 1.964 65.360 63.200 0.326 0.000 0.935 537 S HN 0.224 nan 8.310 nan 0.000 0.564 538 T N -0.986 113.755 114.554 0.311 0.000 3.647 538 T HA 0.215 4.565 4.350 -0.000 0.000 0.301 538 T C 1.596 176.509 174.700 0.354 0.000 0.876 538 T CA 0.322 62.658 62.100 0.394 0.000 1.051 538 T CB -1.119 67.852 68.868 0.171 0.000 1.154 538 T HN 0.711 nan 8.240 nan 0.000 0.547 539 G N 1.214 110.153 108.800 0.231 0.000 2.421 539 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 539 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 539 G C 1.450 176.438 174.900 0.147 0.000 1.143 539 G CA 1.105 46.302 45.100 0.161 0.000 0.784 539 G HN 0.469 nan 8.290 nan 0.000 0.541 540 R N -0.859 119.747 120.500 0.175 0.000 2.066 540 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 540 R C 2.135 178.435 176.300 -0.001 0.000 1.131 540 R CA 1.109 57.245 56.100 0.060 0.000 0.955 540 R CB -0.386 29.915 30.300 0.001 0.000 0.851 540 R HN 0.401 nan 8.270 nan 0.000 0.432 541 Y N 0.551 120.847 120.300 -0.006 0.000 2.439 541 Y HA -0.102 4.448 4.550 -0.000 0.000 0.292 541 Y C 1.998 177.790 175.900 -0.179 0.000 1.130 541 Y CA 0.847 58.839 58.100 -0.179 0.000 1.254 541 Y CB -0.158 37.963 38.460 -0.566 0.000 1.000 541 Y HN 0.146 nan 8.280 nan 0.000 0.554 542 L N -0.965 120.304 121.223 0.075 0.000 2.044 542 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 542 L C 1.908 178.851 176.870 0.121 0.000 1.075 542 L CA 1.150 56.039 54.840 0.082 0.000 0.747 542 L CB -0.391 41.728 42.059 0.100 0.000 0.903 542 L HN -0.037 nan 8.230 nan 0.000 0.435 543 V N -0.025 119.935 119.914 0.076 0.000 2.970 543 V HA -0.203 3.917 4.120 -0.000 0.000 0.260 543 V C 2.258 178.363 176.094 0.018 0.000 1.100 543 V CA 1.372 63.702 62.300 0.050 0.000 1.122 543 V CB -0.234 31.606 31.823 0.028 0.000 0.721 543 V HN 0.443 nan 8.190 nan 0.000 0.483 544 L N -0.765 120.458 121.223 0.001 0.000 2.131 544 L HA -0.085 4.255 4.340 -0.000 0.000 0.206 544 L C 2.298 179.173 176.870 0.007 0.000 1.087 544 L CA 1.629 56.449 54.840 -0.033 0.000 0.767 544 L CB -0.500 41.503 42.059 -0.092 0.000 0.917 544 L HN 0.429 nan 8.230 nan 0.000 0.441 545 Y N -0.434 119.828 120.300 -0.063 0.000 2.333 545 Y HA -0.213 4.337 4.550 -0.000 0.000 0.290 545 Y C 1.916 177.799 175.900 -0.029 0.000 1.144 545 Y CA 1.602 59.674 58.100 -0.047 0.000 1.228 545 Y CB -0.090 38.344 38.460 -0.043 0.000 0.985 545 Y HN 0.151 nan 8.280 nan 0.000 0.542 546 L N -0.605 120.651 121.223 0.054 0.000 2.023 546 L HA -0.179 4.161 4.340 -0.000 0.000 0.205 546 L C 2.418 179.233 176.870 -0.092 0.000 1.073 546 L CA 1.331 56.159 54.840 -0.020 0.000 0.745 546 L CB -0.748 41.343 42.059 0.053 0.000 0.900 546 L HN 0.175 nan 8.230 nan 0.000 0.435 547 I N 0.274 120.808 120.570 -0.061 0.000 2.181 547 I HA -0.397 3.773 4.170 -0.000 0.000 0.247 547 I C 2.504 178.559 176.117 -0.104 0.000 1.081 547 I CA 1.730 62.986 61.300 -0.073 0.000 1.340 547 I CB -0.160 37.802 38.000 -0.063 0.000 1.036 547 I HN 0.223 nan 8.210 nan 0.000 0.417 548 I N -0.423 120.058 120.570 -0.150 0.000 2.142 548 I HA -0.295 3.875 4.170 -0.000 0.000 0.240 548 I C 2.409 178.414 176.117 -0.186 0.000 1.078 548 I CA 1.375 62.570 61.300 -0.174 0.000 1.343 548 I CB -0.273 37.589 38.000 -0.229 0.000 1.046 548 I HN 0.006 nan 8.210 nan 0.000 0.405 549 V N 0.377 120.126 119.914 -0.275 0.000 2.515 549 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 549 V C 2.406 178.435 176.094 -0.108 0.000 1.058 549 V CA 1.290 63.456 62.300 -0.223 0.000 1.064 549 V CB -0.318 31.332 31.823 -0.288 0.000 0.675 549 V HN 0.248 nan 8.190 nan 0.000 0.461 550 V N 1.069 120.931 119.914 -0.086 0.000 2.282 550 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 550 V C 2.575 178.671 176.094 0.004 0.000 1.057 550 V CA 2.397 64.674 62.300 -0.037 0.000 1.032 550 V CB -1.567 30.229 31.823 -0.045 0.000 0.645 550 V HN 0.593 nan 8.190 nan 0.000 0.447 551 G N -1.103 107.695 108.800 -0.004 0.000 2.505 551 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.214 551 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.214 551 G C 1.556 176.518 174.900 0.103 0.000 1.237 551 G CA 1.061 46.197 45.100 0.060 0.000 0.802 551 G HN 0.252 nan 8.290 nan 0.000 0.549 552 M N 1.196 120.815 119.600 0.030 0.000 2.294 552 M HA -0.344 4.136 4.480 -0.000 0.000 0.249 552 M C 2.653 178.988 176.300 0.059 0.000 1.068 552 M CA 2.424 57.734 55.300 0.017 0.000 1.063 552 M CB -0.960 31.598 32.600 -0.069 0.000 1.315 552 M HN 0.345 nan 8.290 nan 0.000 0.417 553 A N -1.160 121.694 122.820 0.057 0.000 1.828 553 A HA -0.263 4.057 4.320 -0.000 0.000 0.215 553 A C 1.936 179.656 177.584 0.226 0.000 1.203 553 A CA 1.808 53.916 52.037 0.118 0.000 0.614 553 A CB -1.622 17.430 19.000 0.087 0.000 0.844 553 A HN 0.663 nan 8.150 nan 0.000 0.445 554 Y N 0.471 120.819 120.300 0.080 0.000 2.283 554 Y HA -0.185 4.365 4.550 -0.000 0.000 0.285 554 Y C 1.760 177.712 175.900 0.087 0.000 1.176 554 Y CA 1.662 59.804 58.100 0.071 0.000 1.229 554 Y CB -0.190 38.291 38.460 0.035 0.000 0.975 554 Y HN 0.223 nan 8.280 nan 0.000 0.537 555 L N -0.767 120.528 121.223 0.119 0.000 2.622 555 L HA -0.115 4.225 4.340 -0.000 0.000 0.233 555 L C 1.375 178.307 176.870 0.103 0.000 1.156 555 L CA 1.020 55.898 54.840 0.064 0.000 0.866 555 L CB -0.446 41.693 42.059 0.133 0.000 0.980 555 L HN 0.452 nan 8.230 nan 0.000 0.448 556 F N -1.871 118.042 119.950 -0.061 0.000 2.334 556 F HA 0.058 4.585 4.527 -0.000 0.000 0.269 556 F C 1.822 177.597 175.800 -0.042 0.000 0.879 556 F CA 0.283 58.277 58.000 -0.010 0.000 1.102 556 F CB -0.014 38.994 39.000 0.014 0.000 1.032 556 F HN -0.286 nan 8.300 nan 0.000 0.782 557 V N 1.356 121.239 119.914 -0.052 0.000 2.407 557 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 557 V C 2.342 178.304 176.094 -0.220 0.000 1.055 557 V CA 2.310 64.514 62.300 -0.159 0.000 1.049 557 V CB -0.803 31.035 31.823 0.025 0.000 0.662 557 V HN 0.212 nan 8.190 nan 0.000 0.455 558 R N -0.611 119.732 120.500 -0.261 0.000 2.161 558 R HA 0.182 4.522 4.340 -0.000 0.000 0.213 558 R C 0.913 177.076 176.300 -0.228 0.000 1.055 558 R CA 0.266 56.194 56.100 -0.286 0.000 0.996 558 R CB -0.374 29.621 30.300 -0.509 0.000 0.901 558 R HN 0.481 nan 8.270 nan 0.000 0.456 559 L N 3.262 124.353 121.223 -0.221 0.000 2.477 559 L HA 0.167 4.507 4.340 -0.000 0.000 0.272 559 L C -2.002 174.761 176.870 -0.178 0.000 1.157 559 L CA -1.712 53.023 54.840 -0.173 0.000 0.889 559 L CB 0.528 42.508 42.059 -0.131 0.000 1.158 559 L HN 0.066 nan 8.230 nan 0.000 0.473 560 P HA 0.048 nan 4.420 nan 0.000 0.272 560 P C -1.191 176.060 177.300 -0.082 0.000 1.230 560 P CA -0.443 62.595 63.100 -0.103 0.000 0.788 560 P CB 1.252 32.907 31.700 -0.075 0.000 0.949 561 S N 0.634 116.301 115.700 -0.055 0.000 2.474 561 S HA 0.481 4.951 4.470 -0.000 0.000 0.321 561 S C -0.152 174.467 174.600 0.032 0.000 1.080 561 S CA -0.360 57.836 58.200 -0.007 0.000 1.106 561 S CB -0.045 63.149 63.200 -0.010 0.000 0.984 561 S HN 0.402 nan 8.310 nan 0.000 0.464 562 S N 3.316 119.051 115.700 0.058 0.000 2.768 562 S HA 0.603 5.073 4.470 -0.000 0.000 0.300 562 S C 0.040 174.733 174.600 0.155 0.000 1.122 562 S CA -0.584 57.671 58.200 0.091 0.000 0.995 562 S CB 0.825 64.067 63.200 0.069 0.000 1.195 562 S HN 0.761 nan 8.310 nan 0.000 0.547 563 F N -0.054 119.894 119.950 -0.004 0.000 2.482 563 F HA 0.601 5.128 4.527 -0.000 0.000 0.278 563 F C -0.323 175.444 175.800 -0.055 0.000 0.969 563 F CA 0.245 58.224 58.000 -0.034 0.000 1.223 563 F CB 0.185 39.148 39.000 -0.062 0.000 1.140 563 F HN 0.354 nan 8.300 nan 0.000 0.672 564 L N 1.465 122.700 121.223 0.020 0.000 2.482 564 L HA 0.478 4.818 4.340 -0.000 0.000 0.263 564 L C -2.665 174.265 176.870 0.100 0.000 0.957 564 L CA -1.967 52.832 54.840 -0.068 0.000 0.836 564 L CB 1.707 43.692 42.059 -0.124 0.000 1.324 564 L HN -0.064 nan 8.230 nan 0.000 0.406 565 P HA 0.204 nan 4.420 nan 0.000 0.276 565 P C -1.313 176.085 177.300 0.163 0.000 1.235 565 P CA -0.270 62.929 63.100 0.164 0.000 0.772 565 P CB 0.677 32.500 31.700 0.204 0.000 0.871 566 D N 3.204 123.677 120.400 0.122 0.000 2.348 566 D HA 0.119 4.759 4.640 -0.000 0.000 0.253 566 D C 0.472 176.845 176.300 0.121 0.000 1.161 566 D CA 0.307 54.374 54.000 0.113 0.000 0.876 566 D CB 1.217 42.066 40.800 0.083 0.000 1.160 566 D HN 0.480 nan 8.370 nan 0.000 0.459 567 E N 0.737 121.022 120.200 0.143 0.000 2.288 567 E HA 0.217 4.567 4.350 -0.000 0.000 0.268 567 E C -0.615 176.069 176.600 0.141 0.000 0.885 567 E CA -1.016 55.481 56.400 0.163 0.000 0.767 567 E CB 1.780 31.627 29.700 0.245 0.000 1.220 567 E HN 0.119 nan 8.360 nan 0.000 0.427 568 D N 1.403 121.906 120.400 0.173 0.000 2.586 568 D HA -0.131 4.509 4.640 -0.000 0.000 0.234 568 D C -0.066 176.429 176.300 0.325 0.000 1.132 568 D CA 0.980 55.110 54.000 0.216 0.000 0.860 568 D CB 0.838 41.819 40.800 0.301 0.000 1.159 568 D HN 0.508 nan 8.370 nan 0.000 0.490 569 Q N 1.905 121.750 119.800 0.074 0.000 2.189 569 Q HA 0.228 4.568 4.340 -0.000 0.000 0.223 569 Q C 1.092 176.937 176.000 -0.258 0.000 0.828 569 Q CA 0.276 55.977 55.803 -0.171 0.000 0.967 569 Q CB 0.651 29.137 28.738 -0.420 0.000 1.139 569 Q HN 0.809 nan 8.270 nan 0.000 0.497 570 G N 0.721 109.247 108.800 -0.457 0.000 2.153 570 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.252 570 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.252 570 G C -0.140 174.572 174.900 -0.313 0.000 0.994 570 G CA 0.451 45.165 45.100 -0.643 0.000 0.698 570 G HN 0.237 nan 8.290 nan 0.000 0.521 571 V N 0.082 119.871 119.914 -0.209 0.000 2.812 571 V HA 0.545 4.665 4.120 -0.000 0.000 0.280 571 V C -0.316 175.668 176.094 -0.183 0.000 1.324 571 V CA -0.396 61.751 62.300 -0.256 0.000 0.933 571 V CB 1.003 32.561 31.823 -0.442 0.000 1.091 571 V HN 1.082 nan 8.190 nan 0.000 0.455 572 F N 4.576 124.358 119.950 -0.281 0.000 2.764 572 F HA 0.992 5.519 4.527 -0.000 0.000 0.347 572 F C -0.482 175.229 175.800 -0.148 0.000 1.151 572 F CA -1.091 56.776 58.000 -0.223 0.000 1.021 572 F CB 2.120 41.026 39.000 -0.157 0.000 1.438 572 F HN 0.522 nan 8.300 nan 0.000 0.516 573 M N 0.757 120.157 119.600 -0.333 0.000 2.813 573 M HA 0.708 5.188 4.480 -0.000 0.000 0.270 573 M C -1.783 174.245 176.300 -0.453 0.000 1.267 573 M CA -0.532 54.565 55.300 -0.340 0.000 0.822 573 M CB 2.177 34.830 32.600 0.088 0.000 1.671 573 M HN 0.925 nan 8.290 nan 0.000 0.468 574 T N 1.606 116.041 114.554 -0.198 0.000 3.435 574 T HA 0.566 4.916 4.350 -0.000 0.000 0.344 574 T C -1.096 173.604 174.700 -0.001 0.000 1.211 574 T CA -0.790 61.242 62.100 -0.113 0.000 1.104 574 T CB 1.221 70.119 68.868 0.051 0.000 1.196 574 T HN 0.954 nan 8.240 nan 0.000 0.471 575 M N 3.441 123.118 119.600 0.130 0.000 2.654 575 M HA 0.923 5.403 4.480 -0.000 0.000 0.310 575 M C -1.076 175.159 176.300 -0.108 0.000 1.211 575 M CA -0.874 54.469 55.300 0.073 0.000 0.947 575 M CB 1.803 34.544 32.600 0.236 0.000 1.647 575 M HN 0.306 nan 8.290 nan 0.000 0.481 576 V N 0.490 120.323 119.914 -0.135 0.000 2.960 576 V HA 0.763 4.883 4.120 -0.000 0.000 0.315 576 V C -1.006 175.002 176.094 -0.144 0.000 1.087 576 V CA -0.568 61.606 62.300 -0.210 0.000 0.982 576 V CB 1.550 33.246 31.823 -0.212 0.000 1.039 576 V HN 0.947 nan 8.190 nan 0.000 0.437 577 Q N 1.952 121.655 119.800 -0.161 0.000 2.380 577 Q HA 0.522 4.862 4.340 -0.000 0.000 0.245 577 Q C -2.242 173.707 176.000 -0.086 0.000 0.893 577 Q CA -0.254 55.493 55.803 -0.094 0.000 0.922 577 Q CB 1.498 30.195 28.738 -0.069 0.000 1.432 577 Q HN 0.631 nan 8.270 nan 0.000 0.434 578 L N 4.997 126.189 121.223 -0.053 0.000 2.358 578 L HA 0.699 5.039 4.340 -0.000 0.000 0.268 578 L C -1.750 175.111 176.870 -0.015 0.000 1.032 578 L CA -1.883 52.933 54.840 -0.040 0.000 0.805 578 L CB 0.673 42.711 42.059 -0.035 0.000 1.253 578 L HN 0.657 nan 8.230 nan 0.000 0.452 579 P HA 0.049 nan 4.420 nan 0.000 0.306 579 P C -0.827 176.484 177.300 0.018 0.000 1.301 579 P CA -0.481 62.622 63.100 0.006 0.000 0.744 579 P CB 0.268 31.971 31.700 0.006 0.000 1.400 580 A N -0.589 122.247 122.820 0.028 0.000 2.500 580 A HA 0.401 4.721 4.320 -0.000 0.000 0.285 580 A C 1.227 178.847 177.584 0.059 0.000 1.183 580 A CA 0.549 52.613 52.037 0.046 0.000 0.851 580 A CB -2.056 16.977 19.000 0.056 0.000 1.091 580 A HN 0.843 nan 8.150 nan 0.000 0.521 581 G N 1.515 110.350 108.800 0.059 0.000 2.298 581 G HA2 0.178 4.138 3.960 -0.000 0.000 0.287 581 G HA3 0.178 4.138 3.960 -0.000 0.000 0.287 581 G C 0.441 175.372 174.900 0.052 0.000 1.075 581 G CA 0.384 45.525 45.100 0.069 0.000 0.960 581 G HN 2.020 nan 8.290 nan 0.000 0.502 582 A N -0.270 122.568 122.820 0.030 0.000 2.296 582 A HA 0.916 5.236 4.320 -0.000 0.000 0.264 582 A C 1.110 178.702 177.584 0.013 0.000 1.097 582 A CA 0.859 52.905 52.037 0.015 0.000 0.811 582 A CB 0.464 19.463 19.000 -0.001 0.000 1.072 582 A HN 1.825 nan 8.150 nan 0.000 0.495 583 T N -2.118 112.437 114.554 0.002 0.000 2.893 583 T HA 0.356 4.705 4.350 -0.000 0.000 0.279 583 T C 0.891 175.583 174.700 -0.013 0.000 0.991 583 T CA 0.134 62.233 62.100 -0.002 0.000 0.950 583 T CB 0.964 69.829 68.868 -0.006 0.000 1.223 583 T HN 0.644 nan 8.240 nan 0.000 0.585 584 Q N -0.595 119.196 119.800 -0.015 0.000 2.230 584 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 584 Q C 1.998 177.978 176.000 -0.032 0.000 0.963 584 Q CA 0.965 56.755 55.803 -0.022 0.000 0.866 584 Q CB 0.037 28.765 28.738 -0.016 0.000 0.931 584 Q HN 0.766 nan 8.270 nan 0.000 0.452 585 E N 0.220 120.401 120.200 -0.033 0.000 2.230 585 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 585 E C 1.886 178.463 176.600 -0.039 0.000 0.987 585 E CA 0.315 56.693 56.400 -0.038 0.000 0.841 585 E CB 0.181 29.858 29.700 -0.038 0.000 0.783 585 E HN 0.251 nan 8.360 nan 0.000 0.481 586 R N -0.077 120.403 120.500 -0.035 0.000 2.075 586 R HA -0.063 4.277 4.340 -0.000 0.000 0.226 586 R C 2.359 178.629 176.300 -0.049 0.000 1.114 586 R CA 1.575 57.654 56.100 -0.037 0.000 0.972 586 R CB -0.354 29.930 30.300 -0.027 0.000 0.869 586 R HN 0.024 nan 8.270 nan 0.000 0.437 587 T N 0.028 114.552 114.554 -0.051 0.000 2.867 587 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 587 T C 1.686 176.334 174.700 -0.086 0.000 1.057 587 T CA 1.441 63.500 62.100 -0.068 0.000 1.136 587 T CB -0.003 68.830 68.868 -0.059 0.000 0.874 587 T HN 0.185 nan 8.240 nan 0.000 0.466 588 Q N 1.189 120.943 119.800 -0.075 0.000 2.224 588 Q HA 0.025 4.365 4.340 -0.000 0.000 0.203 588 Q C 2.181 178.122 176.000 -0.099 0.000 0.970 588 Q CA 1.488 57.239 55.803 -0.087 0.000 0.865 588 Q CB -0.359 28.339 28.738 -0.067 0.000 0.922 588 Q HN 0.473 nan 8.270 nan 0.000 0.445 589 K N -0.572 119.778 120.400 -0.084 0.000 2.097 589 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 589 K C 1.678 178.210 176.600 -0.114 0.000 1.049 589 K CA 1.414 57.651 56.287 -0.084 0.000 0.933 589 K CB -0.006 32.460 32.500 -0.057 0.000 0.717 589 K HN 0.205 nan 8.250 nan 0.000 0.442 590 V N 1.617 121.460 119.914 -0.119 0.000 2.323 590 V HA -0.221 3.899 4.120 -0.000 0.000 0.244 590 V C 2.399 178.371 176.094 -0.203 0.000 1.041 590 V CA 1.272 63.485 62.300 -0.145 0.000 1.025 590 V CB -0.346 31.389 31.823 -0.147 0.000 0.656 590 V HN 0.223 nan 8.190 nan 0.000 0.451 591 L N 0.653 121.753 121.223 -0.205 0.000 2.187 591 L HA -0.185 4.155 4.340 -0.000 0.000 0.213 591 L C 2.334 179.040 176.870 -0.275 0.000 1.100 591 L CA 1.483 56.181 54.840 -0.236 0.000 0.765 591 L CB -0.707 41.236 42.059 -0.192 0.000 0.904 591 L HN 0.384 nan 8.230 nan 0.000 0.437 592 N N -0.332 118.192 118.700 -0.294 0.000 2.135 592 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 592 N C 1.717 176.742 175.510 -0.807 0.000 1.027 592 N CA 1.187 53.940 53.050 -0.495 0.000 0.849 592 N CB -0.151 38.120 38.487 -0.360 0.000 1.002 592 N HN 0.431 nan 8.380 nan 0.000 0.425 593 E N 0.507 120.446 120.200 -0.435 0.000 2.118 593 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 593 E C 1.915 178.475 176.600 -0.068 0.000 0.992 593 E CA 0.823 57.095 56.400 -0.212 0.000 0.804 593 E CB 0.076 29.747 29.700 -0.047 0.000 0.741 593 E HN 0.109 nan 8.360 nan 0.000 0.458 594 V N 0.923 120.739 119.914 -0.163 0.000 2.379 594 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 594 V C 2.273 178.192 176.094 -0.292 0.000 1.044 594 V CA 1.954 64.144 62.300 -0.185 0.000 1.036 594 V CB -0.619 30.911 31.823 -0.488 0.000 0.664 594 V HN 0.289 nan 8.190 nan 0.000 0.453 595 T N -0.944 113.453 114.554 -0.262 0.000 2.849 595 T HA -0.205 4.145 4.350 -0.000 0.000 0.270 595 T C 1.751 176.567 174.700 0.193 0.000 1.066 595 T CA 1.739 63.780 62.100 -0.099 0.000 1.130 595 T CB -0.288 68.538 68.868 -0.070 0.000 0.864 595 T HN 0.536 nan 8.240 nan 0.000 0.481 596 H N -0.583 118.515 119.070 0.047 0.000 2.329 596 H HA 0.147 4.702 4.556 -0.000 0.000 0.306 596 H C 1.832 177.270 175.328 0.184 0.000 1.062 596 H CA 0.481 56.584 56.048 0.092 0.000 1.364 596 H CB -1.138 28.666 29.762 0.070 0.000 1.409 596 H HN 0.390 nan 8.280 nan 0.000 0.519 597 Y N 0.770 121.232 120.300 0.270 0.000 2.173 597 Y HA -0.397 4.153 4.550 -0.000 0.000 0.282 597 Y C 1.787 177.933 175.900 0.410 0.000 1.192 597 Y CA 1.721 59.992 58.100 0.285 0.000 1.176 597 Y CB -0.257 38.378 38.460 0.292 0.000 0.969 597 Y HN 0.127 nan 8.280 nan 0.000 0.519 598 Y N -1.165 119.326 120.300 0.318 0.000 2.269 598 Y HA -0.081 4.469 4.550 -0.000 0.000 0.294 598 Y C 2.200 178.156 175.900 0.093 0.000 1.120 598 Y CA 0.919 59.153 58.100 0.223 0.000 1.159 598 Y CB -0.825 37.770 38.460 0.225 0.000 1.024 598 Y HN 0.122 nan 8.280 nan 0.000 0.532 599 L N -1.418 119.949 121.223 0.241 0.000 2.162 599 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 599 L C 2.471 179.359 176.870 0.029 0.000 1.086 599 L CA 1.716 56.614 54.840 0.097 0.000 0.778 599 L CB -0.447 41.646 42.059 0.057 0.000 0.928 599 L HN 0.185 nan 8.230 nan 0.000 0.446 600 T N -0.929 113.636 114.554 0.018 0.000 2.980 600 T HA -0.032 4.318 4.350 -0.000 0.000 0.239 600 T C 1.575 176.227 174.700 -0.079 0.000 1.011 600 T CA 0.477 62.555 62.100 -0.036 0.000 1.171 600 T CB 0.136 68.976 68.868 -0.047 0.000 0.873 600 T HN 0.094 nan 8.240 nan 0.000 0.431 601 K N 0.793 121.104 120.400 -0.149 0.000 2.522 601 K HA 0.198 4.518 4.320 -0.000 0.000 0.194 601 K C 0.232 176.660 176.600 -0.286 0.000 1.026 601 K CA 0.295 56.403 56.287 -0.298 0.000 1.119 601 K CB 0.287 32.420 32.500 -0.613 0.000 0.856 601 K HN 0.363 nan 8.250 nan 0.000 0.513 602 E N 0.263 120.380 120.200 -0.138 0.000 4.071 602 E HA 0.088 4.438 4.350 -0.000 0.000 0.230 602 E C -0.109 176.473 176.600 -0.031 0.000 1.138 602 E CA 0.019 56.368 56.400 -0.085 0.000 1.388 602 E CB 0.312 29.971 29.700 -0.069 0.000 1.220 602 E HN -0.036 nan 8.360 nan 0.000 0.404 603 K N -0.213 120.167 120.400 -0.033 0.000 1.980 603 K HA 0.021 4.341 4.320 -0.000 0.000 0.208 603 K C 0.614 177.205 176.600 -0.014 0.000 1.043 603 K CA 1.096 57.373 56.287 -0.016 0.000 0.938 603 K CB -0.078 32.410 32.500 -0.021 0.000 0.724 603 K HN 0.115 nan 8.250 nan 0.000 0.438 604 N N 1.354 120.042 118.700 -0.020 0.000 2.893 604 N HA -0.119 4.621 4.740 -0.000 0.000 0.214 604 N C -0.019 175.480 175.510 -0.017 0.000 1.753 604 N CA 0.541 53.581 53.050 -0.016 0.000 0.970 604 N CB -0.264 38.212 38.487 -0.018 0.000 1.373 604 N HN 0.301 nan 8.380 nan 0.000 0.519 605 N N -2.617 116.073 118.700 -0.017 0.000 2.565 605 N HA -0.045 4.695 4.740 -0.000 0.000 0.328 605 N C -1.083 174.419 175.510 -0.013 0.000 0.599 605 N CA -0.117 52.919 53.050 -0.023 0.000 1.240 605 N CB 0.521 38.986 38.487 -0.036 0.000 1.951 605 N HN -0.166 nan 8.380 nan 0.000 1.657 606 V N 3.497 123.412 119.914 0.001 0.000 2.415 606 V HA 0.078 4.198 4.120 -0.000 0.000 0.267 606 V C 1.076 177.186 176.094 0.027 0.000 1.042 606 V CA 0.706 63.023 62.300 0.028 0.000 1.000 606 V CB 1.242 33.105 31.823 0.066 0.000 1.015 606 V HN 0.342 nan 8.190 nan 0.000 0.478 607 E N 3.290 123.504 120.200 0.024 0.000 2.076 607 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 607 E C 0.884 177.511 176.600 0.045 0.000 0.979 607 E CA 1.127 57.546 56.400 0.032 0.000 0.807 607 E CB 0.357 30.076 29.700 0.031 0.000 0.761 607 E HN 0.828 nan 8.360 nan 0.000 0.454 608 S N -1.115 114.624 115.700 0.064 0.000 2.560 608 S HA 0.475 4.945 4.470 -0.000 0.000 0.283 608 S C -0.667 173.997 174.600 0.107 0.000 1.141 608 S CA -0.657 57.573 58.200 0.050 0.000 0.902 608 S CB 0.776 64.091 63.200 0.192 0.000 1.104 608 S HN -0.121 nan 8.310 nan 0.000 0.454 609 V N 1.985 121.926 119.914 0.045 0.000 3.302 609 V HA 0.813 4.933 4.120 -0.000 0.000 0.316 609 V C -0.521 175.747 176.094 0.290 0.000 1.111 609 V CA -0.791 61.598 62.300 0.148 0.000 1.029 609 V CB 1.261 33.140 31.823 0.093 0.000 1.170 609 V HN 1.026 nan 8.190 nan 0.000 0.452 610 F N 0.807 120.831 119.950 0.124 0.000 3.098 610 F HA 0.677 5.204 4.527 -0.000 0.000 0.403 610 F C 0.183 175.975 175.800 -0.014 0.000 1.195 610 F CA -0.372 57.721 58.000 0.156 0.000 1.220 610 F CB -0.116 39.024 39.000 0.233 0.000 2.443 610 F HN 0.700 nan 8.300 nan 0.000 0.632 611 A N 1.767 124.451 122.820 -0.227 0.000 2.406 611 A HA 0.704 5.024 4.320 -0.000 0.000 0.243 611 A C -0.790 176.581 177.584 -0.355 0.000 1.082 611 A CA -0.194 51.693 52.037 -0.252 0.000 0.786 611 A CB 0.829 19.706 19.000 -0.204 0.000 1.029 611 A HN 0.616 nan 8.150 nan 0.000 0.495 612 V N 2.585 122.349 119.914 -0.249 0.000 2.610 612 V HA 0.169 4.289 4.120 -0.000 0.000 0.288 612 V C -0.277 175.751 176.094 -0.110 0.000 1.055 612 V CA -0.625 61.572 62.300 -0.171 0.000 0.902 612 V CB 1.427 33.186 31.823 -0.106 0.000 1.030 612 V HN 1.024 nan 8.190 nan 0.000 0.448 613 N N 3.594 122.240 118.700 -0.090 0.000 2.408 613 N HA 0.498 5.238 4.740 -0.000 0.000 0.257 613 N C 0.786 176.281 175.510 -0.025 0.000 1.064 613 N CA 0.771 53.781 53.050 -0.066 0.000 0.952 613 N CB 1.001 39.445 38.487 -0.072 0.000 1.093 613 N HN 1.054 nan 8.380 nan 0.000 0.490 614 G N 3.440 112.238 108.800 -0.003 0.000 2.145 614 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.145 614 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.145 614 G C -0.531 174.431 174.900 0.103 0.000 1.017 614 G CA -0.431 44.684 45.100 0.025 0.000 0.682 614 G HN 0.622 nan 8.290 nan 0.000 0.504 615 F N 1.192 121.076 119.950 -0.110 0.000 3.034 615 F HA 0.550 5.077 4.527 -0.000 0.000 0.371 615 F C 0.533 176.268 175.800 -0.109 0.000 1.233 615 F CA -0.426 57.493 58.000 -0.135 0.000 1.134 615 F CB 0.672 39.550 39.000 -0.204 0.000 1.495 615 F HN 0.265 nan 8.300 nan 0.000 0.563 616 G N 2.273 111.071 108.800 -0.003 0.000 2.557 616 G HA2 0.214 4.174 3.960 -0.000 0.000 0.292 616 G HA3 0.214 4.174 3.960 -0.000 0.000 0.292 616 G C -0.559 174.207 174.900 -0.223 0.000 1.237 616 G CA -0.352 44.691 45.100 -0.095 0.000 0.978 616 G HN 0.608 nan 8.290 nan 0.000 0.498 617 F N 0.147 120.072 119.950 -0.041 0.000 2.695 617 F HA 0.315 4.842 4.527 -0.000 0.000 0.303 617 F C 2.271 178.106 175.800 0.057 0.000 1.091 617 F CA 0.125 58.135 58.000 0.015 0.000 1.300 617 F CB 0.452 39.483 39.000 0.052 0.000 1.071 617 F HN 0.430 nan 8.300 nan 0.000 0.578 618 A N -0.312 122.637 122.820 0.215 0.000 1.854 618 A HA 0.388 4.708 4.320 -0.000 0.000 0.214 618 A C 1.911 179.582 177.584 0.146 0.000 1.192 618 A CA 1.858 53.990 52.037 0.157 0.000 0.611 618 A CB -0.867 18.202 19.000 0.114 0.000 0.832 618 A HN 0.420 nan 8.150 nan 0.000 0.442 619 G N -1.837 107.043 108.800 0.133 0.000 3.403 619 G HA2 0.471 4.431 3.960 -0.000 0.000 0.156 619 G HA3 0.471 4.431 3.960 -0.000 0.000 0.156 619 G C -0.436 174.564 174.900 0.167 0.000 1.210 619 G CA 0.116 45.297 45.100 0.135 0.000 1.452 619 G HN 0.720 nan 8.290 nan 0.000 0.720 620 R N -1.537 119.033 120.500 0.117 0.000 2.829 620 R HA 0.741 5.081 4.340 -0.000 0.000 0.267 620 R C -0.105 176.231 176.300 0.060 0.000 1.051 620 R CA -0.320 55.848 56.100 0.113 0.000 0.927 620 R CB 0.895 31.230 30.300 0.058 0.000 1.292 620 R HN 2.149 nan 8.270 nan 0.000 0.445 621 G N -0.427 108.397 108.800 0.041 0.000 2.371 621 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.663 621 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.663 621 G C -0.453 174.460 174.900 0.022 0.000 1.311 621 G CA -0.411 44.705 45.100 0.027 0.000 0.985 621 G HN 0.532 nan 8.290 nan 0.000 0.566 622 Q N -0.198 119.612 119.800 0.017 0.000 2.435 622 Q HA 0.002 4.342 4.340 -0.000 0.000 0.207 622 Q C 1.914 177.915 176.000 0.001 0.000 0.956 622 Q CA 1.016 56.823 55.803 0.008 0.000 0.917 622 Q CB 0.025 28.769 28.738 0.009 0.000 0.997 622 Q HN 0.465 nan 8.270 nan 0.000 0.497 623 N N 1.042 119.746 118.700 0.008 0.000 2.270 623 N HA -0.070 4.670 4.740 -0.000 0.000 0.181 623 N C 1.144 176.646 175.510 -0.014 0.000 1.016 623 N CA 1.361 54.411 53.050 0.000 0.000 0.870 623 N CB -0.216 38.278 38.487 0.012 0.000 0.979 623 N HN 0.353 nan 8.380 nan 0.000 0.431 624 T N -2.419 112.133 114.554 -0.002 0.000 2.849 624 T HA 0.743 5.093 4.350 -0.000 0.000 0.276 624 T C 0.568 175.248 174.700 -0.033 0.000 0.971 624 T CA -0.404 61.691 62.100 -0.009 0.000 0.949 624 T CB 1.815 70.698 68.868 0.025 0.000 1.093 624 T HN 0.202 nan 8.240 nan 0.000 0.545 625 G N -0.781 107.986 108.800 -0.055 0.000 2.488 625 G HA2 0.580 4.540 3.960 -0.000 0.000 0.301 625 G HA3 0.580 4.540 3.960 -0.000 0.000 0.301 625 G C -2.000 172.832 174.900 -0.112 0.000 1.339 625 G CA -0.464 44.584 45.100 -0.087 0.000 0.803 625 G HN 1.179 nan 8.290 nan 0.000 0.482 626 I N -0.892 119.593 120.570 -0.141 0.000 2.728 626 I HA 0.630 4.800 4.170 -0.000 0.000 0.286 626 I C -1.061 174.961 176.117 -0.158 0.000 1.623 626 I CA -0.169 61.060 61.300 -0.118 0.000 1.048 626 I CB 1.533 39.450 38.000 -0.138 0.000 1.474 626 I HN 1.459 nan 8.210 nan 0.000 0.439 627 A N 6.744 129.520 122.820 -0.074 0.000 2.303 627 A HA 0.812 5.132 4.320 -0.000 0.000 0.320 627 A C -1.492 176.228 177.584 0.226 0.000 1.192 627 A CA -0.330 51.685 52.037 -0.036 0.000 0.821 627 A CB 0.528 19.449 19.000 -0.132 0.000 1.188 627 A HN 0.435 nan 8.150 nan 0.000 0.492 628 F N 2.879 122.910 119.950 0.135 0.000 2.371 628 F HA 0.419 4.946 4.527 -0.000 0.000 0.363 628 F C 0.370 176.223 175.800 0.089 0.000 1.122 628 F CA -1.055 57.053 58.000 0.179 0.000 1.129 628 F CB 1.143 40.326 39.000 0.304 0.000 1.173 628 F HN 0.319 nan 8.300 nan 0.000 0.489 629 V N 1.715 121.648 119.914 0.031 0.000 2.863 629 V HA 0.644 4.764 4.120 -0.000 0.000 0.307 629 V C 0.128 176.175 176.094 -0.077 0.000 1.061 629 V CA -0.810 61.422 62.300 -0.114 0.000 1.024 629 V CB 1.729 33.178 31.823 -0.623 0.000 1.049 629 V HN 0.701 nan 8.190 nan 0.000 0.471 630 S N 2.584 118.281 115.700 -0.004 0.000 2.571 630 S HA 0.535 5.005 4.470 -0.000 0.000 0.238 630 S C -0.846 173.749 174.600 -0.008 0.000 1.153 630 S CA -0.577 57.619 58.200 -0.007 0.000 1.141 630 S CB 0.035 63.278 63.200 0.072 0.000 1.133 630 S HN 0.580 nan 8.310 nan 0.000 0.464 631 L N 2.904 124.100 121.223 -0.046 0.000 2.464 631 L HA 0.466 4.806 4.340 -0.000 0.000 0.264 631 L C 0.853 177.656 176.870 -0.111 0.000 1.199 631 L CA -0.586 54.219 54.840 -0.057 0.000 0.818 631 L CB 0.370 42.385 42.059 -0.073 0.000 1.102 631 L HN 0.390 nan 8.230 nan 0.000 0.473 632 K N 2.250 122.599 120.400 -0.085 0.000 2.298 632 K HA 0.047 4.367 4.320 -0.000 0.000 0.280 632 K C -0.512 176.002 176.600 -0.143 0.000 1.032 632 K CA -0.337 55.904 56.287 -0.077 0.000 0.958 632 K CB 0.584 33.065 32.500 -0.032 0.000 0.978 632 K HN 0.660 nan 8.250 nan 0.000 0.472 633 D N 2.390 122.707 120.400 -0.137 0.000 2.474 633 D HA -0.182 4.458 4.640 -0.000 0.000 0.232 633 D C 0.667 176.927 176.300 -0.067 0.000 1.177 633 D CA 0.220 54.105 54.000 -0.192 0.000 0.876 633 D CB 0.342 41.130 40.800 -0.020 0.000 1.208 633 D HN 0.505 nan 8.370 nan 0.000 0.464 634 W N 1.153 122.484 121.300 0.051 0.000 2.465 634 W HA 0.162 4.822 4.660 -0.000 0.000 0.268 634 W C 2.408 178.948 176.519 0.035 0.000 1.242 634 W CA 0.693 58.066 57.345 0.047 0.000 1.248 634 W CB -1.159 28.339 29.460 0.063 0.000 1.118 634 W HN 0.577 nan 8.180 nan 0.000 0.587 635 A N 1.146 124.129 122.820 0.271 0.000 1.872 635 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 635 A C 1.457 179.104 177.584 0.104 0.000 1.187 635 A CA 1.855 53.988 52.037 0.160 0.000 0.614 635 A CB -0.979 18.101 19.000 0.133 0.000 0.826 635 A HN 0.219 nan 8.150 nan 0.000 0.442 636 D N -1.389 119.061 120.400 0.083 0.000 2.378 636 D HA -0.004 4.635 4.640 -0.000 0.000 0.222 636 D C 1.147 177.474 176.300 0.044 0.000 0.980 636 D CA 0.541 54.571 54.000 0.051 0.000 0.907 636 D CB 0.088 40.908 40.800 0.033 0.000 0.899 636 D HN 0.202 nan 8.370 nan 0.000 0.527 637 R N 0.468 121.008 120.500 0.065 0.000 2.651 637 R HA 0.134 4.474 4.340 -0.000 0.000 0.282 637 R C -2.144 174.206 176.300 0.084 0.000 1.565 637 R CA -1.269 54.864 56.100 0.054 0.000 1.661 637 R CB 0.967 31.286 30.300 0.032 0.000 1.189 637 R HN 0.043 nan 8.270 nan 0.000 0.621 638 P HA 0.061 nan 4.420 nan 0.000 0.216 638 P C 0.861 178.194 177.300 0.055 0.000 1.154 638 P CA 0.549 63.689 63.100 0.067 0.000 0.857 638 P CB 0.226 31.955 31.700 0.047 0.000 0.787 639 G N 0.335 109.156 108.800 0.036 0.000 2.684 639 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.255 639 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.255 639 G C 0.837 175.752 174.900 0.025 0.000 1.219 639 G CA -0.215 44.899 45.100 0.024 0.000 0.901 639 G HN 0.077 nan 8.290 nan 0.000 0.548 640 E N -0.502 119.706 120.200 0.014 0.000 2.208 640 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 640 E C 2.070 178.669 176.600 -0.002 0.000 0.988 640 E CA 0.656 57.062 56.400 0.009 0.000 0.828 640 E CB 0.210 29.911 29.700 0.001 0.000 0.763 640 E HN 0.507 nan 8.360 nan 0.000 0.478 641 E N 0.552 120.749 120.200 -0.006 0.000 2.076 641 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 641 E C 1.766 178.351 176.600 -0.025 0.000 0.979 641 E CA 0.618 57.008 56.400 -0.018 0.000 0.807 641 E CB -0.703 28.988 29.700 -0.015 0.000 0.761 641 E HN 0.224 nan 8.360 nan 0.000 0.454 642 N N 1.011 119.704 118.700 -0.012 0.000 2.192 642 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 642 N C 0.937 176.438 175.510 -0.015 0.000 1.013 642 N CA 0.996 54.039 53.050 -0.011 0.000 0.863 642 N CB -0.026 38.469 38.487 0.013 0.000 0.990 642 N HN 0.015 nan 8.380 nan 0.000 0.430 643 K N 0.894 121.295 120.400 0.001 0.000 2.154 643 K HA 0.089 4.409 4.320 -0.000 0.000 0.264 643 K C 0.986 177.556 176.600 -0.051 0.000 1.008 643 K CA -0.079 56.218 56.287 0.017 0.000 0.937 643 K CB 1.198 33.734 32.500 0.060 0.000 1.002 643 K HN -0.191 nan 8.250 nan 0.000 0.469 644 V N 2.722 122.594 119.914 -0.069 0.000 2.469 644 V HA -0.235 3.885 4.120 -0.000 0.000 0.251 644 V C 2.324 178.303 176.094 -0.192 0.000 1.064 644 V CA 2.338 64.516 62.300 -0.202 0.000 1.066 644 V CB -0.793 30.921 31.823 -0.182 0.000 0.667 644 V HN 0.884 nan 8.190 nan 0.000 0.461 645 E N 1.425 121.573 120.200 -0.087 0.000 2.085 645 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 645 E C 2.040 178.593 176.600 -0.079 0.000 0.994 645 E CA 2.033 58.395 56.400 -0.063 0.000 0.801 645 E CB -0.473 29.214 29.700 -0.021 0.000 0.743 645 E HN 0.531 nan 8.360 nan 0.000 0.453 646 A N 0.125 122.899 122.820 -0.076 0.000 2.016 646 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 646 A C 2.287 179.811 177.584 -0.101 0.000 1.162 646 A CA 0.881 52.877 52.037 -0.069 0.000 0.662 646 A CB -0.431 18.542 19.000 -0.045 0.000 0.812 646 A HN 0.353 nan 8.150 nan 0.000 0.450 647 I N 0.391 120.856 120.570 -0.175 0.000 2.252 647 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 647 I C 2.168 178.123 176.117 -0.269 0.000 1.102 647 I CA 1.756 62.909 61.300 -0.245 0.000 1.385 647 I CB -0.549 37.207 38.000 -0.406 0.000 1.064 647 I HN 0.457 nan 8.210 nan 0.000 0.414 648 T N -1.996 112.363 114.554 -0.325 0.000 3.434 648 T HA 0.145 4.495 4.350 -0.000 0.000 0.249 648 T C 1.216 175.882 174.700 -0.055 0.000 1.050 648 T CA 0.105 62.092 62.100 -0.188 0.000 0.952 648 T CB 0.257 69.007 68.868 -0.197 0.000 1.046 648 T HN 0.096 nan 8.240 nan 0.000 0.590 649 M N 1.381 120.942 119.600 -0.064 0.000 3.049 649 M HA 0.263 4.743 4.480 -0.000 0.000 0.234 649 M C 2.281 178.561 176.300 -0.034 0.000 1.632 649 M CA 0.813 56.094 55.300 -0.031 0.000 1.259 649 M CB 0.068 32.648 32.600 -0.033 0.000 1.199 649 M HN 0.404 nan 8.290 nan 0.000 0.580 650 R N 0.056 120.536 120.500 -0.033 0.000 2.236 650 R HA 0.276 4.616 4.340 -0.000 0.000 0.208 650 R C 1.816 178.039 176.300 -0.130 0.000 1.036 650 R CA 1.111 57.200 56.100 -0.019 0.000 1.001 650 R CB -0.641 29.693 30.300 0.057 0.000 0.896 650 R HN 0.203 nan 8.270 nan 0.000 0.464 651 A N 1.721 124.421 122.820 -0.199 0.000 1.872 651 A HA -0.123 4.197 4.320 -0.000 0.000 0.214 651 A C 2.309 179.521 177.584 -0.620 0.000 1.187 651 A CA 1.635 53.336 52.037 -0.561 0.000 0.614 651 A CB -1.074 17.862 19.000 -0.106 0.000 0.826 651 A HN 0.506 nan 8.150 nan 0.000 0.442 652 T N -1.735 112.753 114.554 -0.110 0.000 2.881 652 T HA -0.176 4.174 4.350 -0.000 0.000 0.270 652 T C 1.930 176.626 174.700 -0.007 0.000 1.068 652 T CA 1.378 63.539 62.100 0.102 0.000 1.131 652 T CB -0.336 68.639 68.868 0.178 0.000 0.871 652 T HN 0.505 nan 8.240 nan 0.000 0.479 653 R N 1.340 121.780 120.500 -0.100 0.000 2.075 653 R HA 0.088 4.428 4.340 -0.000 0.000 0.232 653 R C 2.691 178.914 176.300 -0.128 0.000 1.126 653 R CA 1.262 57.320 56.100 -0.071 0.000 0.963 653 R CB -0.663 29.607 30.300 -0.051 0.000 0.858 653 R HN 0.473 nan 8.270 nan 0.000 0.435 654 A N 0.129 122.747 122.820 -0.337 0.000 1.930 654 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 654 A C 1.721 179.146 177.584 -0.266 0.000 1.175 654 A CA 0.959 52.775 52.037 -0.368 0.000 0.627 654 A CB -0.463 18.121 19.000 -0.693 0.000 0.815 654 A HN 0.356 nan 8.150 nan 0.000 0.443 655 F N 0.959 120.859 119.950 -0.083 0.000 2.456 655 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 655 F C 2.165 177.954 175.800 -0.018 0.000 1.104 655 F CA 0.875 58.839 58.000 -0.060 0.000 1.435 655 F CB -0.417 38.541 39.000 -0.071 0.000 1.078 655 F HN 0.257 nan 8.300 nan 0.000 0.546 656 S N -0.959 114.832 115.700 0.153 0.000 2.582 656 S HA 0.254 4.724 4.470 -0.000 0.000 0.249 656 S C 0.897 175.537 174.600 0.067 0.000 1.072 656 S CA -0.306 57.964 58.200 0.117 0.000 1.115 656 S CB 0.198 63.479 63.200 0.135 0.000 0.790 656 S HN 0.315 nan 8.310 nan 0.000 0.459 657 Q N 0.541 120.373 119.800 0.055 0.000 2.232 657 Q HA 0.295 4.635 4.340 -0.000 0.000 0.167 657 Q C 0.709 176.733 176.000 0.040 0.000 0.632 657 Q CA 0.564 56.389 55.803 0.036 0.000 0.873 657 Q CB 0.257 29.005 28.738 0.017 0.000 1.172 657 Q HN 0.755 nan 8.270 nan 0.000 0.381 658 I N -0.686 119.912 120.570 0.047 0.000 3.626 658 I HA 0.480 4.650 4.170 -0.000 0.000 0.345 658 I C -0.298 175.855 176.117 0.061 0.000 1.502 658 I CA -0.130 61.201 61.300 0.052 0.000 1.135 658 I CB 0.257 38.293 38.000 0.060 0.000 1.456 658 I HN -0.109 nan 8.210 nan 0.000 0.460 659 K N 1.106 121.539 120.400 0.055 0.000 2.507 659 K HA 0.363 4.683 4.320 -0.000 0.000 0.284 659 K C -0.864 175.752 176.600 0.026 0.000 1.038 659 K CA -0.512 55.801 56.287 0.044 0.000 0.903 659 K CB 1.753 34.290 32.500 0.063 0.000 1.531 659 K HN 0.328 nan 8.250 nan 0.000 0.430 660 D N -0.485 119.920 120.400 0.009 0.000 2.692 660 D HA 0.296 4.936 4.640 -0.000 0.000 0.290 660 D C -0.223 176.071 176.300 -0.009 0.000 1.455 660 D CA -0.196 53.806 54.000 0.004 0.000 0.796 660 D CB 0.969 41.770 40.800 0.002 0.000 1.131 660 D HN 0.398 nan 8.370 nan 0.000 0.467 661 A N 0.347 123.153 122.820 -0.024 0.000 4.069 661 A HA 0.811 5.131 4.320 -0.000 0.000 0.188 661 A C -1.241 176.298 177.584 -0.075 0.000 0.718 661 A CA -0.625 51.383 52.037 -0.049 0.000 0.753 661 A CB 1.079 20.035 19.000 -0.073 0.000 1.566 661 A HN 0.085 nan 8.150 nan 0.000 0.836 662 M N 1.027 120.531 119.600 -0.160 0.000 2.124 662 M HA 0.516 4.996 4.480 -0.000 0.000 0.280 662 M C -1.720 174.254 176.300 -0.543 0.000 0.954 662 M CA -0.216 54.900 55.300 -0.307 0.000 0.958 662 M CB 2.082 34.520 32.600 -0.271 0.000 1.611 662 M HN 0.339 nan 8.290 nan 0.000 0.449 663 V N 3.053 122.621 119.914 -0.576 0.000 2.709 663 V HA 0.666 4.786 4.120 -0.000 0.000 0.308 663 V C -0.850 174.984 176.094 -0.433 0.000 1.062 663 V CA -0.670 61.247 62.300 -0.640 0.000 0.901 663 V CB 1.797 33.175 31.823 -0.742 0.000 1.003 663 V HN 0.667 nan 8.190 nan 0.000 0.425 664 F N 1.011 121.004 119.950 0.071 0.000 3.064 664 F HA 1.010 5.536 4.527 -0.000 0.000 0.322 664 F C 0.480 176.428 175.800 0.248 0.000 1.463 664 F CA -0.780 57.347 58.000 0.211 0.000 1.044 664 F CB 0.653 39.799 39.000 0.243 0.000 1.743 664 F HN 0.773 nan 8.300 nan 0.000 0.423 665 A N -0.016 123.120 122.820 0.526 0.000 2.592 665 A HA 0.594 4.914 4.320 -0.000 0.000 0.300 665 A C -2.174 175.583 177.584 0.288 0.000 0.994 665 A CA -0.753 51.440 52.037 0.260 0.000 0.707 665 A CB 0.060 19.285 19.000 0.374 0.000 1.273 665 A HN 0.985 nan 8.150 nan 0.000 0.413 666 F N 0.527 120.653 119.950 0.294 0.000 2.635 666 F HA 0.562 5.089 4.527 -0.000 0.000 0.314 666 F C -0.031 175.865 175.800 0.161 0.000 1.119 666 F CA -1.081 57.019 58.000 0.167 0.000 1.000 666 F CB 0.962 40.040 39.000 0.130 0.000 1.278 666 F HN 0.646 nan 8.300 nan 0.000 0.446 667 N N 3.473 122.313 118.700 0.233 0.000 2.359 667 N HA 0.008 4.748 4.740 -0.000 0.000 0.261 667 N C -0.581 175.089 175.510 0.267 0.000 1.267 667 N CA -0.164 52.988 53.050 0.169 0.000 0.864 667 N CB 1.089 39.634 38.487 0.097 0.000 1.063 667 N HN 0.829 nan 8.380 nan 0.000 0.474 668 L N 2.506 123.857 121.223 0.214 0.000 2.597 668 L HA 0.093 4.433 4.340 -0.000 0.000 0.271 668 L C -1.752 175.189 176.870 0.119 0.000 1.157 668 L CA -1.550 53.414 54.840 0.206 0.000 0.928 668 L CB -0.326 41.793 42.059 0.101 0.000 1.216 668 L HN 0.330 nan 8.230 nan 0.000 0.481 669 P HA -0.012 nan 4.420 nan 0.000 0.257 669 P C 0.569 177.881 177.300 0.021 0.000 1.227 669 P CA 0.107 63.233 63.100 0.042 0.000 0.981 669 P CB 0.931 32.627 31.700 -0.007 0.000 1.044 670 A N 6.040 128.884 122.820 0.040 0.000 1.859 670 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 670 A C 1.348 178.847 177.584 -0.141 0.000 1.209 670 A CA 1.507 53.562 52.037 0.030 0.000 0.639 670 A CB -1.535 17.551 19.000 0.144 0.000 0.835 670 A HN 0.568 nan 8.150 nan 0.000 0.450 671 I N -2.429 118.057 120.570 -0.140 0.000 3.178 671 I HA -0.280 3.890 4.170 -0.000 0.000 0.137 671 I C 0.523 176.534 176.117 -0.175 0.000 1.293 671 I CA 1.044 62.268 61.300 -0.127 0.000 0.585 671 I CB -1.243 36.758 38.000 0.002 0.000 1.645 671 I HN 0.218 nan 8.210 nan 0.000 0.993 672 V N -0.297 119.546 119.914 -0.117 0.000 3.019 672 V HA 0.160 4.280 4.120 -0.000 0.000 0.317 672 V C 0.985 177.021 176.094 -0.096 0.000 1.094 672 V CA -0.215 62.023 62.300 -0.104 0.000 1.000 672 V CB 1.472 33.236 31.823 -0.099 0.000 1.060 672 V HN 0.782 nan 8.190 nan 0.000 0.443 673 E N 1.513 121.663 120.200 -0.084 0.000 2.149 673 E HA -0.237 4.113 4.350 -0.000 0.000 0.215 673 E C 0.712 177.257 176.600 -0.091 0.000 1.055 673 E CA 2.322 58.667 56.400 -0.091 0.000 0.870 673 E CB -0.405 29.249 29.700 -0.075 0.000 0.764 673 E HN 0.584 nan 8.360 nan 0.000 0.463 674 L N -3.773 117.395 121.223 -0.092 0.000 2.468 674 L HA 0.576 4.916 4.340 -0.000 0.000 0.254 674 L C 0.983 177.753 176.870 -0.167 0.000 1.171 674 L CA -0.228 54.551 54.840 -0.101 0.000 0.809 674 L CB 0.837 42.847 42.059 -0.082 0.000 1.155 674 L HN 0.183 nan 8.230 nan 0.000 0.473 675 G N -0.136 108.564 108.800 -0.166 0.000 2.417 675 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.291 675 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.291 675 G C 0.529 175.337 174.900 -0.153 0.000 1.094 675 G CA 0.408 45.369 45.100 -0.233 0.000 1.146 675 G HN 1.274 nan 8.290 nan 0.000 0.519 676 T N -1.977 112.525 114.554 -0.086 0.000 2.904 676 T HA 0.462 4.812 4.350 -0.000 0.000 0.267 676 T C 1.533 176.221 174.700 -0.020 0.000 1.059 676 T CA 1.533 63.604 62.100 -0.048 0.000 1.137 676 T CB -0.070 68.766 68.868 -0.055 0.000 0.879 676 T HN 2.530 nan 8.240 nan 0.000 0.467 677 A N 1.222 124.026 122.820 -0.027 0.000 2.435 677 A HA 0.268 4.588 4.320 -0.000 0.000 0.686 677 A C 0.867 178.447 177.584 -0.007 0.000 0.138 677 A CA 0.742 52.776 52.037 -0.005 0.000 0.025 677 A CB -2.359 16.661 19.000 0.034 0.000 3.974 677 A HN 2.319 nan 8.150 nan 0.000 0.548 678 T N -1.336 113.215 114.554 -0.006 0.000 3.882 678 T HA 0.315 4.665 4.350 -0.000 0.000 0.366 678 T C 1.340 176.033 174.700 -0.011 0.000 0.760 678 T CA 2.196 64.292 62.100 -0.007 0.000 1.931 678 T CB -2.243 66.615 68.868 -0.016 0.000 1.807 678 T HN 3.101 nan 8.240 nan 0.000 0.790 679 G N 0.246 109.051 108.800 0.009 0.000 2.677 679 G HA2 0.712 4.672 3.960 -0.000 0.000 0.291 679 G HA3 0.712 4.672 3.960 -0.000 0.000 0.291 679 G C -0.983 173.981 174.900 0.106 0.000 1.435 679 G CA -0.556 44.538 45.100 -0.010 0.000 0.826 679 G HN 1.200 nan 8.290 nan 0.000 0.491 680 F N -0.551 119.415 119.950 0.026 0.000 2.639 680 F HA 0.898 5.425 4.527 -0.000 0.000 0.339 680 F C -1.247 174.642 175.800 0.149 0.000 1.071 680 F CA -1.928 56.139 58.000 0.112 0.000 0.994 680 F CB 2.627 41.751 39.000 0.207 0.000 1.341 680 F HN 0.357 nan 8.300 nan 0.000 0.498 681 D N 1.692 122.545 120.400 0.756 0.000 2.584 681 D HA 0.166 4.806 4.640 -0.000 0.000 0.238 681 D C -1.756 174.870 176.300 0.542 0.000 1.302 681 D CA -0.041 54.262 54.000 0.506 0.000 0.884 681 D CB 0.552 41.494 40.800 0.238 0.000 1.456 681 D HN 0.420 nan 8.370 nan 0.000 0.528 682 F N 1.669 121.803 119.950 0.306 0.000 2.370 682 F HA 0.574 5.101 4.527 -0.000 0.000 0.319 682 F C 0.122 175.746 175.800 -0.293 0.000 1.129 682 F CA -0.221 57.567 58.000 -0.354 0.000 1.109 682 F CB 1.148 39.821 39.000 -0.546 0.000 1.262 682 F HN 0.157 nan 8.300 nan 0.000 0.534 683 E N 2.398 121.870 120.200 -1.213 0.000 2.354 683 E HA 0.403 4.753 4.350 -0.000 0.000 0.283 683 E C -2.269 173.769 176.600 -0.937 0.000 0.938 683 E CA -0.844 55.062 56.400 -0.823 0.000 0.777 683 E CB 1.598 30.836 29.700 -0.770 0.000 1.222 683 E HN 0.517 nan 8.360 nan 0.000 0.423 684 L N 5.956 126.908 121.223 -0.451 0.000 2.283 684 L HA 0.540 4.880 4.340 -0.000 0.000 0.281 684 L C -1.408 175.365 176.870 -0.161 0.000 1.033 684 L CA -0.191 54.498 54.840 -0.252 0.000 0.848 684 L CB 0.388 42.421 42.059 -0.044 0.000 1.226 684 L HN 0.586 nan 8.230 nan 0.000 0.429 685 I N 3.106 123.575 120.570 -0.168 0.000 2.612 685 I HA 0.188 4.358 4.170 -0.000 0.000 0.295 685 I C -0.119 175.973 176.117 -0.041 0.000 1.011 685 I CA -0.304 60.940 61.300 -0.093 0.000 1.326 685 I CB 1.293 39.232 38.000 -0.102 0.000 1.427 685 I HN 0.635 nan 8.210 nan 0.000 0.537 686 D N 3.874 124.264 120.400 -0.016 0.000 2.412 686 D HA 0.163 4.803 4.640 -0.000 0.000 0.224 686 D C 0.329 176.625 176.300 -0.006 0.000 1.093 686 D CA -0.329 53.670 54.000 -0.001 0.000 0.850 686 D CB 1.274 42.083 40.800 0.015 0.000 1.046 686 D HN 0.321 nan 8.370 nan 0.000 0.507 687 Q N 2.459 122.252 119.800 -0.012 0.000 2.389 687 Q HA 0.309 4.648 4.340 -0.000 0.000 0.204 687 Q C 0.177 176.171 176.000 -0.009 0.000 0.944 687 Q CA 0.380 56.173 55.803 -0.016 0.000 0.908 687 Q CB 0.478 29.199 28.738 -0.028 0.000 1.002 687 Q HN 0.616 nan 8.270 nan 0.000 0.493 688 A N -1.698 121.120 122.820 -0.002 0.000 2.637 688 A HA 0.665 4.985 4.320 -0.000 0.000 0.258 688 A C 1.054 178.641 177.584 0.004 0.000 1.250 688 A CA -0.146 51.891 52.037 0.000 0.000 0.931 688 A CB -0.165 18.836 19.000 0.002 0.000 1.488 688 A HN 0.212 nan 8.150 nan 0.000 0.464 689 G N -0.539 108.264 108.800 0.005 0.000 2.956 689 G HA2 0.315 4.275 3.960 -0.000 0.000 0.207 689 G HA3 0.315 4.275 3.960 -0.000 0.000 0.207 689 G C 0.470 175.377 174.900 0.012 0.000 1.162 689 G CA -0.051 45.053 45.100 0.007 0.000 0.796 689 G HN 0.481 nan 8.290 nan 0.000 0.527 690 L N 0.150 121.381 121.223 0.013 0.000 2.482 690 L HA 0.443 4.783 4.340 -0.000 0.000 0.273 690 L C 1.323 178.210 176.870 0.028 0.000 1.228 690 L CA -0.300 54.551 54.840 0.018 0.000 0.827 690 L CB 0.041 42.110 42.059 0.017 0.000 1.099 690 L HN 0.085 nan 8.230 nan 0.000 0.494 691 G N -1.555 107.264 108.800 0.033 0.000 2.568 691 G HA2 0.172 4.132 3.960 -0.000 0.000 0.293 691 G HA3 0.172 4.132 3.960 -0.000 0.000 0.293 691 G C 0.403 175.358 174.900 0.093 0.000 1.347 691 G CA -0.252 44.882 45.100 0.056 0.000 1.039 691 G HN 0.797 nan 8.290 nan 0.000 0.523 692 H N -0.588 118.487 119.070 0.008 0.000 2.457 692 H HA -0.038 4.518 4.556 -0.000 0.000 0.294 692 H C 2.154 177.487 175.328 0.007 0.000 1.064 692 H CA 2.260 58.313 56.048 0.008 0.000 1.330 692 H CB 0.161 29.929 29.762 0.010 0.000 1.395 692 H HN 0.663 nan 8.280 nan 0.000 0.541 693 E N 0.316 120.424 120.200 -0.153 0.000 2.076 693 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 693 E C 1.939 178.474 176.600 -0.108 0.000 0.979 693 E CA 0.715 56.986 56.400 -0.216 0.000 0.807 693 E CB 0.049 29.678 29.700 -0.118 0.000 0.761 693 E HN 0.429 nan 8.360 nan 0.000 0.454 694 K N 0.959 121.333 120.400 -0.043 0.000 2.167 694 K HA 0.014 4.333 4.320 -0.000 0.000 0.203 694 K C 2.301 178.899 176.600 -0.004 0.000 1.052 694 K CA 0.425 56.701 56.287 -0.018 0.000 0.956 694 K CB -0.023 32.476 32.500 -0.002 0.000 0.735 694 K HN 0.082 nan 8.250 nan 0.000 0.451 695 L N 1.223 122.456 121.223 0.016 0.000 2.046 695 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 695 L C 2.080 178.972 176.870 0.036 0.000 1.077 695 L CA 1.467 56.331 54.840 0.040 0.000 0.747 695 L CB -0.422 41.684 42.059 0.078 0.000 0.896 695 L HN 0.160 nan 8.230 nan 0.000 0.432 696 T N -0.726 113.841 114.554 0.022 0.000 2.665 696 T HA -0.313 4.037 4.350 -0.000 0.000 0.268 696 T C 1.732 176.427 174.700 -0.007 0.000 1.035 696 T CA 1.906 64.009 62.100 0.005 0.000 1.151 696 T CB -0.188 68.625 68.868 -0.091 0.000 0.862 696 T HN 0.319 nan 8.240 nan 0.000 0.438 697 Q N 0.836 120.624 119.800 -0.021 0.000 2.167 697 Q HA 0.105 4.445 4.340 -0.000 0.000 0.202 697 Q C 2.218 178.218 176.000 -0.001 0.000 0.970 697 Q CA 1.565 57.359 55.803 -0.014 0.000 0.855 697 Q CB -0.599 28.129 28.738 -0.017 0.000 0.911 697 Q HN 0.527 nan 8.270 nan 0.000 0.438 698 A N 0.743 123.567 122.820 0.007 0.000 1.930 698 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 698 A C 2.075 179.669 177.584 0.018 0.000 1.175 698 A CA 1.485 53.530 52.037 0.014 0.000 0.627 698 A CB -0.644 18.368 19.000 0.021 0.000 0.815 698 A HN 0.442 nan 8.150 nan 0.000 0.443 699 R N 0.070 120.583 120.500 0.023 0.000 2.115 699 R HA -0.103 4.237 4.340 -0.000 0.000 0.226 699 R C 1.353 177.662 176.300 0.016 0.000 1.100 699 R CA 1.815 57.932 56.100 0.029 0.000 0.980 699 R CB -0.569 29.755 30.300 0.039 0.000 0.875 699 R HN 0.554 nan 8.270 nan 0.000 0.445 700 N N 0.612 119.317 118.700 0.008 0.000 2.244 700 N HA -0.171 4.569 4.740 -0.000 0.000 0.183 700 N C 1.750 177.259 175.510 -0.002 0.000 1.016 700 N CA 1.196 54.247 53.050 0.001 0.000 0.866 700 N CB -0.013 38.471 38.487 -0.005 0.000 0.980 700 N HN 0.371 nan 8.380 nan 0.000 0.430 701 Q N 0.265 120.065 119.800 -0.001 0.000 2.311 701 Q HA 0.024 4.364 4.340 -0.000 0.000 0.203 701 Q C 1.853 177.846 176.000 -0.012 0.000 0.954 701 Q CA 0.425 56.226 55.803 -0.003 0.000 0.885 701 Q CB 0.221 28.959 28.738 0.001 0.000 0.963 701 Q HN 0.446 nan 8.270 nan 0.000 0.471 702 L N -0.401 120.813 121.223 -0.015 0.000 2.084 702 L HA -0.034 4.306 4.340 -0.000 0.000 0.202 702 L C 1.917 178.756 176.870 -0.050 0.000 1.074 702 L CA 0.829 55.642 54.840 -0.044 0.000 0.757 702 L CB -0.147 41.890 42.059 -0.036 0.000 0.918 702 L HN 0.238 nan 8.230 nan 0.000 0.444 703 L N 0.321 121.529 121.223 -0.025 0.000 2.127 703 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 703 L C 2.745 179.601 176.870 -0.024 0.000 1.089 703 L CA 1.184 56.012 54.840 -0.020 0.000 0.757 703 L CB -0.875 41.181 42.059 -0.004 0.000 0.899 703 L HN 0.433 nan 8.230 nan 0.000 0.434 704 A N -0.553 122.257 122.820 -0.018 0.000 1.840 704 A HA -0.134 4.186 4.320 -0.000 0.000 0.214 704 A C 2.237 179.813 177.584 -0.014 0.000 1.198 704 A CA 1.088 53.118 52.037 -0.012 0.000 0.608 704 A CB -0.340 18.658 19.000 -0.003 0.000 0.839 704 A HN 0.276 nan 8.150 nan 0.000 0.443 705 E N 0.098 120.289 120.200 -0.015 0.000 2.204 705 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 705 E C 2.227 178.790 176.600 -0.063 0.000 0.990 705 E CA 1.108 57.509 56.400 0.000 0.000 0.821 705 E CB -0.419 29.289 29.700 0.013 0.000 0.750 705 E HN 0.562 nan 8.360 nan 0.000 0.477 706 A N 1.152 123.907 122.820 -0.108 0.000 1.897 706 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 706 A C 2.311 179.814 177.584 -0.136 0.000 1.181 706 A CA 1.677 53.612 52.037 -0.170 0.000 0.620 706 A CB -0.315 18.610 19.000 -0.124 0.000 0.821 706 A HN 0.242 nan 8.150 nan 0.000 0.443 707 A N -1.043 121.734 122.820 -0.072 0.000 2.123 707 A HA 0.055 4.375 4.320 -0.000 0.000 0.214 707 A C 2.022 179.594 177.584 -0.020 0.000 1.152 707 A CA 1.324 53.334 52.037 -0.044 0.000 0.728 707 A CB -0.236 18.747 19.000 -0.029 0.000 0.814 707 A HN 0.408 nan 8.150 nan 0.000 0.464 708 K N -0.083 120.313 120.400 -0.006 0.000 2.243 708 K HA -0.088 4.232 4.320 -0.000 0.000 0.201 708 K C 0.172 176.827 176.600 0.092 0.000 1.051 708 K CA 0.970 57.278 56.287 0.035 0.000 0.970 708 K CB -0.055 32.471 32.500 0.044 0.000 0.755 708 K HN 0.760 nan 8.250 nan 0.000 0.465 709 H N 0.034 119.095 119.070 -0.016 0.000 2.596 709 H HA 0.343 4.899 4.556 -0.000 0.000 0.240 709 H C -2.988 172.330 175.328 -0.017 0.000 1.406 709 H CA -1.686 54.352 56.048 -0.016 0.000 1.504 709 H CB 1.234 30.985 29.762 -0.018 0.000 1.688 709 H HN -0.047 nan 8.280 nan 0.000 0.546 713 L N 0.504 121.718 121.223 -0.015 0.000 2.644 713 L HA 0.750 5.090 4.340 -0.000 0.000 0.213 713 L C 0.579 177.431 176.870 -0.031 0.000 1.622 713 L CA 0.493 55.317 54.840 -0.027 0.000 2.969 713 L CB 0.317 42.362 42.059 -0.024 0.000 2.760 713 L HN 0.480 nan 8.230 nan 0.000 0.871 714 T N -2.563 111.974 114.554 -0.028 0.000 3.101 714 T HA 0.306 4.656 4.350 -0.000 0.000 0.354 714 T C -0.988 173.685 174.700 -0.045 0.000 1.801 714 T CA -0.690 61.398 62.100 -0.021 0.000 1.034 714 T CB -0.189 68.676 68.868 -0.006 0.000 1.882 714 T HN 0.548 nan 8.240 nan 0.000 0.525 715 S N 0.059 115.717 115.700 -0.071 0.000 2.746 715 S HA 0.687 5.157 4.470 -0.000 0.000 0.273 715 S C -0.456 174.066 174.600 -0.129 0.000 1.172 715 S CA -0.232 57.914 58.200 -0.091 0.000 1.116 715 S CB 0.643 63.785 63.200 -0.097 0.000 1.057 715 S HN 1.962 nan 8.310 nan 0.000 0.483 716 V N 1.402 121.262 119.914 -0.090 0.000 2.656 716 V HA 0.904 5.024 4.120 -0.000 0.000 0.307 716 V C -0.632 175.429 176.094 -0.056 0.000 1.051 716 V CA -0.797 61.451 62.300 -0.086 0.000 0.893 716 V CB 1.720 33.532 31.823 -0.018 0.000 0.999 716 V HN 0.838 nan 8.190 nan 0.000 0.426 717 R N 3.109 123.577 120.500 -0.053 0.000 2.710 717 R HA 0.664 5.004 4.340 -0.000 0.000 0.270 717 R C -3.057 173.242 176.300 -0.001 0.000 1.021 717 R CA -1.831 54.256 56.100 -0.022 0.000 0.889 717 R CB 2.579 32.864 30.300 -0.025 0.000 1.243 717 R HN 0.609 nan 8.270 nan 0.000 0.464 718 P HA 0.114 nan 4.420 nan 0.000 0.274 718 P C -0.015 177.302 177.300 0.029 0.000 1.260 718 P CA -0.130 62.987 63.100 0.028 0.000 0.793 718 P CB 0.950 32.668 31.700 0.030 0.000 1.048 719 N N -0.371 118.350 118.700 0.035 0.000 2.278 719 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 719 N C 0.489 176.030 175.510 0.051 0.000 1.023 719 N CA 1.279 54.352 53.050 0.039 0.000 0.862 719 N CB 0.081 38.590 38.487 0.037 0.000 1.003 719 N HN 0.655 nan 8.380 nan 0.000 0.431 720 G N -0.151 108.677 108.800 0.047 0.000 3.678 720 G HA2 0.172 4.132 3.960 -0.000 0.000 0.235 720 G HA3 0.172 4.132 3.960 -0.000 0.000 0.235 720 G C -0.806 174.119 174.900 0.042 0.000 3.905 720 G CA -0.403 44.727 45.100 0.050 0.000 0.513 720 G HN 0.131 nan 8.290 nan 0.000 0.266 721 L N 0.229 121.476 121.223 0.040 0.000 2.965 721 L HA 0.443 4.783 4.340 -0.000 0.000 0.254 721 L C 1.697 178.591 176.870 0.040 0.000 1.220 721 L CA -0.044 54.820 54.840 0.041 0.000 1.023 721 L CB 0.362 42.452 42.059 0.052 0.000 1.355 721 L HN 0.429 nan 8.230 nan 0.000 0.545 722 E N 1.272 121.491 120.200 0.032 0.000 2.689 722 E HA -0.411 3.939 4.350 -0.000 0.000 0.247 722 E C 0.229 176.827 176.600 -0.003 0.000 1.031 722 E CA 2.446 58.857 56.400 0.019 0.000 1.400 722 E CB -0.051 29.664 29.700 0.025 0.000 1.296 722 E HN 0.564 nan 8.360 nan 0.000 0.475 723 D N -1.319 119.086 120.400 0.007 0.000 2.914 723 D HA -0.097 4.543 4.640 -0.000 0.000 0.221 723 D C -1.100 175.168 176.300 -0.054 0.000 1.012 723 D CA 0.952 54.937 54.000 -0.025 0.000 0.857 723 D CB -1.275 39.471 40.800 -0.091 0.000 0.972 723 D HN 0.322 nan 8.370 nan 0.000 0.427 724 T N -0.447 114.135 114.554 0.046 0.000 2.922 724 T HA 0.815 5.164 4.350 -0.000 0.000 0.285 724 T C -2.169 172.676 174.700 0.242 0.000 1.005 724 T CA -1.363 60.812 62.100 0.125 0.000 1.061 724 T CB 2.049 70.992 68.868 0.125 0.000 1.007 724 T HN 0.044 nan 8.240 nan 0.000 0.502 725 P HA 0.266 nan 4.420 nan 0.000 0.274 725 P C -1.170 176.350 177.300 0.367 0.000 1.256 725 P CA -0.499 62.903 63.100 0.503 0.000 0.795 725 P CB 0.417 32.455 31.700 0.562 0.000 1.038 726 Q N -0.247 119.723 119.800 0.283 0.000 2.268 726 Q HA 0.365 4.705 4.340 -0.000 0.000 0.266 726 Q C -1.303 174.604 176.000 -0.155 0.000 1.006 726 Q CA -0.600 55.240 55.803 0.063 0.000 0.824 726 Q CB 1.622 30.386 28.738 0.044 0.000 1.306 726 Q HN 0.298 nan 8.270 nan 0.000 0.424 727 F N 3.391 122.983 119.950 -0.596 0.000 2.541 727 F HA 0.189 4.716 4.527 -0.000 0.000 0.347 727 F C 0.210 175.717 175.800 -0.488 0.000 1.242 727 F CA -0.391 57.076 58.000 -0.888 0.000 1.123 727 F CB 0.125 38.498 39.000 -1.046 0.000 1.354 727 F HN 0.342 nan 8.300 nan 0.000 0.621 728 K N 5.992 125.973 120.400 -0.698 0.000 2.350 728 K HA 0.381 4.701 4.320 -0.000 0.000 0.279 728 K C -1.107 175.101 176.600 -0.653 0.000 1.027 728 K CA 0.078 56.065 56.287 -0.500 0.000 0.969 728 K CB 0.329 32.650 32.500 -0.299 0.000 0.954 728 K HN 0.645 nan 8.250 nan 0.000 0.474 729 I N 4.022 124.358 120.570 -0.390 0.000 2.437 729 I HA 0.180 4.350 4.170 -0.000 0.000 0.279 729 I C -0.896 175.140 176.117 -0.135 0.000 1.028 729 I CA -0.925 60.216 61.300 -0.264 0.000 1.142 729 I CB 1.608 39.522 38.000 -0.142 0.000 1.266 729 I HN 0.631 nan 8.210 nan 0.000 0.461 730 D N 7.026 127.359 120.400 -0.112 0.000 2.308 730 D HA 0.391 5.031 4.640 -0.000 0.000 0.251 730 D C -0.162 176.127 176.300 -0.018 0.000 1.127 730 D CA 0.090 54.052 54.000 -0.063 0.000 0.876 730 D CB 1.550 42.315 40.800 -0.058 0.000 1.176 730 D HN 0.315 nan 8.370 nan 0.000 0.446 731 I N 2.218 122.766 120.570 -0.037 0.000 2.330 731 I HA 0.111 4.281 4.170 -0.000 0.000 0.286 731 I C -0.019 176.070 176.117 -0.047 0.000 1.025 731 I CA -0.795 60.475 61.300 -0.049 0.000 1.197 731 I CB 1.148 39.050 38.000 -0.163 0.000 1.358 731 I HN 0.283 nan 8.210 nan 0.000 0.467 732 D N 5.676 126.077 120.400 0.003 0.000 2.434 732 D HA -0.034 4.606 4.640 -0.000 0.000 0.252 732 D C 0.997 177.282 176.300 -0.025 0.000 1.185 732 D CA 0.492 54.493 54.000 0.003 0.000 0.886 732 D CB 1.068 41.890 40.800 0.037 0.000 1.148 732 D HN 0.387 nan 8.370 nan 0.000 0.483 733 Q N 2.902 122.680 119.800 -0.037 0.000 2.204 733 Q HA -0.087 4.253 4.340 -0.000 0.000 0.198 733 Q C 1.625 177.605 176.000 -0.033 0.000 0.946 733 Q CA 0.804 56.574 55.803 -0.054 0.000 0.859 733 Q CB 0.094 28.802 28.738 -0.051 0.000 0.946 733 Q HN 0.750 nan 8.270 nan 0.000 0.474 734 E N 0.813 121.004 120.200 -0.014 0.000 2.051 734 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 734 E C 1.927 178.533 176.600 0.010 0.000 0.991 734 E CA 0.781 57.179 56.400 -0.003 0.000 0.799 734 E CB -0.185 29.516 29.700 0.002 0.000 0.748 734 E HN 0.078 nan 8.360 nan 0.000 0.449 735 K N 0.800 121.215 120.400 0.025 0.000 2.032 735 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 735 K C 2.386 179.028 176.600 0.071 0.000 1.048 735 K CA 1.141 57.460 56.287 0.054 0.000 0.927 735 K CB -0.337 32.212 32.500 0.082 0.000 0.712 735 K HN 0.193 nan 8.250 nan 0.000 0.441 736 A N 2.082 124.929 122.820 0.045 0.000 1.869 736 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 736 A C 2.036 179.630 177.584 0.016 0.000 1.203 736 A CA 2.206 54.246 52.037 0.006 0.000 0.638 736 A CB -0.806 18.100 19.000 -0.157 0.000 0.831 736 A HN 0.523 nan 8.150 nan 0.000 0.450 737 Q N -0.768 119.029 119.800 -0.005 0.000 2.311 737 Q HA 0.194 4.534 4.340 -0.000 0.000 0.203 737 Q C 2.123 178.133 176.000 0.016 0.000 0.954 737 Q CA 0.886 56.688 55.803 -0.001 0.000 0.885 737 Q CB -0.394 28.337 28.738 -0.011 0.000 0.963 737 Q HN 0.626 nan 8.270 nan 0.000 0.471 738 A N 1.979 124.814 122.820 0.025 0.000 1.930 738 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 738 A C 2.123 179.729 177.584 0.037 0.000 1.175 738 A CA 0.936 52.990 52.037 0.028 0.000 0.627 738 A CB -0.488 18.529 19.000 0.028 0.000 0.815 738 A HN 0.328 nan 8.150 nan 0.000 0.443 739 L N -1.646 119.611 121.223 0.056 0.000 2.313 739 L HA 0.202 4.542 4.340 -0.000 0.000 0.214 739 L C 1.363 178.270 176.870 0.062 0.000 1.119 739 L CA 0.636 55.515 54.840 0.066 0.000 0.809 739 L CB -0.832 41.289 42.059 0.102 0.000 0.933 739 L HN 0.586 nan 8.230 nan 0.000 0.449 740 G N 1.500 110.331 108.800 0.052 0.000 2.683 740 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.234 740 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.234 740 G C -0.321 174.605 174.900 0.042 0.000 1.135 740 G CA -0.114 45.009 45.100 0.039 0.000 0.975 740 G HN 0.188 nan 8.290 nan 0.000 0.511 741 V N -2.539 117.393 119.914 0.029 0.000 2.709 741 V HA 0.890 5.010 4.120 -0.000 0.000 0.308 741 V C 0.560 176.633 176.094 -0.034 0.000 1.062 741 V CA -0.832 61.474 62.300 0.011 0.000 0.901 741 V CB 1.805 33.642 31.823 0.023 0.000 1.003 741 V HN 0.561 nan 8.190 nan 0.000 0.425 742 S N 2.474 118.157 115.700 -0.029 0.000 2.549 742 S HA 0.434 4.904 4.470 -0.000 0.000 0.279 742 S C 1.125 175.675 174.600 -0.083 0.000 1.321 742 S CA -0.329 57.845 58.200 -0.043 0.000 1.054 742 S CB 0.806 63.994 63.200 -0.020 0.000 0.899 742 S HN 0.685 nan 8.310 nan 0.000 0.497 743 I N 3.457 123.969 120.570 -0.096 0.000 2.614 743 I HA -0.112 4.057 4.170 -0.000 0.000 0.258 743 I C 1.872 177.934 176.117 -0.091 0.000 1.189 743 I CA 0.673 61.895 61.300 -0.131 0.000 1.462 743 I CB -0.407 37.523 38.000 -0.118 0.000 1.092 743 I HN 0.481 nan 8.210 nan 0.000 0.442 744 N N 1.083 119.751 118.700 -0.053 0.000 2.025 744 N HA -0.202 4.538 4.740 -0.000 0.000 0.194 744 N C 1.535 177.034 175.510 -0.019 0.000 1.044 744 N CA 1.639 54.673 53.050 -0.027 0.000 0.851 744 N CB -0.479 38.001 38.487 -0.012 0.000 1.036 744 N HN 0.343 nan 8.380 nan 0.000 0.422 745 D N 0.290 120.680 120.400 -0.017 0.000 2.218 745 D HA -0.062 4.578 4.640 -0.000 0.000 0.204 745 D C 1.943 178.247 176.300 0.007 0.000 0.976 745 D CA 0.582 54.587 54.000 0.009 0.000 0.853 745 D CB 0.006 40.820 40.800 0.023 0.000 0.939 745 D HN 0.344 nan 8.370 nan 0.000 0.481 746 I N 1.072 121.603 120.570 -0.064 0.000 2.286 746 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 746 I C 2.067 178.171 176.117 -0.022 0.000 1.104 746 I CA 0.579 61.810 61.300 -0.115 0.000 1.397 746 I CB -0.139 37.621 38.000 -0.399 0.000 1.072 746 I HN -0.112 nan 8.210 nan 0.000 0.417 747 N N 0.195 118.873 118.700 -0.037 0.000 2.106 747 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 747 N C 1.865 177.390 175.510 0.026 0.000 1.029 747 N CA 1.702 54.750 53.050 -0.004 0.000 0.848 747 N CB -0.597 37.878 38.487 -0.019 0.000 1.007 747 N HN 0.192 nan 8.380 nan 0.000 0.423 748 T N 0.126 114.696 114.554 0.027 0.000 3.227 748 T HA 0.037 4.387 4.350 -0.000 0.000 0.257 748 T C 1.148 175.869 174.700 0.035 0.000 1.162 748 T CA 0.841 62.962 62.100 0.035 0.000 1.051 748 T CB -0.196 68.695 68.868 0.037 0.000 0.953 748 T HN 0.208 nan 8.240 nan 0.000 0.535 749 T N 1.098 115.686 114.554 0.056 0.000 2.953 749 T HA 0.144 4.494 4.350 -0.000 0.000 0.247 749 T C 1.653 176.328 174.700 -0.042 0.000 1.029 749 T CA 0.487 62.615 62.100 0.048 0.000 1.144 749 T CB -0.266 68.722 68.868 0.200 0.000 0.870 749 T HN 0.241 nan 8.240 nan 0.000 0.446 750 L N 1.622 122.888 121.223 0.072 0.000 2.109 750 L HA 0.249 4.589 4.340 -0.000 0.000 0.207 750 L C 2.461 179.351 176.870 0.034 0.000 1.086 750 L CA 1.714 56.573 54.840 0.031 0.000 0.760 750 L CB -0.978 41.123 42.059 0.071 0.000 0.910 750 L HN 0.316 nan 8.230 nan 0.000 0.437 751 G N -1.341 107.468 108.800 0.016 0.000 2.403 751 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 751 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 751 G C 1.523 176.438 174.900 0.025 0.000 1.154 751 G CA 0.549 45.659 45.100 0.015 0.000 0.784 751 G HN 0.560 nan 8.290 nan 0.000 0.538 752 A N 0.540 123.360 122.820 0.001 0.000 2.067 752 A HA 0.533 4.853 4.320 -0.000 0.000 0.217 752 A C 2.554 180.097 177.584 -0.068 0.000 1.156 752 A CA 1.793 53.824 52.037 -0.009 0.000 0.683 752 A CB -0.262 18.732 19.000 -0.010 0.000 0.808 752 A HN 0.563 nan 8.150 nan 0.000 0.455 753 A N -1.577 121.136 122.820 -0.179 0.000 1.901 753 A HA 0.170 4.490 4.320 -0.000 0.000 0.210 753 A C 1.793 179.225 177.584 -0.255 0.000 1.208 753 A CA 0.938 52.722 52.037 -0.422 0.000 0.644 753 A CB -0.555 17.682 19.000 -1.272 0.000 0.863 753 A HN 0.634 nan 8.150 nan 0.000 0.454 754 W N -0.666 120.511 121.300 -0.205 0.000 2.630 754 W HA 0.295 4.955 4.660 -0.000 0.000 0.271 754 W C 2.297 178.785 176.519 -0.053 0.000 1.244 754 W CA 0.699 57.984 57.345 -0.100 0.000 1.353 754 W CB -0.320 29.061 29.460 -0.132 0.000 1.080 754 W HN 0.330 nan 8.180 nan 0.000 0.594 755 G N -0.654 108.238 108.800 0.153 0.000 2.576 755 G HA2 0.442 4.402 3.960 -0.000 0.000 0.210 755 G HA3 0.442 4.402 3.960 -0.000 0.000 0.210 755 G C 0.611 175.541 174.900 0.051 0.000 1.143 755 G CA 0.610 45.756 45.100 0.076 0.000 0.819 755 G HN 0.421 nan 8.290 nan 0.000 0.534 756 G N -1.493 107.342 108.800 0.059 0.000 2.515 756 G HA2 0.407 4.367 3.960 -0.000 0.000 0.686 756 G HA3 0.407 4.367 3.960 -0.000 0.000 0.686 756 G C -0.594 174.386 174.900 0.133 0.000 1.274 756 G CA 0.236 45.379 45.100 0.071 0.000 0.874 756 G HN 1.432 nan 8.290 nan 0.000 0.631 757 S N -0.876 114.968 115.700 0.239 0.000 2.592 757 S HA 0.523 4.993 4.470 -0.000 0.000 0.275 757 S C -0.973 173.828 174.600 0.335 0.000 1.169 757 S CA -0.356 58.001 58.200 0.262 0.000 0.958 757 S CB 1.116 64.401 63.200 0.142 0.000 1.095 757 S HN 1.795 nan 8.310 nan 0.000 0.471 758 Y N 6.169 126.586 120.300 0.195 0.000 2.680 758 Y HA 0.332 4.882 4.550 -0.000 0.000 0.356 758 Y C 0.971 176.831 175.900 -0.065 0.000 1.122 758 Y CA 0.377 58.444 58.100 -0.055 0.000 1.509 758 Y CB 0.081 38.545 38.460 0.007 0.000 1.245 758 Y HN 0.557 nan 8.280 nan 0.000 0.513 759 V N 4.694 124.420 119.914 -0.313 0.000 2.283 759 V HA -0.072 4.048 4.120 -0.000 0.000 0.239 759 V C 0.632 176.565 176.094 -0.268 0.000 1.035 759 V CA 1.468 63.652 62.300 -0.193 0.000 1.018 759 V CB -0.524 31.212 31.823 -0.145 0.000 0.658 759 V HN 0.740 nan 8.190 nan 0.000 0.459 760 N N -2.003 116.434 118.700 -0.438 0.000 3.439 760 N HA 0.314 5.054 4.740 -0.000 0.000 0.313 760 N C -2.119 173.166 175.510 -0.375 0.000 1.598 760 N CA -0.629 52.243 53.050 -0.297 0.000 0.830 760 N CB 1.732 40.162 38.487 -0.096 0.000 1.849 760 N HN 0.103 nan 8.380 nan 0.000 0.598 761 D N 0.140 120.468 120.400 -0.119 0.000 2.498 761 D HA 0.386 5.026 4.640 -0.000 0.000 0.247 761 D C -0.997 175.390 176.300 0.145 0.000 1.070 761 D CA -0.154 53.837 54.000 -0.014 0.000 0.842 761 D CB 1.534 42.335 40.800 0.001 0.000 1.361 761 D HN 0.420 nan 8.370 nan 0.000 0.484 762 F N -0.084 119.855 119.950 -0.019 0.000 2.631 762 F HA 0.743 5.270 4.527 -0.000 0.000 0.350 762 F C -1.138 174.681 175.800 0.032 0.000 1.080 762 F CA -1.083 56.953 58.000 0.060 0.000 1.026 762 F CB 0.810 39.931 39.000 0.202 0.000 1.347 762 F HN 0.043 nan 8.300 nan 0.000 0.501 763 I N 1.457 121.810 120.570 -0.361 0.000 2.441 763 I HA 0.350 4.520 4.170 -0.000 0.000 0.295 763 I C -1.354 174.432 176.117 -0.551 0.000 0.994 763 I CA -0.153 60.885 61.300 -0.438 0.000 1.144 763 I CB 1.511 39.431 38.000 -0.133 0.000 1.314 763 I HN 0.660 nan 8.210 nan 0.000 0.445 764 D N 5.276 125.375 120.400 -0.501 0.000 2.479 764 D HA 0.402 5.042 4.640 -0.000 0.000 0.246 764 D C -0.283 175.957 176.300 -0.099 0.000 1.336 764 D CA -0.422 53.435 54.000 -0.238 0.000 0.967 764 D CB 0.651 41.304 40.800 -0.245 0.000 1.275 764 D HN 0.429 nan 8.370 nan 0.000 0.577 765 R N 2.999 123.478 120.500 -0.035 0.000 3.422 765 R HA -0.219 4.121 4.340 -0.000 0.000 0.267 765 R C 0.973 177.260 176.300 -0.022 0.000 1.074 765 R CA 0.957 57.051 56.100 -0.011 0.000 0.718 765 R CB -1.471 28.838 30.300 0.015 0.000 1.157 765 R HN 0.949 nan 8.270 nan 0.000 0.440 766 G N -0.534 108.240 108.800 -0.042 0.000 3.079 766 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.214 766 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.214 766 G C 0.040 174.904 174.900 -0.059 0.000 1.335 766 G CA 0.168 45.244 45.100 -0.041 0.000 0.822 766 G HN 0.376 nan 8.290 nan 0.000 0.545 767 R N 0.810 121.274 120.500 -0.061 0.000 2.340 767 R HA 0.502 4.842 4.340 -0.000 0.000 0.300 767 R C 0.262 176.481 176.300 -0.136 0.000 1.069 767 R CA 0.062 56.121 56.100 -0.068 0.000 0.984 767 R CB 2.200 32.480 30.300 -0.033 0.000 1.003 767 R HN 0.469 nan 8.270 nan 0.000 0.459 768 V N 4.582 124.422 119.914 -0.122 0.000 2.479 768 V HA 0.085 4.205 4.120 -0.000 0.000 0.281 768 V C -0.144 175.862 176.094 -0.147 0.000 1.031 768 V CA 0.474 62.673 62.300 -0.168 0.000 1.038 768 V CB 0.111 31.880 31.823 -0.091 0.000 0.981 768 V HN 0.713 nan 8.190 nan 0.000 0.478 769 K N 5.361 125.610 120.400 -0.252 0.000 2.270 769 K HA 0.652 4.971 4.320 -0.000 0.000 0.248 769 K C -1.030 175.574 176.600 0.007 0.000 1.076 769 K CA -1.145 55.088 56.287 -0.090 0.000 0.957 769 K CB 1.293 33.764 32.500 -0.049 0.000 1.400 769 K HN 0.677 nan 8.250 nan 0.000 0.573 770 K N 0.334 120.796 120.400 0.102 0.000 2.340 770 K HA 0.543 4.863 4.320 -0.000 0.000 0.244 770 K C -0.904 175.625 176.600 -0.118 0.000 0.973 770 K CA -0.999 55.244 56.287 -0.074 0.000 0.828 770 K CB 1.796 34.178 32.500 -0.198 0.000 1.226 770 K HN 0.157 nan 8.250 nan 0.000 0.437 771 V N 1.578 121.251 119.914 -0.401 0.000 2.417 771 V HA 0.363 4.483 4.120 -0.000 0.000 0.291 771 V C -1.248 174.514 176.094 -0.553 0.000 1.024 771 V CA -0.823 61.209 62.300 -0.447 0.000 0.861 771 V CB 0.161 31.777 31.823 -0.345 0.000 0.985 771 V HN 0.593 nan 8.190 nan 0.000 0.436 772 Y N 2.463 122.605 120.300 -0.263 0.000 2.446 772 Y HA 0.714 5.264 4.550 -0.000 0.000 0.345 772 Y C -0.099 175.650 175.900 -0.253 0.000 0.984 772 Y CA -0.894 57.089 58.100 -0.195 0.000 1.058 772 Y CB 2.344 40.726 38.460 -0.130 0.000 1.220 772 Y HN 0.428 nan 8.280 nan 0.000 0.455 773 V N 4.847 124.780 119.914 0.031 0.000 2.604 773 V HA 0.486 4.606 4.120 -0.000 0.000 0.305 773 V C -0.365 175.725 176.094 -0.007 0.000 1.043 773 V CA -0.192 62.077 62.300 -0.052 0.000 0.888 773 V CB 1.832 33.637 31.823 -0.029 0.000 0.995 773 V HN 1.065 nan 8.190 nan 0.000 0.429 774 M N 3.091 122.681 119.600 -0.017 0.000 1.749 774 M HA 0.395 4.874 4.480 -0.000 0.000 0.171 774 M C -0.763 175.628 176.300 0.151 0.000 1.726 774 M CA 0.769 56.112 55.300 0.072 0.000 0.826 774 M CB 1.509 34.195 32.600 0.144 0.000 1.588 774 M HN 0.844 nan 8.290 nan 0.000 0.624 775 S N 0.143 116.045 115.700 0.336 0.000 2.802 775 S HA 0.079 4.549 4.470 -0.000 0.000 0.272 775 S C -1.474 173.340 174.600 0.356 0.000 0.788 775 S CA -1.020 57.387 58.200 0.345 0.000 1.016 775 S CB -0.279 63.130 63.200 0.348 0.000 1.278 775 S HN 0.459 nan 8.310 nan 0.000 0.494 776 E N 0.849 121.161 120.200 0.186 0.000 2.437 776 E HA 0.330 4.680 4.350 -0.000 0.000 0.263 776 E C 1.665 178.234 176.600 -0.051 0.000 1.030 776 E CA 0.235 56.619 56.400 -0.027 0.000 0.934 776 E CB 0.459 30.192 29.700 0.054 0.000 0.943 776 E HN 0.836 nan 8.360 nan 0.000 0.444 777 A N 4.162 126.840 122.820 -0.237 0.000 1.908 777 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 777 A C 1.897 179.390 177.584 -0.151 0.000 1.181 777 A CA 1.969 53.878 52.037 -0.212 0.000 0.627 777 A CB -0.483 18.351 19.000 -0.277 0.000 0.818 777 A HN 0.711 nan 8.150 nan 0.000 0.445 778 K N -1.649 118.661 120.400 -0.151 0.000 2.515 778 K HA -0.103 4.217 4.320 -0.000 0.000 0.196 778 K C 0.277 176.636 176.600 -0.402 0.000 1.038 778 K CA 1.152 57.278 56.287 -0.268 0.000 0.967 778 K CB -0.335 31.961 32.500 -0.341 0.000 0.780 778 K HN 0.545 nan 8.250 nan 0.000 0.483 779 Y N 1.671 121.834 120.300 -0.228 0.000 2.571 779 Y HA 0.219 4.769 4.550 -0.000 0.000 0.275 779 Y C 0.301 175.973 175.900 -0.380 0.000 1.179 779 Y CA -0.567 57.362 58.100 -0.286 0.000 1.242 779 Y CB 0.546 38.792 38.460 -0.357 0.000 1.126 779 Y HN 0.195 nan 8.280 nan 0.000 0.524 780 R N -2.623 117.674 120.500 -0.338 0.000 2.472 780 R HA 0.223 4.563 4.340 -0.000 0.000 0.368 780 R C 0.020 176.183 176.300 -0.229 0.000 0.825 780 R CA 0.009 55.631 56.100 -0.797 0.000 1.025 780 R CB -0.806 28.802 30.300 -1.152 0.000 1.541 780 R HN 0.011 nan 8.270 nan 0.000 0.589 781 M N 0.452 119.999 119.600 -0.088 0.000 2.486 781 M HA 0.333 4.813 4.480 -0.000 0.000 0.264 781 M C 0.197 176.533 176.300 0.061 0.000 1.125 781 M CA 0.790 56.084 55.300 -0.009 0.000 1.144 781 M CB -0.316 32.245 32.600 -0.064 0.000 1.353 781 M HN 0.284 nan 8.290 nan 0.000 0.466 782 L N -2.077 119.193 121.223 0.078 0.000 2.322 782 L HA 0.444 4.784 4.340 -0.000 0.000 0.252 782 L C -1.849 175.018 176.870 -0.005 0.000 1.055 782 L CA -1.652 53.209 54.840 0.035 0.000 0.849 782 L CB 0.359 42.425 42.059 0.011 0.000 1.446 782 L HN -0.298 nan 8.230 nan 0.000 0.416 783 P HA -0.063 nan 4.420 nan 0.000 0.225 783 P C 0.340 177.582 177.300 -0.096 0.000 1.156 783 P CA 1.031 63.831 63.100 -0.500 0.000 0.787 783 P CB 0.296 31.530 31.700 -0.777 0.000 0.802 784 D N 0.312 120.715 120.400 0.005 0.000 2.269 784 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 784 D C 0.959 177.302 176.300 0.072 0.000 0.963 784 D CA 0.830 54.860 54.000 0.050 0.000 0.864 784 D CB -0.078 40.739 40.800 0.030 0.000 0.936 784 D HN 0.221 nan 8.370 nan 0.000 0.505 785 D N 0.833 121.300 120.400 0.112 0.000 2.371 785 D HA -0.036 4.604 4.640 -0.000 0.000 0.221 785 D C 2.159 178.647 176.300 0.312 0.000 0.986 785 D CA 0.006 54.083 54.000 0.128 0.000 0.899 785 D CB 0.328 41.165 40.800 0.061 0.000 0.902 785 D HN 0.297 nan 8.370 nan 0.000 0.530 786 I N 0.924 121.715 120.570 0.368 0.000 2.286 786 I HA -0.152 4.017 4.170 -0.000 0.000 0.248 786 I C 2.498 178.727 176.117 0.188 0.000 1.115 786 I CA 1.101 62.594 61.300 0.323 0.000 1.392 786 I CB -1.023 37.021 38.000 0.073 0.000 1.065 786 I HN 0.006 nan 8.210 nan 0.000 0.418 787 G N 0.644 109.519 108.800 0.125 0.000 2.471 787 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 787 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 787 G C 1.208 175.992 174.900 -0.193 0.000 1.125 787 G CA 0.423 45.549 45.100 0.044 0.000 0.775 787 G HN 0.332 nan 8.290 nan 0.000 0.548 788 D N 0.246 120.520 120.400 -0.210 0.000 2.182 788 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 788 D C 0.415 176.287 176.300 -0.714 0.000 0.986 788 D CA 0.469 54.200 54.000 -0.448 0.000 0.847 788 D CB -0.170 40.401 40.800 -0.382 0.000 0.942 788 D HN 0.470 nan 8.370 nan 0.000 0.467 789 W N 0.859 121.993 121.300 -0.277 0.000 2.485 789 W HA 0.192 4.852 4.660 -0.000 0.000 0.315 789 W C -0.363 176.109 176.519 -0.079 0.000 1.304 789 W CA -0.583 56.705 57.345 -0.095 0.000 1.345 789 W CB -0.163 29.340 29.460 0.072 0.000 1.368 789 W HN -0.140 nan 8.180 nan 0.000 0.497 790 Y N 2.755 123.291 120.300 0.392 0.000 2.342 790 Y HA 0.431 4.981 4.550 -0.000 0.000 0.338 790 Y C 0.323 176.403 175.900 0.301 0.000 0.965 790 Y CA -1.329 56.946 58.100 0.291 0.000 1.159 790 Y CB 0.507 39.064 38.460 0.163 0.000 1.157 790 Y HN 0.011 nan 8.280 nan 0.000 0.486 791 V N 3.952 124.124 119.914 0.430 0.000 2.607 791 V HA 0.339 4.459 4.120 -0.000 0.000 0.289 791 V C 0.304 176.547 176.094 0.248 0.000 1.053 791 V CA -1.139 61.359 62.300 0.330 0.000 0.996 791 V CB 1.259 33.269 31.823 0.312 0.000 0.995 791 V HN 0.714 nan 8.190 nan 0.000 0.476 792 R N 3.029 123.643 120.500 0.190 0.000 2.491 792 R HA 0.528 4.868 4.340 -0.000 0.000 0.283 792 R C -0.199 176.171 176.300 0.117 0.000 1.072 792 R CA 0.252 56.435 56.100 0.138 0.000 1.048 792 R CB 0.552 30.919 30.300 0.112 0.000 0.983 792 R HN 0.907 nan 8.270 nan 0.000 0.450 793 A N 3.760 126.638 122.820 0.098 0.000 2.318 793 A HA 0.572 4.892 4.320 -0.000 0.000 0.324 793 A C 1.090 178.707 177.584 0.056 0.000 1.170 793 A CA -0.191 51.894 52.037 0.080 0.000 0.810 793 A CB 1.280 20.330 19.000 0.084 0.000 1.198 793 A HN 1.078 nan 8.150 nan 0.000 0.484 794 A N 2.395 125.242 122.820 0.045 0.000 1.836 794 A HA -0.313 4.007 4.320 -0.000 0.000 0.269 794 A C 1.074 178.676 177.584 0.031 0.000 2.597 794 A CA 2.677 54.734 52.037 0.033 0.000 0.810 794 A CB -1.493 17.522 19.000 0.026 0.000 0.833 794 A HN 1.207 nan 8.150 nan 0.000 0.542 795 D N -0.218 120.201 120.400 0.031 0.000 2.671 795 D HA 0.395 5.035 4.640 -0.000 0.000 0.228 795 D C 0.820 177.136 176.300 0.027 0.000 1.102 795 D CA 0.249 54.265 54.000 0.026 0.000 1.044 795 D CB -1.492 39.321 40.800 0.023 0.000 1.113 795 D HN 0.819 nan 8.370 nan 0.000 0.480 796 G N 2.016 110.833 108.800 0.029 0.000 2.044 796 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.247 796 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.247 796 G C -0.155 174.762 174.900 0.029 0.000 0.755 796 G CA 0.940 46.059 45.100 0.031 0.000 1.021 796 G HN 0.810 nan 8.290 nan 0.000 0.384 797 Q N -1.165 118.656 119.800 0.036 0.000 2.479 797 Q HA 0.700 5.040 4.340 -0.000 0.000 0.276 797 Q C -0.552 175.475 176.000 0.045 0.000 0.989 797 Q CA -1.286 54.534 55.803 0.028 0.000 0.864 797 Q CB 0.742 29.488 28.738 0.013 0.000 1.444 797 Q HN 0.041 nan 8.270 nan 0.000 0.388 798 M N 1.060 120.680 119.600 0.032 0.000 2.198 798 M HA 0.610 5.090 4.480 -0.000 0.000 0.315 798 M C -0.845 175.504 176.300 0.081 0.000 1.134 798 M CA -0.163 55.178 55.300 0.068 0.000 1.171 798 M CB 1.522 34.129 32.600 0.012 0.000 1.413 798 M HN 0.581 nan 8.290 nan 0.000 0.467 799 V N 2.086 122.104 119.914 0.173 0.000 2.777 799 V HA 0.520 4.640 4.120 -0.000 0.000 0.306 799 V C -2.462 173.772 176.094 0.233 0.000 1.112 799 V CA -1.353 61.038 62.300 0.151 0.000 0.917 799 V CB 2.070 33.973 31.823 0.132 0.000 1.018 799 V HN 0.730 nan 8.190 nan 0.000 0.426 800 P HA 0.352 nan 4.420 nan 0.000 0.276 800 P C 0.537 177.673 177.300 -0.273 0.000 1.261 800 P CA -0.261 62.932 63.100 0.155 0.000 0.800 800 P CB 1.404 33.216 31.700 0.187 0.000 1.066 801 F N 0.755 120.542 119.950 -0.272 0.000 2.098 801 F HA -0.207 4.320 4.527 -0.000 0.000 0.294 801 F C 2.835 178.383 175.800 -0.420 0.000 1.107 801 F CA 2.575 60.364 58.000 -0.351 0.000 1.234 801 F CB -0.748 38.296 39.000 0.073 0.000 1.002 801 F HN 0.306 nan 8.300 nan 0.000 0.472 802 S N 0.610 116.324 115.700 0.022 0.000 2.409 802 S HA -0.370 4.100 4.470 -0.000 0.000 0.237 802 S C 2.154 176.700 174.600 -0.091 0.000 1.060 802 S CA 1.154 59.361 58.200 0.012 0.000 1.052 802 S CB -1.385 61.843 63.200 0.047 0.000 0.871 802 S HN 0.403 nan 8.310 nan 0.000 0.465 803 A N 2.603 125.283 122.820 -0.233 0.000 1.849 803 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 803 A C 2.115 179.619 177.584 -0.134 0.000 1.202 803 A CA 1.777 53.691 52.037 -0.205 0.000 0.629 803 A CB -1.298 17.544 19.000 -0.263 0.000 0.834 803 A HN 0.975 nan 8.150 nan 0.000 0.447 804 F N 0.053 119.991 119.950 -0.021 0.000 2.765 804 F HA 0.315 4.842 4.527 -0.000 0.000 0.302 804 F C 1.189 176.960 175.800 -0.048 0.000 1.111 804 F CA 0.037 58.005 58.000 -0.053 0.000 1.359 804 F CB -0.454 38.484 39.000 -0.104 0.000 1.097 804 F HN 0.213 nan 8.300 nan 0.000 0.577 805 S N 0.783 116.622 115.700 0.232 0.000 2.686 805 S HA 0.543 5.013 4.470 -0.000 0.000 0.270 805 S C 0.090 174.762 174.600 0.119 0.000 1.194 805 S CA -0.012 58.332 58.200 0.241 0.000 0.990 805 S CB 1.516 64.895 63.200 0.299 0.000 1.029 805 S HN 0.321 nan 8.310 nan 0.000 0.560 806 S N 0.648 116.391 115.700 0.073 0.000 2.357 806 S HA 0.336 4.806 4.470 -0.000 0.000 0.209 806 S C -0.768 173.793 174.600 -0.065 0.000 0.981 806 S CA -0.454 57.754 58.200 0.013 0.000 1.106 806 S CB 0.333 63.532 63.200 -0.003 0.000 1.266 806 S HN 1.098 nan 8.310 nan 0.000 0.410 807 S N 4.219 119.898 115.700 -0.036 0.000 2.499 807 S HA 0.761 5.231 4.470 -0.000 0.000 0.275 807 S C -0.158 174.354 174.600 -0.146 0.000 1.257 807 S CA -0.378 57.735 58.200 -0.144 0.000 1.050 807 S CB -0.029 63.271 63.200 0.167 0.000 0.937 807 S HN 0.956 nan 8.310 nan 0.000 0.490 808 R N 2.757 123.030 120.500 -0.378 0.000 2.736 808 R HA 0.307 4.647 4.340 -0.000 0.000 0.250 808 R C -1.864 174.298 176.300 -0.230 0.000 1.098 808 R CA -0.951 55.068 56.100 -0.135 0.000 0.978 808 R CB -0.128 30.125 30.300 -0.078 0.000 1.263 808 R HN 0.514 nan 8.270 nan 0.000 0.460 809 W N 1.517 122.741 121.300 -0.128 0.000 2.141 809 W HA 0.522 5.182 4.660 -0.000 0.000 0.354 809 W C 0.574 177.026 176.519 -0.113 0.000 1.297 809 W CA 0.083 57.379 57.345 -0.082 0.000 1.380 809 W CB 0.780 30.234 29.460 -0.009 0.000 1.168 809 W HN 0.605 nan 8.180 nan 0.000 0.639 810 E N -0.765 119.530 120.200 0.159 0.000 2.460 810 E HA 0.286 4.636 4.350 -0.000 0.000 0.277 810 E C -1.921 174.774 176.600 0.158 0.000 1.010 810 E CA -0.975 55.469 56.400 0.074 0.000 0.838 810 E CB 1.905 31.627 29.700 0.036 0.000 1.448 810 E HN 0.177 nan 8.360 nan 0.000 0.462 811 Y N 0.227 120.575 120.300 0.081 0.000 2.447 811 Y HA 0.536 5.086 4.550 -0.000 0.000 0.325 811 Y C 0.207 176.141 175.900 0.056 0.000 0.976 811 Y CA -0.679 57.465 58.100 0.074 0.000 1.280 811 Y CB 1.404 39.893 38.460 0.049 0.000 1.104 811 Y HN 0.605 nan 8.280 nan 0.000 0.486 812 G N 0.625 109.568 108.800 0.239 0.000 2.932 812 G HA2 0.526 4.486 3.960 -0.000 0.000 0.283 812 G HA3 0.526 4.486 3.960 -0.000 0.000 0.283 812 G C -1.017 173.975 174.900 0.153 0.000 1.336 812 G CA -0.873 44.326 45.100 0.166 0.000 1.056 812 G HN 0.398 nan 8.290 nan 0.000 0.522 813 S N -0.663 115.149 115.700 0.187 0.000 2.532 813 S HA 0.660 5.130 4.470 -0.000 0.000 0.301 813 S C -2.110 172.538 174.600 0.080 0.000 1.083 813 S CA -1.526 56.767 58.200 0.155 0.000 1.025 813 S CB 2.426 65.794 63.200 0.280 0.000 1.056 813 S HN 0.262 nan 8.310 nan 0.000 0.494 814 P HA 0.247 nan 4.420 nan 0.000 0.257 814 P C -0.356 176.957 177.300 0.021 0.000 1.325 814 P CA 0.101 63.226 63.100 0.041 0.000 0.850 814 P CB -0.273 31.456 31.700 0.049 0.000 1.324 815 R N 0.642 121.142 120.500 0.001 0.000 2.658 815 R HA 0.344 4.684 4.340 -0.000 0.000 0.287 815 R C -1.788 174.471 176.300 -0.070 0.000 1.209 815 R CA -0.436 55.654 56.100 -0.016 0.000 1.046 815 R CB 0.341 30.647 30.300 0.009 0.000 1.247 815 R HN -0.130 nan 8.270 nan 0.000 0.405 816 L N 4.235 125.402 121.223 -0.094 0.000 2.313 816 L HA 0.461 4.801 4.340 -0.000 0.000 0.273 816 L C -0.134 176.683 176.870 -0.090 0.000 1.028 816 L CA -0.809 53.929 54.840 -0.169 0.000 0.871 816 L CB 1.460 43.400 42.059 -0.199 0.000 1.242 816 L HN 0.614 nan 8.230 nan 0.000 0.434 817 E N 3.277 123.436 120.200 -0.068 0.000 2.390 817 E HA 0.410 4.760 4.350 -0.000 0.000 0.261 817 E C -0.521 176.072 176.600 -0.013 0.000 1.076 817 E CA -0.295 56.094 56.400 -0.019 0.000 0.905 817 E CB 0.847 30.550 29.700 0.005 0.000 0.984 817 E HN 0.420 nan 8.360 nan 0.000 0.427 818 R N 2.255 122.763 120.500 0.014 0.000 2.518 818 R HA 0.179 4.518 4.340 -0.000 0.000 0.296 818 R C -1.549 174.779 176.300 0.048 0.000 1.080 818 R CA -0.654 55.459 56.100 0.022 0.000 0.922 818 R CB 0.953 31.251 30.300 -0.003 0.000 1.184 818 R HN 0.550 nan 8.270 nan 0.000 0.445 819 Y N 4.053 124.318 120.300 -0.058 0.000 2.404 819 Y HA 0.153 4.703 4.550 -0.000 0.000 0.344 819 Y C 0.165 176.032 175.900 -0.055 0.000 0.970 819 Y CA -0.163 57.896 58.100 -0.068 0.000 1.180 819 Y CB 0.654 39.044 38.460 -0.117 0.000 1.138 819 Y HN 0.672 nan 8.280 nan 0.000 0.510 820 N N 4.741 123.293 118.700 -0.247 0.000 2.753 820 N HA -0.178 4.562 4.740 -0.000 0.000 0.252 820 N C 0.715 176.193 175.510 -0.054 0.000 1.071 820 N CA 1.214 54.168 53.050 -0.160 0.000 0.690 820 N CB -1.109 37.322 38.487 -0.094 0.000 0.906 820 N HN 1.269 nan 8.380 nan 0.000 0.552 821 G N -1.345 107.423 108.800 -0.054 0.000 2.212 821 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.266 821 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.266 821 G C 0.044 174.936 174.900 -0.014 0.000 0.978 821 G CA 0.906 45.987 45.100 -0.032 0.000 0.632 821 G HN 0.499 nan 8.290 nan 0.000 0.537 822 L N 0.198 121.420 121.223 -0.000 0.000 2.350 822 L HA 0.624 4.964 4.340 -0.000 0.000 0.260 822 L C -2.274 174.605 176.870 0.015 0.000 1.015 822 L CA -2.831 52.013 54.840 0.007 0.000 0.821 822 L CB 2.151 44.215 42.059 0.008 0.000 1.370 822 L HN -0.179 nan 8.230 nan 0.000 0.416 823 P HA 0.086 nan 4.420 nan 0.000 0.269 823 P C -0.702 176.605 177.300 0.011 0.000 1.209 823 P CA 0.069 63.173 63.100 0.007 0.000 0.776 823 P CB 1.488 33.196 31.700 0.013 0.000 0.876 824 S N 1.663 117.365 115.700 0.004 0.000 2.560 824 S HA 0.554 5.024 4.470 -0.000 0.000 0.283 824 S C -1.313 173.276 174.600 -0.018 0.000 1.141 824 S CA -0.649 57.544 58.200 -0.011 0.000 0.902 824 S CB 0.423 63.622 63.200 -0.001 0.000 1.104 824 S HN 0.291 nan 8.310 nan 0.000 0.454 825 M N 3.771 123.355 119.600 -0.026 0.000 2.190 825 M HA 0.398 4.877 4.480 -0.000 0.000 0.312 825 M C -0.196 176.087 176.300 -0.029 0.000 0.990 825 M CA -0.531 54.763 55.300 -0.010 0.000 0.927 825 M CB 1.750 34.367 32.600 0.028 0.000 1.571 825 M HN 0.701 nan 8.290 nan 0.000 0.427 826 E N 4.504 124.690 120.200 -0.023 0.000 2.319 826 E HA 0.517 4.867 4.350 -0.000 0.000 0.268 826 E C -1.195 175.423 176.600 0.031 0.000 1.050 826 E CA -0.619 55.761 56.400 -0.034 0.000 0.878 826 E CB 1.386 31.067 29.700 -0.032 0.000 1.066 826 E HN 0.597 nan 8.360 nan 0.000 0.406 827 I N 4.091 124.714 120.570 0.088 0.000 2.476 827 I HA 0.169 4.339 4.170 -0.000 0.000 0.281 827 I C -0.550 175.674 176.117 0.178 0.000 1.040 827 I CA -0.622 60.770 61.300 0.155 0.000 1.094 827 I CB 1.129 39.289 38.000 0.267 0.000 1.219 827 I HN 0.629 nan 8.210 nan 0.000 0.450 828 L N 6.093 127.338 121.223 0.036 0.000 2.352 828 L HA 0.446 4.786 4.340 -0.000 0.000 0.272 828 L C 0.925 177.620 176.870 -0.291 0.000 1.109 828 L CA -0.220 54.570 54.840 -0.084 0.000 0.952 828 L CB 0.569 42.585 42.059 -0.072 0.000 1.314 828 L HN 0.635 nan 8.230 nan 0.000 0.427 829 G N 1.859 110.229 108.800 -0.717 0.000 2.521 829 G HA2 0.647 4.607 3.960 -0.000 0.000 0.323 829 G HA3 0.647 4.607 3.960 -0.000 0.000 0.323 829 G C -0.843 173.258 174.900 -1.331 0.000 1.211 829 G CA -0.307 44.170 45.100 -1.038 0.000 0.979 829 G HN 0.465 nan 8.290 nan 0.000 0.490 830 Q N -1.230 118.125 119.800 -0.742 0.000 2.496 830 Q HA 0.613 4.953 4.340 -0.000 0.000 0.286 830 Q C -0.045 175.884 176.000 -0.119 0.000 1.103 830 Q CA -0.923 54.643 55.803 -0.395 0.000 0.813 830 Q CB 2.348 30.951 28.738 -0.226 0.000 1.444 830 Q HN 0.784 nan 8.270 nan 0.000 0.443 831 A N 0.670 123.491 122.820 0.002 0.000 2.448 831 A HA 0.523 4.843 4.320 -0.000 0.000 0.239 831 A C 0.010 177.595 177.584 0.001 0.000 1.080 831 A CA 0.293 52.361 52.037 0.050 0.000 0.779 831 A CB -0.106 18.912 19.000 0.030 0.000 1.026 831 A HN 0.732 nan 8.150 nan 0.000 0.499 832 A N 2.289 125.114 122.820 0.008 0.000 2.492 832 A HA 0.440 4.759 4.320 -0.000 0.000 0.236 832 A C -0.840 176.732 177.584 -0.020 0.000 1.078 832 A CA -0.342 51.688 52.037 -0.011 0.000 0.773 832 A CB -0.404 18.591 19.000 -0.009 0.000 1.023 832 A HN 0.683 nan 8.150 nan 0.000 0.504 833 P HA -0.074 nan 4.420 nan 0.000 0.222 833 P C 1.239 178.526 177.300 -0.023 0.000 1.147 833 P CA 1.807 64.892 63.100 -0.025 0.000 0.790 833 P CB 0.064 31.750 31.700 -0.025 0.000 0.780 834 G N -0.167 108.622 108.800 -0.019 0.000 2.570 834 G HA2 0.013 3.973 3.960 -0.000 0.000 0.209 834 G HA3 0.013 3.973 3.960 -0.000 0.000 0.209 834 G C 0.818 175.706 174.900 -0.020 0.000 1.168 834 G CA 0.023 45.112 45.100 -0.018 0.000 0.831 834 G HN 0.204 nan 8.290 nan 0.000 0.564 835 K N 0.057 120.448 120.400 -0.015 0.000 2.233 835 K HA 0.460 4.780 4.320 -0.000 0.000 0.239 835 K C -0.636 175.954 176.600 -0.016 0.000 1.064 835 K CA 0.112 56.389 56.287 -0.015 0.000 0.884 835 K CB 0.820 33.314 32.500 -0.010 0.000 1.166 835 K HN 0.124 nan 8.250 nan 0.000 0.512 836 S N 0.064 115.754 115.700 -0.018 0.000 2.387 836 S HA 0.190 4.660 4.470 -0.000 0.000 0.211 836 S C -0.278 174.309 174.600 -0.022 0.000 1.055 836 S CA 0.022 58.211 58.200 -0.018 0.000 1.133 836 S CB -0.021 63.162 63.200 -0.028 0.000 1.235 836 S HN 0.779 nan 8.310 nan 0.000 0.425 837 T N 3.415 117.964 114.554 -0.008 0.000 13.871 837 T HA -0.293 4.057 4.350 -0.000 0.000 0.419 837 T C 1.676 176.322 174.700 -0.091 0.000 1.441 837 T CA 1.972 64.052 62.100 -0.033 0.000 2.341 837 T CB -1.832 67.008 68.868 -0.046 0.000 2.775 837 T HN 1.323 nan 8.240 nan 0.000 0.410 838 G N 1.975 110.714 108.800 -0.102 0.000 2.550 838 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.222 838 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.222 838 G C 1.187 176.030 174.900 -0.095 0.000 1.113 838 G CA 1.998 47.028 45.100 -0.117 0.000 0.748 838 G HN 0.847 nan 8.290 nan 0.000 0.585 839 E N 0.658 120.820 120.200 -0.064 0.000 2.005 839 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 839 E C 3.016 179.584 176.600 -0.053 0.000 0.987 839 E CA 0.734 57.106 56.400 -0.047 0.000 0.814 839 E CB -0.406 29.277 29.700 -0.028 0.000 0.772 839 E HN 0.364 nan 8.360 nan 0.000 0.453 840 A N 1.474 124.272 122.820 -0.035 0.000 1.940 840 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 840 A C 2.219 179.747 177.584 -0.094 0.000 1.176 840 A CA 1.537 53.564 52.037 -0.016 0.000 0.631 840 A CB -0.571 18.485 19.000 0.095 0.000 0.814 840 A HN 0.171 nan 8.150 nan 0.000 0.446 841 M N -0.658 118.830 119.600 -0.187 0.000 2.067 841 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 841 M C 2.062 178.280 176.300 -0.135 0.000 1.069 841 M CA 2.172 57.247 55.300 -0.376 0.000 1.117 841 M CB -0.258 31.941 32.600 -0.668 0.000 1.334 841 M HN 0.686 nan 8.290 nan 0.000 0.407 842 E N -0.072 120.061 120.200 -0.112 0.000 2.502 842 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 842 E C 0.987 177.564 176.600 -0.038 0.000 1.062 842 E CA 0.731 57.107 56.400 -0.039 0.000 0.867 842 E CB -0.375 29.303 29.700 -0.037 0.000 0.888 842 E HN 0.516 nan 8.360 nan 0.000 0.510 843 L N -0.029 121.157 121.223 -0.062 0.000 2.818 843 L HA 0.338 4.678 4.340 -0.000 0.000 0.243 843 L C 1.518 178.311 176.870 -0.128 0.000 1.185 843 L CA -0.140 54.660 54.840 -0.067 0.000 0.988 843 L CB 0.097 42.127 42.059 -0.048 0.000 1.292 843 L HN 0.252 nan 8.230 nan 0.000 0.519 844 M N -1.339 118.155 119.600 -0.176 0.000 2.564 844 M HA 0.087 4.567 4.480 -0.000 0.000 0.254 844 M C 1.602 177.628 176.300 -0.456 0.000 1.299 844 M CA 0.690 55.768 55.300 -0.370 0.000 1.143 844 M CB 0.502 32.766 32.600 -0.560 0.000 1.427 844 M HN 0.193 nan 8.290 nan 0.000 0.538 845 E N 0.886 120.933 120.200 -0.255 0.000 2.204 845 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 845 E C 1.629 178.108 176.600 -0.201 0.000 0.989 845 E CA 1.266 57.476 56.400 -0.317 0.000 0.824 845 E CB 0.050 29.767 29.700 0.028 0.000 0.756 845 E HN 0.551 nan 8.360 nan 0.000 0.477 846 Q N 0.285 120.018 119.800 -0.110 0.000 2.378 846 Q HA -0.015 4.325 4.340 -0.000 0.000 0.205 846 Q C 1.773 177.736 176.000 -0.062 0.000 0.954 846 Q CA 0.848 56.622 55.803 -0.048 0.000 0.901 846 Q CB -0.287 28.444 28.738 -0.011 0.000 0.981 846 Q HN 0.255 nan 8.270 nan 0.000 0.483 847 L N -0.241 120.905 121.223 -0.128 0.000 2.249 847 L HA 0.216 4.556 4.340 -0.000 0.000 0.207 847 L C 2.147 178.941 176.870 -0.127 0.000 1.090 847 L CA 0.733 55.505 54.840 -0.113 0.000 0.802 847 L CB -0.303 41.660 42.059 -0.158 0.000 0.947 847 L HN 0.372 nan 8.230 nan 0.000 0.453 848 A N -0.327 122.365 122.820 -0.213 0.000 2.067 848 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 848 A C 2.387 179.969 177.584 -0.003 0.000 1.156 848 A CA 1.344 53.298 52.037 -0.140 0.000 0.683 848 A CB -0.338 18.499 19.000 -0.272 0.000 0.808 848 A HN 0.468 nan 8.150 nan 0.000 0.455 849 S N -0.644 115.057 115.700 0.002 0.000 2.489 849 S HA 0.052 4.522 4.470 -0.000 0.000 0.228 849 S C 1.197 175.823 174.600 0.043 0.000 0.995 849 S CA 0.709 58.956 58.200 0.078 0.000 0.934 849 S CB -0.184 63.072 63.200 0.093 0.000 0.771 849 S HN 0.481 nan 8.310 nan 0.000 0.522 850 K N 1.010 121.419 120.400 0.015 0.000 2.684 850 K HA 0.404 4.724 4.320 -0.000 0.000 0.215 850 K C -0.478 176.130 176.600 0.013 0.000 1.073 850 K CA -0.136 56.159 56.287 0.013 0.000 1.197 850 K CB 0.012 32.517 32.500 0.008 0.000 0.955 850 K HN 0.415 nan 8.250 nan 0.000 0.473 851 L N 0.551 121.787 121.223 0.021 0.000 2.335 851 L HA 0.460 4.800 4.340 -0.000 0.000 0.268 851 L C -1.970 174.915 176.870 0.025 0.000 1.016 851 L CA -2.357 52.496 54.840 0.022 0.000 0.805 851 L CB 0.663 42.739 42.059 0.028 0.000 1.311 851 L HN -0.023 nan 8.230 nan 0.000 0.456 852 P HA 0.094 nan 4.420 nan 0.000 0.272 852 P C -0.647 176.666 177.300 0.022 0.000 1.254 852 P CA -0.353 62.758 63.100 0.018 0.000 0.795 852 P CB 0.233 31.942 31.700 0.014 0.000 1.022 853 T N 0.015 114.579 114.554 0.017 0.000 2.918 853 T HA 0.386 4.736 4.350 -0.000 0.000 0.302 853 T C 1.119 175.828 174.700 0.014 0.000 1.045 853 T CA 1.059 63.168 62.100 0.015 0.000 1.114 853 T CB -0.092 68.783 68.868 0.011 0.000 0.965 853 T HN 0.826 nan 8.240 nan 0.000 0.540 854 G N 0.985 109.792 108.800 0.012 0.000 2.147 854 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.244 854 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.244 854 G C -0.008 174.898 174.900 0.011 0.000 1.005 854 G CA -0.060 45.044 45.100 0.008 0.000 0.713 854 G HN 0.778 nan 8.290 nan 0.000 0.515 855 V N 0.522 120.447 119.914 0.019 0.000 2.439 855 V HA 0.713 4.833 4.120 -0.000 0.000 0.277 855 V C 0.881 177.004 176.094 0.048 0.000 1.008 855 V CA 0.124 62.440 62.300 0.027 0.000 0.846 855 V CB 1.074 32.918 31.823 0.034 0.000 1.031 855 V HN 0.759 nan 8.190 nan 0.000 0.441 856 G N 3.800 112.610 108.800 0.017 0.000 2.702 856 G HA2 0.778 4.737 3.960 -0.000 0.000 0.254 856 G HA3 0.778 4.737 3.960 -0.000 0.000 0.254 856 G C -1.016 173.905 174.900 0.035 0.000 1.380 856 G CA -0.343 44.759 45.100 0.004 0.000 1.042 856 G HN 0.849 nan 8.290 nan 0.000 0.557 857 Y N -2.868 117.313 120.300 -0.198 0.000 2.713 857 Y HA 0.690 5.240 4.550 -0.000 0.000 0.335 857 Y C -1.966 173.660 175.900 -0.456 0.000 1.222 857 Y CA -1.457 56.380 58.100 -0.438 0.000 1.061 857 Y CB 1.922 40.100 38.460 -0.470 0.000 1.314 857 Y HN 0.625 nan 8.280 nan 0.000 0.453 858 D N 0.090 120.144 120.400 -0.576 0.000 2.746 858 D HA 0.240 4.880 4.640 -0.000 0.000 0.211 858 D C -1.779 174.145 176.300 -0.627 0.000 1.242 858 D CA -0.648 53.074 54.000 -0.464 0.000 0.790 858 D CB 1.086 41.678 40.800 -0.347 0.000 1.744 858 D HN 0.602 nan 8.370 nan 0.000 0.520 870 G N 2.588 111.505 108.800 0.196 0.000 2.690 870 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.686 870 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.686 870 G C -0.023 174.956 174.900 0.132 0.000 1.277 870 G CA 0.381 45.570 45.100 0.149 0.000 0.799 870 G HN 0.975 nan 8.290 nan 0.000 0.613 871 N N 0.383 119.135 118.700 0.086 0.000 2.364 871 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 871 N C 1.947 177.522 175.510 0.108 0.000 1.022 871 N CA 2.170 55.265 53.050 0.075 0.000 0.883 871 N CB -0.106 38.405 38.487 0.040 0.000 0.965 871 N HN 1.000 nan 8.380 nan 0.000 0.438 872 Q N 0.383 120.265 119.800 0.136 0.000 2.078 872 Q HA -0.390 3.950 4.340 -0.000 0.000 0.222 872 Q C 1.900 178.029 176.000 0.215 0.000 1.073 872 Q CA 3.347 59.265 55.803 0.192 0.000 0.926 872 Q CB -1.214 27.694 28.738 0.284 0.000 1.054 872 Q HN 0.512 nan 8.270 nan 0.000 0.450 873 A N 0.157 123.131 122.820 0.256 0.000 1.859 873 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 873 A C -0.220 177.527 177.584 0.272 0.000 1.198 873 A CA 2.151 54.378 52.037 0.317 0.000 0.629 873 A CB -2.089 17.065 19.000 0.256 0.000 0.830 873 A HN 0.592 nan 8.150 nan 0.000 0.446 874 P HA -0.226 nan 4.420 nan 0.000 0.222 874 P C 1.726 179.103 177.300 0.128 0.000 1.157 874 P CA 2.353 65.519 63.100 0.108 0.000 0.905 874 P CB -0.199 31.548 31.700 0.078 0.000 0.792 875 S N -1.469 114.308 115.700 0.128 0.000 2.356 875 S HA -0.002 4.468 4.470 -0.000 0.000 0.219 875 S C 1.922 176.610 174.600 0.146 0.000 1.036 875 S CA 0.701 58.967 58.200 0.111 0.000 0.965 875 S CB -1.004 62.245 63.200 0.081 0.000 0.864 875 S HN 0.062 nan 8.310 nan 0.000 0.471 876 L N 0.184 121.514 121.223 0.179 0.000 1.991 876 L HA -0.245 4.095 4.340 -0.000 0.000 0.221 876 L C 2.362 179.294 176.870 0.104 0.000 1.079 876 L CA 2.026 56.965 54.840 0.164 0.000 0.778 876 L CB -1.042 41.101 42.059 0.141 0.000 0.893 876 L HN 0.346 nan 8.230 nan 0.000 0.437 877 Y N -0.055 120.270 120.300 0.042 0.000 2.207 877 Y HA -0.250 4.300 4.550 -0.000 0.000 0.287 877 Y C 2.670 178.583 175.900 0.022 0.000 1.156 877 Y CA 1.230 59.340 58.100 0.018 0.000 1.182 877 Y CB -0.717 37.741 38.460 -0.003 0.000 0.979 877 Y HN 0.192 nan 8.280 nan 0.000 0.521 878 A N 0.316 123.242 122.820 0.176 0.000 1.903 878 A HA -0.249 4.070 4.320 -0.000 0.000 0.219 878 A C 2.073 179.700 177.584 0.072 0.000 1.191 878 A CA 2.409 54.504 52.037 0.097 0.000 0.638 878 A CB -1.129 17.914 19.000 0.072 0.000 0.823 878 A HN 0.471 nan 8.150 nan 0.000 0.451 879 I N -0.054 120.568 120.570 0.088 0.000 2.676 879 I HA -0.128 4.042 4.170 -0.000 0.000 0.259 879 I C 2.452 178.609 176.117 0.067 0.000 1.194 879 I CA 1.100 62.456 61.300 0.093 0.000 1.473 879 I CB -0.186 37.916 38.000 0.170 0.000 1.096 879 I HN 0.148 nan 8.210 nan 0.000 0.443 880 S N 1.042 116.762 115.700 0.033 0.000 2.370 880 S HA -0.100 4.370 4.470 -0.000 0.000 0.226 880 S C 1.955 176.566 174.600 0.018 0.000 1.033 880 S CA 1.308 59.504 58.200 -0.006 0.000 1.011 880 S CB -0.427 62.726 63.200 -0.078 0.000 0.852 880 S HN 0.421 nan 8.310 nan 0.000 0.457 881 L N 0.456 121.700 121.223 0.034 0.000 2.275 881 L HA 0.023 4.363 4.340 -0.000 0.000 0.215 881 L C 1.861 178.733 176.870 0.004 0.000 1.119 881 L CA 0.902 55.752 54.840 0.017 0.000 0.790 881 L CB -0.677 41.388 42.059 0.011 0.000 0.919 881 L HN 0.308 nan 8.230 nan 0.000 0.443 882 I N -1.264 119.314 120.570 0.015 0.000 2.731 882 I HA -0.081 4.089 4.170 -0.000 0.000 0.260 882 I C 2.146 178.295 176.117 0.053 0.000 1.138 882 I CA 0.294 61.600 61.300 0.011 0.000 1.461 882 I CB 0.105 38.109 38.000 0.007 0.000 1.128 882 I HN -0.079 nan 8.210 nan 0.000 0.438 883 V N 0.343 120.290 119.914 0.054 0.000 2.951 883 V HA -0.101 4.019 4.120 -0.000 0.000 0.255 883 V C 2.384 178.508 176.094 0.050 0.000 1.088 883 V CA 0.809 63.145 62.300 0.059 0.000 1.109 883 V CB -0.118 31.738 31.823 0.054 0.000 0.724 883 V HN 0.201 nan 8.190 nan 0.000 0.471 884 V N -0.283 119.653 119.914 0.037 0.000 2.233 884 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 884 V C 2.183 178.289 176.094 0.020 0.000 1.050 884 V CA 2.500 64.805 62.300 0.010 0.000 1.010 884 V CB -0.792 31.024 31.823 -0.011 0.000 0.637 884 V HN 0.515 nan 8.190 nan 0.000 0.444 885 F N -0.195 119.687 119.950 -0.113 0.000 2.202 885 F HA -0.177 4.350 4.527 -0.000 0.000 0.301 885 F C 2.117 177.879 175.800 -0.063 0.000 1.082 885 F CA 1.427 59.335 58.000 -0.155 0.000 1.313 885 F CB -0.089 38.763 39.000 -0.246 0.000 1.024 885 F HN 0.002 nan 8.300 nan 0.000 0.495 886 L N -1.068 120.245 121.223 0.149 0.000 1.973 886 L HA -0.288 4.052 4.340 -0.000 0.000 0.208 886 L C 2.563 179.478 176.870 0.076 0.000 1.073 886 L CA 1.765 56.679 54.840 0.122 0.000 0.746 886 L CB -1.477 40.646 42.059 0.107 0.000 0.891 886 L HN 0.183 nan 8.230 nan 0.000 0.433 887 C N 0.082 119.418 119.300 0.060 0.000 2.409 887 C HA -0.131 4.329 4.460 -0.000 0.000 0.284 887 C C 2.415 177.475 174.990 0.118 0.000 1.354 887 C CA 0.130 59.188 59.018 0.066 0.000 1.787 887 C CB -0.945 26.824 27.740 0.048 0.000 1.900 887 C HN 0.416 nan 8.230 nan 0.000 0.520 888 L N 0.320 121.566 121.223 0.039 0.000 2.627 888 L HA 0.173 4.513 4.340 -0.000 0.000 0.232 888 L C 1.561 178.477 176.870 0.076 0.000 1.150 888 L CA 0.842 55.696 54.840 0.024 0.000 0.917 888 L CB -0.652 41.270 42.059 -0.228 0.000 1.104 888 L HN 0.395 nan 8.230 nan 0.000 0.445 889 A N -2.136 120.747 122.820 0.105 0.000 2.716 889 A HA 0.460 4.780 4.320 -0.000 0.000 0.252 889 A C 1.581 179.223 177.584 0.097 0.000 1.144 889 A CA 0.552 52.675 52.037 0.144 0.000 0.995 889 A CB 0.126 19.271 19.000 0.242 0.000 1.252 889 A HN 0.176 nan 8.150 nan 0.000 0.593 890 A N -0.633 122.220 122.820 0.054 0.000 2.081 890 A HA 0.437 4.757 4.320 -0.000 0.000 0.214 890 A C 1.254 178.773 177.584 -0.109 0.000 1.158 890 A CA 1.103 53.139 52.037 -0.002 0.000 0.724 890 A CB -0.027 18.980 19.000 0.012 0.000 0.826 890 A HN 0.360 nan 8.150 nan 0.000 0.463 891 L N -2.327 118.744 121.223 -0.253 0.000 3.086 891 L HA 0.276 4.616 4.340 -0.000 0.000 0.274 891 L C -0.619 175.766 176.870 -0.807 0.000 1.184 891 L CA 0.650 55.128 54.840 -0.604 0.000 1.002 891 L CB -0.668 40.843 42.059 -0.913 0.000 1.383 891 L HN 0.512 nan 8.230 nan 0.000 0.582 892 Y N 0.701 120.992 120.300 -0.016 0.000 2.501 892 Y HA 0.245 4.795 4.550 -0.000 0.000 0.331 892 Y C 0.532 176.429 175.900 -0.005 0.000 0.950 892 Y CA -1.282 56.807 58.100 -0.019 0.000 1.120 892 Y CB 0.258 38.697 38.460 -0.035 0.000 1.154 892 Y HN 0.155 nan 8.280 nan 0.000 0.630 893 E N 0.162 120.395 120.200 0.056 0.000 2.417 893 E HA 0.348 4.698 4.350 -0.000 0.000 0.261 893 E C 0.317 176.892 176.600 -0.041 0.000 1.000 893 E CA 0.803 57.199 56.400 -0.007 0.000 0.919 893 E CB 0.848 30.499 29.700 -0.081 0.000 0.955 893 E HN 0.518 nan 8.360 nan 0.000 0.455 894 S N 2.363 118.018 115.700 -0.075 0.000 5.309 894 S HA -0.060 4.409 4.470 -0.000 0.000 0.106 894 S C 0.234 174.871 174.600 0.062 0.000 1.057 894 S CA -0.216 57.933 58.200 -0.086 0.000 1.384 894 S CB -0.990 62.222 63.200 0.020 0.000 1.547 894 S HN 0.857 nan 8.310 nan 0.000 0.431 895 W N 1.697 123.063 121.300 0.109 0.000 1.967 895 W HA -0.247 4.413 4.660 -0.000 0.000 0.288 895 W C 1.256 177.910 176.519 0.224 0.000 1.145 895 W CA 0.346 57.871 57.345 0.299 0.000 0.486 895 W CB -1.917 27.711 29.460 0.281 0.000 2.191 895 W HN 0.654 nan 8.180 nan 0.000 1.109 896 S N -1.005 114.903 115.700 0.348 0.000 2.807 896 S HA 0.096 4.566 4.470 -0.000 0.000 0.247 896 S C 1.166 175.866 174.600 0.165 0.000 1.078 896 S CA 0.663 58.967 58.200 0.173 0.000 0.867 896 S CB -0.272 62.935 63.200 0.012 0.000 0.797 896 S HN 0.125 nan 8.310 nan 0.000 0.515 897 I N 2.980 123.613 120.570 0.106 0.000 2.315 897 I HA 0.040 4.210 4.170 -0.000 0.000 0.248 897 I C -1.271 174.807 176.117 -0.065 0.000 1.117 897 I CA 0.701 62.001 61.300 -0.000 0.000 1.404 897 I CB -1.021 36.972 38.000 -0.011 0.000 1.071 897 I HN 0.271 nan 8.210 nan 0.000 0.419 898 P HA -0.046 nan 4.420 nan 0.000 0.242 898 P C 0.717 177.748 177.300 -0.447 0.000 1.197 898 P CA 1.254 64.083 63.100 -0.451 0.000 0.765 898 P CB -0.145 30.890 31.700 -1.109 0.000 0.936 899 F N -1.599 118.321 119.950 -0.049 0.000 2.746 899 F HA 0.097 4.623 4.527 -0.000 0.000 0.313 899 F C 2.202 177.986 175.800 -0.026 0.000 1.095 899 F CA 0.138 58.148 58.000 0.016 0.000 1.224 899 F CB -0.642 38.393 39.000 0.059 0.000 1.060 899 F HN -0.128 nan 8.300 nan 0.000 0.584 900 S N 0.108 115.865 115.700 0.096 0.000 2.412 900 S HA -0.167 4.303 4.470 -0.000 0.000 0.199 900 S C 2.045 176.620 174.600 -0.043 0.000 1.099 900 S CA 1.054 59.260 58.200 0.010 0.000 1.243 900 S CB -1.155 62.025 63.200 -0.032 0.000 0.996 900 S HN 0.035 nan 8.310 nan 0.000 0.402 901 V N 2.000 121.850 119.914 -0.107 0.000 2.310 901 V HA -0.329 3.790 4.120 -0.000 0.000 0.263 901 V C 2.631 178.679 176.094 -0.078 0.000 1.108 901 V CA 2.656 64.881 62.300 -0.125 0.000 1.104 901 V CB -0.835 30.872 31.823 -0.192 0.000 0.736 901 V HN 0.567 nan 8.190 nan 0.000 0.456 902 M N -1.794 117.768 119.600 -0.062 0.000 2.331 902 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 902 M C 1.838 178.155 176.300 0.029 0.000 1.072 902 M CA 1.783 57.068 55.300 -0.024 0.000 1.065 902 M CB -0.907 31.682 32.600 -0.018 0.000 1.392 902 M HN 0.410 nan 8.290 nan 0.000 0.427 903 L N -0.862 120.378 121.223 0.028 0.000 2.253 903 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 903 L C 2.332 179.276 176.870 0.123 0.000 1.078 903 L CA 0.496 55.390 54.840 0.089 0.000 0.805 903 L CB -0.840 41.170 42.059 -0.082 0.000 0.963 903 L HN 0.167 nan 8.230 nan 0.000 0.459 904 V N -2.708 117.226 119.914 0.033 0.000 2.794 904 V HA -0.186 3.934 4.120 -0.000 0.000 0.260 904 V C 2.423 178.520 176.094 0.005 0.000 1.103 904 V CA 1.071 63.380 62.300 0.014 0.000 1.125 904 V CB -1.353 30.442 31.823 -0.047 0.000 0.702 904 V HN 0.169 nan 8.190 nan 0.000 0.494 905 V N 1.189 121.107 119.914 0.006 0.000 2.214 905 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 905 V C 0.382 176.462 176.094 -0.023 0.000 1.051 905 V CA 2.876 65.166 62.300 -0.017 0.000 1.003 905 V CB -2.116 29.698 31.823 -0.014 0.000 0.635 905 V HN 0.588 nan 8.190 nan 0.000 0.447 906 P HA 0.139 nan 4.420 nan 0.000 0.255 906 P C 1.504 178.780 177.300 -0.040 0.000 1.248 906 P CA 0.199 63.264 63.100 -0.058 0.000 0.807 906 P CB 0.111 31.744 31.700 -0.111 0.000 1.150 907 L N 0.043 121.280 121.223 0.023 0.000 2.012 907 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 907 L C 2.461 179.333 176.870 0.003 0.000 1.073 907 L CA 2.547 57.411 54.840 0.039 0.000 0.748 907 L CB -1.463 40.641 42.059 0.076 0.000 0.891 907 L HN 0.066 nan 8.230 nan 0.000 0.431 908 G N -2.311 106.482 108.800 -0.011 0.000 2.459 908 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.213 908 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.213 908 G C 1.501 176.393 174.900 -0.013 0.000 1.155 908 G CA 0.559 45.648 45.100 -0.019 0.000 0.811 908 G HN 0.204 nan 8.290 nan 0.000 0.534 909 V N 1.248 121.145 119.914 -0.028 0.000 2.594 909 V HA -0.144 3.976 4.120 -0.000 0.000 0.253 909 V C 2.575 178.677 176.094 0.013 0.000 1.069 909 V CA 1.342 63.627 62.300 -0.025 0.000 1.082 909 V CB -0.301 31.478 31.823 -0.073 0.000 0.680 909 V HN 0.387 nan 8.190 nan 0.000 0.469 910 I N 1.683 122.250 120.570 -0.005 0.000 2.208 910 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 910 I C 2.248 178.390 176.117 0.043 0.000 1.097 910 I CA 2.068 63.374 61.300 0.011 0.000 1.363 910 I CB -0.855 37.129 38.000 -0.027 0.000 1.051 910 I HN 0.215 nan 8.210 nan 0.000 0.413 911 G N -0.445 108.376 108.800 0.035 0.000 2.421 911 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.217 911 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.217 911 G C 1.728 176.689 174.900 0.101 0.000 1.143 911 G CA 0.641 45.769 45.100 0.047 0.000 0.784 911 G HN 0.616 nan 8.290 nan 0.000 0.541 912 A N 0.951 123.852 122.820 0.134 0.000 1.858 912 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 912 A C 2.421 180.247 177.584 0.404 0.000 1.190 912 A CA 1.402 53.590 52.037 0.252 0.000 0.617 912 A CB -0.565 18.546 19.000 0.185 0.000 0.827 912 A HN 0.335 nan 8.150 nan 0.000 0.443 913 L N -1.003 120.453 121.223 0.389 0.000 1.997 913 L HA -0.246 4.094 4.340 -0.000 0.000 0.216 913 L C 2.658 179.626 176.870 0.164 0.000 1.074 913 L CA 1.794 56.843 54.840 0.350 0.000 0.763 913 L CB -0.551 41.666 42.059 0.264 0.000 0.890 913 L HN 0.466 nan 8.230 nan 0.000 0.434 914 L N -0.807 120.494 121.223 0.130 0.000 2.093 914 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 914 L C 2.679 179.608 176.870 0.099 0.000 1.085 914 L CA 1.269 56.162 54.840 0.089 0.000 0.755 914 L CB -0.268 41.818 42.059 0.044 0.000 0.904 914 L HN 0.254 nan 8.230 nan 0.000 0.435 915 A N -0.647 122.233 122.820 0.100 0.000 1.930 915 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 915 A C 2.251 179.903 177.584 0.113 0.000 1.175 915 A CA 1.560 53.665 52.037 0.112 0.000 0.627 915 A CB -0.618 18.444 19.000 0.103 0.000 0.815 915 A HN 0.501 nan 8.150 nan 0.000 0.443 916 A N -1.617 121.221 122.820 0.030 0.000 2.147 916 A HA 0.178 4.498 4.320 -0.000 0.000 0.211 916 A C 2.009 179.534 177.584 -0.097 0.000 1.160 916 A CA 1.450 53.427 52.037 -0.101 0.000 0.781 916 A CB -0.515 18.256 19.000 -0.381 0.000 0.842 916 A HN 0.369 nan 8.150 nan 0.000 0.475 917 T N -0.985 113.558 114.554 -0.018 0.000 3.014 917 T HA 0.011 4.361 4.350 -0.000 0.000 0.263 917 T C 1.480 176.221 174.700 0.068 0.000 1.078 917 T CA 1.092 63.194 62.100 0.002 0.000 1.135 917 T CB -0.265 68.624 68.868 0.034 0.000 0.895 917 T HN 0.459 nan 8.240 nan 0.000 0.480 918 F N 1.800 121.728 119.950 -0.037 0.000 2.118 918 F HA 0.299 4.826 4.527 -0.000 0.000 0.293 918 F C 1.348 177.130 175.800 -0.029 0.000 1.102 918 F CA 0.447 58.433 58.000 -0.023 0.000 1.247 918 F CB 0.004 38.998 39.000 -0.012 0.000 1.017 918 F HN -0.152 nan 8.300 nan 0.000 0.475 919 R N -0.249 120.219 120.500 -0.053 0.000 2.571 919 R HA 0.249 4.588 4.340 -0.000 0.000 0.259 919 R C 1.047 177.272 176.300 -0.125 0.000 1.226 919 R CA 0.369 56.381 56.100 -0.147 0.000 1.157 919 R CB 0.115 30.401 30.300 -0.024 0.000 1.220 919 R HN 0.280 nan 8.270 nan 0.000 0.605 920 G N 1.242 109.978 108.800 -0.106 0.000 3.210 920 G HA2 0.121 4.081 3.960 -0.000 0.000 0.220 920 G HA3 0.121 4.081 3.960 -0.000 0.000 0.220 920 G C 0.687 175.544 174.900 -0.071 0.000 1.200 920 G CA -0.143 44.904 45.100 -0.089 0.000 0.834 920 G HN 0.163 nan 8.290 nan 0.000 0.524 921 L N -0.760 120.413 121.223 -0.084 0.000 2.543 921 L HA 0.609 4.949 4.340 -0.000 0.000 0.231 921 L C 0.672 177.465 176.870 -0.128 0.000 1.194 921 L CA -0.148 54.636 54.840 -0.093 0.000 0.823 921 L CB 0.632 42.618 42.059 -0.122 0.000 1.374 921 L HN 0.059 nan 8.230 nan 0.000 0.507 922 T N -1.376 113.093 114.554 -0.142 0.000 2.647 922 T HA 0.194 4.544 4.350 -0.000 0.000 0.295 922 T C -0.732 173.864 174.700 -0.174 0.000 1.126 922 T CA -0.622 61.393 62.100 -0.142 0.000 1.040 922 T CB 1.421 70.257 68.868 -0.053 0.000 1.472 922 T HN 0.595 nan 8.240 nan 0.000 0.500 923 N N 1.398 120.069 118.700 -0.047 0.000 2.968 923 N HA 0.259 4.999 4.740 -0.000 0.000 0.271 923 N C -0.261 175.367 175.510 0.196 0.000 1.174 923 N CA -0.370 52.786 53.050 0.177 0.000 1.096 923 N CB -0.039 38.549 38.487 0.169 0.000 1.403 923 N HN 0.587 nan 8.380 nan 0.000 0.522 924 D N -1.005 119.519 120.400 0.207 0.000 2.511 924 D HA 0.084 4.724 4.640 -0.000 0.000 0.283 924 D C 0.983 177.356 176.300 0.121 0.000 1.198 924 D CA -0.780 53.291 54.000 0.119 0.000 1.097 924 D CB 0.149 41.001 40.800 0.087 0.000 1.160 924 D HN -0.032 nan 8.370 nan 0.000 0.589 925 V N -1.385 118.453 119.914 -0.128 0.000 2.446 925 V HA -0.132 3.988 4.120 -0.000 0.000 0.244 925 V C 1.819 177.948 176.094 0.058 0.000 1.039 925 V CA 1.150 63.356 62.300 -0.156 0.000 1.045 925 V CB -0.811 30.593 31.823 -0.698 0.000 0.681 925 V HN 0.508 nan 8.190 nan 0.000 0.459 926 Y N -1.579 118.857 120.300 0.226 0.000 2.274 926 Y HA -0.238 4.312 4.550 -0.000 0.000 0.290 926 Y C 2.230 178.351 175.900 0.367 0.000 1.145 926 Y CA 1.918 60.216 58.100 0.329 0.000 1.203 926 Y CB -0.417 38.214 38.460 0.285 0.000 0.984 926 Y HN 0.319 nan 8.280 nan 0.000 0.533 927 F N 1.296 121.430 119.950 0.306 0.000 2.113 927 F HA -0.211 4.316 4.527 -0.000 0.000 0.297 927 F C 2.457 178.396 175.800 0.231 0.000 1.103 927 F CA 1.643 59.784 58.000 0.234 0.000 1.248 927 F CB -0.785 38.323 39.000 0.179 0.000 0.999 927 F HN -0.025 nan 8.300 nan 0.000 0.475 928 Q N -0.034 119.887 119.800 0.201 0.000 2.217 928 Q HA -0.168 4.172 4.340 -0.000 0.000 0.209 928 Q C 1.815 177.856 176.000 0.068 0.000 0.988 928 Q CA 2.339 58.195 55.803 0.089 0.000 0.878 928 Q CB -0.264 28.574 28.738 0.167 0.000 0.909 928 Q HN 0.380 nan 8.270 nan 0.000 0.424 929 V N -1.645 118.383 119.914 0.191 0.000 3.125 929 V HA 0.102 4.222 4.120 -0.000 0.000 0.249 929 V C 2.020 178.229 176.094 0.191 0.000 1.113 929 V CA 1.076 63.517 62.300 0.235 0.000 1.106 929 V CB -0.431 31.646 31.823 0.423 0.000 0.768 929 V HN 0.447 nan 8.190 nan 0.000 0.468 930 G N 0.341 109.248 108.800 0.178 0.000 2.501 930 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.220 930 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.220 930 G C 1.444 176.331 174.900 -0.022 0.000 1.114 930 G CA 0.697 45.866 45.100 0.115 0.000 0.757 930 G HN 0.407 nan 8.290 nan 0.000 0.559 931 L N -0.495 120.654 121.223 -0.124 0.000 2.034 931 L HA 0.079 4.419 4.340 -0.000 0.000 0.203 931 L C 2.866 179.704 176.870 -0.053 0.000 1.074 931 L CA 0.788 55.538 54.840 -0.150 0.000 0.748 931 L CB -0.706 41.239 42.059 -0.190 0.000 0.905 931 L HN 0.205 nan 8.230 nan 0.000 0.439 932 L N -0.652 120.585 121.223 0.024 0.000 2.201 932 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 932 L C 2.528 179.287 176.870 -0.184 0.000 1.105 932 L CA 1.108 55.956 54.840 0.012 0.000 0.775 932 L CB -0.945 41.250 42.059 0.226 0.000 0.913 932 L HN 0.243 nan 8.230 nan 0.000 0.440 933 T N -1.680 112.785 114.554 -0.148 0.000 2.812 933 T HA -0.152 4.198 4.350 -0.000 0.000 0.264 933 T C 1.963 176.516 174.700 -0.245 0.000 1.042 933 T CA 1.758 63.690 62.100 -0.279 0.000 1.140 933 T CB -0.236 68.568 68.868 -0.106 0.000 0.870 933 T HN 0.267 nan 8.240 nan 0.000 0.445 934 T N 1.644 116.104 114.554 -0.157 0.000 2.881 934 T HA 0.030 4.380 4.350 -0.000 0.000 0.270 934 T C 1.790 176.387 174.700 -0.172 0.000 1.068 934 T CA 0.738 62.741 62.100 -0.161 0.000 1.131 934 T CB -0.309 68.506 68.868 -0.088 0.000 0.871 934 T HN 0.232 nan 8.240 nan 0.000 0.479 935 I N 0.637 121.109 120.570 -0.164 0.000 2.584 935 I HA 0.099 4.269 4.170 -0.000 0.000 0.255 935 I C 2.581 178.580 176.117 -0.197 0.000 1.145 935 I CA 0.676 61.887 61.300 -0.150 0.000 1.462 935 I CB -0.280 37.656 38.000 -0.106 0.000 1.102 935 I HN 0.238 nan 8.210 nan 0.000 0.433 936 G N 0.160 108.798 108.800 -0.271 0.000 2.484 936 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.218 936 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.218 936 G C 1.617 176.354 174.900 -0.270 0.000 1.130 936 G CA 0.404 45.323 45.100 -0.301 0.000 0.784 936 G HN 0.294 nan 8.290 nan 0.000 0.543 937 L N 0.091 121.143 121.223 -0.284 0.000 2.249 937 L HA 0.104 4.444 4.340 -0.000 0.000 0.207 937 L C 2.997 179.731 176.870 -0.225 0.000 1.090 937 L CA 0.434 55.101 54.840 -0.289 0.000 0.802 937 L CB -0.125 41.696 42.059 -0.397 0.000 0.947 937 L HN 0.105 nan 8.230 nan 0.000 0.453 938 S N -0.039 115.545 115.700 -0.193 0.000 2.382 938 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 938 S C 2.136 176.644 174.600 -0.154 0.000 1.027 938 S CA 1.198 59.308 58.200 -0.149 0.000 0.991 938 S CB -0.128 63.003 63.200 -0.116 0.000 0.823 938 S HN 0.473 nan 8.310 nan 0.000 0.469 939 A N 1.776 124.496 122.820 -0.168 0.000 1.824 939 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 939 A C 1.841 179.315 177.584 -0.183 0.000 1.209 939 A CA 1.919 53.853 52.037 -0.172 0.000 0.614 939 A CB -0.917 17.982 19.000 -0.168 0.000 0.852 939 A HN 0.341 nan 8.150 nan 0.000 0.447 940 K N -0.351 119.940 120.400 -0.182 0.000 2.312 940 K HA -0.303 4.017 4.320 -0.000 0.000 0.230 940 K C 1.551 178.037 176.600 -0.190 0.000 0.775 940 K CA 2.251 58.429 56.287 -0.182 0.000 0.954 940 K CB -1.013 31.373 32.500 -0.190 0.000 0.501 940 K HN 0.503 nan 8.250 nan 0.000 0.853 941 N N -0.612 117.979 118.700 -0.182 0.000 2.212 941 N HA -0.338 4.402 4.740 -0.000 0.000 0.181 941 N C 1.543 176.940 175.510 -0.189 0.000 0.861 941 N CA 2.690 55.638 53.050 -0.171 0.000 0.898 941 N CB -1.042 37.357 38.487 -0.146 0.000 1.038 941 N HN 0.497 nan 8.380 nan 0.000 0.875 942 A N 0.502 123.210 122.820 -0.187 0.000 1.855 942 A HA 0.005 4.325 4.320 -0.000 0.000 0.215 942 A C 2.403 179.854 177.584 -0.222 0.000 1.191 942 A CA 1.261 53.179 52.037 -0.200 0.000 0.613 942 A CB -0.730 18.167 19.000 -0.172 0.000 0.829 942 A HN 0.311 nan 8.150 nan 0.000 0.442 943 I N 0.422 120.846 120.570 -0.243 0.000 2.300 943 I HA -0.319 3.851 4.170 -0.000 0.000 0.252 943 I C 2.204 178.179 176.117 -0.237 0.000 1.119 943 I CA 1.411 62.536 61.300 -0.291 0.000 1.384 943 I CB -0.409 37.421 38.000 -0.283 0.000 1.062 943 I HN 0.381 nan 8.210 nan 0.000 0.426 944 L N -0.412 120.651 121.223 -0.266 0.000 2.095 944 L HA -0.088 4.252 4.340 -0.000 0.000 0.204 944 L C 2.380 179.076 176.870 -0.289 0.000 1.080 944 L CA 0.776 55.373 54.840 -0.404 0.000 0.759 944 L CB -0.717 41.033 42.059 -0.516 0.000 0.914 944 L HN 0.107 nan 8.230 nan 0.000 0.439 945 I N 0.253 120.702 120.570 -0.201 0.000 2.800 945 I HA -0.204 3.966 4.170 -0.000 0.000 0.266 945 I C 2.070 178.169 176.117 -0.029 0.000 1.249 945 I CA 1.156 62.383 61.300 -0.122 0.000 1.458 945 I CB -0.263 37.556 38.000 -0.301 0.000 1.093 945 I HN 0.178 nan 8.210 nan 0.000 0.466 946 V N -0.229 119.648 119.914 -0.062 0.000 2.721 946 V HA -0.065 4.055 4.120 -0.000 0.000 0.236 946 V C 2.310 178.448 176.094 0.074 0.000 1.116 946 V CA 0.825 63.118 62.300 -0.011 0.000 1.148 946 V CB -0.181 31.575 31.823 -0.112 0.000 0.886 946 V HN 0.160 nan 8.190 nan 0.000 0.490 947 E N 0.850 121.093 120.200 0.072 0.000 2.070 947 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 947 E C 1.984 178.763 176.600 0.298 0.000 1.004 947 E CA 2.119 58.641 56.400 0.203 0.000 0.805 947 E CB -0.433 29.384 29.700 0.194 0.000 0.744 947 E HN 0.574 nan 8.360 nan 0.000 0.451 948 F N -0.271 119.722 119.950 0.071 0.000 2.102 948 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 948 F C 2.281 178.126 175.800 0.075 0.000 1.105 948 F CA 0.382 58.422 58.000 0.067 0.000 1.239 948 F CB -0.228 38.812 39.000 0.066 0.000 0.991 948 F HN 0.174 nan 8.300 nan 0.000 0.474 949 A N -0.872 122.124 122.820 0.294 0.000 2.209 949 A HA -0.114 4.206 4.320 -0.000 0.000 0.212 949 A C 1.710 179.389 177.584 0.157 0.000 1.158 949 A CA 1.150 53.313 52.037 0.210 0.000 0.742 949 A CB -0.276 18.856 19.000 0.220 0.000 0.790 949 A HN 0.130 nan 8.150 nan 0.000 0.472 950 K N -0.423 120.067 120.400 0.149 0.000 2.367 950 K HA 0.118 4.438 4.320 -0.000 0.000 0.195 950 K C 0.867 177.526 176.600 0.099 0.000 1.060 950 K CA 0.403 56.756 56.287 0.111 0.000 1.022 950 K CB 0.129 32.691 32.500 0.103 0.000 0.894 950 K HN 0.272 nan 8.250 nan 0.000 0.540 951 D N 0.381 120.852 120.400 0.118 0.000 2.264 951 D HA -0.052 4.588 4.640 -0.000 0.000 0.208 951 D C 1.414 177.748 176.300 0.056 0.000 0.966 951 D CA 0.830 54.879 54.000 0.082 0.000 0.864 951 D CB 0.360 41.213 40.800 0.089 0.000 0.933 951 D HN 0.168 nan 8.370 nan 0.000 0.499 952 L N -0.376 120.890 121.223 0.072 0.000 2.298 952 L HA 0.135 4.475 4.340 -0.000 0.000 0.209 952 L C 2.307 179.216 176.870 0.065 0.000 1.084 952 L CA 0.185 55.059 54.840 0.057 0.000 0.816 952 L CB -0.072 42.027 42.059 0.066 0.000 0.967 952 L HN -0.070 nan 8.230 nan 0.000 0.460 953 M N -0.795 118.856 119.600 0.085 0.000 2.562 953 M HA -0.077 4.403 4.480 -0.000 0.000 0.257 953 M C 0.797 177.140 176.300 0.073 0.000 1.099 953 M CA 1.219 56.576 55.300 0.096 0.000 1.099 953 M CB 0.139 32.807 32.600 0.113 0.000 1.427 953 M HN 0.223 nan 8.290 nan 0.000 0.489 954 D N -0.547 119.885 120.400 0.053 0.000 3.012 954 D HA 0.035 4.675 4.640 -0.000 0.000 0.230 954 D C 1.222 177.539 176.300 0.028 0.000 1.477 954 D CA 0.109 54.131 54.000 0.037 0.000 1.329 954 D CB -0.212 40.606 40.800 0.029 0.000 0.951 954 D HN 0.078 nan 8.370 nan 0.000 0.224 955 K N 0.824 121.237 120.400 0.022 0.000 2.159 955 K HA -0.208 4.112 4.320 -0.000 0.000 0.217 955 K C 1.024 177.631 176.600 0.013 0.000 1.048 955 K CA 1.475 57.771 56.287 0.015 0.000 0.941 955 K CB -0.236 32.272 32.500 0.013 0.000 0.738 955 K HN 0.317 nan 8.250 nan 0.000 0.469 956 E N -0.323 119.888 120.200 0.018 0.000 2.469 956 E HA 0.272 4.622 4.350 -0.000 0.000 0.246 956 E C 0.132 176.745 176.600 0.022 0.000 0.969 956 E CA -0.540 55.869 56.400 0.014 0.000 0.881 956 E CB 0.497 30.203 29.700 0.010 0.000 1.320 956 E HN 0.220 nan 8.360 nan 0.000 0.421 957 G N 1.220 110.030 108.800 0.017 0.000 2.225 957 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.245 957 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.245 957 G C 0.887 175.808 174.900 0.035 0.000 1.249 957 G CA 0.537 45.648 45.100 0.018 0.000 0.919 957 G HN 0.496 nan 8.290 nan 0.000 0.486 958 K N 2.680 123.106 120.400 0.043 0.000 2.049 958 K HA -0.153 4.167 4.320 -0.000 0.000 0.219 958 K C 1.659 178.312 176.600 0.089 0.000 1.056 958 K CA 1.840 58.174 56.287 0.078 0.000 0.946 958 K CB -0.633 31.911 32.500 0.073 0.000 0.723 958 K HN 1.539 nan 8.250 nan 0.000 0.453 959 G N 1.278 110.098 108.800 0.032 0.000 2.374 959 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.289 959 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.289 959 G C 0.328 175.228 174.900 -0.000 0.000 1.004 959 G CA 0.479 45.583 45.100 0.007 0.000 1.292 959 G HN 0.419 nan 8.290 nan 0.000 0.502 960 L N 0.377 121.514 121.223 -0.144 0.000 2.021 960 L HA -0.131 4.209 4.340 -0.000 0.000 0.215 960 L C 2.560 179.233 176.870 -0.329 0.000 1.074 960 L CA 2.784 57.321 54.840 -0.506 0.000 0.760 960 L CB 0.003 41.676 42.059 -0.643 0.000 0.889 960 L HN 0.874 nan 8.230 nan 0.000 0.433 961 I N -5.651 114.797 120.570 -0.204 0.000 4.225 961 I HA 0.178 4.348 4.170 -0.000 0.000 0.327 961 I C 0.908 176.958 176.117 -0.112 0.000 1.422 961 I CA -0.139 61.076 61.300 -0.141 0.000 1.150 961 I CB 0.372 38.263 38.000 -0.182 0.000 1.192 961 I HN -0.003 nan 8.210 nan 0.000 0.440 962 E N 1.334 121.486 120.200 -0.080 0.000 2.501 962 E HA 0.385 4.735 4.350 -0.000 0.000 0.201 962 E C 1.626 178.213 176.600 -0.022 0.000 1.016 962 E CA 0.569 56.932 56.400 -0.062 0.000 0.920 962 E CB 0.967 30.631 29.700 -0.060 0.000 1.023 962 E HN 0.639 nan 8.360 nan 0.000 0.474 963 A N -0.023 122.806 122.820 0.014 0.000 2.026 963 A HA 0.002 4.322 4.320 -0.000 0.000 0.201 963 A C 2.182 179.820 177.584 0.090 0.000 1.318 963 A CA 0.746 52.817 52.037 0.056 0.000 0.857 963 A CB -0.413 18.639 19.000 0.086 0.000 0.939 963 A HN 0.270 nan 8.150 nan 0.000 0.476 964 T N -0.348 114.265 114.554 0.098 0.000 2.708 964 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 964 T C 1.900 176.606 174.700 0.010 0.000 1.037 964 T CA 1.522 63.712 62.100 0.151 0.000 1.146 964 T CB -0.671 68.296 68.868 0.164 0.000 0.865 964 T HN 0.256 nan 8.240 nan 0.000 0.435 965 L N 1.341 122.468 121.223 -0.161 0.000 2.046 965 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 965 L C 2.453 179.279 176.870 -0.074 0.000 1.077 965 L CA 2.196 56.885 54.840 -0.251 0.000 0.747 965 L CB -0.576 41.341 42.059 -0.237 0.000 0.896 965 L HN 0.201 nan 8.230 nan 0.000 0.432 966 D N -0.308 120.084 120.400 -0.014 0.000 2.182 966 D HA -0.200 4.440 4.640 -0.000 0.000 0.201 966 D C 2.050 178.399 176.300 0.082 0.000 0.986 966 D CA 1.303 55.319 54.000 0.026 0.000 0.847 966 D CB 0.127 40.939 40.800 0.021 0.000 0.942 966 D HN 0.481 nan 8.370 nan 0.000 0.467 967 A N -0.254 122.650 122.820 0.139 0.000 1.897 967 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 967 A C 2.395 180.138 177.584 0.266 0.000 1.181 967 A CA 1.363 53.531 52.037 0.217 0.000 0.620 967 A CB -0.818 18.358 19.000 0.293 0.000 0.821 967 A HN 0.230 nan 8.150 nan 0.000 0.443 968 V N -0.068 120.036 119.914 0.317 0.000 2.871 968 V HA -0.078 4.042 4.120 -0.000 0.000 0.256 968 V C 2.390 178.635 176.094 0.251 0.000 1.082 968 V CA 1.399 63.916 62.300 0.361 0.000 1.105 968 V CB -0.768 31.440 31.823 0.641 0.000 0.713 968 V HN 0.546 nan 8.190 nan 0.000 0.473 969 R N 1.026 121.625 120.500 0.165 0.000 2.200 969 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 969 R C 0.645 177.012 176.300 0.112 0.000 1.127 969 R CA 1.608 57.777 56.100 0.116 0.000 0.989 969 R CB -0.168 30.168 30.300 0.061 0.000 0.869 969 R HN 0.681 nan 8.270 nan 0.000 0.459 970 M N -1.054 118.621 119.600 0.124 0.000 3.568 970 M HA 0.326 4.806 4.480 -0.000 0.000 0.386 970 M C -0.480 175.915 176.300 0.158 0.000 1.765 970 M CA -0.518 54.849 55.300 0.112 0.000 0.568 970 M CB 1.234 33.878 32.600 0.073 0.000 1.428 970 M HN -0.053 nan 8.290 nan 0.000 0.493 971 R N -1.002 119.607 120.500 0.180 0.000 2.436 971 R HA 0.201 4.541 4.340 -0.000 0.000 0.209 971 R C 0.230 176.604 176.300 0.123 0.000 0.593 971 R CA -0.316 55.902 56.100 0.196 0.000 0.818 971 R CB -1.485 29.021 30.300 0.344 0.000 1.400 971 R HN 0.384 nan 8.270 nan 0.000 0.523 972 L N 0.821 122.092 121.223 0.079 0.000 2.191 972 L HA 0.067 4.407 4.340 -0.000 0.000 0.212 972 L C 1.858 178.716 176.870 -0.019 0.000 1.103 972 L CA 2.109 56.930 54.840 -0.033 0.000 0.769 972 L CB -0.486 41.448 42.059 -0.209 0.000 0.908 972 L HN 0.582 nan 8.230 nan 0.000 0.438 973 R N 0.804 121.324 120.500 0.032 0.000 2.070 973 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 973 R C -0.362 176.022 176.300 0.141 0.000 1.138 973 R CA 1.993 58.174 56.100 0.134 0.000 0.936 973 R CB -1.405 28.956 30.300 0.102 0.000 0.839 973 R HN 0.331 nan 8.270 nan 0.000 0.429 974 P HA -0.166 nan 4.420 nan 0.000 0.218 974 P C 1.498 178.779 177.300 -0.032 0.000 1.148 974 P CA 1.179 64.298 63.100 0.031 0.000 0.822 974 P CB -0.234 31.499 31.700 0.055 0.000 0.784 975 I N -1.184 119.368 120.570 -0.030 0.000 2.226 975 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 975 I C 2.202 178.271 176.117 -0.079 0.000 1.100 975 I CA 1.330 62.592 61.300 -0.064 0.000 1.374 975 I CB -1.261 36.708 38.000 -0.053 0.000 1.057 975 I HN -0.024 nan 8.210 nan 0.000 0.413 976 L N -0.808 120.376 121.223 -0.065 0.000 2.558 976 L HA 0.085 4.425 4.340 -0.000 0.000 0.225 976 L C 2.210 178.923 176.870 -0.263 0.000 1.128 976 L CA 0.677 55.462 54.840 -0.091 0.000 0.868 976 L CB -0.231 41.827 42.059 -0.001 0.000 1.006 976 L HN 0.097 nan 8.230 nan 0.000 0.454 977 M N -1.855 117.554 119.600 -0.318 0.000 2.134 977 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 977 M C 2.094 178.215 176.300 -0.299 0.000 1.076 977 M CA 1.595 56.578 55.300 -0.529 0.000 1.143 977 M CB -0.065 32.325 32.600 -0.350 0.000 1.346 977 M HN 0.114 nan 8.290 nan 0.000 0.421 978 T N -0.383 114.066 114.554 -0.174 0.000 2.595 978 T HA -0.188 4.162 4.350 -0.000 0.000 0.264 978 T C 1.836 176.494 174.700 -0.069 0.000 1.058 978 T CA 1.974 64.010 62.100 -0.106 0.000 1.166 978 T CB -0.480 68.324 68.868 -0.106 0.000 0.863 978 T HN 0.459 nan 8.240 nan 0.000 0.415 979 S N 0.757 116.403 115.700 -0.089 0.000 2.369 979 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 979 S C 2.057 176.657 174.600 -0.000 0.000 1.043 979 S CA 1.815 59.987 58.200 -0.047 0.000 1.074 979 S CB -0.722 62.441 63.200 -0.061 0.000 0.962 979 S HN 0.331 nan 8.310 nan 0.000 0.433 980 L N 1.918 123.097 121.223 -0.074 0.000 1.971 980 L HA -0.023 4.317 4.340 -0.000 0.000 0.215 980 L C 2.634 179.467 176.870 -0.062 0.000 1.072 980 L CA 2.472 57.262 54.840 -0.083 0.000 0.758 980 L CB -1.314 40.645 42.059 -0.168 0.000 0.889 980 L HN 0.386 nan 8.230 nan 0.000 0.433 981 A N -1.152 121.614 122.820 -0.089 0.000 1.948 981 A HA -0.316 4.003 4.320 -0.000 0.000 0.220 981 A C 2.294 179.873 177.584 -0.009 0.000 1.177 981 A CA 2.211 54.212 52.037 -0.061 0.000 0.636 981 A CB -1.264 17.693 19.000 -0.072 0.000 0.815 981 A HN 0.616 nan 8.150 nan 0.000 0.449 982 F N 0.777 120.667 119.950 -0.100 0.000 2.163 982 F HA -0.025 4.502 4.527 -0.000 0.000 0.297 982 F C 1.821 177.577 175.800 -0.073 0.000 1.094 982 F CA 1.598 59.547 58.000 -0.085 0.000 1.290 982 F CB -0.058 38.890 39.000 -0.087 0.000 1.017 982 F HN 0.191 nan 8.300 nan 0.000 0.483 983 I N -0.187 120.421 120.570 0.063 0.000 3.291 983 I HA -0.153 4.017 4.170 -0.000 0.000 0.279 983 I C 1.717 177.771 176.117 -0.104 0.000 1.294 983 I CA 0.649 61.941 61.300 -0.014 0.000 1.428 983 I CB -0.566 37.474 38.000 0.067 0.000 1.070 983 I HN 0.244 nan 8.210 nan 0.000 0.478 984 L N 0.695 121.849 121.223 -0.115 0.000 2.253 984 L HA 0.162 4.502 4.340 -0.000 0.000 0.205 984 L C 2.633 179.416 176.870 -0.145 0.000 1.078 984 L CA 0.882 55.657 54.840 -0.108 0.000 0.805 984 L CB -0.518 41.493 42.059 -0.080 0.000 0.963 984 L HN 0.232 nan 8.230 nan 0.000 0.459 985 G N -0.701 107.980 108.800 -0.198 0.000 2.448 985 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 985 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 985 G C 1.536 176.268 174.900 -0.280 0.000 1.135 985 G CA 0.492 45.459 45.100 -0.221 0.000 0.784 985 G HN 0.136 nan 8.290 nan 0.000 0.543 986 V N 0.748 120.435 119.914 -0.379 0.000 2.515 986 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 986 V C 2.741 178.711 176.094 -0.206 0.000 1.058 986 V CA 1.786 63.879 62.300 -0.345 0.000 1.064 986 V CB -0.313 31.271 31.823 -0.399 0.000 0.675 986 V HN 0.407 nan 8.190 nan 0.000 0.461 987 M N -0.264 119.238 119.600 -0.163 0.000 2.110 987 M HA -0.190 4.290 4.480 -0.000 0.000 0.257 987 M C -0.110 176.123 176.300 -0.112 0.000 1.071 987 M CA 2.695 57.927 55.300 -0.112 0.000 1.096 987 M CB -1.280 31.266 32.600 -0.090 0.000 1.300 987 M HN 0.238 nan 8.290 nan 0.000 0.411 988 P HA -0.219 nan 4.420 nan 0.000 0.219 988 P C 1.218 178.437 177.300 -0.136 0.000 1.151 988 P CA 1.496 64.523 63.100 -0.121 0.000 0.850 988 P CB -0.288 31.332 31.700 -0.132 0.000 0.784 989 L N -2.014 119.113 121.223 -0.160 0.000 2.121 989 L HA -0.049 4.291 4.340 -0.000 0.000 0.200 989 L C 2.490 179.275 176.870 -0.141 0.000 1.077 989 L CA 0.865 55.594 54.840 -0.185 0.000 0.766 989 L CB -1.442 40.468 42.059 -0.248 0.000 0.931 989 L HN -0.148 nan 8.230 nan 0.000 0.452 990 V N 0.592 120.438 119.914 -0.114 0.000 2.222 990 V HA -0.271 3.849 4.120 -0.000 0.000 0.252 990 V C 1.569 177.629 176.094 -0.057 0.000 1.060 990 V CA 1.805 64.063 62.300 -0.070 0.000 1.027 990 V CB -0.771 31.026 31.823 -0.043 0.000 0.644 990 V HN 0.311 nan 8.190 nan 0.000 0.448 991 I N -2.545 117.991 120.570 -0.056 0.000 4.039 991 I HA 0.559 4.729 4.170 -0.000 0.000 0.245 991 I C 1.579 177.661 176.117 -0.059 0.000 1.135 991 I CA 0.085 61.357 61.300 -0.046 0.000 1.354 991 I CB 1.127 39.111 38.000 -0.028 0.000 1.382 991 I HN 0.264 nan 8.210 nan 0.000 0.455 992 S N -0.754 114.917 115.700 -0.048 0.000 3.844 992 S HA -0.248 4.222 4.470 -0.000 0.000 0.256 992 S C 0.735 175.300 174.600 -0.058 0.000 1.740 992 S CA 1.598 59.767 58.200 -0.053 0.000 3.913 992 S CB -2.562 60.599 63.200 -0.064 0.000 0.658 992 S HN 0.919 nan 8.310 nan 0.000 0.463 993 T N 1.807 116.314 114.554 -0.077 0.000 2.748 993 T HA 0.571 4.921 4.350 -0.000 0.000 0.304 993 T C 0.469 175.130 174.700 -0.065 0.000 1.041 993 T CA 0.003 62.053 62.100 -0.084 0.000 1.033 993 T CB 1.146 69.944 68.868 -0.116 0.000 0.995 993 T HN 1.323 nan 8.240 nan 0.000 0.536 994 G N -1.874 106.892 108.800 -0.057 0.000 2.725 994 G HA2 0.683 4.643 3.960 -0.000 0.000 0.288 994 G HA3 0.683 4.643 3.960 -0.000 0.000 0.288 994 G C -0.183 174.684 174.900 -0.054 0.000 1.399 994 G CA -0.428 44.627 45.100 -0.076 0.000 0.859 994 G HN 0.979 nan 8.290 nan 0.000 0.479 995 A N -1.171 121.586 122.820 -0.104 0.000 1.690 995 A HA 0.539 4.859 4.320 -0.000 0.000 0.213 995 A C 2.052 179.475 177.584 -0.268 0.000 1.785 995 A CA 1.592 53.590 52.037 -0.066 0.000 1.230 995 A CB -0.496 18.503 19.000 -0.002 0.000 1.175 995 A HN 1.565 nan 8.150 nan 0.000 0.468 996 G N -0.573 107.820 108.800 -0.678 0.000 2.421 996 G HA2 0.280 4.240 3.960 -0.000 0.000 0.217 996 G HA3 0.280 4.240 3.960 -0.000 0.000 0.217 996 G C 0.552 175.249 174.900 -0.339 0.000 1.143 996 G CA 1.543 46.035 45.100 -1.013 0.000 0.784 996 G HN 1.201 nan 8.290 nan 0.000 0.541 997 S N -1.970 113.602 115.700 -0.213 0.000 2.599 997 S HA 0.501 4.971 4.470 -0.000 0.000 0.269 997 S C 0.324 174.872 174.600 -0.087 0.000 1.135 997 S CA 0.451 58.609 58.200 -0.070 0.000 1.027 997 S CB 0.402 63.571 63.200 -0.051 0.000 1.129 997 S HN 1.573 nan 8.310 nan 0.000 0.458 998 G N 4.347 113.117 108.800 -0.049 0.000 4.492 998 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.265 998 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.265 998 G C 1.247 176.159 174.900 0.019 0.000 1.702 998 G CA 0.589 45.702 45.100 0.022 0.000 1.266 998 G HN 1.787 nan 8.290 nan 0.000 0.643 999 A N 0.291 123.138 122.820 0.045 0.000 2.014 999 A HA 0.204 4.524 4.320 -0.000 0.000 0.218 999 A C 2.194 179.552 177.584 -0.376 0.000 1.163 999 A CA 2.238 54.238 52.037 -0.062 0.000 0.652 999 A CB -0.439 18.632 19.000 0.118 0.000 0.808 999 A HN 0.671 nan 8.150 nan 0.000 0.449 1000 Q N -0.159 119.420 119.800 -0.369 0.000 2.096 1000 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 1000 Q C 1.746 177.551 176.000 -0.326 0.000 0.982 1000 Q CA 1.787 57.272 55.803 -0.529 0.000 0.850 1000 Q CB -0.243 28.269 28.738 -0.377 0.000 0.901 1000 Q HN 0.735 nan 8.270 nan 0.000 0.422 1001 N N 0.428 119.015 118.700 -0.188 0.000 2.166 1001 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 1001 N C 1.502 176.971 175.510 -0.068 0.000 1.019 1001 N CA 1.278 54.264 53.050 -0.106 0.000 0.856 1001 N CB -0.281 38.170 38.487 -0.060 0.000 0.993 1001 N HN 0.262 nan 8.380 nan 0.000 0.426 1002 A N 0.375 123.158 122.820 -0.062 0.000 1.902 1002 A HA -0.104 4.215 4.320 -0.000 0.000 0.217 1002 A C 2.262 179.902 177.584 0.094 0.000 1.181 1002 A CA 1.416 53.484 52.037 0.051 0.000 0.623 1002 A CB -0.806 18.300 19.000 0.175 0.000 0.818 1002 A HN 0.102 nan 8.150 nan 0.000 0.443 1003 V N -0.178 119.697 119.914 -0.064 0.000 2.229 1003 V HA -0.136 3.984 4.120 -0.000 0.000 0.243 1003 V C 2.834 178.962 176.094 0.057 0.000 1.042 1003 V CA 2.021 64.332 62.300 0.019 0.000 1.000 1003 V CB -1.750 29.958 31.823 -0.192 0.000 0.637 1003 V HN 0.538 nan 8.190 nan 0.000 0.446 1004 G N -0.578 108.196 108.800 -0.043 0.000 2.422 1004 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 1004 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 1004 G C 1.644 176.573 174.900 0.047 0.000 1.140 1004 G CA 1.424 46.510 45.100 -0.022 0.000 0.775 1004 G HN 0.477 nan 8.290 nan 0.000 0.545 1005 T N 0.851 115.438 114.554 0.056 0.000 2.833 1005 T HA -0.033 4.317 4.350 -0.000 0.000 0.269 1005 T C 2.450 177.248 174.700 0.163 0.000 1.054 1005 T CA 1.345 63.493 62.100 0.081 0.000 1.135 1005 T CB -0.314 68.582 68.868 0.046 0.000 0.869 1005 T HN 0.350 nan 8.240 nan 0.000 0.466 1006 G N 0.706 109.668 108.800 0.270 0.000 2.448 1006 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.218 1006 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.218 1006 G C 1.574 176.659 174.900 0.308 0.000 1.135 1006 G CA 0.788 46.189 45.100 0.501 0.000 0.784 1006 G HN 0.477 nan 8.290 nan 0.000 0.543 1007 V N 0.333 120.378 119.914 0.219 0.000 2.341 1007 V HA 0.024 4.144 4.120 -0.000 0.000 0.240 1007 V C 2.611 178.821 176.094 0.193 0.000 1.035 1007 V CA 1.307 63.726 62.300 0.199 0.000 1.033 1007 V CB -0.731 31.250 31.823 0.263 0.000 0.678 1007 V HN 0.257 nan 8.190 nan 0.000 0.464 1008 M N 0.958 120.656 119.600 0.165 0.000 2.124 1008 M HA -0.268 4.212 4.480 -0.000 0.000 0.253 1008 M C 2.105 178.467 176.300 0.103 0.000 1.077 1008 M CA 2.622 57.995 55.300 0.123 0.000 1.085 1008 M CB -0.767 31.874 32.600 0.068 0.000 1.320 1008 M HN 0.552 nan 8.290 nan 0.000 0.404 1009 G N -1.217 107.651 108.800 0.112 0.000 2.433 1009 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 1009 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 1009 G C 1.330 176.280 174.900 0.083 0.000 1.186 1009 G CA 1.039 46.199 45.100 0.099 0.000 0.779 1009 G HN 0.610 nan 8.290 nan 0.000 0.543 1010 G N 0.722 109.580 108.800 0.096 0.000 2.545 1010 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 1010 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 1010 G C 1.838 176.745 174.900 0.011 0.000 1.218 1010 G CA 1.467 46.593 45.100 0.044 0.000 0.787 1010 G HN 0.224 nan 8.290 nan 0.000 0.571 1011 M N 0.149 119.758 119.600 0.015 0.000 2.255 1011 M HA -0.134 4.346 4.480 -0.000 0.000 0.260 1011 M C 2.889 179.194 176.300 0.008 0.000 1.069 1011 M CA 1.106 56.398 55.300 -0.014 0.000 1.089 1011 M CB -1.441 31.198 32.600 0.064 0.000 1.269 1011 M HN 0.111 nan 8.290 nan 0.000 0.434 1012 V N 0.025 119.961 119.914 0.037 0.000 2.280 1012 V HA -0.366 3.754 4.120 -0.000 0.000 0.258 1012 V C 2.260 178.368 176.094 0.022 0.000 1.081 1012 V CA 2.581 64.898 62.300 0.029 0.000 1.070 1012 V CB -1.091 30.747 31.823 0.026 0.000 0.666 1012 V HN 0.558 nan 8.190 nan 0.000 0.450 1013 T N -1.367 113.196 114.554 0.015 0.000 3.057 1013 T HA 0.244 4.594 4.350 -0.000 0.000 0.254 1013 T C 1.794 176.501 174.700 0.011 0.000 1.094 1013 T CA 0.804 62.910 62.100 0.009 0.000 1.088 1013 T CB 0.174 69.043 68.868 0.002 0.000 0.934 1013 T HN 0.561 nan 8.240 nan 0.000 0.497 1014 A N 2.162 124.981 122.820 -0.003 0.000 1.840 1014 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 1014 A C 2.580 180.164 177.584 0.001 0.000 1.198 1014 A CA 2.131 54.158 52.037 -0.018 0.000 0.608 1014 A CB -1.319 17.643 19.000 -0.063 0.000 0.839 1014 A HN 0.559 nan 8.150 nan 0.000 0.443 1015 T N -1.813 112.739 114.554 -0.004 0.000 2.588 1015 T HA -0.063 4.287 4.350 -0.000 0.000 0.261 1015 T C 0.915 175.673 174.700 0.096 0.000 1.069 1015 T CA 1.235 63.347 62.100 0.019 0.000 1.172 1015 T CB -1.199 67.666 68.868 -0.006 0.000 0.863 1015 T HN 0.121 nan 8.240 nan 0.000 0.408 1016 V N 2.867 122.846 119.914 0.108 0.000 2.180 1016 V HA 0.404 4.524 4.120 -0.000 0.000 0.238 1016 V C 0.650 176.867 176.094 0.205 0.000 1.337 1016 V CA 0.440 62.856 62.300 0.193 0.000 1.338 1016 V CB -0.849 31.064 31.823 0.150 0.000 1.431 1016 V HN 0.577 nan 8.190 nan 0.000 0.498 1017 L N 2.379 123.777 121.223 0.292 0.000 1.229 1017 L HA 0.036 4.376 4.340 -0.000 0.000 0.063 1017 L C 1.840 178.866 176.870 0.260 0.000 1.500 1017 L CA 1.390 56.375 54.840 0.243 0.000 1.141 1017 L CB -0.990 41.129 42.059 0.100 0.000 2.299 1017 L HN 0.324 nan 8.230 nan 0.000 0.443 1018 A N 0.253 123.175 122.820 0.170 0.000 1.824 1018 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 1018 A C 1.878 179.548 177.584 0.143 0.000 1.209 1018 A CA 2.259 54.360 52.037 0.107 0.000 0.614 1018 A CB -0.909 18.102 19.000 0.019 0.000 0.852 1018 A HN 0.509 nan 8.150 nan 0.000 0.447 1019 I N -1.815 118.841 120.570 0.144 0.000 2.182 1019 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 1019 I C 1.445 177.910 176.117 0.581 0.000 1.073 1019 I CA 1.522 62.954 61.300 0.220 0.000 1.335 1019 I CB -0.253 37.837 38.000 0.150 0.000 1.031 1019 I HN 0.458 nan 8.210 nan 0.000 0.420 1020 F N -2.055 118.146 119.950 0.418 0.000 2.808 1020 F HA 0.182 4.709 4.527 -0.000 0.000 0.257 1020 F C 1.608 177.641 175.800 0.389 0.000 1.286 1020 F CA -0.911 57.373 58.000 0.474 0.000 0.999 1020 F CB -0.038 39.254 39.000 0.487 0.000 2.005 1020 F HN -0.025 nan 8.300 nan 0.000 0.528 1021 F N 0.872 120.752 119.950 -0.117 0.000 3.012 1021 F HA -0.361 4.166 4.527 -0.000 0.000 0.286 1021 F C 0.854 176.676 175.800 0.035 0.000 1.366 1021 F CA 1.535 59.457 58.000 -0.130 0.000 1.533 1021 F CB -1.684 37.240 39.000 -0.126 0.000 0.716 1021 F HN -0.057 nan 8.300 nan 0.000 0.562 1022 V N 1.639 121.708 119.914 0.259 0.000 2.953 1022 V HA 0.132 4.252 4.120 -0.000 0.000 0.304 1022 V C -1.336 174.815 176.094 0.095 0.000 1.073 1022 V CA -1.694 60.632 62.300 0.043 0.000 1.064 1022 V CB 1.175 33.068 31.823 0.117 0.000 1.047 1022 V HN 0.143 nan 8.190 nan 0.000 0.478 1023 P HA -0.255 nan 4.420 nan 0.000 0.272 1023 P C 0.522 177.924 177.300 0.170 0.000 1.578 1023 P CA 1.946 65.129 63.100 0.139 0.000 1.458 1023 P CB -0.147 31.527 31.700 -0.044 0.000 0.511 1024 V N -3.683 116.247 119.914 0.026 0.000 5.325 1024 V HA -0.267 3.853 4.120 -0.000 0.000 0.291 1024 V C 0.853 176.726 176.094 -0.369 0.000 0.541 1024 V CA 1.890 64.089 62.300 -0.169 0.000 0.687 1024 V CB -2.941 28.757 31.823 -0.209 0.000 0.491 1024 V HN 0.592 nan 8.190 nan 0.000 1.145 1025 F N -4.575 115.450 119.950 0.125 0.000 1.728 1025 F HA -0.087 4.440 4.527 -0.000 0.000 0.261 1025 F C 1.354 177.184 175.800 0.050 0.000 1.258 1025 F CA 0.198 58.245 58.000 0.079 0.000 1.256 1025 F CB -0.799 38.240 39.000 0.065 0.000 2.045 1025 F HN 0.100 nan 8.300 nan 0.000 0.112 1026 F N 2.194 122.261 119.950 0.195 0.000 2.236 1026 F HA -0.223 4.304 4.527 -0.000 0.000 0.302 1026 F C 2.229 178.060 175.800 0.051 0.000 1.073 1026 F CA 1.894 59.939 58.000 0.076 0.000 1.336 1026 F CB -0.709 38.308 39.000 0.028 0.000 1.040 1026 F HN -0.048 nan 8.300 nan 0.000 0.507 1027 V N -1.369 118.671 119.914 0.210 0.000 2.232 1027 V HA -0.263 3.857 4.120 -0.000 0.000 0.237 1027 V C 2.334 178.489 176.094 0.101 0.000 1.035 1027 V CA 1.757 64.120 62.300 0.104 0.000 0.988 1027 V CB -1.758 30.092 31.823 0.044 0.000 0.636 1027 V HN 0.172 nan 8.190 nan 0.000 0.456 1028 V N -0.253 119.714 119.914 0.088 0.000 2.357 1028 V HA -0.299 3.821 4.120 -0.000 0.000 0.257 1028 V C 2.404 178.564 176.094 0.110 0.000 1.082 1028 V CA 2.321 64.653 62.300 0.053 0.000 1.078 1028 V CB -1.748 30.112 31.823 0.063 0.000 0.663 1028 V HN 0.394 nan 8.190 nan 0.000 0.455 1029 V N 2.195 122.233 119.914 0.206 0.000 2.215 1029 V HA -0.348 3.772 4.120 -0.000 0.000 0.249 1029 V C 2.842 179.070 176.094 0.223 0.000 1.054 1029 V CA 3.239 65.699 62.300 0.267 0.000 1.012 1029 V CB -0.883 30.998 31.823 0.097 0.000 0.639 1029 V HN 0.812 nan 8.190 nan 0.000 0.448 1030 R N -0.081 120.501 120.500 0.136 0.000 2.313 1030 R HA 0.073 4.413 4.340 -0.000 0.000 0.199 1030 R C 1.878 178.210 176.300 0.052 0.000 0.958 1030 R CA 0.609 56.767 56.100 0.098 0.000 1.047 1030 R CB -0.140 30.213 30.300 0.089 0.000 0.955 1030 R HN 0.455 nan 8.270 nan 0.000 0.481 1031 R N -0.272 120.248 120.500 0.033 0.000 2.191 1031 R HA 0.229 4.569 4.340 -0.000 0.000 0.187 1031 R C 1.929 178.189 176.300 -0.067 0.000 1.078 1031 R CA -0.460 55.629 56.100 -0.018 0.000 1.139 1031 R CB -0.406 29.910 30.300 0.027 0.000 1.120 1031 R HN 0.003 nan 8.270 nan 0.000 0.536 1032 R N 0.918 121.333 120.500 -0.141 0.000 2.070 1032 R HA -0.004 4.336 4.340 -0.000 0.000 0.233 1032 R C 1.444 177.514 176.300 -0.383 0.000 1.137 1032 R CA 1.650 57.543 56.100 -0.345 0.000 0.945 1032 R CB -0.339 29.587 30.300 -0.623 0.000 0.845 1032 R HN -0.014 nan 8.270 nan 0.000 0.430 1033 F N -0.134 119.825 119.950 0.015 0.000 2.483 1033 F HA 0.037 4.564 4.527 -0.000 0.000 0.187 1033 F C 2.353 178.154 175.800 0.001 0.000 0.976 1033 F CA 0.850 58.853 58.000 0.005 0.000 0.973 1033 F CB -1.017 37.983 39.000 0.000 0.000 2.047 1033 F HN 0.222 nan 8.300 nan 0.000 0.701 1034 S N 0.555 116.396 115.700 0.235 0.000 2.557 1034 S HA -0.396 4.074 4.470 -0.000 0.000 0.240 1034 S C 1.151 175.800 174.600 0.081 0.000 1.210 1034 S CA 1.777 60.045 58.200 0.114 0.000 2.526 1034 S CB -1.268 61.976 63.200 0.073 0.000 1.373 1034 S HN 0.632 nan 8.310 nan 0.000 0.497 1035 R N 2.983 123.523 120.500 0.067 0.000 2.646 1035 R HA 0.609 4.949 4.340 -0.000 0.000 0.226 1035 R C 0.224 176.551 176.300 0.045 0.000 0.928 1035 R CA 0.733 56.861 56.100 0.046 0.000 1.010 1035 R CB -0.181 30.134 30.300 0.026 0.000 1.516 1035 R HN 0.950 nan 8.270 nan 0.000 0.621 1036 K N 0.000 120.425 120.400 0.042 0.000 2.780 1036 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1036 K CA 0.000 56.303 56.287 0.026 0.000 0.838 1036 K CB 0.000 32.510 32.500 0.017 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543