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 2hqg_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 AKHPDMLTSV RPNGLEDTPQ FKIDIDQEKA QALGVSINDI NTTLGAAWGG DATA SEQUENCE SYVNDFIDRG RVKKVYVMSE AKYRMLPDDI GDWYVRAADG QMVPFSAFSS DATA SEQUENCE SRWEYGSPRL ERYNGLPSME ILGQAAPGKS TGEAMELMEQ LASKLPTGVG DATA SEQUENCE YDWTGMSYQE RLSGNQAPSL YAISLIVVFL CLAALYESWS IPFSVMLVVP DATA SEQUENCE LGVIGALLAA TFRGLTNDVY FQVGLLTTIG LSAKNAILIV EFAKDLMDKE DATA SEQUENCE GKGLIEATLD AVRMRLRPIL MASLAFILGV 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 0.000 176.315 176.300 0.026 0.000 2.045 7 D CA 0.000 54.010 54.000 0.016 0.000 0.868 7 D CB 0.000 40.818 40.800 0.031 0.000 0.688 8 R N 1.653 122.177 120.500 0.040 0.000 2.536 8 R HA 0.548 4.887 4.340 -0.002 0.000 0.279 8 R C -1.270 175.088 176.300 0.096 0.000 1.001 8 R CA -1.126 55.007 56.100 0.055 0.000 1.027 8 R CB 0.999 31.330 30.300 0.052 0.000 1.096 8 R HN 0.133 nan 8.270 nan 0.000 0.502 9 P HA -0.010 nan 4.420 nan 0.000 0.220 9 P C 0.969 178.352 177.300 0.139 0.000 1.154 9 P CA 0.536 63.669 63.100 0.056 0.000 0.830 9 P CB 0.181 31.855 31.700 -0.043 0.000 0.803 10 I N -1.217 119.449 120.570 0.159 0.000 2.361 10 I HA -0.160 4.008 4.170 -0.002 0.000 0.251 10 I C 2.206 178.473 176.117 0.250 0.000 1.133 10 I CA 1.080 62.511 61.300 0.217 0.000 1.413 10 I CB -0.641 37.462 38.000 0.171 0.000 1.073 10 I HN -0.232 nan 8.210 nan 0.000 0.424 11 F N 0.671 120.683 119.950 0.104 0.000 2.163 11 F HA -0.054 4.472 4.527 -0.002 0.000 0.297 11 F C 2.352 178.217 175.800 0.107 0.000 1.094 11 F CA 1.405 59.458 58.000 0.088 0.000 1.290 11 F CB -0.337 38.699 39.000 0.060 0.000 1.017 11 F HN 0.057 nan 8.300 nan 0.000 0.483 12 A N -0.979 121.993 122.820 0.254 0.000 1.968 12 A HA -0.209 4.110 4.320 -0.002 0.000 0.217 12 A C 1.832 179.529 177.584 0.188 0.000 1.169 12 A CA 1.138 53.282 52.037 0.178 0.000 0.638 12 A CB -1.516 17.605 19.000 0.201 0.000 0.812 12 A HN 0.656 nan 8.150 nan 0.000 0.446 13 W N -0.150 121.149 121.300 -0.002 0.000 2.937 13 W HA 0.095 4.754 4.660 -0.002 0.000 0.245 13 W C 1.654 178.145 176.519 -0.046 0.000 1.306 13 W CA 0.792 58.132 57.345 -0.010 0.000 1.470 13 W CB 0.099 29.567 29.460 0.014 0.000 1.132 13 W HN 0.135 nan 8.180 nan 0.000 0.675 14 V N -0.135 119.785 119.914 0.010 0.000 2.949 14 V HA -0.163 3.956 4.120 -0.002 0.000 0.245 14 V C 2.106 178.090 176.094 -0.184 0.000 1.086 14 V CA 0.696 62.917 62.300 -0.132 0.000 1.097 14 V CB -0.252 31.477 31.823 -0.156 0.000 0.762 14 V HN -0.116 nan 8.190 nan 0.000 0.470 15 I N 1.279 121.723 120.570 -0.209 0.000 2.208 15 I HA -0.220 3.949 4.170 -0.002 0.000 0.245 15 I C 2.699 178.765 176.117 -0.084 0.000 1.097 15 I CA 2.031 63.231 61.300 -0.166 0.000 1.363 15 I CB -1.565 36.358 38.000 -0.127 0.000 1.051 15 I HN 0.317 nan 8.210 nan 0.000 0.413 16 A N 0.897 123.685 122.820 -0.053 0.000 1.972 16 A HA -0.138 4.181 4.320 -0.002 0.000 0.219 16 A C 2.216 179.741 177.584 -0.097 0.000 1.169 16 A CA 1.065 53.074 52.037 -0.047 0.000 0.635 16 A CB -0.482 18.512 19.000 -0.010 0.000 0.810 16 A HN 0.279 nan 8.150 nan 0.000 0.446 17 I N -0.044 120.439 120.570 -0.145 0.000 2.315 17 I HA -0.189 3.980 4.170 -0.002 0.000 0.248 17 I C 2.313 178.370 176.117 -0.100 0.000 1.117 17 I CA 1.124 62.334 61.300 -0.151 0.000 1.404 17 I CB -1.083 36.806 38.000 -0.184 0.000 1.071 17 I HN 0.319 nan 8.210 nan 0.000 0.419 18 I N 0.514 121.030 120.570 -0.091 0.000 2.202 18 I HA -0.264 3.905 4.170 -0.002 0.000 0.242 18 I C 2.354 178.447 176.117 -0.039 0.000 1.091 18 I CA 1.083 62.344 61.300 -0.064 0.000 1.368 18 I CB -0.320 37.639 38.000 -0.070 0.000 1.058 18 I HN 0.060 nan 8.210 nan 0.000 0.410 19 I N 0.030 120.579 120.570 -0.035 0.000 2.454 19 I HA -0.251 3.918 4.170 -0.002 0.000 0.254 19 I C 2.447 178.562 176.117 -0.003 0.000 1.156 19 I CA 1.653 62.946 61.300 -0.012 0.000 1.433 19 I CB -0.883 37.111 38.000 -0.010 0.000 1.082 19 I HN 0.326 nan 8.210 nan 0.000 0.432 20 M N 0.046 119.632 119.600 -0.023 0.000 2.099 20 M HA -0.129 4.350 4.480 -0.002 0.000 0.262 20 M C 2.033 178.328 176.300 -0.009 0.000 1.067 20 M CA 1.635 56.925 55.300 -0.018 0.000 1.124 20 M CB -0.127 32.439 32.600 -0.057 0.000 1.353 20 M HN 0.016 nan 8.290 nan 0.000 0.410 21 L N -0.611 120.596 121.223 -0.025 0.000 2.044 21 L HA -0.031 4.307 4.340 -0.002 0.000 0.205 21 L C 2.554 179.421 176.870 -0.006 0.000 1.075 21 L CA 1.883 56.709 54.840 -0.023 0.000 0.747 21 L CB -1.834 40.204 42.059 -0.035 0.000 0.903 21 L HN 0.377 nan 8.230 nan 0.000 0.435 22 A N -0.069 122.751 122.820 0.001 0.000 1.933 22 A HA -0.117 4.202 4.320 -0.002 0.000 0.218 22 A C 2.339 179.949 177.584 0.043 0.000 1.175 22 A CA 1.731 53.777 52.037 0.016 0.000 0.628 22 A CB -1.012 17.997 19.000 0.015 0.000 0.814 22 A HN 0.444 nan 8.150 nan 0.000 0.444 23 G N -1.037 107.804 108.800 0.068 0.000 2.464 23 G HA2 0.154 4.113 3.960 -0.002 0.000 0.217 23 G HA3 0.154 4.113 3.960 -0.002 0.000 0.217 23 G C 1.406 176.378 174.900 0.119 0.000 1.138 23 G CA 1.101 46.292 45.100 0.151 0.000 0.793 23 G HN 0.668 nan 8.290 nan 0.000 0.539 24 G N 0.701 109.526 108.800 0.042 0.000 2.403 24 G HA2 -0.083 3.875 3.960 -0.002 0.000 0.216 24 G HA3 -0.083 3.875 3.960 -0.002 0.000 0.216 24 G C 1.568 176.439 174.900 -0.049 0.000 1.154 24 G CA 0.259 45.345 45.100 -0.023 0.000 0.784 24 G HN 0.290 nan 8.290 nan 0.000 0.538 25 L N 0.927 122.137 121.223 -0.022 0.000 2.291 25 L HA 0.107 4.445 4.340 -0.002 0.000 0.214 25 L C 3.041 179.895 176.870 -0.026 0.000 1.120 25 L CA 1.462 56.287 54.840 -0.026 0.000 0.799 25 L CB -0.872 41.179 42.059 -0.014 0.000 0.925 25 L HN 0.343 nan 8.230 nan 0.000 0.446 26 A N -0.797 122.018 122.820 -0.009 0.000 2.119 26 A HA -0.099 4.220 4.320 -0.002 0.000 0.216 26 A C 2.144 179.688 177.584 -0.067 0.000 1.152 26 A CA 0.529 52.569 52.037 0.005 0.000 0.708 26 A CB -0.306 18.745 19.000 0.085 0.000 0.805 26 A HN 0.281 nan 8.150 nan 0.000 0.460 27 I N -0.801 119.669 120.570 -0.166 0.000 2.830 27 I HA -0.070 4.098 4.170 -0.002 0.000 0.263 27 I C 1.249 177.270 176.117 -0.159 0.000 1.230 27 I CA 0.664 61.797 61.300 -0.277 0.000 1.480 27 I CB 0.032 37.793 38.000 -0.398 0.000 1.095 27 I HN 0.194 nan 8.210 nan 0.000 0.455 28 L N 0.405 121.567 121.223 -0.101 0.000 2.711 28 L HA -0.029 4.310 4.340 -0.002 0.000 0.242 28 L C 1.759 178.600 176.870 -0.049 0.000 1.153 28 L CA 0.821 55.620 54.840 -0.069 0.000 0.898 28 L CB -0.739 41.289 42.059 -0.051 0.000 1.044 28 L HN -0.004 nan 8.230 nan 0.000 0.437 29 K N 0.107 120.477 120.400 -0.049 0.000 2.487 29 K HA 0.139 4.458 4.320 -0.002 0.000 0.192 29 K C 0.631 177.213 176.600 -0.031 0.000 1.027 29 K CA -0.064 56.207 56.287 -0.026 0.000 1.054 29 K CB -0.201 32.296 32.500 -0.006 0.000 0.824 29 K HN 0.285 nan 8.250 nan 0.000 0.510 30 L N 3.494 124.686 121.223 -0.053 0.000 2.490 30 L HA 0.092 4.431 4.340 -0.002 0.000 0.274 30 L C -2.040 174.810 176.870 -0.035 0.000 1.201 30 L CA -1.017 53.792 54.840 -0.051 0.000 0.869 30 L CB 0.196 42.212 42.059 -0.072 0.000 1.123 30 L HN -0.075 nan 8.230 nan 0.000 0.484 31 P HA 0.072 nan 4.420 nan 0.000 0.276 31 P C -0.703 176.588 177.300 -0.016 0.000 1.264 31 P CA -0.135 62.950 63.100 -0.025 0.000 0.769 31 P CB 1.144 32.835 31.700 -0.016 0.000 0.840 32 V N 4.126 124.026 119.914 -0.025 0.000 2.432 32 V HA 0.334 4.453 4.120 -0.002 0.000 0.271 32 V C 0.924 177.011 176.094 -0.012 0.000 1.046 32 V CA -0.297 61.997 62.300 -0.010 0.000 0.945 32 V CB 0.701 32.517 31.823 -0.012 0.000 0.992 32 V HN 0.757 nan 8.190 nan 0.000 0.471 33 A N 5.023 127.847 122.820 0.007 0.000 2.313 33 A HA 0.377 4.696 4.320 -0.002 0.000 0.261 33 A C 1.077 178.642 177.584 -0.032 0.000 1.090 33 A CA 0.022 52.060 52.037 0.002 0.000 0.807 33 A CB 0.399 19.422 19.000 0.038 0.000 1.055 33 A HN 0.955 nan 8.150 nan 0.000 0.492 34 Q N 0.564 120.304 119.800 -0.100 0.000 1.723 34 Q HA -0.150 4.189 4.340 -0.002 0.000 0.363 34 Q C -0.271 175.591 176.000 -0.231 0.000 0.987 34 Q CA 1.206 56.846 55.803 -0.272 0.000 0.896 34 Q CB -0.740 27.695 28.738 -0.504 0.000 0.941 34 Q HN 0.673 nan 8.270 nan 0.000 0.410 35 Y N 2.568 122.924 120.300 0.093 0.000 2.683 35 Y HA 0.080 4.628 4.550 -0.002 0.000 0.340 35 Y C -1.723 174.219 175.900 0.069 0.000 1.245 35 Y CA -1.397 56.750 58.100 0.078 0.000 1.485 35 Y CB -0.677 37.827 38.460 0.074 0.000 1.328 35 Y HN 0.340 nan 8.280 nan 0.000 0.603 36 P HA -0.274 nan 4.420 nan 0.000 0.105 36 P C -0.165 177.223 177.300 0.147 0.000 0.856 36 P CA 0.658 63.857 63.100 0.165 0.000 1.007 36 P CB -0.340 31.454 31.700 0.158 0.000 1.630 37 T N 3.041 117.650 114.554 0.092 0.000 2.928 37 T HA 0.200 4.549 4.350 -0.002 0.000 0.305 37 T C 1.586 176.284 174.700 -0.003 0.000 1.035 37 T CA -0.298 61.833 62.100 0.052 0.000 1.145 37 T CB 0.013 68.911 68.868 0.050 0.000 0.963 37 T HN 0.170 nan 8.240 nan 0.000 0.545 38 I N 2.690 123.241 120.570 -0.031 0.000 3.971 38 I HA 0.321 4.490 4.170 -0.002 0.000 0.303 38 I C 1.437 177.542 176.117 -0.020 0.000 1.233 38 I CA -0.241 61.030 61.300 -0.050 0.000 1.346 38 I CB -1.504 36.435 38.000 -0.100 0.000 1.273 38 I HN 0.627 nan 8.210 nan 0.000 0.448 39 A N 5.534 128.346 122.820 -0.014 0.000 2.545 39 A HA 0.239 4.558 4.320 -0.002 0.000 0.253 39 A C -2.048 175.555 177.584 0.032 0.000 1.074 39 A CA -0.560 51.481 52.037 0.007 0.000 0.760 39 A CB -1.060 17.946 19.000 0.010 0.000 1.005 39 A HN 0.133 nan 8.150 nan 0.000 0.506 40 P HA 0.146 nan 4.420 nan 0.000 0.264 40 P C -2.568 174.773 177.300 0.068 0.000 1.229 40 P CA -1.025 62.108 63.100 0.055 0.000 0.780 40 P CB -0.141 31.587 31.700 0.047 0.000 0.808 41 P HA -0.019 nan 4.420 nan 0.000 0.261 41 P C -0.394 177.017 177.300 0.184 0.000 1.173 41 P CA 0.586 63.760 63.100 0.124 0.000 0.760 41 P CB 0.323 32.090 31.700 0.112 0.000 0.783 42 A N 3.967 126.868 122.820 0.134 0.000 2.273 42 A HA 0.508 4.827 4.320 -0.002 0.000 0.315 42 A C -0.516 177.152 177.584 0.141 0.000 1.256 42 A CA -0.604 51.508 52.037 0.124 0.000 0.851 42 A CB 0.826 19.872 19.000 0.076 0.000 1.172 42 A HN 0.329 nan 8.150 nan 0.000 0.508 43 V N 3.206 123.237 119.914 0.196 0.000 2.378 43 V HA 0.491 4.610 4.120 -0.002 0.000 0.288 43 V C -0.029 176.129 176.094 0.107 0.000 1.016 43 V CA -0.233 62.172 62.300 0.175 0.000 0.840 43 V CB 1.591 33.596 31.823 0.304 0.000 0.994 43 V HN 0.916 nan 8.190 nan 0.000 0.431 44 T N 6.352 120.948 114.554 0.070 0.000 2.797 44 T HA 0.704 5.053 4.350 -0.002 0.000 0.279 44 T C -0.286 174.437 174.700 0.038 0.000 0.991 44 T CA -0.245 61.883 62.100 0.047 0.000 0.979 44 T CB 1.370 70.263 68.868 0.041 0.000 0.943 44 T HN 0.378 nan 8.240 nan 0.000 0.444 45 I N 2.029 122.617 120.570 0.029 0.000 2.377 45 I HA 0.517 4.686 4.170 -0.002 0.000 0.293 45 I C 0.158 176.286 176.117 0.019 0.000 0.987 45 I CA -0.482 60.832 61.300 0.023 0.000 1.185 45 I CB 1.654 39.665 38.000 0.018 0.000 1.341 45 I HN 0.487 nan 8.210 nan 0.000 0.455 46 S N 4.091 119.800 115.700 0.016 0.000 2.557 46 S HA 0.871 5.339 4.470 -0.002 0.000 0.291 46 S C -0.698 173.910 174.600 0.013 0.000 1.116 46 S CA -0.664 57.546 58.200 0.016 0.000 0.992 46 S CB 2.005 65.215 63.200 0.016 0.000 1.028 46 S HN 0.776 nan 8.310 nan 0.000 0.484 47 A N 1.634 124.465 122.820 0.018 0.000 2.498 47 A HA 0.904 5.223 4.320 -0.002 0.000 0.298 47 A C -0.765 176.840 177.584 0.035 0.000 1.075 47 A CA -0.786 51.261 52.037 0.017 0.000 0.714 47 A CB 1.954 20.963 19.000 0.015 0.000 1.299 47 A HN 0.641 nan 8.150 nan 0.000 0.407 48 S N 0.390 116.111 115.700 0.035 0.000 2.779 48 S HA 0.495 4.964 4.470 -0.002 0.000 0.293 48 S C -1.665 172.993 174.600 0.097 0.000 1.150 48 S CA -0.233 58.010 58.200 0.071 0.000 1.057 48 S CB 0.343 63.580 63.200 0.061 0.000 1.021 48 S HN 0.646 nan 8.310 nan 0.000 0.485 49 Y N 7.076 127.391 120.300 0.024 0.000 2.425 49 Y HA 0.391 4.940 4.550 -0.002 0.000 0.347 49 Y C -2.030 173.901 175.900 0.052 0.000 0.976 49 Y CA -2.331 55.788 58.100 0.032 0.000 1.190 49 Y CB 1.004 39.478 38.460 0.023 0.000 1.136 49 Y HN 0.466 nan 8.280 nan 0.000 0.517 50 P HA 0.118 nan 4.420 nan 0.000 0.276 50 P C 0.533 178.000 177.300 0.279 0.000 1.253 50 P CA 0.874 64.141 63.100 0.277 0.000 0.766 50 P CB 1.131 32.998 31.700 0.278 0.000 0.845 51 G N 2.271 111.179 108.800 0.180 0.000 2.179 51 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.260 51 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.260 51 G C 0.329 175.264 174.900 0.059 0.000 0.977 51 G CA 0.092 45.271 45.100 0.132 0.000 0.641 51 G HN 0.885 nan 8.290 nan 0.000 0.533 52 A N 0.225 123.052 122.820 0.011 0.000 2.304 52 A HA 0.665 4.984 4.320 -0.002 0.000 0.301 52 A C 0.418 177.946 177.584 -0.094 0.000 1.132 52 A CA 0.367 52.304 52.037 -0.167 0.000 0.819 52 A CB 0.465 19.140 19.000 -0.542 0.000 1.094 52 A HN 0.892 nan 8.150 nan 0.000 0.492 53 D N 0.545 120.878 120.400 -0.111 0.000 2.398 53 D HA 0.449 5.088 4.640 -0.002 0.000 0.247 53 D C 1.030 177.298 176.300 -0.053 0.000 1.227 53 D CA 0.062 54.027 54.000 -0.058 0.000 0.980 53 D CB 0.831 41.600 40.800 -0.052 0.000 1.106 53 D HN 0.414 nan 8.370 nan 0.000 0.493 54 A N -0.008 122.798 122.820 -0.024 0.000 1.930 54 A HA -0.147 4.172 4.320 -0.002 0.000 0.217 54 A C 2.006 179.568 177.584 -0.037 0.000 1.175 54 A CA 1.615 53.640 52.037 -0.021 0.000 0.627 54 A CB -0.784 18.212 19.000 -0.007 0.000 0.815 54 A HN 0.520 nan 8.150 nan 0.000 0.443 55 K N -0.658 119.719 120.400 -0.038 0.000 2.103 55 K HA -0.060 4.259 4.320 -0.002 0.000 0.204 55 K C 2.047 178.618 176.600 -0.048 0.000 1.052 55 K CA 2.024 58.286 56.287 -0.041 0.000 0.945 55 K CB -0.782 31.704 32.500 -0.024 0.000 0.722 55 K HN 0.343 nan 8.250 nan 0.000 0.443 56 T N -0.482 114.028 114.554 -0.072 0.000 2.851 56 T HA -0.051 4.298 4.350 -0.002 0.000 0.262 56 T C 1.641 176.292 174.700 -0.081 0.000 1.043 56 T CA 1.403 63.445 62.100 -0.098 0.000 1.140 56 T CB -0.256 68.509 68.868 -0.172 0.000 0.872 56 T HN 0.106 nan 8.240 nan 0.000 0.446 57 V N 0.118 119.987 119.914 -0.075 0.000 2.759 57 V HA -0.057 4.062 4.120 -0.002 0.000 0.256 57 V C 2.304 178.408 176.094 0.017 0.000 1.080 57 V CA 1.946 64.245 62.300 -0.002 0.000 1.101 57 V CB -0.990 30.846 31.823 0.023 0.000 0.698 57 V HN 0.505 nan 8.190 nan 0.000 0.477 58 Q N 0.349 120.144 119.800 -0.008 0.000 2.049 58 Q HA -0.195 4.144 4.340 -0.002 0.000 0.198 58 Q C 1.907 177.907 176.000 -0.001 0.000 0.971 58 Q CA 2.068 57.866 55.803 -0.009 0.000 0.833 58 Q CB -0.042 28.679 28.738 -0.029 0.000 0.896 58 Q HN 0.693 nan 8.270 nan 0.000 0.434 59 D N -0.807 119.590 120.400 -0.005 0.000 2.234 59 D HA -0.066 4.573 4.640 -0.002 0.000 0.205 59 D C 1.434 177.745 176.300 0.018 0.000 0.962 59 D CA 1.066 55.067 54.000 0.002 0.000 0.855 59 D CB 0.011 40.808 40.800 -0.005 0.000 0.951 59 D HN 0.168 nan 8.370 nan 0.000 0.500 60 T N -1.089 113.486 114.554 0.034 0.000 3.015 60 T HA 0.122 4.471 4.350 -0.002 0.000 0.250 60 T C 1.500 176.253 174.700 0.089 0.000 1.057 60 T CA 0.319 62.462 62.100 0.073 0.000 1.066 60 T CB 0.314 69.252 68.868 0.118 0.000 0.959 60 T HN -0.114 nan 8.240 nan 0.000 0.488 61 V N -0.140 119.822 119.914 0.081 0.000 3.134 61 V HA 0.088 4.207 4.120 -0.002 0.000 0.222 61 V C 2.584 178.700 176.094 0.037 0.000 1.247 61 V CA 1.011 63.352 62.300 0.068 0.000 1.281 61 V CB -0.451 31.430 31.823 0.098 0.000 1.169 61 V HN 0.278 nan 8.190 nan 0.000 0.512 62 T N 0.349 114.922 114.554 0.032 0.000 2.635 62 T HA -0.318 4.030 4.350 -0.002 0.000 0.267 62 T C 1.840 176.544 174.700 0.007 0.000 1.040 62 T CA 2.255 64.364 62.100 0.015 0.000 1.156 62 T CB -0.300 68.574 68.868 0.009 0.000 0.863 62 T HN 0.425 nan 8.240 nan 0.000 0.430 63 Q N 0.075 119.879 119.800 0.007 0.000 2.167 63 Q HA -0.044 4.295 4.340 -0.002 0.000 0.202 63 Q C 2.583 178.585 176.000 0.003 0.000 0.970 63 Q CA 0.962 56.767 55.803 0.002 0.000 0.855 63 Q CB -0.263 28.477 28.738 0.003 0.000 0.911 63 Q HN 0.390 nan 8.270 nan 0.000 0.438 64 V N 0.869 120.789 119.914 0.009 0.000 2.515 64 V HA -0.224 3.895 4.120 -0.002 0.000 0.250 64 V C 2.085 178.181 176.094 0.004 0.000 1.058 64 V CA 1.087 63.392 62.300 0.008 0.000 1.064 64 V CB -0.406 31.425 31.823 0.014 0.000 0.675 64 V HN 0.336 nan 8.190 nan 0.000 0.461 65 I N 0.348 120.920 120.570 0.004 0.000 2.233 65 I HA -0.143 4.026 4.170 -0.002 0.000 0.243 65 I C 2.514 178.627 176.117 -0.006 0.000 1.093 65 I CA 1.431 62.731 61.300 0.000 0.000 1.380 65 I CB -1.325 36.677 38.000 0.003 0.000 1.067 65 I HN 0.405 nan 8.210 nan 0.000 0.413 66 E N 0.471 120.665 120.200 -0.010 0.000 2.077 66 E HA -0.289 4.060 4.350 -0.002 0.000 0.193 66 E C 2.143 178.732 176.600 -0.018 0.000 0.989 66 E CA 1.146 57.534 56.400 -0.020 0.000 0.800 66 E CB -0.186 29.500 29.700 -0.024 0.000 0.746 66 E HN 0.378 nan 8.360 nan 0.000 0.452 67 Q N 0.775 120.568 119.800 -0.011 0.000 2.234 67 Q HA -0.146 4.193 4.340 -0.002 0.000 0.206 67 Q C 1.046 177.042 176.000 -0.008 0.000 0.980 67 Q CA 1.276 57.074 55.803 -0.009 0.000 0.869 67 Q CB -0.035 28.701 28.738 -0.004 0.000 0.912 67 Q HN 0.123 nan 8.270 nan 0.000 0.436 68 N N -1.367 117.329 118.700 -0.006 0.000 2.235 68 N HA 0.101 4.840 4.740 -0.002 0.000 0.209 68 N C -0.759 174.748 175.510 -0.004 0.000 1.122 68 N CA -0.169 52.878 53.050 -0.004 0.000 0.845 68 N CB 0.372 38.858 38.487 -0.001 0.000 1.004 68 N HN 0.083 nan 8.380 nan 0.000 0.499 69 M N 1.377 120.971 119.600 -0.010 0.000 3.028 69 M HA 0.268 4.747 4.480 -0.002 0.000 0.296 69 M C -1.204 175.088 176.300 -0.013 0.000 1.314 69 M CA 0.026 55.319 55.300 -0.011 0.000 1.383 69 M CB -0.461 32.124 32.600 -0.026 0.000 1.128 69 M HN 0.031 nan 8.290 nan 0.000 0.544 70 N N -0.142 118.557 118.700 -0.003 0.000 2.310 70 N HA 0.637 5.376 4.740 -0.002 0.000 0.292 70 N C 0.445 175.960 175.510 0.008 0.000 1.049 70 N CA -0.258 52.791 53.050 -0.002 0.000 0.849 70 N CB 1.998 40.483 38.487 -0.003 0.000 1.532 70 N HN 0.663 nan 8.380 nan 0.000 0.479 71 G N 1.216 110.023 108.800 0.011 0.000 2.130 71 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.216 71 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.216 71 G C -0.257 174.663 174.900 0.034 0.000 0.999 71 G CA -0.503 44.608 45.100 0.019 0.000 0.686 71 G HN 0.505 nan 8.290 nan 0.000 0.515 72 I N 1.753 122.353 120.570 0.049 0.000 2.379 72 I HA 0.193 4.362 4.170 -0.002 0.000 0.290 72 I C -0.046 176.145 176.117 0.123 0.000 1.063 72 I CA -0.717 60.643 61.300 0.100 0.000 1.351 72 I CB 0.590 38.675 38.000 0.141 0.000 1.410 72 I HN -0.012 nan 8.210 nan 0.000 0.505 73 D N 8.388 128.851 120.400 0.105 0.000 2.412 73 D HA 0.022 4.661 4.640 -0.002 0.000 0.257 73 D C 0.166 176.561 176.300 0.157 0.000 1.217 73 D CA 0.653 54.704 54.000 0.086 0.000 0.897 73 D CB 0.130 40.951 40.800 0.034 0.000 1.132 73 D HN 0.584 nan 8.370 nan 0.000 0.493 74 N N 0.704 119.488 118.700 0.140 0.000 4.707 74 N HA -0.186 4.553 4.740 -0.002 0.000 0.346 74 N C -0.647 175.003 175.510 0.233 0.000 1.724 74 N CA 0.697 53.857 53.050 0.184 0.000 2.904 74 N CB -0.185 38.425 38.487 0.205 0.000 0.410 74 N HN 0.584 nan 8.380 nan 0.000 0.805 75 L N -2.261 118.984 121.223 0.036 0.000 3.490 75 L HA 0.275 4.614 4.340 -0.002 0.000 0.238 75 L C -0.315 176.414 176.870 -0.236 0.000 0.998 75 L CA -0.871 53.808 54.840 -0.268 0.000 1.044 75 L CB 0.897 42.746 42.059 -0.350 0.000 1.618 75 L HN 0.697 nan 8.230 nan 0.000 0.438 76 M N 1.482 120.836 119.600 -0.409 0.000 2.557 76 M HA 0.316 4.795 4.480 -0.002 0.000 0.262 76 M C -0.550 175.584 176.300 -0.276 0.000 1.168 76 M CA 1.038 56.111 55.300 -0.379 0.000 1.194 76 M CB 0.530 32.743 32.600 -0.645 0.000 1.311 76 M HN 0.767 nan 8.290 nan 0.000 0.489 77 Y N -1.818 118.373 120.300 -0.182 0.000 2.818 77 Y HA 0.504 5.053 4.550 -0.002 0.000 0.341 77 Y C -1.267 174.431 175.900 -0.337 0.000 1.283 77 Y CA -2.344 55.591 58.100 -0.275 0.000 1.075 77 Y CB 0.344 38.648 38.460 -0.260 0.000 1.370 77 Y HN 0.080 nan 8.280 nan 0.000 0.448 78 M N 0.876 120.367 119.600 -0.183 0.000 2.267 78 M HA 0.867 5.346 4.480 -0.002 0.000 0.289 78 M C -1.843 174.328 176.300 -0.215 0.000 1.043 78 M CA -0.642 54.558 55.300 -0.167 0.000 0.928 78 M CB 2.452 34.948 32.600 -0.173 0.000 1.613 78 M HN 0.494 nan 8.290 nan 0.000 0.450 79 S N 1.706 117.371 115.700 -0.058 0.000 2.509 79 S HA 0.765 5.234 4.470 -0.002 0.000 0.297 79 S C -0.739 173.865 174.600 0.006 0.000 1.118 79 S CA -0.667 57.530 58.200 -0.005 0.000 1.074 79 S CB 2.066 65.314 63.200 0.080 0.000 1.038 79 S HN 0.759 nan 8.310 nan 0.000 0.498 80 S N 0.630 116.341 115.700 0.018 0.000 2.599 80 S HA 0.581 5.049 4.470 -0.002 0.000 0.287 80 S C -0.015 174.598 174.600 0.022 0.000 1.105 80 S CA -0.631 57.577 58.200 0.013 0.000 0.899 80 S CB 1.163 64.362 63.200 -0.001 0.000 1.100 80 S HN 0.687 nan 8.310 nan 0.000 0.482 81 N N 0.631 119.341 118.700 0.016 0.000 2.677 81 N HA 0.121 4.860 4.740 -0.002 0.000 0.242 81 N C -0.731 174.783 175.510 0.007 0.000 1.044 81 N CA 1.169 54.229 53.050 0.016 0.000 0.934 81 N CB -0.288 38.212 38.487 0.022 0.000 1.595 81 N HN 0.920 nan 8.380 nan 0.000 0.459 82 S N 1.361 117.066 115.700 0.008 0.000 3.407 82 S HA -0.189 4.280 4.470 -0.002 0.000 0.394 82 S C -0.454 174.148 174.600 0.002 0.000 0.801 82 S CA 0.247 58.450 58.200 0.005 0.000 1.347 82 S CB -1.471 61.727 63.200 -0.004 0.000 1.257 82 S HN 0.321 nan 8.310 nan 0.000 0.618 83 D N 1.292 121.698 120.400 0.010 0.000 2.432 83 D HA 0.467 5.106 4.640 -0.002 0.000 0.258 83 D C 1.228 177.536 176.300 0.014 0.000 1.146 83 D CA -0.312 53.695 54.000 0.011 0.000 1.015 83 D CB 1.834 42.639 40.800 0.009 0.000 1.107 83 D HN 0.446 nan 8.370 nan 0.000 0.529 84 S N -0.813 114.900 115.700 0.021 0.000 2.402 84 S HA -0.134 4.335 4.470 -0.002 0.000 0.229 84 S C 1.813 176.431 174.600 0.030 0.000 1.021 84 S CA 1.666 59.882 58.200 0.026 0.000 0.974 84 S CB -0.126 63.097 63.200 0.040 0.000 0.800 84 S HN 0.674 nan 8.310 nan 0.000 0.484 85 T N -1.475 113.098 114.554 0.032 0.000 3.007 85 T HA 0.199 4.548 4.350 -0.002 0.000 0.270 85 T C 1.480 176.211 174.700 0.053 0.000 1.107 85 T CA 1.125 63.249 62.100 0.041 0.000 1.118 85 T CB -0.289 68.597 68.868 0.030 0.000 0.889 85 T HN 0.584 nan 8.240 nan 0.000 0.506 86 G N 1.302 110.131 108.800 0.047 0.000 2.138 86 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.193 86 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.193 86 G C 0.098 175.047 174.900 0.081 0.000 0.998 86 G CA -0.045 45.099 45.100 0.074 0.000 0.668 86 G HN 1.121 nan 8.290 nan 0.000 0.516 87 T N -2.089 112.494 114.554 0.049 0.000 2.824 87 T HA 0.741 5.090 4.350 -0.002 0.000 0.280 87 T C -0.300 174.417 174.700 0.028 0.000 0.995 87 T CA -0.383 61.739 62.100 0.037 0.000 1.009 87 T CB 2.840 71.717 68.868 0.015 0.000 0.955 87 T HN 1.445 nan 8.240 nan 0.000 0.452 88 V N 2.745 122.677 119.914 0.030 0.000 2.638 88 V HA 0.564 4.683 4.120 -0.002 0.000 0.306 88 V C -1.536 174.570 176.094 0.019 0.000 1.052 88 V CA -0.570 61.745 62.300 0.024 0.000 0.885 88 V CB 2.006 33.846 31.823 0.028 0.000 0.999 88 V HN 1.059 nan 8.190 nan 0.000 0.424 89 Q N 5.779 125.590 119.800 0.018 0.000 2.310 89 Q HA 0.590 4.929 4.340 -0.002 0.000 0.270 89 Q C -1.537 174.474 176.000 0.018 0.000 1.025 89 Q CA -0.541 55.273 55.803 0.019 0.000 0.772 89 Q CB 2.634 31.385 28.738 0.023 0.000 1.253 89 Q HN 0.741 nan 8.270 nan 0.000 0.450 90 I N 1.975 122.553 120.570 0.014 0.000 2.359 90 I HA 0.204 4.373 4.170 -0.002 0.000 0.284 90 I C -0.233 175.887 176.117 0.006 0.000 1.018 90 I CA -0.131 61.172 61.300 0.004 0.000 1.173 90 I CB 1.763 39.758 38.000 -0.008 0.000 1.326 90 I HN 0.404 nan 8.210 nan 0.000 0.462 91 T N 7.284 121.845 114.554 0.011 0.000 2.891 91 T HA 0.409 4.758 4.350 -0.002 0.000 0.315 91 T C 0.206 174.885 174.700 -0.035 0.000 1.054 91 T CA -0.363 61.746 62.100 0.016 0.000 0.958 91 T CB -0.129 68.770 68.868 0.051 0.000 1.008 91 T HN 0.263 nan 8.240 nan 0.000 0.521 92 L N 4.150 125.319 121.223 -0.089 0.000 2.407 92 L HA 0.212 4.551 4.340 -0.002 0.000 0.282 92 L C 0.695 177.296 176.870 -0.448 0.000 1.110 92 L CA -0.155 54.511 54.840 -0.290 0.000 0.863 92 L CB 0.088 41.968 42.059 -0.298 0.000 1.207 92 L HN 0.546 nan 8.230 nan 0.000 0.454 93 T N 3.467 117.720 114.554 -0.502 0.000 2.806 93 T HA 0.486 4.835 4.350 -0.002 0.000 0.290 93 T C -0.199 174.108 174.700 -0.654 0.000 0.966 93 T CA -0.220 61.606 62.100 -0.455 0.000 1.060 93 T CB 0.608 69.205 68.868 -0.452 0.000 0.927 93 T HN 0.061 nan 8.240 nan 0.000 0.485 94 F N 0.585 120.432 119.950 -0.172 0.000 2.518 94 F HA 0.528 5.054 4.527 -0.002 0.000 0.338 94 F C 0.868 176.606 175.800 -0.103 0.000 1.065 94 F CA -1.436 56.487 58.000 -0.128 0.000 1.012 94 F CB 0.810 39.767 39.000 -0.071 0.000 1.297 94 F HN 0.318 nan 8.300 nan 0.000 0.489 95 E N 0.012 120.307 120.200 0.158 0.000 2.360 95 E HA 0.100 4.449 4.350 -0.002 0.000 0.269 95 E C -0.334 176.322 176.600 0.093 0.000 1.022 95 E CA -0.040 56.413 56.400 0.089 0.000 0.887 95 E CB 0.833 30.581 29.700 0.080 0.000 0.990 95 E HN 0.381 nan 8.360 nan 0.000 0.426 96 S N 2.622 118.371 115.700 0.081 0.000 2.611 96 S HA 0.297 4.766 4.470 -0.002 0.000 0.317 96 S C 0.884 175.531 174.600 0.079 0.000 1.208 96 S CA 0.911 59.157 58.200 0.078 0.000 1.217 96 S CB -0.976 62.274 63.200 0.083 0.000 1.085 96 S HN 0.725 nan 8.310 nan 0.000 0.529 97 G N 3.032 111.869 108.800 0.061 0.000 2.273 97 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.162 97 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.162 97 G C 0.084 175.002 174.900 0.030 0.000 1.006 97 G CA -0.116 45.017 45.100 0.053 0.000 0.704 97 G HN 1.069 nan 8.290 nan 0.000 0.487 98 T N -0.421 114.143 114.554 0.018 0.000 2.907 98 T HA 0.451 4.800 4.350 -0.002 0.000 0.298 98 T C 0.009 174.663 174.700 -0.077 0.000 1.017 98 T CA 0.123 62.205 62.100 -0.030 0.000 1.118 98 T CB 2.020 70.861 68.868 -0.046 0.000 0.948 98 T HN 0.131 nan 8.240 nan 0.000 0.531 99 D N 1.713 122.059 120.400 -0.089 0.000 2.383 99 D HA 0.201 4.840 4.640 -0.002 0.000 0.275 99 D C 1.244 177.452 176.300 -0.153 0.000 1.344 99 D CA 0.144 54.089 54.000 -0.092 0.000 0.984 99 D CB 0.074 40.829 40.800 -0.075 0.000 1.104 99 D HN 0.698 nan 8.370 nan 0.000 0.524 100 A N 4.076 126.826 122.820 -0.116 0.000 2.125 100 A HA -0.154 4.165 4.320 -0.002 0.000 0.219 100 A C 1.715 179.230 177.584 -0.115 0.000 1.156 100 A CA 0.996 52.956 52.037 -0.128 0.000 0.671 100 A CB 0.009 18.976 19.000 -0.056 0.000 0.794 100 A HN 0.580 nan 8.150 nan 0.000 0.459 101 D N -0.813 119.532 120.400 -0.091 0.000 2.183 101 D HA -0.006 4.633 4.640 -0.002 0.000 0.205 101 D C 1.591 177.838 176.300 -0.088 0.000 0.962 101 D CA 0.717 54.675 54.000 -0.070 0.000 0.849 101 D CB -0.030 40.743 40.800 -0.044 0.000 0.978 101 D HN 0.440 nan 8.370 nan 0.000 0.488 102 I N 1.026 121.526 120.570 -0.115 0.000 2.584 102 I HA -0.014 4.155 4.170 -0.002 0.000 0.255 102 I C 2.028 178.034 176.117 -0.186 0.000 1.145 102 I CA 0.449 61.677 61.300 -0.119 0.000 1.462 102 I CB 0.054 37.995 38.000 -0.097 0.000 1.102 102 I HN -0.161 nan 8.210 nan 0.000 0.433 103 A N -0.516 122.106 122.820 -0.331 0.000 2.168 103 A HA -0.166 4.153 4.320 -0.002 0.000 0.215 103 A C 2.115 179.509 177.584 -0.316 0.000 1.152 103 A CA 1.370 53.038 52.037 -0.615 0.000 0.716 103 A CB -0.494 17.700 19.000 -1.343 0.000 0.794 103 A HN 0.549 nan 8.150 nan 0.000 0.465 104 Q N 0.142 119.842 119.800 -0.166 0.000 2.089 104 Q HA -0.081 4.258 4.340 -0.002 0.000 0.195 104 Q C 1.844 177.829 176.000 -0.026 0.000 0.963 104 Q CA 2.271 58.039 55.803 -0.058 0.000 0.834 104 Q CB -0.387 28.323 28.738 -0.046 0.000 0.906 104 Q HN 0.538 nan 8.270 nan 0.000 0.452 105 V N -0.235 119.656 119.914 -0.039 0.000 2.591 105 V HA -0.179 3.940 4.120 -0.002 0.000 0.249 105 V C 2.197 178.286 176.094 -0.008 0.000 1.053 105 V CA 1.625 63.913 62.300 -0.020 0.000 1.068 105 V CB -1.329 30.479 31.823 -0.024 0.000 0.689 105 V HN 0.584 nan 8.190 nan 0.000 0.462 106 Q N 0.573 120.366 119.800 -0.011 0.000 2.172 106 Q HA -0.059 4.280 4.340 -0.002 0.000 0.200 106 Q C 2.198 178.223 176.000 0.042 0.000 0.964 106 Q CA 1.911 57.721 55.803 0.012 0.000 0.855 106 Q CB -0.627 28.116 28.738 0.009 0.000 0.918 106 Q HN 0.485 nan 8.270 nan 0.000 0.444 107 V N 1.406 121.361 119.914 0.068 0.000 2.427 107 V HA -0.221 3.898 4.120 -0.002 0.000 0.248 107 V C 2.534 178.656 176.094 0.047 0.000 1.051 107 V CA 1.854 64.207 62.300 0.089 0.000 1.048 107 V CB -0.491 31.421 31.823 0.148 0.000 0.666 107 V HN 0.418 nan 8.190 nan 0.000 0.456 108 Q N 0.096 119.915 119.800 0.032 0.000 2.167 108 Q HA -0.145 4.194 4.340 -0.002 0.000 0.202 108 Q C 1.906 177.912 176.000 0.011 0.000 0.970 108 Q CA 1.191 57.005 55.803 0.018 0.000 0.855 108 Q CB -0.215 28.529 28.738 0.010 0.000 0.911 108 Q HN 0.611 nan 8.270 nan 0.000 0.438 109 N N 0.018 118.725 118.700 0.011 0.000 2.463 109 N HA -0.046 4.693 4.740 -0.002 0.000 0.181 109 N C 1.199 176.715 175.510 0.009 0.000 1.078 109 N CA 0.409 53.463 53.050 0.007 0.000 0.902 109 N CB 0.225 38.715 38.487 0.004 0.000 0.970 109 N HN 0.126 nan 8.380 nan 0.000 0.451 110 K N 0.497 120.906 120.400 0.015 0.000 2.186 110 K HA 0.064 4.383 4.320 -0.002 0.000 0.202 110 K C 1.786 178.390 176.600 0.008 0.000 1.052 110 K CA 0.128 56.422 56.287 0.013 0.000 0.965 110 K CB -0.274 32.237 32.500 0.019 0.000 0.746 110 K HN 0.119 nan 8.250 nan 0.000 0.457 111 L N 1.740 122.968 121.223 0.009 0.000 2.141 111 L HA -0.086 4.253 4.340 -0.002 0.000 0.209 111 L C 1.892 178.762 176.870 -0.001 0.000 1.094 111 L CA 1.499 56.342 54.840 0.004 0.000 0.763 111 L CB -0.186 41.877 42.059 0.006 0.000 0.908 111 L HN 0.042 nan 8.230 nan 0.000 0.437 112 Q N -0.455 119.345 119.800 -0.000 0.000 2.500 112 Q HA -0.004 4.335 4.340 -0.002 0.000 0.213 112 Q C 1.762 177.759 176.000 -0.004 0.000 0.974 112 Q CA 0.945 56.745 55.803 -0.004 0.000 0.918 112 Q CB 0.042 28.778 28.738 -0.004 0.000 0.980 112 Q HN 0.572 nan 8.270 nan 0.000 0.505 113 L N -1.793 119.428 121.223 -0.002 0.000 2.638 113 L HA 0.248 4.587 4.340 -0.002 0.000 0.232 113 L C 1.617 178.485 176.870 -0.003 0.000 1.099 113 L CA 0.363 55.202 54.840 -0.003 0.000 0.883 113 L CB 0.134 42.193 42.059 -0.001 0.000 1.136 113 L HN -0.072 nan 8.230 nan 0.000 0.492 114 A N -0.748 122.070 122.820 -0.003 0.000 2.343 114 A HA 0.083 4.402 4.320 -0.002 0.000 0.223 114 A C 1.910 179.490 177.584 -0.007 0.000 1.214 114 A CA -0.038 51.997 52.037 -0.003 0.000 0.900 114 A CB 0.074 19.073 19.000 -0.001 0.000 0.942 114 A HN 0.216 nan 8.150 nan 0.000 0.507 115 M N 1.497 121.090 119.600 -0.010 0.000 2.080 115 M HA -0.027 4.452 4.480 -0.002 0.000 0.260 115 M C -1.186 175.101 176.300 -0.022 0.000 1.068 115 M CA 2.076 57.366 55.300 -0.018 0.000 1.109 115 M CB -0.661 31.927 32.600 -0.019 0.000 1.342 115 M HN 0.211 nan 8.290 nan 0.000 0.405 116 P HA 0.060 nan 4.420 nan 0.000 0.249 116 P C 0.934 178.224 177.300 -0.016 0.000 1.229 116 P CA 0.804 63.892 63.100 -0.020 0.000 0.788 116 P CB -0.042 31.649 31.700 -0.016 0.000 1.072 117 L N -1.213 120.003 121.223 -0.011 0.000 2.509 117 L HA 0.124 4.463 4.340 -0.002 0.000 0.222 117 L C 1.215 178.084 176.870 -0.001 0.000 1.123 117 L CA 0.460 55.298 54.840 -0.003 0.000 0.856 117 L CB -0.562 41.498 42.059 0.001 0.000 0.985 117 L HN -0.117 nan 8.230 nan 0.000 0.456 118 L N 0.772 121.988 121.223 -0.012 0.000 2.349 118 L HA 0.275 4.614 4.340 -0.002 0.000 0.275 118 L C -1.954 174.889 176.870 -0.045 0.000 1.115 118 L CA -2.054 52.775 54.840 -0.018 0.000 0.820 118 L CB 0.143 42.183 42.059 -0.033 0.000 1.135 118 L HN -0.171 nan 8.230 nan 0.000 0.445 119 P HA -0.066 nan 4.420 nan 0.000 0.266 119 P C 0.097 177.294 177.300 -0.171 0.000 1.193 119 P CA -0.138 62.912 63.100 -0.084 0.000 0.770 119 P CB 0.420 32.082 31.700 -0.064 0.000 0.836 120 Q N 1.221 120.945 119.800 -0.126 0.000 2.297 120 Q HA -0.243 4.096 4.340 -0.002 0.000 0.208 120 Q C 0.922 176.801 176.000 -0.201 0.000 0.981 120 Q CA 1.677 57.400 55.803 -0.133 0.000 0.876 120 Q CB -0.491 28.198 28.738 -0.081 0.000 0.921 120 Q HN 0.385 nan 8.270 nan 0.000 0.446 121 E N 0.648 120.673 120.200 -0.292 0.000 2.107 121 E HA -0.092 4.257 4.350 -0.002 0.000 0.191 121 E C 1.878 178.214 176.600 -0.440 0.000 0.982 121 E CA 1.121 57.301 56.400 -0.368 0.000 0.809 121 E CB -0.020 29.401 29.700 -0.466 0.000 0.756 121 E HN 0.255 nan 8.360 nan 0.000 0.459 122 V N 0.147 119.744 119.914 -0.529 0.000 2.878 122 V HA -0.159 3.960 4.120 -0.002 0.000 0.250 122 V C 1.643 177.610 176.094 -0.212 0.000 1.075 122 V CA 1.281 63.370 62.300 -0.351 0.000 1.096 122 V CB -0.023 31.616 31.823 -0.307 0.000 0.724 122 V HN 0.227 nan 8.190 nan 0.000 0.467 123 Q N -0.450 119.228 119.800 -0.202 0.000 2.020 123 Q HA -0.252 4.087 4.340 -0.002 0.000 0.202 123 Q C 2.194 178.092 176.000 -0.171 0.000 0.982 123 Q CA 2.121 57.834 55.803 -0.149 0.000 0.838 123 Q CB -0.194 28.469 28.738 -0.125 0.000 0.899 123 Q HN 0.683 nan 8.270 nan 0.000 0.423 124 Q N 0.233 119.890 119.800 -0.240 0.000 2.364 124 Q HA -0.149 4.190 4.340 -0.002 0.000 0.207 124 Q C 0.956 176.708 176.000 -0.413 0.000 0.970 124 Q CA 0.580 56.179 55.803 -0.340 0.000 0.888 124 Q CB 0.107 28.567 28.738 -0.463 0.000 0.951 124 Q HN 0.175 nan 8.270 nan 0.000 0.469 125 Q N -0.339 119.280 119.800 -0.302 0.000 2.294 125 Q HA 0.146 4.485 4.340 -0.002 0.000 0.256 125 Q C 0.327 176.275 176.000 -0.086 0.000 0.907 125 Q CA 0.526 56.219 55.803 -0.184 0.000 0.954 125 Q CB -0.110 28.566 28.738 -0.103 0.000 1.102 125 Q HN 0.403 nan 8.270 nan 0.000 0.429 126 G N -0.532 108.211 108.800 -0.094 0.000 3.597 126 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.256 126 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.256 126 G C -0.050 174.825 174.900 -0.041 0.000 1.792 126 G CA 0.067 45.140 45.100 -0.045 0.000 1.219 126 G HN 1.548 nan 8.290 nan 0.000 0.577 127 V N -2.351 117.547 119.914 -0.027 0.000 3.550 127 V HA 0.352 4.471 4.120 -0.002 0.000 0.505 127 V C -0.394 175.694 176.094 -0.009 0.000 0.682 127 V CA 0.910 63.200 62.300 -0.017 0.000 2.053 127 V CB -1.379 30.429 31.823 -0.025 0.000 2.480 127 V HN 2.897 nan 8.190 nan 0.000 0.509 128 S N 3.780 119.480 115.700 0.000 0.000 2.537 128 S HA 0.911 5.380 4.470 -0.002 0.000 0.270 128 S C -0.926 173.681 174.600 0.011 0.000 1.142 128 S CA -0.322 57.881 58.200 0.005 0.000 0.870 128 S CB 2.209 65.413 63.200 0.007 0.000 1.112 128 S HN 2.127 nan 8.310 nan 0.000 0.466 129 V N 3.046 122.967 119.914 0.013 0.000 2.483 129 V HA 0.762 4.881 4.120 -0.002 0.000 0.297 129 V C -0.573 175.534 176.094 0.020 0.000 1.027 129 V CA -0.325 61.987 62.300 0.021 0.000 0.855 129 V CB 1.205 33.042 31.823 0.023 0.000 0.995 129 V HN 1.049 nan 8.190 nan 0.000 0.424 130 E N 4.035 124.251 120.200 0.026 0.000 2.433 130 E HA 0.511 4.860 4.350 -0.002 0.000 0.278 130 E C -1.444 175.174 176.600 0.031 0.000 0.976 130 E CA -1.145 55.269 56.400 0.023 0.000 0.793 130 E CB 2.334 32.045 29.700 0.018 0.000 1.311 130 E HN 0.428 nan 8.360 nan 0.000 0.460 131 K N 0.652 121.068 120.400 0.026 0.000 2.237 131 K HA 0.447 4.766 4.320 -0.002 0.000 0.270 131 K C -0.340 176.277 176.600 0.028 0.000 1.015 131 K CA -0.236 56.070 56.287 0.031 0.000 0.949 131 K CB 1.061 33.574 32.500 0.021 0.000 0.976 131 K HN 0.426 nan 8.250 nan 0.000 0.472 132 S N 0.094 115.815 115.700 0.035 0.000 2.634 132 S HA 0.336 4.805 4.470 -0.002 0.000 0.296 132 S C -0.036 174.576 174.600 0.020 0.000 1.104 132 S CA -0.786 57.428 58.200 0.024 0.000 0.920 132 S CB 1.932 65.153 63.200 0.034 0.000 1.111 132 S HN 0.559 nan 8.310 nan 0.000 0.493 133 S N 0.368 116.069 115.700 0.001 0.000 2.684 133 S HA 0.117 4.586 4.470 -0.002 0.000 0.268 133 S C 0.860 175.452 174.600 -0.013 0.000 1.075 133 S CA 0.324 58.524 58.200 -0.001 0.000 1.184 133 S CB 0.423 63.623 63.200 -0.001 0.000 1.129 133 S HN 1.298 nan 8.310 nan 0.000 0.630 134 S N 0.597 116.287 115.700 -0.017 0.000 3.017 134 S HA -0.191 4.278 4.470 -0.002 0.000 0.283 134 S C 0.074 174.658 174.600 -0.027 0.000 1.304 134 S CA 1.153 59.357 58.200 0.006 0.000 1.224 134 S CB -2.041 61.167 63.200 0.013 0.000 1.480 134 S HN 0.413 nan 8.310 nan 0.000 0.698 135 S N 0.315 115.974 115.700 -0.069 0.000 2.540 135 S HA 0.721 5.190 4.470 -0.002 0.000 0.275 135 S C -0.579 173.960 174.600 -0.102 0.000 1.123 135 S CA -0.844 57.340 58.200 -0.028 0.000 0.907 135 S CB 0.942 64.171 63.200 0.047 0.000 1.081 135 S HN 0.331 nan 8.310 nan 0.000 0.476 136 F N 1.926 121.891 119.950 0.025 0.000 2.443 136 F HA 0.306 4.832 4.527 -0.002 0.000 0.353 136 F C 1.433 177.134 175.800 -0.165 0.000 1.101 136 F CA -0.263 57.638 58.000 -0.166 0.000 1.226 136 F CB 0.488 39.196 39.000 -0.487 0.000 1.140 136 F HN 0.529 nan 8.300 nan 0.000 0.557 137 L N 2.476 123.755 121.223 0.094 0.000 2.084 137 L HA 0.217 4.556 4.340 -0.002 0.000 0.202 137 L C 0.250 177.192 176.870 0.121 0.000 1.074 137 L CA 0.923 55.838 54.840 0.125 0.000 0.757 137 L CB 0.134 42.260 42.059 0.112 0.000 0.918 137 L HN 0.659 nan 8.230 nan 0.000 0.444 138 M N -0.505 119.118 119.600 0.039 0.000 2.371 138 M HA 0.386 4.865 4.480 -0.002 0.000 0.287 138 M C -1.949 174.297 176.300 -0.089 0.000 1.149 138 M CA -0.544 54.783 55.300 0.045 0.000 0.929 138 M CB 2.222 34.886 32.600 0.107 0.000 1.683 138 M HN -0.278 nan 8.290 nan 0.000 0.470 139 V N 4.654 124.473 119.914 -0.160 0.000 2.448 139 V HA 0.575 4.694 4.120 -0.002 0.000 0.295 139 V C -0.653 175.295 176.094 -0.242 0.000 1.025 139 V CA -0.760 61.361 62.300 -0.298 0.000 0.859 139 V CB 1.667 33.113 31.823 -0.628 0.000 0.988 139 V HN 0.652 nan 8.190 nan 0.000 0.431 140 V N 1.716 121.492 119.914 -0.230 0.000 2.284 140 V HA 0.810 4.929 4.120 -0.002 0.000 0.274 140 V C 0.611 176.524 176.094 -0.302 0.000 1.023 140 V CA -0.497 61.628 62.300 -0.292 0.000 0.808 140 V CB 0.828 32.527 31.823 -0.206 0.000 1.035 140 V HN 0.836 nan 8.190 nan 0.000 0.445 141 G N 2.898 111.440 108.800 -0.429 0.000 2.467 141 G HA2 0.513 4.472 3.960 -0.002 0.000 0.257 141 G HA3 0.513 4.472 3.960 -0.002 0.000 0.257 141 G C -0.567 174.179 174.900 -0.257 0.000 1.227 141 G CA -0.422 44.506 45.100 -0.286 0.000 0.835 141 G HN 0.891 nan 8.290 nan 0.000 0.556 142 V N 4.803 124.641 119.914 -0.126 0.000 2.349 142 V HA 0.333 4.452 4.120 -0.002 0.000 0.284 142 V C 0.230 176.244 176.094 -0.135 0.000 1.014 142 V CA -0.797 61.416 62.300 -0.145 0.000 0.826 142 V CB 0.822 32.580 31.823 -0.109 0.000 1.009 142 V HN 0.759 nan 8.190 nan 0.000 0.431 143 I N 2.085 122.554 120.570 -0.169 0.000 2.822 143 I HA 0.657 4.825 4.170 -0.002 0.000 0.312 143 I C -0.826 175.230 176.117 -0.101 0.000 1.011 143 I CA -0.507 60.727 61.300 -0.110 0.000 1.105 143 I CB 2.219 40.169 38.000 -0.084 0.000 1.291 143 I HN 0.529 nan 8.210 nan 0.000 0.474 144 N N 2.302 120.962 118.700 -0.068 0.000 2.342 144 N HA 0.444 5.183 4.740 -0.002 0.000 0.293 144 N C -0.980 174.510 175.510 -0.034 0.000 1.026 144 N CA -0.100 52.908 53.050 -0.070 0.000 0.857 144 N CB 1.698 40.138 38.487 -0.078 0.000 1.256 144 N HN 0.780 nan 8.380 nan 0.000 0.484 145 T N -0.281 114.255 114.554 -0.031 0.000 3.732 145 T HA 0.327 4.676 4.350 -0.002 0.000 0.234 145 T C -0.290 174.403 174.700 -0.012 0.000 1.146 145 T CA -0.625 61.468 62.100 -0.011 0.000 1.454 145 T CB 0.524 69.394 68.868 0.003 0.000 0.910 145 T HN 0.438 nan 8.240 nan 0.000 0.640 146 D N 1.115 121.504 120.400 -0.019 0.000 3.840 146 D HA 0.208 4.847 4.640 -0.002 0.000 0.136 146 D C 0.518 176.808 176.300 -0.017 0.000 1.644 146 D CA 0.045 54.035 54.000 -0.016 0.000 1.224 146 D CB -0.009 40.779 40.800 -0.019 0.000 2.376 146 D HN 0.362 nan 8.370 nan 0.000 0.385 147 G N 1.666 110.453 108.800 -0.022 0.000 2.916 147 G HA2 0.342 4.301 3.960 -0.002 0.000 0.280 147 G HA3 0.342 4.301 3.960 -0.002 0.000 0.280 147 G C -0.032 174.852 174.900 -0.027 0.000 0.758 147 G CA 0.306 45.395 45.100 -0.019 0.000 1.993 147 G HN 0.211 nan 8.290 nan 0.000 0.564 148 T N 3.589 118.131 114.554 -0.021 0.000 2.800 148 T HA -0.009 4.340 4.350 -0.002 0.000 0.283 148 T C 1.419 176.107 174.700 -0.020 0.000 0.999 148 T CA 0.387 62.474 62.100 -0.022 0.000 1.176 148 T CB 0.705 69.566 68.868 -0.011 0.000 0.973 148 T HN 0.355 nan 8.240 nan 0.000 0.519 149 M N 1.943 121.523 119.600 -0.033 0.000 2.288 149 M HA 0.271 4.750 4.480 -0.002 0.000 0.209 149 M C 0.534 176.836 176.300 0.004 0.000 0.987 149 M CA 0.147 55.435 55.300 -0.019 0.000 1.835 149 M CB 0.087 32.656 32.600 -0.052 0.000 1.092 149 M HN 0.520 nan 8.290 nan 0.000 0.887 150 T N -1.097 113.464 114.554 0.011 0.000 2.840 150 T HA 0.110 4.459 4.350 -0.002 0.000 0.317 150 T C 0.294 175.009 174.700 0.024 0.000 1.401 150 T CA -0.760 61.359 62.100 0.032 0.000 1.028 150 T CB 1.998 70.910 68.868 0.073 0.000 1.317 150 T HN 0.344 nan 8.240 nan 0.000 0.495 151 Q N 0.769 120.589 119.800 0.033 0.000 2.096 151 Q HA -0.199 4.140 4.340 -0.002 0.000 0.208 151 Q C 1.897 177.916 176.000 0.033 0.000 0.993 151 Q CA 1.927 57.749 55.803 0.031 0.000 0.862 151 Q CB -0.021 28.747 28.738 0.049 0.000 0.915 151 Q HN 0.642 nan 8.270 nan 0.000 0.416 152 E N 0.147 120.400 120.200 0.089 0.000 2.106 152 E HA -0.146 4.203 4.350 -0.002 0.000 0.192 152 E C 1.614 178.142 176.600 -0.121 0.000 0.984 152 E CA 0.794 57.259 56.400 0.109 0.000 0.806 152 E CB -0.185 29.735 29.700 0.366 0.000 0.750 152 E HN 0.338 nan 8.360 nan 0.000 0.458 153 D N 0.897 121.286 120.400 -0.019 0.000 2.137 153 D HA -0.016 4.623 4.640 -0.002 0.000 0.202 153 D C 2.106 178.321 176.300 -0.142 0.000 0.970 153 D CA 0.468 54.419 54.000 -0.080 0.000 0.837 153 D CB 0.076 40.917 40.800 0.069 0.000 0.981 153 D HN 0.139 nan 8.370 nan 0.000 0.475 154 I N 0.247 120.765 120.570 -0.088 0.000 2.233 154 I HA -0.179 3.989 4.170 -0.002 0.000 0.243 154 I C 2.401 178.488 176.117 -0.050 0.000 1.093 154 I CA 0.564 61.823 61.300 -0.069 0.000 1.380 154 I CB -0.167 37.796 38.000 -0.063 0.000 1.067 154 I HN -0.139 nan 8.210 nan 0.000 0.413 155 S N 0.285 115.942 115.700 -0.071 0.000 2.399 155 S HA -0.233 4.236 4.470 -0.002 0.000 0.231 155 S C 1.613 176.146 174.600 -0.112 0.000 1.022 155 S CA 1.785 59.951 58.200 -0.057 0.000 0.983 155 S CB -0.384 62.793 63.200 -0.039 0.000 0.803 155 S HN 0.532 nan 8.310 nan 0.000 0.480 156 D N 0.139 120.390 120.400 -0.248 0.000 2.103 156 D HA -0.136 4.503 4.640 -0.002 0.000 0.199 156 D C 1.772 177.994 176.300 -0.130 0.000 0.978 156 D CA 0.901 54.721 54.000 -0.300 0.000 0.829 156 D CB -0.258 40.068 40.800 -0.790 0.000 0.981 156 D HN 0.426 nan 8.370 nan 0.000 0.464 157 Y N 0.170 120.354 120.300 -0.194 0.000 2.242 157 Y HA -0.092 4.457 4.550 -0.002 0.000 0.291 157 Y C 2.149 178.002 175.900 -0.078 0.000 1.137 157 Y CA 1.190 59.222 58.100 -0.114 0.000 1.181 157 Y CB -0.347 38.036 38.460 -0.128 0.000 0.989 157 Y HN -0.047 nan 8.280 nan 0.000 0.527 158 V N 0.004 119.948 119.914 0.050 0.000 2.867 158 V HA -0.222 3.896 4.120 -0.002 0.000 0.260 158 V C 2.003 178.078 176.094 -0.033 0.000 1.099 158 V CA 1.769 64.081 62.300 0.020 0.000 1.122 158 V CB -0.702 31.144 31.823 0.039 0.000 0.708 158 V HN 0.571 nan 8.190 nan 0.000 0.490 159 A N -0.857 121.923 122.820 -0.066 0.000 1.973 159 A HA 0.490 4.809 4.320 -0.002 0.000 0.210 159 A C 1.971 179.498 177.584 -0.094 0.000 1.200 159 A CA 0.833 52.833 52.037 -0.062 0.000 0.707 159 A CB -0.242 18.730 19.000 -0.047 0.000 0.862 159 A HN 0.674 nan 8.150 nan 0.000 0.461 160 A N -0.922 121.811 122.820 -0.145 0.000 2.462 160 A HA 0.409 4.727 4.320 -0.002 0.000 0.261 160 A C 0.786 178.220 177.584 -0.252 0.000 1.323 160 A CA 0.695 52.637 52.037 -0.159 0.000 0.913 160 A CB -0.679 18.249 19.000 -0.120 0.000 1.028 160 A HN 0.583 nan 8.150 nan 0.000 0.511 161 N N -2.037 116.490 118.700 -0.287 0.000 1.963 161 N HA 0.126 4.865 4.740 -0.002 0.000 0.244 161 N C 1.293 176.734 175.510 -0.116 0.000 1.288 161 N CA 0.687 53.553 53.050 -0.306 0.000 0.800 161 N CB 0.260 38.299 38.487 -0.745 0.000 1.293 161 N HN 0.356 nan 8.380 nan 0.000 0.483 162 M N -1.098 118.462 119.600 -0.067 0.000 2.504 162 M HA 0.312 4.791 4.480 -0.002 0.000 0.222 162 M C 1.701 178.005 176.300 0.006 0.000 1.566 162 M CA -0.008 55.303 55.300 0.019 0.000 1.099 162 M CB -0.075 32.594 32.600 0.115 0.000 1.428 162 M HN -0.171 nan 8.290 nan 0.000 0.556 163 K N 1.807 122.203 120.400 -0.006 0.000 2.089 163 K HA -0.248 4.071 4.320 -0.002 0.000 0.210 163 K C 1.553 178.150 176.600 -0.005 0.000 1.048 163 K CA 2.611 58.898 56.287 -0.001 0.000 0.926 163 K CB -0.279 32.216 32.500 -0.008 0.000 0.714 163 K HN 0.559 nan 8.250 nan 0.000 0.448 164 D N 0.149 120.537 120.400 -0.019 0.000 2.178 164 D HA -0.171 4.468 4.640 -0.002 0.000 0.201 164 D C 1.645 177.938 176.300 -0.012 0.000 0.980 164 D CA 1.389 55.378 54.000 -0.018 0.000 0.842 164 D CB -0.285 40.496 40.800 -0.031 0.000 0.948 164 D HN 0.307 nan 8.370 nan 0.000 0.472 165 A N 0.274 123.088 122.820 -0.010 0.000 1.929 165 A HA 0.104 4.423 4.320 -0.002 0.000 0.216 165 A C 1.484 179.071 177.584 0.006 0.000 1.176 165 A CA 0.439 52.474 52.037 -0.003 0.000 0.628 165 A CB -0.413 18.587 19.000 -0.000 0.000 0.816 165 A HN 0.223 nan 8.150 nan 0.000 0.444 166 I N -2.417 118.160 120.570 0.012 0.000 3.468 166 I HA 0.338 4.507 4.170 -0.002 0.000 0.299 166 I C 1.787 177.913 176.117 0.014 0.000 1.141 166 I CA 0.823 62.134 61.300 0.018 0.000 0.950 166 I CB 0.646 38.662 38.000 0.027 0.000 1.522 166 I HN 0.239 nan 8.210 nan 0.000 0.699 167 S N -0.507 115.204 115.700 0.019 0.000 2.675 167 S HA -0.278 4.191 4.470 -0.002 0.000 0.258 167 S C 1.445 176.052 174.600 0.012 0.000 1.282 167 S CA 1.975 60.185 58.200 0.017 0.000 1.471 167 S CB -0.749 62.459 63.200 0.014 0.000 1.848 167 S HN 0.800 nan 8.310 nan 0.000 0.655 168 R N -0.338 120.168 120.500 0.010 0.000 2.521 168 R HA 0.195 4.534 4.340 -0.002 0.000 0.289 168 R C 1.355 177.660 176.300 0.008 0.000 0.936 168 R CA 0.761 56.865 56.100 0.007 0.000 1.089 168 R CB 0.280 30.581 30.300 0.002 0.000 1.348 168 R HN 0.470 nan 8.270 nan 0.000 0.536 169 T N -0.756 113.806 114.554 0.012 0.000 5.323 169 T HA 0.093 4.442 4.350 -0.002 0.000 0.341 169 T C 0.288 174.997 174.700 0.016 0.000 0.998 169 T CA 0.157 62.265 62.100 0.014 0.000 1.043 169 T CB 0.325 69.203 68.868 0.017 0.000 1.660 169 T HN 0.040 nan 8.240 nan 0.000 0.395 170 S N 0.902 116.614 115.700 0.020 0.000 3.517 170 S HA 0.428 4.897 4.470 -0.002 0.000 0.284 170 S C 0.745 175.359 174.600 0.024 0.000 1.260 170 S CA 0.302 58.514 58.200 0.021 0.000 0.975 170 S CB -0.681 62.532 63.200 0.023 0.000 1.540 170 S HN 1.123 nan 8.310 nan 0.000 0.506 171 G N 2.084 110.897 108.800 0.021 0.000 2.350 171 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.298 171 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.298 171 G C -0.064 174.851 174.900 0.026 0.000 1.037 171 G CA -0.235 44.878 45.100 0.022 0.000 1.074 171 G HN 0.604 nan 8.290 nan 0.000 0.511 172 V N 0.460 120.389 119.914 0.024 0.000 2.432 172 V HA 0.602 4.721 4.120 -0.002 0.000 0.275 172 V C 1.822 177.929 176.094 0.021 0.000 1.043 172 V CA 0.398 62.714 62.300 0.027 0.000 0.925 172 V CB 1.098 32.938 31.823 0.028 0.000 0.985 172 V HN 0.570 nan 8.190 nan 0.000 0.466 173 G N 3.723 112.535 108.800 0.020 0.000 2.505 173 G HA2 -0.025 3.934 3.960 -0.002 0.000 0.214 173 G HA3 -0.025 3.934 3.960 -0.002 0.000 0.214 173 G C 0.205 175.114 174.900 0.015 0.000 1.237 173 G CA 1.005 46.114 45.100 0.015 0.000 0.802 173 G HN 0.826 nan 8.290 nan 0.000 0.549 174 D N -1.351 119.057 120.400 0.014 0.000 2.836 174 D HA 0.290 4.928 4.640 -0.002 0.000 0.215 174 D C -1.350 174.970 176.300 0.032 0.000 1.255 174 D CA -0.579 53.433 54.000 0.019 0.000 0.822 174 D CB 1.710 42.520 40.800 0.017 0.000 1.656 174 D HN 0.058 nan 8.370 nan 0.000 0.511 175 V N 1.436 121.372 119.914 0.036 0.000 2.407 175 V HA 0.218 4.336 4.120 -0.002 0.000 0.278 175 V C 0.278 176.393 176.094 0.034 0.000 1.037 175 V CA -0.487 61.841 62.300 0.047 0.000 0.900 175 V CB 1.391 33.232 31.823 0.030 0.000 0.983 175 V HN 0.469 nan 8.190 nan 0.000 0.459 176 Q N 4.807 124.636 119.800 0.049 0.000 2.421 176 Q HA 0.300 4.639 4.340 -0.002 0.000 0.242 176 Q C -0.554 175.268 176.000 -0.297 0.000 1.024 176 Q CA -0.427 55.349 55.803 -0.044 0.000 0.891 176 Q CB 1.547 30.350 28.738 0.109 0.000 1.222 176 Q HN 0.699 nan 8.270 nan 0.000 0.483 177 L N 3.133 124.252 121.223 -0.172 0.000 2.410 177 L HA 0.240 4.579 4.340 -0.002 0.000 0.273 177 L C -0.863 175.902 176.870 -0.175 0.000 1.144 177 L CA 0.269 55.028 54.840 -0.136 0.000 0.863 177 L CB -0.086 41.955 42.059 -0.031 0.000 1.140 177 L HN 0.471 nan 8.230 nan 0.000 0.463 178 F N 6.078 126.070 119.950 0.070 0.000 2.661 178 F HA 0.474 5.000 4.527 -0.002 0.000 0.356 178 F C 1.249 177.073 175.800 0.040 0.000 1.244 178 F CA 0.822 58.865 58.000 0.071 0.000 1.290 178 F CB 0.074 39.146 39.000 0.120 0.000 1.677 178 F HN 0.860 nan 8.300 nan 0.000 0.649 179 G N -0.360 108.520 108.800 0.134 0.000 2.553 179 G HA2 0.329 4.288 3.960 -0.002 0.000 0.106 179 G HA3 0.329 4.288 3.960 -0.002 0.000 0.106 179 G C -1.190 173.717 174.900 0.010 0.000 1.126 179 G CA -0.487 44.654 45.100 0.069 0.000 1.075 179 G HN 0.257 nan 8.290 nan 0.000 0.472 180 S N -0.519 115.164 115.700 -0.029 0.000 2.556 180 S HA 0.512 4.981 4.470 -0.002 0.000 0.280 180 S C -0.722 173.837 174.600 -0.068 0.000 1.141 180 S CA 0.103 58.273 58.200 -0.050 0.000 0.883 180 S CB 1.435 64.577 63.200 -0.097 0.000 1.103 180 S HN 1.068 nan 8.310 nan 0.000 0.453 181 Q N 2.479 122.256 119.800 -0.039 0.000 2.354 181 Q HA 0.443 4.782 4.340 -0.002 0.000 0.244 181 Q C -0.916 175.115 176.000 0.052 0.000 0.969 181 Q CA -0.246 55.531 55.803 -0.043 0.000 0.885 181 Q CB 0.257 28.986 28.738 -0.014 0.000 1.241 181 Q HN 0.576 nan 8.270 nan 0.000 0.461 182 Y N 0.452 120.774 120.300 0.036 0.000 2.683 182 Y HA 0.309 4.858 4.550 -0.002 0.000 0.340 182 Y C 0.304 176.266 175.900 0.104 0.000 1.245 182 Y CA 0.231 58.370 58.100 0.065 0.000 1.485 182 Y CB 0.657 39.173 38.460 0.093 0.000 1.328 182 Y HN 0.810 nan 8.280 nan 0.000 0.603 183 A N 2.946 125.945 122.820 0.299 0.000 2.556 183 A HA 0.605 4.924 4.320 -0.002 0.000 0.294 183 A C -0.983 176.611 177.584 0.016 0.000 1.091 183 A CA -1.040 51.140 52.037 0.237 0.000 0.704 183 A CB 1.231 20.372 19.000 0.236 0.000 1.300 183 A HN 0.648 nan 8.150 nan 0.000 0.406 184 M N 2.663 122.124 119.600 -0.231 0.000 2.821 184 M HA 0.224 4.703 4.480 -0.002 0.000 0.305 184 M C -0.115 175.864 176.300 -0.535 0.000 1.466 184 M CA 0.055 54.921 55.300 -0.723 0.000 1.526 184 M CB -0.496 31.092 32.600 -1.687 0.000 1.321 184 M HN 0.456 nan 8.290 nan 0.000 0.492 185 R N 5.248 125.500 120.500 -0.413 0.000 2.248 185 R HA 0.358 4.697 4.340 -0.002 0.000 0.328 185 R C -0.762 175.093 176.300 -0.741 0.000 1.067 185 R CA -0.040 55.713 56.100 -0.577 0.000 0.924 185 R CB -0.430 29.575 30.300 -0.492 0.000 1.013 185 R HN 0.675 nan 8.270 nan 0.000 0.454 186 I N 3.480 123.630 120.570 -0.701 0.000 2.330 186 I HA 0.234 4.403 4.170 -0.002 0.000 0.286 186 I C -0.355 175.518 176.117 -0.408 0.000 1.025 186 I CA -0.542 60.495 61.300 -0.439 0.000 1.197 186 I CB 0.719 38.591 38.000 -0.213 0.000 1.358 186 I HN 0.366 nan 8.210 nan 0.000 0.467 187 W N 7.295 128.617 121.300 0.037 0.000 2.316 187 W HA 0.496 5.155 4.660 -0.002 0.000 0.339 187 W C 0.209 176.774 176.519 0.077 0.000 1.002 187 W CA -0.760 56.620 57.345 0.058 0.000 1.465 187 W CB 0.273 29.756 29.460 0.040 0.000 1.300 187 W HN 0.310 nan 8.180 nan 0.000 0.378 188 M N 2.696 122.461 119.600 0.276 0.000 2.219 188 M HA 0.038 4.517 4.480 -0.002 0.000 0.307 188 M C 0.511 176.906 176.300 0.158 0.000 1.116 188 M CA 0.647 56.077 55.300 0.217 0.000 1.181 188 M CB 0.318 33.071 32.600 0.255 0.000 1.410 188 M HN 0.303 nan 8.290 nan 0.000 0.454 189 N N 0.839 119.544 118.700 0.007 0.000 2.461 189 N HA 0.326 5.065 4.740 -0.002 0.000 0.284 189 N C -2.440 172.821 175.510 -0.416 0.000 1.049 189 N CA -1.690 51.169 53.050 -0.319 0.000 0.889 189 N CB 2.057 40.427 38.487 -0.194 0.000 1.365 189 N HN 0.148 nan 8.380 nan 0.000 0.499 190 P HA -0.024 nan 4.420 nan 0.000 0.216 190 P C 0.808 177.885 177.300 -0.371 0.000 1.153 190 P CA 1.100 63.770 63.100 -0.717 0.000 0.848 190 P CB 0.544 31.400 31.700 -1.407 0.000 0.787 191 N N -0.286 118.152 118.700 -0.436 0.000 2.142 191 N HA -0.149 4.590 4.740 -0.002 0.000 0.186 191 N C 1.746 177.095 175.510 -0.270 0.000 1.023 191 N CA 1.111 53.992 53.050 -0.281 0.000 0.852 191 N CB -0.728 37.619 38.487 -0.234 0.000 0.998 191 N HN 0.172 nan 8.380 nan 0.000 0.424 192 E N 0.628 120.681 120.200 -0.245 0.000 2.208 192 E HA 0.085 4.434 4.350 -0.002 0.000 0.193 192 E C 1.955 178.474 176.600 -0.135 0.000 0.988 192 E CA 0.283 56.558 56.400 -0.207 0.000 0.828 192 E CB -0.061 29.602 29.700 -0.061 0.000 0.763 192 E HN 0.272 nan 8.360 nan 0.000 0.478 193 L N 0.404 121.588 121.223 -0.065 0.000 2.044 193 L HA -0.095 4.244 4.340 -0.002 0.000 0.205 193 L C 2.433 179.296 176.870 -0.011 0.000 1.075 193 L CA 1.324 56.191 54.840 0.045 0.000 0.747 193 L CB -0.446 41.688 42.059 0.125 0.000 0.903 193 L HN 0.265 nan 8.230 nan 0.000 0.435 194 N N 0.308 118.949 118.700 -0.099 0.000 2.223 194 N HA -0.254 4.485 4.740 -0.002 0.000 0.185 194 N C 1.953 177.295 175.510 -0.279 0.000 1.016 194 N CA 0.971 53.896 53.050 -0.208 0.000 0.863 194 N CB 0.135 38.389 38.487 -0.387 0.000 0.983 194 N HN 0.251 nan 8.380 nan 0.000 0.429 195 K N -0.000 120.171 120.400 -0.382 0.000 2.057 195 K HA -0.117 4.202 4.320 -0.002 0.000 0.207 195 K C 0.536 176.830 176.600 -0.511 0.000 1.049 195 K CA 1.312 57.260 56.287 -0.566 0.000 0.931 195 K CB -0.068 31.883 32.500 -0.916 0.000 0.714 195 K HN 0.199 nan 8.250 nan 0.000 0.440 196 F N 0.977 120.904 119.950 -0.038 0.000 2.668 196 F HA 0.205 4.731 4.527 -0.002 0.000 0.297 196 F C -0.380 175.414 175.800 -0.010 0.000 1.124 196 F CA -0.850 57.138 58.000 -0.020 0.000 1.353 196 F CB 0.480 39.474 39.000 -0.010 0.000 0.992 196 F HN -0.028 nan 8.300 nan 0.000 0.524 197 Q N 1.442 121.287 119.800 0.074 0.000 2.447 197 Q HA -0.152 4.187 4.340 -0.002 0.000 0.348 197 Q C -1.311 174.751 176.000 0.103 0.000 1.421 197 Q CA 0.682 56.524 55.803 0.064 0.000 0.978 197 Q CB -1.485 27.287 28.738 0.055 0.000 1.191 197 Q HN 0.534 nan 8.270 nan 0.000 0.371 198 L N -0.670 120.626 121.223 0.121 0.000 2.408 198 L HA 0.714 5.053 4.340 -0.002 0.000 0.268 198 L C 0.292 177.262 176.870 0.166 0.000 0.986 198 L CA -0.841 54.081 54.840 0.138 0.000 0.820 198 L CB 2.291 44.442 42.059 0.154 0.000 1.303 198 L HN 0.146 nan 8.230 nan 0.000 0.411 199 T N 1.278 115.928 114.554 0.161 0.000 2.929 199 T HA 0.404 4.753 4.350 -0.002 0.000 0.284 199 T C -1.786 173.016 174.700 0.170 0.000 1.014 199 T CA -2.095 60.122 62.100 0.195 0.000 1.051 199 T CB 1.552 70.522 68.868 0.169 0.000 1.028 199 T HN 0.353 nan 8.240 nan 0.000 0.485 200 P HA -0.128 nan 4.420 nan 0.000 0.219 200 P C 1.594 178.952 177.300 0.096 0.000 1.145 200 P CA 0.844 64.025 63.100 0.135 0.000 0.813 200 P CB -0.165 31.593 31.700 0.097 0.000 0.771 201 V N 0.821 120.792 119.914 0.094 0.000 2.358 201 V HA -0.202 3.917 4.120 -0.002 0.000 0.246 201 V C 2.165 178.296 176.094 0.062 0.000 1.047 201 V CA 2.148 64.491 62.300 0.070 0.000 1.035 201 V CB -1.255 30.607 31.823 0.064 0.000 0.658 201 V HN 0.095 nan 8.190 nan 0.000 0.452 202 D N 0.223 120.666 120.400 0.071 0.000 2.178 202 D HA -0.117 4.522 4.640 -0.002 0.000 0.201 202 D C 2.194 178.527 176.300 0.054 0.000 0.980 202 D CA 1.127 55.163 54.000 0.060 0.000 0.842 202 D CB -0.241 40.601 40.800 0.070 0.000 0.948 202 D HN 0.342 nan 8.370 nan 0.000 0.472 203 V N 1.277 121.232 119.914 0.068 0.000 2.261 203 V HA -0.226 3.893 4.120 -0.002 0.000 0.246 203 V C 2.563 178.682 176.094 0.042 0.000 1.047 203 V CA 1.187 63.522 62.300 0.059 0.000 1.015 203 V CB -0.382 31.487 31.823 0.075 0.000 0.642 203 V HN 0.145 nan 8.190 nan 0.000 0.446 204 I N 0.086 120.682 120.570 0.043 0.000 2.127 204 I HA -0.268 3.901 4.170 -0.002 0.000 0.241 204 I C 2.571 178.702 176.117 0.024 0.000 1.075 204 I CA 2.088 63.407 61.300 0.032 0.000 1.334 204 I CB -0.808 37.214 38.000 0.038 0.000 1.040 204 I HN 0.325 nan 8.210 nan 0.000 0.405 205 T N 0.791 115.360 114.554 0.026 0.000 2.759 205 T HA -0.204 4.145 4.350 -0.002 0.000 0.269 205 T C 1.967 176.671 174.700 0.006 0.000 1.042 205 T CA 1.488 63.599 62.100 0.017 0.000 1.140 205 T CB -0.395 68.484 68.868 0.020 0.000 0.864 205 T HN 0.506 nan 8.240 nan 0.000 0.455 206 A N 0.542 123.366 122.820 0.006 0.000 2.067 206 A HA 0.084 4.403 4.320 -0.002 0.000 0.219 206 A C 2.195 179.764 177.584 -0.026 0.000 1.158 206 A CA 0.811 52.843 52.037 -0.009 0.000 0.661 206 A CB -0.628 18.369 19.000 -0.005 0.000 0.801 206 A HN 0.540 nan 8.150 nan 0.000 0.452 207 I N 0.434 120.997 120.570 -0.012 0.000 2.141 207 I HA -0.211 3.958 4.170 -0.002 0.000 0.236 207 I C 2.413 178.511 176.117 -0.033 0.000 1.071 207 I CA 1.568 62.855 61.300 -0.022 0.000 1.345 207 I CB -0.260 37.756 38.000 0.026 0.000 1.066 207 I HN 0.319 nan 8.210 nan 0.000 0.406 208 K N 1.910 122.305 120.400 -0.009 0.000 2.442 208 K HA -0.009 4.309 4.320 -0.002 0.000 0.198 208 K C 1.711 178.301 176.600 -0.017 0.000 1.042 208 K CA 1.407 57.691 56.287 -0.006 0.000 0.958 208 K CB -0.294 32.211 32.500 0.009 0.000 0.766 208 K HN 0.335 nan 8.250 nan 0.000 0.474 209 A N 1.139 123.944 122.820 -0.025 0.000 1.984 209 A HA -0.004 4.315 4.320 -0.002 0.000 0.214 209 A C 1.897 179.454 177.584 -0.046 0.000 1.173 209 A CA 0.495 52.515 52.037 -0.028 0.000 0.673 209 A CB 0.041 19.027 19.000 -0.023 0.000 0.830 209 A HN 0.394 nan 8.150 nan 0.000 0.453 210 Q N -1.459 118.300 119.800 -0.070 0.000 2.442 210 Q HA 0.074 4.413 4.340 -0.002 0.000 0.228 210 Q C 0.083 176.001 176.000 -0.137 0.000 0.902 210 Q CA 0.137 55.880 55.803 -0.100 0.000 0.933 210 Q CB 0.255 28.923 28.738 -0.117 0.000 1.071 210 Q HN 0.501 nan 8.270 nan 0.000 0.562 211 N N 1.144 119.748 118.700 -0.160 0.000 2.918 211 N HA 0.398 5.137 4.740 -0.002 0.000 0.247 211 N C -1.692 173.782 175.510 -0.060 0.000 1.117 211 N CA -0.049 52.895 53.050 -0.176 0.000 1.005 211 N CB 0.619 38.925 38.487 -0.301 0.000 1.297 211 N HN 0.191 nan 8.380 nan 0.000 0.513 212 A N 2.064 124.858 122.820 -0.042 0.000 2.605 212 A HA 0.436 4.755 4.320 -0.002 0.000 0.294 212 A C -1.324 176.255 177.584 -0.009 0.000 1.062 212 A CA -0.779 51.252 52.037 -0.010 0.000 0.682 212 A CB 1.247 20.241 19.000 -0.011 0.000 1.278 212 A HN 0.454 nan 8.150 nan 0.000 0.410 213 Q N 1.311 121.113 119.800 0.003 0.000 2.372 213 Q HA 0.486 4.825 4.340 -0.002 0.000 0.259 213 Q C -0.328 175.671 176.000 -0.001 0.000 0.993 213 Q CA -0.642 55.162 55.803 0.001 0.000 0.854 213 Q CB 1.753 30.495 28.738 0.006 0.000 1.231 213 Q HN 0.781 nan 8.270 nan 0.000 0.462 214 V N -0.625 119.286 119.914 -0.006 0.000 2.539 214 V HA 0.737 4.856 4.120 -0.002 0.000 0.292 214 V C 0.144 176.234 176.094 -0.005 0.000 1.045 214 V CA -0.943 61.353 62.300 -0.006 0.000 0.945 214 V CB 1.379 33.197 31.823 -0.008 0.000 0.993 214 V HN 0.714 nan 8.190 nan 0.000 0.464 215 A N 3.556 126.373 122.820 -0.004 0.000 2.774 215 A HA 0.808 5.127 4.320 -0.002 0.000 0.326 215 A C 0.608 178.189 177.584 -0.005 0.000 1.478 215 A CA 0.075 52.109 52.037 -0.004 0.000 1.099 215 A CB -0.625 18.373 19.000 -0.004 0.000 1.148 215 A HN 1.759 nan 8.150 nan 0.000 0.519 216 A N 1.830 124.647 122.820 -0.005 0.000 2.287 216 A HA 0.693 5.012 4.320 -0.002 0.000 0.273 216 A C 1.155 178.736 177.584 -0.005 0.000 1.091 216 A CA 0.192 52.225 52.037 -0.006 0.000 0.817 216 A CB 0.066 19.062 19.000 -0.006 0.000 1.069 216 A HN 1.138 nan 8.150 nan 0.000 0.492 217 G N -0.465 108.332 108.800 -0.005 0.000 2.711 217 G HA2 0.460 4.419 3.960 -0.002 0.000 0.186 217 G HA3 0.460 4.419 3.960 -0.002 0.000 0.186 217 G C -0.010 174.887 174.900 -0.004 0.000 1.635 217 G CA 0.540 45.637 45.100 -0.004 0.000 1.065 217 G HN 1.169 nan 8.290 nan 0.000 0.545 218 Q N -1.676 118.122 119.800 -0.004 0.000 2.435 218 Q HA 0.524 4.863 4.340 -0.002 0.000 0.282 218 Q C -1.490 174.508 176.000 -0.004 0.000 1.020 218 Q CA -0.918 54.882 55.803 -0.004 0.000 0.820 218 Q CB 1.477 30.212 28.738 -0.004 0.000 1.436 218 Q HN 0.340 nan 8.270 nan 0.000 0.395 219 L N 1.630 122.851 121.223 -0.004 0.000 2.410 219 L HA 0.449 4.788 4.340 -0.002 0.000 0.273 219 L C 1.034 177.903 176.870 -0.003 0.000 1.152 219 L CA 0.911 55.749 54.840 -0.003 0.000 0.855 219 L CB 0.486 42.543 42.059 -0.003 0.000 1.129 219 L HN 1.082 nan 8.230 nan 0.000 0.463 220 G N 2.750 111.548 108.800 -0.003 0.000 2.298 220 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.287 220 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.287 220 G C 0.840 175.739 174.900 -0.003 0.000 1.075 220 G CA 0.111 45.209 45.100 -0.003 0.000 0.960 220 G HN 1.042 nan 8.290 nan 0.000 0.502 221 G N 0.303 109.101 108.800 -0.003 0.000 2.652 221 G HA2 0.121 4.080 3.960 -0.002 0.000 0.189 221 G HA3 0.121 4.080 3.960 -0.002 0.000 0.189 221 G C 1.587 176.485 174.900 -0.003 0.000 1.331 221 G CA 3.022 48.120 45.100 -0.003 0.000 0.875 221 G HN 1.609 nan 8.290 nan 0.000 0.672 222 T N -2.084 112.468 114.554 -0.003 0.000 3.115 222 T HA 0.275 4.624 4.350 -0.002 0.000 0.256 222 T C -2.002 172.696 174.700 -0.003 0.000 0.970 222 T CA 0.158 62.257 62.100 -0.003 0.000 1.010 222 T CB 0.056 68.922 68.868 -0.003 0.000 1.151 222 T HN 0.433 nan 8.240 nan 0.000 0.479 223 P HA 0.572 nan 4.420 nan 0.000 0.253 223 P C -2.730 174.569 177.300 -0.003 0.000 1.667 223 P CA -1.064 62.034 63.100 -0.003 0.000 1.118 223 P CB 0.709 32.408 31.700 -0.003 0.000 1.595 224 P HA 0.289 nan 4.420 nan 0.000 0.284 224 P C -0.712 176.587 177.300 -0.002 0.000 1.287 224 P CA -0.783 62.316 63.100 -0.002 0.000 0.824 224 P CB 1.045 32.744 31.700 -0.002 0.000 1.180 225 V N 1.276 121.188 119.914 -0.002 0.000 2.455 225 V HA 0.096 4.215 4.120 -0.002 0.000 0.273 225 V C 0.586 176.679 176.094 -0.002 0.000 1.045 225 V CA -0.455 61.844 62.300 -0.002 0.000 0.976 225 V CB -0.108 31.714 31.823 -0.002 0.000 0.993 225 V HN 0.472 nan 8.190 nan 0.000 0.475 226 K N 3.884 124.283 120.400 -0.002 0.000 2.437 226 K HA 0.373 4.692 4.320 -0.002 0.000 0.277 226 K C 1.034 177.633 176.600 -0.002 0.000 1.073 226 K CA 1.122 57.408 56.287 -0.002 0.000 1.105 226 K CB -0.167 32.332 32.500 -0.002 0.000 0.881 226 K HN 1.099 nan 8.250 nan 0.000 0.475 227 G N 1.974 110.773 108.800 -0.002 0.000 2.159 227 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.170 227 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.170 227 G C -0.308 174.591 174.900 -0.002 0.000 1.007 227 G CA -0.498 44.601 45.100 -0.002 0.000 0.672 227 G HN 0.508 nan 8.290 nan 0.000 0.507 228 Q N 0.669 120.467 119.800 -0.002 0.000 2.297 228 Q HA 0.545 4.884 4.340 -0.002 0.000 0.267 228 Q C 1.521 177.520 176.000 -0.002 0.000 1.006 228 Q CA 0.193 55.995 55.803 -0.002 0.000 0.896 228 Q CB 0.794 29.531 28.738 -0.002 0.000 1.186 228 Q HN 0.349 nan 8.270 nan 0.000 0.392 229 Q N 3.186 122.985 119.800 -0.002 0.000 2.200 229 Q HA 0.181 4.520 4.340 -0.002 0.000 0.197 229 Q C 0.123 176.122 176.000 -0.002 0.000 0.953 229 Q CA 0.642 56.444 55.803 -0.002 0.000 0.851 229 Q CB -0.071 28.666 28.738 -0.002 0.000 0.938 229 Q HN 0.710 nan 8.270 nan 0.000 0.488 230 L N -0.675 120.547 121.223 -0.002 0.000 2.317 230 L HA 0.585 4.924 4.340 -0.002 0.000 0.281 230 L C -0.299 176.569 176.870 -0.002 0.000 1.024 230 L CA -0.554 54.285 54.840 -0.002 0.000 0.810 230 L CB 1.489 43.547 42.059 -0.002 0.000 1.240 230 L HN -0.094 nan 8.230 nan 0.000 0.427 231 N N 3.097 121.796 118.700 -0.002 0.000 2.623 231 N HA 0.628 5.367 4.740 -0.002 0.000 0.256 231 N C -1.492 174.016 175.510 -0.003 0.000 1.045 231 N CA -0.229 52.819 53.050 -0.002 0.000 0.863 231 N CB 1.639 40.124 38.487 -0.002 0.000 1.182 231 N HN 0.965 nan 8.380 nan 0.000 0.523 232 A N 1.845 124.664 122.820 -0.003 0.000 2.374 232 A HA 0.579 4.898 4.320 -0.002 0.000 0.317 232 A C -0.019 177.563 177.584 -0.003 0.000 1.094 232 A CA -0.635 51.400 52.037 -0.003 0.000 0.765 232 A CB 1.210 20.208 19.000 -0.003 0.000 1.268 232 A HN 0.599 nan 8.150 nan 0.000 0.438 233 S N 1.056 116.754 115.700 -0.003 0.000 2.580 233 S HA 0.631 5.100 4.470 -0.002 0.000 0.274 233 S C -0.205 174.393 174.600 -0.004 0.000 1.329 233 S CA -0.260 57.938 58.200 -0.004 0.000 1.036 233 S CB 0.339 63.537 63.200 -0.004 0.000 0.919 233 S HN 0.492 nan 8.310 nan 0.000 0.515 234 I N 2.487 123.054 120.570 -0.004 0.000 2.336 234 I HA 0.329 4.498 4.170 -0.002 0.000 0.292 234 I C -0.556 175.558 176.117 -0.005 0.000 0.991 234 I CA -0.740 60.557 61.300 -0.005 0.000 1.227 234 I CB 1.113 39.110 38.000 -0.005 0.000 1.366 234 I HN 0.505 nan 8.210 nan 0.000 0.466 235 I N 5.776 126.343 120.570 -0.005 0.000 2.339 235 I HA 0.490 4.659 4.170 -0.002 0.000 0.290 235 I C 0.625 176.738 176.117 -0.007 0.000 0.994 235 I CA -0.077 61.220 61.300 -0.006 0.000 1.191 235 I CB 1.019 39.017 38.000 -0.005 0.000 1.343 235 I HN 0.668 nan 8.210 nan 0.000 0.458 236 A N 6.735 129.550 122.820 -0.008 0.000 3.388 236 A HA 0.388 4.707 4.320 -0.002 0.000 0.200 236 A C 0.298 177.874 177.584 -0.013 0.000 1.866 236 A CA -0.138 51.892 52.037 -0.011 0.000 1.898 236 A CB -0.000 18.993 19.000 -0.011 0.000 1.383 236 A HN 0.662 nan 8.150 nan 0.000 0.410 237 Q N 0.434 120.225 119.800 -0.016 0.000 2.296 237 Q HA 0.418 4.757 4.340 -0.002 0.000 0.262 237 Q C -0.502 175.488 176.000 -0.017 0.000 0.981 237 Q CA 0.004 55.795 55.803 -0.021 0.000 0.905 237 Q CB 0.939 29.661 28.738 -0.027 0.000 1.186 237 Q HN 0.558 nan 8.270 nan 0.000 0.399 238 T N 1.643 116.187 114.554 -0.017 0.000 2.952 238 T HA 0.379 4.728 4.350 -0.002 0.000 0.286 238 T C -0.394 174.301 174.700 -0.009 0.000 1.024 238 T CA -0.741 61.354 62.100 -0.008 0.000 1.029 238 T CB 0.973 69.839 68.868 -0.002 0.000 1.094 238 T HN 0.513 nan 8.240 nan 0.000 0.515 239 R N 2.238 122.746 120.500 0.013 0.000 2.438 239 R HA 0.379 4.718 4.340 -0.002 0.000 0.287 239 R C -0.076 176.260 176.300 0.059 0.000 1.077 239 R CA -0.329 55.794 56.100 0.039 0.000 1.034 239 R CB 0.205 30.550 30.300 0.075 0.000 0.993 239 R HN 0.563 nan 8.270 nan 0.000 0.459 240 L N 2.165 123.402 121.223 0.024 0.000 2.461 240 L HA 0.012 4.351 4.340 -0.002 0.000 0.272 240 L C 1.539 178.600 176.870 0.318 0.000 1.197 240 L CA 0.317 55.168 54.840 0.018 0.000 0.836 240 L CB 1.011 42.837 42.059 -0.389 0.000 1.105 240 L HN 0.774 nan 8.230 nan 0.000 0.477 241 T N -0.761 113.962 114.554 0.280 0.000 2.999 241 T HA 0.091 4.440 4.350 -0.002 0.000 0.247 241 T C 0.666 175.599 174.700 0.389 0.000 1.012 241 T CA 0.530 62.839 62.100 0.349 0.000 1.048 241 T CB 0.260 69.236 68.868 0.180 0.000 1.020 241 T HN 0.761 nan 8.240 nan 0.000 0.478 242 S N -0.747 115.120 115.700 0.278 0.000 2.709 242 S HA 0.452 4.921 4.470 -0.002 0.000 0.302 242 S C 1.078 175.773 174.600 0.158 0.000 1.127 242 S CA 0.017 58.330 58.200 0.188 0.000 0.905 242 S CB 0.882 64.155 63.200 0.121 0.000 1.151 242 S HN 0.001 nan 8.310 nan 0.000 0.510 243 T N -0.619 113.965 114.554 0.050 0.000 2.915 243 T HA -0.068 4.281 4.350 -0.002 0.000 0.269 243 T C 1.375 176.114 174.700 0.064 0.000 1.071 243 T CA 1.825 63.927 62.100 0.004 0.000 1.132 243 T CB -0.621 68.222 68.868 -0.042 0.000 0.878 243 T HN 0.696 nan 8.240 nan 0.000 0.479 244 E N 0.124 120.364 120.200 0.067 0.000 2.072 244 E HA -0.112 4.237 4.350 -0.002 0.000 0.190 244 E C 2.076 178.708 176.600 0.054 0.000 0.982 244 E CA 1.002 57.433 56.400 0.052 0.000 0.803 244 E CB -0.017 29.706 29.700 0.038 0.000 0.755 244 E HN 0.651 nan 8.360 nan 0.000 0.453 245 E N -0.434 119.805 120.200 0.065 0.000 2.110 245 E HA -0.162 4.187 4.350 -0.002 0.000 0.193 245 E C 1.832 178.397 176.600 -0.058 0.000 0.988 245 E CA 0.868 57.268 56.400 -0.000 0.000 0.804 245 E CB -0.107 29.584 29.700 -0.014 0.000 0.745 245 E HN 0.275 nan 8.360 nan 0.000 0.458 246 F N 0.444 120.344 119.950 -0.084 0.000 2.259 246 F HA -0.021 4.505 4.527 -0.002 0.000 0.298 246 F C 2.415 178.168 175.800 -0.079 0.000 1.088 246 F CA 1.161 59.096 58.000 -0.108 0.000 1.358 246 F CB -0.377 38.515 39.000 -0.179 0.000 1.040 246 F HN 0.054 nan 8.300 nan 0.000 0.505 247 G N -0.505 108.362 108.800 0.112 0.000 2.443 247 G HA2 -0.201 3.757 3.960 -0.002 0.000 0.219 247 G HA3 -0.201 3.757 3.960 -0.002 0.000 0.219 247 G C 1.462 176.371 174.900 0.015 0.000 1.131 247 G CA 0.330 45.463 45.100 0.054 0.000 0.775 247 G HN 0.258 nan 8.290 nan 0.000 0.547 248 K N 0.012 120.407 120.400 -0.007 0.000 2.469 248 K HA 0.282 4.600 4.320 -0.002 0.000 0.201 248 K C -0.025 176.542 176.600 -0.055 0.000 1.028 248 K CA -0.349 55.920 56.287 -0.031 0.000 1.170 248 K CB 0.324 32.804 32.500 -0.032 0.000 0.874 248 K HN 0.282 nan 8.250 nan 0.000 0.507 249 I N 2.335 122.870 120.570 -0.059 0.000 2.436 249 I HA 0.002 4.171 4.170 -0.002 0.000 0.289 249 I C 0.136 176.222 176.117 -0.053 0.000 1.083 249 I CA -0.374 60.881 61.300 -0.075 0.000 1.372 249 I CB 0.403 38.352 38.000 -0.085 0.000 1.408 249 I HN 0.086 nan 8.210 nan 0.000 0.516 250 L N 7.283 128.472 121.223 -0.057 0.000 2.367 250 L HA 0.188 4.527 4.340 -0.002 0.000 0.275 250 L C 0.430 177.274 176.870 -0.043 0.000 1.129 250 L CA 0.145 54.953 54.840 -0.054 0.000 0.839 250 L CB 0.741 42.768 42.059 -0.053 0.000 1.133 250 L HN 0.661 nan 8.230 nan 0.000 0.453 251 L N 4.287 125.483 121.223 -0.045 0.000 2.265 251 L HA 0.263 4.602 4.340 -0.002 0.000 0.195 251 L C 0.279 177.134 176.870 -0.025 0.000 1.083 251 L CA 0.451 55.277 54.840 -0.024 0.000 0.798 251 L CB -0.063 41.990 42.059 -0.010 0.000 0.989 251 L HN 0.684 nan 8.230 nan 0.000 0.472 252 K N -0.877 119.496 120.400 -0.046 0.000 2.533 252 K HA 0.583 4.902 4.320 -0.002 0.000 0.284 252 K C -1.233 175.329 176.600 -0.063 0.000 1.025 252 K CA -0.798 55.465 56.287 -0.039 0.000 0.900 252 K CB 2.094 34.585 32.500 -0.014 0.000 1.519 252 K HN -0.233 nan 8.250 nan 0.000 0.432 253 V N -0.054 119.833 119.914 -0.045 0.000 2.467 253 V HA 0.349 4.468 4.120 -0.002 0.000 0.260 253 V C -0.963 175.112 176.094 -0.031 0.000 0.963 253 V CA -1.041 61.229 62.300 -0.050 0.000 0.856 253 V CB -0.389 31.409 31.823 -0.042 0.000 1.087 253 V HN 0.845 nan 8.190 nan 0.000 0.467 254 N N 1.202 119.885 118.700 -0.028 0.000 2.345 254 N HA -0.007 4.732 4.740 -0.002 0.000 0.243 254 N C 0.243 175.751 175.510 -0.003 0.000 1.246 254 N CA -0.010 53.038 53.050 -0.003 0.000 0.863 254 N CB 0.414 38.912 38.487 0.019 0.000 1.096 254 N HN 0.756 nan 8.380 nan 0.000 0.446 255 Q N -0.068 119.735 119.800 0.004 0.000 2.364 255 Q HA 0.021 4.360 4.340 -0.002 0.000 0.263 255 Q C -0.839 175.163 176.000 0.003 0.000 1.276 255 Q CA 0.854 56.658 55.803 0.002 0.000 0.923 255 Q CB -0.492 28.248 28.738 0.005 0.000 1.477 255 Q HN 0.820 nan 8.270 nan 0.000 0.484 256 D N 1.255 121.654 120.400 -0.002 0.000 1.520 256 D HA 0.042 4.681 4.640 -0.002 0.000 0.776 256 D C 0.741 177.036 176.300 -0.008 0.000 0.570 256 D CA 1.060 55.059 54.000 -0.001 0.000 1.290 256 D CB -0.440 40.362 40.800 0.004 0.000 1.181 256 D HN 0.507 nan 8.370 nan 0.000 0.425 257 G N 0.527 109.318 108.800 -0.014 0.000 2.195 257 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.224 257 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.224 257 G C 0.277 175.159 174.900 -0.031 0.000 0.990 257 G CA 0.566 45.654 45.100 -0.020 0.000 0.639 257 G HN 0.657 nan 8.290 nan 0.000 0.514 258 S N 0.272 115.951 115.700 -0.035 0.000 2.564 258 S HA 0.659 5.128 4.470 -0.002 0.000 0.278 258 S C 0.640 175.186 174.600 -0.091 0.000 1.333 258 S CA -0.028 58.139 58.200 -0.056 0.000 1.048 258 S CB 0.479 63.649 63.200 -0.049 0.000 0.900 258 S HN 0.471 nan 8.310 nan 0.000 0.505 259 R N 1.918 122.351 120.500 -0.113 0.000 2.445 259 R HA 0.556 4.895 4.340 -0.002 0.000 0.308 259 R C -0.833 175.334 176.300 -0.222 0.000 0.961 259 R CA -0.816 55.203 56.100 -0.135 0.000 0.862 259 R CB 1.708 31.951 30.300 -0.094 0.000 1.144 259 R HN 0.530 nan 8.270 nan 0.000 0.447 260 V N 1.144 120.897 119.914 -0.268 0.000 2.513 260 V HA 0.710 4.829 4.120 -0.002 0.000 0.299 260 V C -0.722 175.256 176.094 -0.193 0.000 1.035 260 V CA -0.914 61.163 62.300 -0.371 0.000 0.889 260 V CB 1.414 32.855 31.823 -0.637 0.000 0.988 260 V HN 0.479 nan 8.190 nan 0.000 0.440 261 L N 3.201 124.338 121.223 -0.143 0.000 2.303 261 L HA 0.572 4.911 4.340 -0.002 0.000 0.256 261 L C 0.765 177.623 176.870 -0.019 0.000 1.034 261 L CA -0.528 54.272 54.840 -0.066 0.000 0.832 261 L CB 1.623 43.651 42.059 -0.051 0.000 1.403 261 L HN 0.612 nan 8.230 nan 0.000 0.419 262 L N 1.011 122.235 121.223 0.003 0.000 2.201 262 L HA -0.037 4.302 4.340 -0.002 0.000 0.212 262 L C 2.617 179.516 176.870 0.047 0.000 1.105 262 L CA 1.580 56.441 54.840 0.035 0.000 0.775 262 L CB -0.718 41.367 42.059 0.044 0.000 0.913 262 L HN 0.771 nan 8.230 nan 0.000 0.440 263 R N -0.923 119.598 120.500 0.035 0.000 2.092 263 R HA -0.154 4.185 4.340 -0.002 0.000 0.231 263 R C 1.433 177.764 176.300 0.051 0.000 1.119 263 R CA 1.824 57.949 56.100 0.041 0.000 0.970 263 R CB -0.524 29.793 30.300 0.028 0.000 0.864 263 R HN 0.310 nan 8.270 nan 0.000 0.440 264 D N 0.235 120.661 120.400 0.043 0.000 2.194 264 D HA -0.078 4.561 4.640 -0.002 0.000 0.204 264 D C 1.728 178.112 176.300 0.140 0.000 0.964 264 D CA 0.840 54.884 54.000 0.075 0.000 0.846 264 D CB 0.197 41.009 40.800 0.021 0.000 0.962 264 D HN 0.142 nan 8.370 nan 0.000 0.490 265 V N -0.604 119.387 119.914 0.129 0.000 3.307 265 V HA 0.390 4.509 4.120 -0.002 0.000 0.253 265 V C 0.232 176.393 176.094 0.111 0.000 1.149 265 V CA 0.738 63.131 62.300 0.155 0.000 1.112 265 V CB 0.318 32.244 31.823 0.171 0.000 0.777 265 V HN 0.152 nan 8.190 nan 0.000 0.464 266 A N -0.099 122.783 122.820 0.103 0.000 2.515 266 A HA 0.577 4.896 4.320 -0.002 0.000 0.298 266 A C -0.655 177.003 177.584 0.124 0.000 1.059 266 A CA -0.681 51.426 52.037 0.117 0.000 0.698 266 A CB 1.310 20.372 19.000 0.104 0.000 1.289 266 A HN 0.113 nan 8.150 nan 0.000 0.404 267 K N 1.921 122.431 120.400 0.183 0.000 2.316 267 K HA 0.519 4.838 4.320 -0.002 0.000 0.289 267 K C -1.315 175.415 176.600 0.216 0.000 1.070 267 K CA -0.049 56.361 56.287 0.205 0.000 0.928 267 K CB 0.110 32.759 32.500 0.248 0.000 1.039 267 K HN 0.564 nan 8.250 nan 0.000 0.480 268 I N 5.158 125.796 120.570 0.113 0.000 2.355 268 I HA 0.186 4.355 4.170 -0.002 0.000 0.288 268 I C -0.308 175.823 176.117 0.023 0.000 0.999 268 I CA -0.400 60.908 61.300 0.013 0.000 1.163 268 I CB 1.512 39.496 38.000 -0.027 0.000 1.316 268 I HN 0.645 nan 8.210 nan 0.000 0.454 269 E N 6.064 126.273 120.200 0.014 0.000 2.367 269 E HA 0.480 4.829 4.350 -0.002 0.000 0.273 269 E C -1.337 175.204 176.600 -0.099 0.000 0.903 269 E CA -1.115 55.296 56.400 0.018 0.000 0.764 269 E CB 2.459 32.256 29.700 0.162 0.000 1.252 269 E HN 0.344 nan 8.360 nan 0.000 0.446 270 L N 2.516 123.626 121.223 -0.188 0.000 2.356 270 L HA 0.488 4.827 4.340 -0.002 0.000 0.282 270 L C -0.250 176.305 176.870 -0.525 0.000 1.132 270 L CA 0.475 55.083 54.840 -0.386 0.000 0.923 270 L CB 0.095 41.869 42.059 -0.475 0.000 1.278 270 L HN 0.710 nan 8.230 nan 0.000 0.436 271 G N 2.240 110.964 108.800 -0.127 0.000 2.714 271 G HA2 0.580 4.539 3.960 -0.002 0.000 0.292 271 G HA3 0.580 4.539 3.960 -0.002 0.000 0.292 271 G C -0.372 174.739 174.900 0.353 0.000 1.308 271 G CA -0.516 44.728 45.100 0.241 0.000 0.964 271 G HN 0.690 nan 8.290 nan 0.000 0.484 272 G N -0.945 108.019 108.800 0.273 0.000 2.432 272 G HA2 0.349 4.308 3.960 -0.002 0.000 0.239 272 G HA3 0.349 4.308 3.960 -0.002 0.000 0.239 272 G C 0.866 175.590 174.900 -0.294 0.000 1.291 272 G CA 0.473 45.541 45.100 -0.054 0.000 0.863 272 G HN 0.771 nan 8.290 nan 0.000 0.560 273 E N 0.828 120.930 120.200 -0.163 0.000 2.204 273 E HA -0.116 4.233 4.350 -0.002 0.000 0.194 273 E C 0.745 177.087 176.600 -0.430 0.000 0.989 273 E CA 0.771 57.032 56.400 -0.231 0.000 0.824 273 E CB -0.074 29.612 29.700 -0.023 0.000 0.756 273 E HN 0.538 nan 8.360 nan 0.000 0.477 274 N N -0.201 118.267 118.700 -0.387 0.000 2.235 274 N HA 0.050 4.789 4.740 -0.002 0.000 0.293 274 N C -1.697 173.590 175.510 -0.372 0.000 1.083 274 N CA -0.797 52.074 53.050 -0.298 0.000 0.801 274 N CB 1.093 39.495 38.487 -0.142 0.000 1.559 274 N HN 0.018 nan 8.380 nan 0.000 0.472 275 Y N 0.684 121.012 120.300 0.047 0.000 2.602 275 Y HA 0.303 4.852 4.550 -0.002 0.000 0.373 275 Y C -0.282 175.643 175.900 0.041 0.000 0.960 275 Y CA -0.477 57.656 58.100 0.056 0.000 1.281 275 Y CB 0.652 39.151 38.460 0.066 0.000 1.308 275 Y HN 0.559 nan 8.280 nan 0.000 0.595 276 D N 0.426 120.900 120.400 0.123 0.000 2.716 276 D HA 0.131 4.770 4.640 -0.002 0.000 0.273 276 D C 0.003 176.360 176.300 0.096 0.000 1.024 276 D CA 0.440 54.498 54.000 0.098 0.000 0.944 276 D CB 0.636 41.477 40.800 0.068 0.000 1.186 276 D HN 0.343 nan 8.370 nan 0.000 0.485 277 I N 0.414 121.045 120.570 0.102 0.000 2.355 277 I HA 0.477 4.646 4.170 -0.002 0.000 0.288 277 I C -0.684 175.506 176.117 0.122 0.000 0.999 277 I CA -1.051 60.332 61.300 0.138 0.000 1.163 277 I CB 1.171 39.302 38.000 0.218 0.000 1.316 277 I HN -0.088 nan 8.210 nan 0.000 0.454 278 I N 3.192 123.812 120.570 0.085 0.000 2.785 278 I HA 1.048 5.217 4.170 -0.002 0.000 0.302 278 I C -0.460 175.627 176.117 -0.050 0.000 1.069 278 I CA -1.038 60.283 61.300 0.036 0.000 1.045 278 I CB 2.151 40.167 38.000 0.028 0.000 1.236 278 I HN 0.727 nan 8.210 nan 0.000 0.429 279 A N 3.186 125.928 122.820 -0.131 0.000 2.401 279 A HA 0.851 5.170 4.320 -0.002 0.000 0.310 279 A C -1.144 176.242 177.584 -0.331 0.000 1.075 279 A CA -0.503 51.315 52.037 -0.364 0.000 0.746 279 A CB 1.627 20.231 19.000 -0.659 0.000 1.277 279 A HN 0.749 nan 8.150 nan 0.000 0.425 280 E N 0.428 120.397 120.200 -0.385 0.000 2.218 280 E HA 0.444 4.793 4.350 -0.002 0.000 0.263 280 E C -1.633 174.832 176.600 -0.226 0.000 0.879 280 E CA -0.185 56.077 56.400 -0.231 0.000 0.762 280 E CB 1.715 31.326 29.700 -0.149 0.000 1.166 280 E HN 0.463 nan 8.360 nan 0.000 0.415 281 F N 4.658 124.471 119.950 -0.228 0.000 2.335 281 F HA 0.292 4.818 4.527 -0.002 0.000 0.365 281 F C 0.183 175.957 175.800 -0.042 0.000 1.122 281 F CA -0.504 57.445 58.000 -0.086 0.000 1.151 281 F CB 0.096 39.123 39.000 0.044 0.000 1.282 281 F HN 0.444 nan 8.300 nan 0.000 0.513 282 N N 4.046 122.488 118.700 -0.430 0.000 2.741 282 N HA -0.214 4.525 4.740 -0.002 0.000 0.250 282 N C 1.024 176.450 175.510 -0.140 0.000 1.115 282 N CA 1.232 54.091 53.050 -0.319 0.000 0.724 282 N CB -1.425 36.818 38.487 -0.407 0.000 1.090 282 N HN 1.198 nan 8.380 nan 0.000 0.558 283 G N -0.492 108.247 108.800 -0.102 0.000 2.176 283 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.253 283 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.253 283 G C -0.204 174.679 174.900 -0.029 0.000 0.979 283 G CA 0.590 45.656 45.100 -0.056 0.000 0.641 283 G HN 0.622 nan 8.290 nan 0.000 0.530 284 Q N 1.526 121.325 119.800 -0.002 0.000 2.278 284 Q HA 0.490 4.829 4.340 -0.002 0.000 0.257 284 Q C -2.314 173.703 176.000 0.029 0.000 0.928 284 Q CA -2.317 53.507 55.803 0.035 0.000 0.932 284 Q CB 1.678 30.473 28.738 0.095 0.000 1.221 284 Q HN 0.213 nan 8.270 nan 0.000 0.434 285 P HA 0.054 nan 4.420 nan 0.000 0.261 285 P C -1.478 175.817 177.300 -0.009 0.000 1.203 285 P CA 0.385 63.477 63.100 -0.014 0.000 0.767 285 P CB 0.599 32.294 31.700 -0.008 0.000 0.785 286 A N 2.878 125.681 122.820 -0.029 0.000 2.604 286 A HA 0.606 4.924 4.320 -0.002 0.000 0.295 286 A C -0.098 177.477 177.584 -0.015 0.000 1.067 286 A CA -0.454 51.574 52.037 -0.016 0.000 0.683 286 A CB 1.091 20.103 19.000 0.019 0.000 1.281 286 A HN 0.514 nan 8.150 nan 0.000 0.407 287 S N 0.213 115.939 115.700 0.043 0.000 2.745 287 S HA 0.963 5.432 4.470 -0.002 0.000 0.292 287 S C 0.272 175.029 174.600 0.263 0.000 1.127 287 S CA -0.120 58.163 58.200 0.140 0.000 1.007 287 S CB 1.647 64.909 63.200 0.102 0.000 1.165 287 S HN 2.427 nan 8.310 nan 0.000 0.544 288 G N -0.879 108.153 108.800 0.387 0.000 2.601 288 G HA2 0.518 4.477 3.960 -0.002 0.000 0.291 288 G HA3 0.518 4.477 3.960 -0.002 0.000 0.291 288 G C -1.891 173.217 174.900 0.348 0.000 1.456 288 G CA -0.981 44.319 45.100 0.333 0.000 0.804 288 G HN 0.730 nan 8.290 nan 0.000 0.499 289 L N 2.002 123.310 121.223 0.142 0.000 2.360 289 L HA 0.444 4.783 4.340 -0.002 0.000 0.265 289 L C 1.070 177.970 176.870 0.050 0.000 1.066 289 L CA -0.646 54.241 54.840 0.079 0.000 0.929 289 L CB 1.244 43.325 42.059 0.037 0.000 1.306 289 L HN 0.656 nan 8.230 nan 0.000 0.434 290 G N 4.420 113.246 108.800 0.042 0.000 2.439 290 G HA2 0.413 4.372 3.960 -0.002 0.000 0.298 290 G HA3 0.413 4.372 3.960 -0.002 0.000 0.298 290 G C -0.101 174.901 174.900 0.169 0.000 1.044 290 G CA -0.282 44.797 45.100 -0.035 0.000 1.168 290 G HN 0.446 nan 8.290 nan 0.000 0.433 291 I N 1.700 122.375 120.570 0.175 0.000 2.365 291 I HA 0.294 4.463 4.170 -0.002 0.000 0.291 291 I C 0.470 176.719 176.117 0.220 0.000 1.004 291 I CA -0.354 61.046 61.300 0.167 0.000 1.311 291 I CB 1.685 39.738 38.000 0.088 0.000 1.401 291 I HN 0.300 nan 8.210 nan 0.000 0.491 292 K N 7.391 127.847 120.400 0.092 0.000 2.483 292 K HA 0.368 4.687 4.320 -0.002 0.000 0.256 292 K C -0.744 175.851 176.600 -0.007 0.000 0.961 292 K CA -0.694 55.566 56.287 -0.044 0.000 0.873 292 K CB 1.090 33.475 32.500 -0.192 0.000 1.107 292 K HN 0.541 nan 8.250 nan 0.000 0.432 293 L N 3.285 124.514 121.223 0.010 0.000 2.499 293 L HA 0.140 4.479 4.340 -0.002 0.000 0.281 293 L C 0.240 177.123 176.870 0.022 0.000 1.234 293 L CA 0.583 55.441 54.840 0.031 0.000 0.839 293 L CB 0.597 42.688 42.059 0.053 0.000 1.104 293 L HN 0.951 nan 8.230 nan 0.000 0.500 294 A N 3.173 126.011 122.820 0.029 0.000 2.327 294 A HA 0.305 4.623 4.320 -0.002 0.000 0.255 294 A C 0.216 177.817 177.584 0.029 0.000 1.099 294 A CA -0.302 51.750 52.037 0.025 0.000 0.801 294 A CB 0.012 19.026 19.000 0.023 0.000 1.062 294 A HN 0.782 nan 8.150 nan 0.000 0.496 295 T N 1.269 115.839 114.554 0.026 0.000 2.743 295 T HA 0.449 4.798 4.350 -0.002 0.000 0.290 295 T C 1.031 175.748 174.700 0.028 0.000 0.908 295 T CA 1.203 63.320 62.100 0.029 0.000 1.092 295 T CB -0.150 68.737 68.868 0.031 0.000 0.882 295 T HN 1.973 nan 8.240 nan 0.000 0.531 296 G N 2.578 111.400 108.800 0.036 0.000 2.298 296 G HA2 -0.032 3.927 3.960 -0.002 0.000 0.287 296 G HA3 -0.032 3.927 3.960 -0.002 0.000 0.287 296 G C 0.453 175.377 174.900 0.040 0.000 1.075 296 G CA -0.004 45.120 45.100 0.040 0.000 0.960 296 G HN 1.005 nan 8.290 nan 0.000 0.502 297 A N 0.395 123.242 122.820 0.045 0.000 3.975 297 A HA 0.704 5.023 4.320 -0.002 0.000 0.169 297 A C 1.522 179.136 177.584 0.050 0.000 1.707 297 A CA 0.870 52.932 52.037 0.043 0.000 1.474 297 A CB 0.195 19.220 19.000 0.041 0.000 1.327 297 A HN 0.942 nan 8.150 nan 0.000 0.500 298 N N -1.409 117.322 118.700 0.053 0.000 2.082 298 N HA 0.333 5.072 4.740 -0.002 0.000 0.228 298 N C 0.856 176.402 175.510 0.060 0.000 1.341 298 N CA 0.874 53.956 53.050 0.054 0.000 0.873 298 N CB 1.003 39.515 38.487 0.041 0.000 1.137 298 N HN 1.014 nan 8.380 nan 0.000 0.505 299 A N 2.100 124.963 122.820 0.071 0.000 3.941 299 A HA -0.359 3.959 4.320 -0.002 0.000 0.355 299 A C 1.422 179.047 177.584 0.069 0.000 1.675 299 A CA 2.098 54.185 52.037 0.083 0.000 0.874 299 A CB -1.654 17.410 19.000 0.107 0.000 1.486 299 A HN 0.239 nan 8.150 nan 0.000 0.583 300 L N 0.486 121.743 121.223 0.056 0.000 2.201 300 L HA -0.029 4.310 4.340 -0.002 0.000 0.212 300 L C 1.870 178.758 176.870 0.031 0.000 1.105 300 L CA 2.756 57.620 54.840 0.041 0.000 0.775 300 L CB -0.639 41.433 42.059 0.021 0.000 0.913 300 L HN 0.594 nan 8.230 nan 0.000 0.440 301 D N -1.433 118.985 120.400 0.030 0.000 2.178 301 D HA -0.141 4.498 4.640 -0.002 0.000 0.202 301 D C 1.820 178.137 176.300 0.029 0.000 0.974 301 D CA 1.658 55.673 54.000 0.024 0.000 0.841 301 D CB 0.159 40.972 40.800 0.023 0.000 0.953 301 D HN 0.368 nan 8.370 nan 0.000 0.478 302 T N 0.879 115.456 114.554 0.039 0.000 2.737 302 T HA -0.064 4.285 4.350 -0.002 0.000 0.265 302 T C 2.058 176.786 174.700 0.046 0.000 1.038 302 T CA 1.274 63.399 62.100 0.042 0.000 1.144 302 T CB -0.106 68.792 68.868 0.050 0.000 0.866 302 T HN 0.155 nan 8.240 nan 0.000 0.434 303 A N 1.118 123.970 122.820 0.052 0.000 2.067 303 A HA 0.310 4.629 4.320 -0.002 0.000 0.219 303 A C 2.499 180.109 177.584 0.044 0.000 1.158 303 A CA 1.464 53.535 52.037 0.058 0.000 0.661 303 A CB -0.752 18.289 19.000 0.067 0.000 0.801 303 A HN 0.483 nan 8.150 nan 0.000 0.452 304 A N -0.690 122.149 122.820 0.031 0.000 2.014 304 A HA 0.324 4.642 4.320 -0.002 0.000 0.218 304 A C 2.139 179.736 177.584 0.021 0.000 1.163 304 A CA 1.659 53.708 52.037 0.018 0.000 0.652 304 A CB -0.411 18.594 19.000 0.009 0.000 0.808 304 A HN 0.987 nan 8.150 nan 0.000 0.449 305 A N -1.477 121.359 122.820 0.027 0.000 2.288 305 A HA 0.385 4.704 4.320 -0.002 0.000 0.216 305 A C 1.617 179.221 177.584 0.034 0.000 1.199 305 A CA 0.261 52.313 52.037 0.025 0.000 0.891 305 A CB -0.210 18.802 19.000 0.021 0.000 0.923 305 A HN 0.286 nan 8.150 nan 0.000 0.500 306 I N 0.310 120.906 120.570 0.044 0.000 2.315 306 I HA -0.153 4.016 4.170 -0.002 0.000 0.248 306 I C 2.380 178.537 176.117 0.065 0.000 1.117 306 I CA 1.376 62.708 61.300 0.054 0.000 1.404 306 I CB -0.215 37.823 38.000 0.064 0.000 1.071 306 I HN 0.389 nan 8.210 nan 0.000 0.419 307 R N 1.200 121.743 120.500 0.071 0.000 2.075 307 R HA -0.021 4.318 4.340 -0.002 0.000 0.232 307 R C 2.152 178.482 176.300 0.051 0.000 1.126 307 R CA 1.842 57.991 56.100 0.082 0.000 0.963 307 R CB -0.853 29.491 30.300 0.074 0.000 0.858 307 R HN 0.267 nan 8.270 nan 0.000 0.435 308 A N 0.195 123.035 122.820 0.034 0.000 1.933 308 A HA -0.135 4.184 4.320 -0.002 0.000 0.218 308 A C 2.092 179.687 177.584 0.018 0.000 1.175 308 A CA 1.716 53.765 52.037 0.020 0.000 0.628 308 A CB -0.566 18.442 19.000 0.014 0.000 0.814 308 A HN 0.479 nan 8.150 nan 0.000 0.444 309 E N -0.211 120.003 120.200 0.024 0.000 2.072 309 E HA -0.110 4.239 4.350 -0.002 0.000 0.191 309 E C 1.833 178.445 176.600 0.021 0.000 0.985 309 E CA 0.869 57.281 56.400 0.021 0.000 0.801 309 E CB -0.219 29.495 29.700 0.024 0.000 0.750 309 E HN 0.445 nan 8.360 nan 0.000 0.452 310 L N -0.201 121.039 121.223 0.030 0.000 2.291 310 L HA 0.067 4.406 4.340 -0.002 0.000 0.214 310 L C 1.865 178.728 176.870 -0.011 0.000 1.120 310 L CA 1.758 56.615 54.840 0.028 0.000 0.799 310 L CB -0.986 41.107 42.059 0.056 0.000 0.925 310 L HN 0.201 nan 8.230 nan 0.000 0.446 311 A N 0.390 123.207 122.820 -0.005 0.000 1.898 311 A HA -0.168 4.150 4.320 -0.002 0.000 0.216 311 A C 2.065 179.610 177.584 -0.066 0.000 1.181 311 A CA 1.257 53.278 52.037 -0.027 0.000 0.620 311 A CB -0.272 18.724 19.000 -0.008 0.000 0.819 311 A HN 0.451 nan 8.150 nan 0.000 0.442 312 K N -0.391 119.985 120.400 -0.039 0.000 2.469 312 K HA 0.195 4.514 4.320 -0.002 0.000 0.201 312 K C 0.855 177.464 176.600 0.016 0.000 1.028 312 K CA 0.277 56.551 56.287 -0.021 0.000 1.170 312 K CB -0.008 32.507 32.500 0.025 0.000 0.874 312 K HN 0.764 nan 8.250 nan 0.000 0.507 313 M N -2.791 116.757 119.600 -0.085 0.000 2.306 313 M HA 0.218 4.697 4.480 -0.002 0.000 0.292 313 M C 0.674 176.601 176.300 -0.622 0.000 1.018 313 M CA 0.270 55.508 55.300 -0.104 0.000 1.007 313 M CB 0.245 32.818 32.600 -0.044 0.000 1.510 313 M HN -0.068 nan 8.290 nan 0.000 0.537 314 E N 2.092 121.893 120.200 -0.665 0.000 2.152 314 E HA -0.052 4.297 4.350 -0.002 0.000 0.192 314 E C -0.828 175.464 176.600 -0.513 0.000 0.983 314 E CA 0.914 56.795 56.400 -0.865 0.000 0.818 314 E CB -0.771 28.694 29.700 -0.393 0.000 0.758 314 E HN 0.482 nan 8.360 nan 0.000 0.467 315 P HA -0.080 nan 4.420 nan 0.000 0.225 315 P C 0.467 177.512 177.300 -0.425 0.000 1.156 315 P CA 0.919 63.743 63.100 -0.460 0.000 0.787 315 P CB -0.009 31.299 31.700 -0.653 0.000 0.802 316 F N -2.588 117.344 119.950 -0.031 0.000 2.765 316 F HA 0.168 4.694 4.527 -0.002 0.000 0.302 316 F C 0.967 176.940 175.800 0.289 0.000 1.111 316 F CA -0.489 57.571 58.000 0.100 0.000 1.359 316 F CB -0.416 38.639 39.000 0.091 0.000 1.097 316 F HN -0.229 nan 8.300 nan 0.000 0.577 317 F N 3.278 123.349 119.950 0.202 0.000 2.563 317 F HA 0.192 4.718 4.527 -0.002 0.000 0.363 317 F C -1.406 174.404 175.800 0.018 0.000 1.123 317 F CA -3.397 54.678 58.000 0.126 0.000 1.307 317 F CB -0.409 38.629 39.000 0.065 0.000 1.115 317 F HN -0.098 nan 8.300 nan 0.000 0.592 318 P HA 0.200 nan 4.420 nan 0.000 0.281 318 P C -0.873 176.385 177.300 -0.069 0.000 1.281 318 P CA -0.683 62.394 63.100 -0.039 0.000 0.811 318 P CB 0.447 32.057 31.700 -0.150 0.000 1.154 319 S N -0.058 115.615 115.700 -0.046 0.000 3.480 319 S HA 0.220 4.689 4.470 -0.002 0.000 0.411 319 S C 1.442 176.000 174.600 -0.071 0.000 1.164 319 S CA 1.288 59.464 58.200 -0.040 0.000 1.084 319 S CB -1.465 61.718 63.200 -0.029 0.000 0.759 319 S HN 0.988 nan 8.310 nan 0.000 0.515 320 G N 2.532 111.302 108.800 -0.050 0.000 2.194 320 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.236 320 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.236 320 G C 0.057 174.905 174.900 -0.087 0.000 0.987 320 G CA -0.481 44.584 45.100 -0.058 0.000 0.635 320 G HN 0.607 nan 8.290 nan 0.000 0.520 321 L N 1.302 122.448 121.223 -0.128 0.000 2.485 321 L HA 0.389 4.728 4.340 -0.002 0.000 0.279 321 L C 0.582 177.437 176.870 -0.024 0.000 1.124 321 L CA 0.478 55.193 54.840 -0.209 0.000 0.888 321 L CB 0.843 42.557 42.059 -0.575 0.000 1.217 321 L HN 0.240 nan 8.230 nan 0.000 0.464 322 K N 3.825 124.195 120.400 -0.049 0.000 2.371 322 K HA 0.499 4.818 4.320 -0.002 0.000 0.251 322 K C -0.853 175.709 176.600 -0.063 0.000 0.934 322 K CA -0.825 55.462 56.287 -0.001 0.000 0.798 322 K CB 1.949 34.441 32.500 -0.014 0.000 1.204 322 K HN 0.306 nan 8.250 nan 0.000 0.427 323 I N 5.450 125.991 120.570 -0.048 0.000 2.312 323 I HA 0.162 4.331 4.170 -0.002 0.000 0.291 323 I C 0.271 176.179 176.117 -0.349 0.000 1.031 323 I CA -0.595 60.586 61.300 -0.198 0.000 1.293 323 I CB 0.640 38.541 38.000 -0.164 0.000 1.403 323 I HN 0.382 nan 8.210 nan 0.000 0.484 324 V N 4.914 124.534 119.914 -0.491 0.000 2.975 324 V HA 0.546 4.664 4.120 -0.002 0.000 0.318 324 V C -1.093 174.631 176.094 -0.616 0.000 1.077 324 V CA -0.739 61.275 62.300 -0.477 0.000 1.000 324 V CB 1.782 33.186 31.823 -0.698 0.000 1.066 324 V HN 0.496 nan 8.190 nan 0.000 0.452 325 Y N 2.365 122.610 120.300 -0.091 0.000 2.863 325 Y HA 0.485 5.034 4.550 -0.002 0.000 0.348 325 Y C -1.725 174.175 175.900 0.000 0.000 1.028 325 Y CA -1.852 56.214 58.100 -0.058 0.000 1.213 325 Y CB 1.298 39.748 38.460 -0.016 0.000 1.120 325 Y HN 0.544 nan 8.280 nan 0.000 0.598 326 P HA -0.116 nan 4.420 nan 0.000 0.229 326 P C -0.454 176.884 177.300 0.064 0.000 1.160 326 P CA 1.159 64.344 63.100 0.142 0.000 0.777 326 P CB 0.693 32.442 31.700 0.082 0.000 0.814 327 Y N 0.005 120.221 120.300 -0.140 0.000 2.298 327 Y HA 0.481 5.030 4.550 -0.002 0.000 0.322 327 Y C -1.792 174.063 175.900 -0.076 0.000 1.138 327 Y CA -0.998 56.999 58.100 -0.172 0.000 1.127 327 Y CB 1.360 39.559 38.460 -0.436 0.000 1.178 327 Y HN -0.283 nan 8.280 nan 0.000 0.428 328 D N 2.821 123.309 120.400 0.146 0.000 2.970 328 D HA 0.220 4.859 4.640 -0.002 0.000 0.230 328 D C 0.273 176.648 176.300 0.126 0.000 1.276 328 D CA -0.152 53.959 54.000 0.184 0.000 0.910 328 D CB 2.024 42.893 40.800 0.115 0.000 1.590 328 D HN 0.542 nan 8.370 nan 0.000 0.551 329 T N -0.710 113.964 114.554 0.201 0.000 3.044 329 T HA 0.027 4.376 4.350 -0.002 0.000 0.250 329 T C 1.611 176.440 174.700 0.214 0.000 1.081 329 T CA 0.615 62.839 62.100 0.207 0.000 1.040 329 T CB -0.091 68.929 68.868 0.252 0.000 0.962 329 T HN 0.304 nan 8.240 nan 0.000 0.506 330 T N 3.525 118.167 114.554 0.147 0.000 2.597 330 T HA -0.081 4.268 4.350 -0.002 0.000 0.267 330 T C -0.362 174.392 174.700 0.090 0.000 1.053 330 T CA 1.990 64.147 62.100 0.094 0.000 1.165 330 T CB -1.308 67.585 68.868 0.042 0.000 0.863 330 T HN 0.454 nan 8.240 nan 0.000 0.427 331 P HA -0.062 nan 4.420 nan 0.000 0.220 331 P C 1.415 178.799 177.300 0.139 0.000 1.148 331 P CA 0.932 64.097 63.100 0.108 0.000 0.803 331 P CB -0.242 31.550 31.700 0.153 0.000 0.782 332 F N 1.444 121.444 119.950 0.084 0.000 2.146 332 F HA -0.149 4.377 4.527 -0.002 0.000 0.298 332 F C 1.933 177.696 175.800 -0.063 0.000 1.096 332 F CA 1.261 59.282 58.000 0.036 0.000 1.275 332 F CB -0.780 38.301 39.000 0.135 0.000 1.008 332 F HN -0.320 nan 8.300 nan 0.000 0.480 333 V N 0.231 120.109 119.914 -0.060 0.000 2.427 333 V HA -0.245 3.874 4.120 -0.002 0.000 0.248 333 V C 2.263 178.241 176.094 -0.193 0.000 1.051 333 V CA 1.989 64.180 62.300 -0.183 0.000 1.048 333 V CB -0.798 31.002 31.823 -0.039 0.000 0.666 333 V HN 0.249 nan 8.190 nan 0.000 0.456 334 K N -0.616 119.712 120.400 -0.120 0.000 2.525 334 K HA 0.131 4.450 4.320 -0.002 0.000 0.192 334 K C 1.680 178.200 176.600 -0.132 0.000 1.029 334 K CA 0.535 56.758 56.287 -0.106 0.000 1.029 334 K CB 0.049 32.507 32.500 -0.069 0.000 0.814 334 K HN 0.455 nan 8.250 nan 0.000 0.503 335 I N -0.849 119.582 120.570 -0.231 0.000 3.339 335 I HA -0.071 4.098 4.170 -0.002 0.000 0.285 335 I C 1.182 177.095 176.117 -0.340 0.000 1.201 335 I CA 0.230 61.369 61.300 -0.269 0.000 1.434 335 I CB 0.556 38.315 38.000 -0.401 0.000 1.152 335 I HN -0.087 nan 8.210 nan 0.000 0.443 336 S N 0.774 116.180 115.700 -0.489 0.000 2.723 336 S HA 0.040 4.509 4.470 -0.002 0.000 0.231 336 S C 1.389 175.843 174.600 -0.243 0.000 0.967 336 S CA 0.943 58.869 58.200 -0.457 0.000 0.958 336 S CB -0.147 62.687 63.200 -0.609 0.000 0.778 336 S HN 0.278 nan 8.310 nan 0.000 0.537 337 I N -1.081 119.389 120.570 -0.168 0.000 4.033 337 I HA 0.133 4.301 4.170 -0.002 0.000 0.296 337 I C 1.756 177.848 176.117 -0.041 0.000 1.210 337 I CA 0.336 61.588 61.300 -0.079 0.000 1.341 337 I CB -0.154 37.806 38.000 -0.066 0.000 1.369 337 I HN 0.164 nan 8.210 nan 0.000 0.453 338 H N 1.039 120.027 119.070 -0.138 0.000 2.491 338 H HA -0.004 4.551 4.556 -0.002 0.000 0.290 338 H C 1.710 176.969 175.328 -0.115 0.000 1.050 338 H CA 1.595 57.573 56.048 -0.117 0.000 1.309 338 H CB 0.353 30.041 29.762 -0.123 0.000 1.392 338 H HN 0.151 nan 8.280 nan 0.000 0.554 339 E N -0.514 119.543 120.200 -0.238 0.000 2.250 339 E HA -0.014 4.335 4.350 -0.002 0.000 0.192 339 E C 2.369 178.876 176.600 -0.156 0.000 0.986 339 E CA 0.540 56.787 56.400 -0.255 0.000 0.849 339 E CB 0.143 29.702 29.700 -0.235 0.000 0.797 339 E HN 0.345 nan 8.360 nan 0.000 0.482 340 V N 0.938 120.795 119.914 -0.094 0.000 2.323 340 V HA -0.177 3.942 4.120 -0.002 0.000 0.244 340 V C 2.485 178.555 176.094 -0.039 0.000 1.041 340 V CA 1.142 63.436 62.300 -0.010 0.000 1.025 340 V CB -0.327 31.530 31.823 0.057 0.000 0.656 340 V HN 0.046 nan 8.190 nan 0.000 0.451 341 V N -0.129 119.753 119.914 -0.053 0.000 2.407 341 V HA -0.280 3.839 4.120 -0.002 0.000 0.248 341 V C 2.417 178.459 176.094 -0.086 0.000 1.055 341 V CA 2.226 64.499 62.300 -0.046 0.000 1.049 341 V CB -0.674 31.134 31.823 -0.026 0.000 0.662 341 V HN 0.491 nan 8.190 nan 0.000 0.455 342 K N 0.268 120.574 120.400 -0.157 0.000 2.057 342 K HA -0.161 4.158 4.320 -0.002 0.000 0.207 342 K C 2.131 178.660 176.600 -0.118 0.000 1.049 342 K CA 2.072 58.255 56.287 -0.175 0.000 0.931 342 K CB -0.514 31.814 32.500 -0.286 0.000 0.714 342 K HN 0.521 nan 8.250 nan 0.000 0.440 343 T N 0.994 115.485 114.554 -0.104 0.000 2.857 343 T HA -0.071 4.278 4.350 -0.002 0.000 0.266 343 T C 1.683 176.334 174.700 -0.081 0.000 1.048 343 T CA 1.071 63.120 62.100 -0.084 0.000 1.139 343 T CB -0.155 68.672 68.868 -0.069 0.000 0.874 343 T HN 0.176 nan 8.240 nan 0.000 0.455 344 L N 1.022 122.203 121.223 -0.070 0.000 2.017 344 L HA -0.080 4.258 4.340 -0.002 0.000 0.208 344 L C 2.448 179.287 176.870 -0.051 0.000 1.073 344 L CA 1.269 56.074 54.840 -0.059 0.000 0.745 344 L CB -0.327 41.714 42.059 -0.031 0.000 0.894 344 L HN 0.058 nan 8.230 nan 0.000 0.432 345 V N -0.092 119.792 119.914 -0.049 0.000 2.343 345 V HA -0.279 3.840 4.120 -0.002 0.000 0.247 345 V C 2.369 178.433 176.094 -0.049 0.000 1.051 345 V CA 2.030 64.303 62.300 -0.045 0.000 1.036 345 V CB -0.540 31.254 31.823 -0.047 0.000 0.654 345 V HN 0.488 nan 8.190 nan 0.000 0.451 346 E N 0.176 120.342 120.200 -0.057 0.000 2.153 346 E HA -0.192 4.157 4.350 -0.002 0.000 0.194 346 E C 2.237 178.808 176.600 -0.048 0.000 0.988 346 E CA 1.242 57.611 56.400 -0.053 0.000 0.811 346 E CB -0.294 29.371 29.700 -0.059 0.000 0.746 346 E HN 0.612 nan 8.360 nan 0.000 0.466 347 A N 0.849 123.634 122.820 -0.059 0.000 2.067 347 A HA -0.123 4.196 4.320 -0.002 0.000 0.219 347 A C 1.959 179.524 177.584 -0.030 0.000 1.158 347 A CA 0.757 52.756 52.037 -0.064 0.000 0.661 347 A CB -0.204 18.737 19.000 -0.099 0.000 0.801 347 A HN 0.113 nan 8.150 nan 0.000 0.452 348 I N -0.783 119.776 120.570 -0.017 0.000 2.277 348 I HA -0.092 4.077 4.170 -0.002 0.000 0.243 348 I C 2.201 178.349 176.117 0.052 0.000 1.094 348 I CA 1.021 62.331 61.300 0.018 0.000 1.393 348 I CB -1.239 36.763 38.000 0.004 0.000 1.078 348 I HN 0.178 nan 8.210 nan 0.000 0.417 349 I N 0.777 121.352 120.570 0.009 0.000 2.353 349 I HA -0.206 3.963 4.170 -0.002 0.000 0.248 349 I C 2.498 178.655 176.117 0.067 0.000 1.119 349 I CA 1.168 62.478 61.300 0.015 0.000 1.417 349 I CB -0.409 37.562 38.000 -0.048 0.000 1.078 349 I HN 0.071 nan 8.210 nan 0.000 0.421 350 L N -0.873 120.367 121.223 0.028 0.000 2.201 350 L HA -0.162 4.176 4.340 -0.002 0.000 0.212 350 L C 2.413 179.304 176.870 0.035 0.000 1.105 350 L CA 0.632 55.485 54.840 0.022 0.000 0.775 350 L CB -0.382 41.672 42.059 -0.009 0.000 0.913 350 L HN 0.070 nan 8.230 nan 0.000 0.440 351 V N -0.966 118.976 119.914 0.046 0.000 2.323 351 V HA -0.280 3.839 4.120 -0.002 0.000 0.244 351 V C 2.174 178.307 176.094 0.066 0.000 1.041 351 V CA 1.613 63.938 62.300 0.042 0.000 1.025 351 V CB -0.473 31.372 31.823 0.038 0.000 0.656 351 V HN 0.313 nan 8.190 nan 0.000 0.451 352 F N 0.099 120.025 119.950 -0.040 0.000 2.192 352 F HA -0.233 4.292 4.527 -0.002 0.000 0.301 352 F C 1.963 177.720 175.800 -0.072 0.000 1.079 352 F CA 1.673 59.636 58.000 -0.062 0.000 1.303 352 F CB -0.053 38.899 39.000 -0.079 0.000 1.024 352 F HN 0.061 nan 8.300 nan 0.000 0.494 353 L N -1.202 120.090 121.223 0.114 0.000 2.095 353 L HA -0.127 4.212 4.340 -0.002 0.000 0.204 353 L C 1.929 178.827 176.870 0.047 0.000 1.080 353 L CA 0.531 55.403 54.840 0.053 0.000 0.759 353 L CB -0.557 41.530 42.059 0.047 0.000 0.914 353 L HN -0.165 nan 8.230 nan 0.000 0.439 354 V N -0.238 119.698 119.914 0.037 0.000 3.592 354 V HA -0.098 4.021 4.120 -0.002 0.000 0.272 354 V C 1.973 178.083 176.094 0.026 0.000 1.228 354 V CA 0.707 63.036 62.300 0.048 0.000 1.173 354 V CB -0.362 31.460 31.823 -0.002 0.000 0.873 354 V HN 0.381 nan 8.190 nan 0.000 0.476 355 M N -1.613 117.975 119.600 -0.021 0.000 2.545 355 M HA 0.121 4.600 4.480 -0.002 0.000 0.264 355 M C 1.994 178.279 176.300 -0.025 0.000 1.155 355 M CA 1.144 56.404 55.300 -0.066 0.000 1.162 355 M CB -0.708 31.766 32.600 -0.209 0.000 1.330 355 M HN 0.388 nan 8.290 nan 0.000 0.479 356 Y N 0.818 121.010 120.300 -0.180 0.000 2.263 356 Y HA 0.015 4.563 4.550 -0.002 0.000 0.292 356 Y C 1.051 176.936 175.900 -0.024 0.000 1.130 356 Y CA 0.879 58.894 58.100 -0.142 0.000 1.179 356 Y CB 0.274 38.620 38.460 -0.189 0.000 0.998 356 Y HN -0.056 nan 8.280 nan 0.000 0.532 357 L N 0.282 121.594 121.223 0.148 0.000 2.349 357 L HA 0.010 4.349 4.340 -0.002 0.000 0.275 357 L C 0.196 177.275 176.870 0.350 0.000 1.115 357 L CA 0.672 55.599 54.840 0.145 0.000 0.820 357 L CB 0.271 42.427 42.059 0.162 0.000 1.135 357 L HN 0.587 nan 8.230 nan 0.000 0.445 358 F N 1.354 121.337 119.950 0.056 0.000 2.514 358 F HA -0.340 4.186 4.527 -0.002 0.000 0.704 358 F C 0.390 176.237 175.800 0.078 0.000 0.488 358 F CA 1.362 59.405 58.000 0.072 0.000 0.876 358 F CB -1.129 37.882 39.000 0.019 0.000 1.711 358 F HN 0.411 nan 8.300 nan 0.000 0.269 359 L N 0.209 121.555 121.223 0.204 0.000 2.488 359 L HA 0.660 4.999 4.340 -0.002 0.000 0.250 359 L C -0.154 176.694 176.870 -0.038 0.000 1.280 359 L CA -0.868 54.019 54.840 0.079 0.000 0.929 359 L CB 1.011 43.101 42.059 0.053 0.000 1.200 359 L HN 0.161 nan 8.230 nan 0.000 0.495 360 Q N 0.666 120.432 119.800 -0.056 0.000 2.414 360 Q HA 0.394 4.733 4.340 -0.002 0.000 0.288 360 Q C -0.512 175.285 176.000 -0.338 0.000 1.086 360 Q CA 0.402 56.012 55.803 -0.321 0.000 0.943 360 Q CB -0.160 28.490 28.738 -0.147 0.000 1.282 360 Q HN 0.685 nan 8.270 nan 0.000 0.438 361 N N -0.468 117.845 118.700 -0.645 0.000 4.218 361 N HA -0.145 4.594 4.740 -0.002 0.000 0.320 361 N C -0.979 174.590 175.510 0.098 0.000 2.219 361 N CA 0.054 53.025 53.050 -0.132 0.000 2.794 361 N CB -0.621 37.867 38.487 0.002 0.000 0.342 361 N HN 0.507 nan 8.380 nan 0.000 0.582 362 F N 1.195 121.300 119.950 0.258 0.000 2.115 362 F HA -0.179 4.347 4.527 -0.002 0.000 0.300 362 F C 2.328 178.187 175.800 0.099 0.000 1.092 362 F CA 1.502 59.626 58.000 0.206 0.000 1.245 362 F CB -0.059 39.094 39.000 0.256 0.000 0.995 362 F HN 0.470 nan 8.300 nan 0.000 0.481 363 R N -0.471 120.191 120.500 0.270 0.000 2.377 363 R HA -0.022 4.316 4.340 -0.002 0.000 0.207 363 R C 1.739 178.086 176.300 0.079 0.000 1.075 363 R CA 0.789 56.982 56.100 0.154 0.000 1.035 363 R CB -0.424 29.945 30.300 0.115 0.000 0.857 363 R HN 0.316 nan 8.270 nan 0.000 0.475 364 A N -0.103 122.742 122.820 0.042 0.000 2.138 364 A HA -0.006 4.312 4.320 -0.002 0.000 0.203 364 A C 1.993 179.546 177.584 -0.052 0.000 1.286 364 A CA 0.409 52.442 52.037 -0.006 0.000 0.929 364 A CB -0.012 18.975 19.000 -0.022 0.000 0.975 364 A HN 0.300 nan 8.150 nan 0.000 0.480 365 T N -1.695 112.779 114.554 -0.132 0.000 2.995 365 T HA 0.010 4.359 4.350 -0.002 0.000 0.269 365 T C 1.763 176.340 174.700 -0.205 0.000 1.091 365 T CA 0.892 62.799 62.100 -0.321 0.000 1.128 365 T CB -0.320 68.071 68.868 -0.796 0.000 0.891 365 T HN 0.099 nan 8.240 nan 0.000 0.492 366 L N 0.518 121.742 121.223 0.002 0.000 1.989 366 L HA -0.006 4.333 4.340 -0.002 0.000 0.211 366 L C 2.620 179.568 176.870 0.130 0.000 1.071 366 L CA 1.670 56.611 54.840 0.169 0.000 0.749 366 L CB -1.018 41.168 42.059 0.211 0.000 0.890 366 L HN 0.318 nan 8.230 nan 0.000 0.431 367 I N 0.571 121.186 120.570 0.076 0.000 2.118 367 I HA -0.228 3.941 4.170 -0.002 0.000 0.241 367 I C -0.543 175.615 176.117 0.069 0.000 1.070 367 I CA 1.725 63.067 61.300 0.069 0.000 1.327 367 I CB -1.902 36.118 38.000 0.033 0.000 1.034 367 I HN 0.225 nan 8.210 nan 0.000 0.405 368 P HA -0.044 nan 4.420 nan 0.000 0.242 368 P C 0.894 178.231 177.300 0.062 0.000 1.197 368 P CA 1.422 64.544 63.100 0.037 0.000 0.765 368 P CB -0.270 31.432 31.700 0.004 0.000 0.936 369 T N -5.385 109.230 114.554 0.102 0.000 2.975 369 T HA 0.173 4.522 4.350 -0.002 0.000 0.257 369 T C 1.553 176.343 174.700 0.150 0.000 1.003 369 T CA -0.070 62.122 62.100 0.154 0.000 0.932 369 T CB -0.304 68.744 68.868 0.300 0.000 1.087 369 T HN -0.155 nan 8.240 nan 0.000 0.512 370 I N 2.008 122.670 120.570 0.152 0.000 2.584 370 I HA 0.277 4.446 4.170 -0.002 0.000 0.255 370 I C 2.787 178.980 176.117 0.126 0.000 1.145 370 I CA 0.781 62.178 61.300 0.160 0.000 1.462 370 I CB -1.255 36.881 38.000 0.227 0.000 1.102 370 I HN 0.375 nan 8.210 nan 0.000 0.433 371 A N 0.885 123.769 122.820 0.107 0.000 2.119 371 A HA -0.049 4.270 4.320 -0.002 0.000 0.217 371 A C 2.344 179.959 177.584 0.052 0.000 1.153 371 A CA 1.334 53.420 52.037 0.081 0.000 0.692 371 A CB -0.641 18.402 19.000 0.071 0.000 0.799 371 A HN 0.317 nan 8.150 nan 0.000 0.458 372 V N -2.291 117.654 119.914 0.051 0.000 2.407 372 V HA -0.021 4.097 4.120 -0.002 0.000 0.245 372 V C -0.100 176.000 176.094 0.010 0.000 1.041 372 V CA 1.360 63.676 62.300 0.026 0.000 1.040 372 V CB -1.910 29.930 31.823 0.029 0.000 0.671 372 V HN 0.401 nan 8.190 nan 0.000 0.455 373 P HA 0.043 nan 4.420 nan 0.000 0.224 373 P C 1.985 179.294 177.300 0.016 0.000 1.157 373 P CA 1.050 64.165 63.100 0.024 0.000 0.799 373 P CB 0.054 31.777 31.700 0.038 0.000 0.809 374 V N 0.708 120.632 119.914 0.017 0.000 2.255 374 V HA -0.217 3.901 4.120 -0.002 0.000 0.247 374 V C 2.805 178.891 176.094 -0.013 0.000 1.051 374 V CA 2.009 64.314 62.300 0.009 0.000 1.018 374 V CB -1.273 30.563 31.823 0.022 0.000 0.641 374 V HN -0.052 nan 8.190 nan 0.000 0.445 375 V N -0.299 119.599 119.914 -0.026 0.000 2.295 375 V HA -0.240 3.878 4.120 -0.002 0.000 0.246 375 V C 2.354 178.368 176.094 -0.134 0.000 1.049 375 V CA 2.070 64.334 62.300 -0.060 0.000 1.024 375 V CB -0.696 31.097 31.823 -0.049 0.000 0.648 375 V HN 0.523 nan 8.190 nan 0.000 0.447 376 L N -0.375 120.758 121.223 -0.151 0.000 2.012 376 L HA -0.175 4.164 4.340 -0.002 0.000 0.210 376 L C 2.245 178.844 176.870 -0.453 0.000 1.073 376 L CA 1.927 56.589 54.840 -0.297 0.000 0.748 376 L CB -0.406 41.547 42.059 -0.177 0.000 0.891 376 L HN 0.184 nan 8.230 nan 0.000 0.431 377 L N -0.630 120.536 121.223 -0.095 0.000 1.994 377 L HA -0.120 4.218 4.340 -0.002 0.000 0.208 377 L C 2.528 179.441 176.870 0.073 0.000 1.071 377 L CA 1.452 56.396 54.840 0.173 0.000 0.745 377 L CB -1.295 40.868 42.059 0.175 0.000 0.892 377 L HN 0.449 nan 8.230 nan 0.000 0.431 378 G N -1.342 107.447 108.800 -0.018 0.000 2.479 378 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.220 378 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.220 378 G C 1.470 176.330 174.900 -0.067 0.000 1.115 378 G CA 1.272 46.361 45.100 -0.019 0.000 0.757 378 G HN 0.355 nan 8.290 nan 0.000 0.560 379 T N 0.559 114.990 114.554 -0.205 0.000 3.023 379 T HA 0.064 4.413 4.350 -0.002 0.000 0.266 379 T C 1.926 176.471 174.700 -0.259 0.000 1.093 379 T CA 0.300 62.234 62.100 -0.276 0.000 1.129 379 T CB -0.245 68.386 68.868 -0.395 0.000 0.899 379 T HN 0.354 nan 8.240 nan 0.000 0.491 380 F N 1.900 121.817 119.950 -0.055 0.000 2.146 380 F HA 0.032 4.558 4.527 -0.002 0.000 0.298 380 F C 2.783 178.573 175.800 -0.016 0.000 1.096 380 F CA 0.648 58.624 58.000 -0.040 0.000 1.275 380 F CB -0.480 38.500 39.000 -0.033 0.000 1.008 380 F HN 0.136 nan 8.300 nan 0.000 0.480 381 A N -0.438 122.482 122.820 0.166 0.000 1.877 381 A HA -0.149 4.170 4.320 -0.002 0.000 0.216 381 A C 2.100 179.739 177.584 0.091 0.000 1.186 381 A CA 1.619 53.720 52.037 0.106 0.000 0.620 381 A CB -1.145 17.900 19.000 0.075 0.000 0.822 381 A HN 0.214 nan 8.150 nan 0.000 0.443 382 V N 0.127 120.088 119.914 0.080 0.000 3.623 382 V HA 0.103 4.222 4.120 -0.002 0.000 0.274 382 V C 1.464 177.679 176.094 0.202 0.000 1.244 382 V CA 0.609 62.987 62.300 0.130 0.000 1.182 382 V CB -0.631 31.256 31.823 0.107 0.000 0.925 382 V HN 0.527 nan 8.190 nan 0.000 0.462 383 L N -0.340 120.970 121.223 0.145 0.000 2.558 383 L HA 0.214 4.552 4.340 -0.002 0.000 0.225 383 L C 2.340 179.327 176.870 0.195 0.000 1.128 383 L CA 0.894 55.848 54.840 0.191 0.000 0.868 383 L CB -0.286 41.846 42.059 0.122 0.000 1.006 383 L HN 0.438 nan 8.230 nan 0.000 0.454 384 A N 0.269 123.161 122.820 0.120 0.000 1.901 384 A HA 0.350 4.669 4.320 -0.002 0.000 0.210 384 A C 1.451 179.002 177.584 -0.054 0.000 1.208 384 A CA 0.476 52.541 52.037 0.047 0.000 0.644 384 A CB -0.413 18.609 19.000 0.037 0.000 0.863 384 A HN 0.229 nan 8.150 nan 0.000 0.454 385 A N -1.440 121.357 122.820 -0.039 0.000 2.587 385 A HA 0.156 4.474 4.320 -0.002 0.000 0.243 385 A C 0.709 178.013 177.584 -0.467 0.000 0.998 385 A CA 1.106 53.065 52.037 -0.129 0.000 0.872 385 A CB -0.929 18.118 19.000 0.078 0.000 0.859 385 A HN 1.574 nan 8.150 nan 0.000 0.458 386 F N 0.500 120.188 119.950 -0.436 0.000 2.536 386 F HA -0.369 4.157 4.527 -0.002 0.000 0.736 386 F C 1.321 176.875 175.800 -0.410 0.000 0.491 386 F CA 2.611 60.351 58.000 -0.433 0.000 0.746 386 F CB -0.971 37.718 39.000 -0.518 0.000 1.594 386 F HN 1.466 nan 8.300 nan 0.000 0.274 387 G N -0.057 108.634 108.800 -0.182 0.000 5.338 387 G HA2 0.443 4.402 3.960 -0.002 0.000 0.198 387 G HA3 0.443 4.402 3.960 -0.002 0.000 0.198 387 G C -1.492 173.375 174.900 -0.054 0.000 0.708 387 G CA 0.209 45.284 45.100 -0.042 0.000 0.626 387 G HN 0.834 nan 8.290 nan 0.000 0.419 388 F N -0.672 119.353 119.950 0.124 0.000 2.596 388 F HA 0.842 5.367 4.527 -0.002 0.000 0.311 388 F C 0.274 176.162 175.800 0.147 0.000 1.116 388 F CA -1.209 56.854 58.000 0.106 0.000 0.957 388 F CB 1.141 40.188 39.000 0.079 0.000 1.250 388 F HN 0.255 nan 8.300 nan 0.000 0.444 389 S N 0.999 116.923 115.700 0.373 0.000 3.872 389 S HA -0.003 4.466 4.470 -0.002 0.000 0.637 389 S C -0.822 173.926 174.600 0.246 0.000 1.919 389 S CA -0.316 58.107 58.200 0.371 0.000 2.119 389 S CB -1.200 62.353 63.200 0.588 0.000 0.330 389 S HN 1.661 nan 8.310 nan 0.000 1.761 390 I N 0.976 121.688 120.570 0.238 0.000 6.322 390 I HA -0.129 4.040 4.170 -0.002 0.000 0.126 390 I C -0.725 175.485 176.117 0.156 0.000 1.824 390 I CA -0.004 61.395 61.300 0.166 0.000 2.037 390 I CB -1.055 37.017 38.000 0.119 0.000 3.471 390 I HN 0.640 nan 8.210 nan 0.000 0.169 391 N N 2.228 121.031 118.700 0.172 0.000 3.277 391 N HA 0.616 5.355 4.740 -0.002 0.000 0.278 391 N C -0.736 174.861 175.510 0.145 0.000 1.544 391 N CA -0.516 52.631 53.050 0.161 0.000 0.869 391 N CB 1.653 40.265 38.487 0.208 0.000 1.584 391 N HN 0.288 nan 8.380 nan 0.000 0.564 392 T N 0.314 114.940 114.554 0.120 0.000 2.919 392 T HA 0.457 4.806 4.350 -0.002 0.000 0.282 392 T C 1.228 176.018 174.700 0.151 0.000 1.020 392 T CA -0.081 62.079 62.100 0.101 0.000 0.994 392 T CB 1.293 70.167 68.868 0.010 0.000 1.180 392 T HN 0.808 nan 8.240 nan 0.000 0.566 393 L N -1.346 119.978 121.223 0.168 0.000 5.359 393 L HA -0.321 4.018 4.340 -0.002 0.000 0.419 393 L C 1.535 178.606 176.870 0.335 0.000 0.881 393 L CA 3.158 58.177 54.840 0.299 0.000 1.682 393 L CB -2.916 39.309 42.059 0.277 0.000 1.375 393 L HN 0.928 nan 8.230 nan 0.000 0.618 394 T N -3.222 111.499 114.554 0.277 0.000 2.857 394 T HA -0.093 4.256 4.350 -0.002 0.000 0.266 394 T C 1.579 176.332 174.700 0.087 0.000 1.048 394 T CA 1.541 63.781 62.100 0.234 0.000 1.139 394 T CB -0.328 68.709 68.868 0.282 0.000 0.874 394 T HN 0.454 nan 8.240 nan 0.000 0.455 395 M N 0.312 119.997 119.600 0.141 0.000 2.460 395 M HA 0.278 4.757 4.480 -0.002 0.000 0.263 395 M C 1.486 177.870 176.300 0.140 0.000 1.071 395 M CA 0.946 56.333 55.300 0.146 0.000 1.096 395 M CB -0.610 32.090 32.600 0.166 0.000 1.408 395 M HN 0.496 nan 8.290 nan 0.000 0.463 396 F N -1.564 118.394 119.950 0.015 0.000 2.505 396 F HA 0.306 4.832 4.527 -0.002 0.000 0.289 396 F C 1.891 177.691 175.800 -0.000 0.000 1.101 396 F CA 0.732 58.728 58.000 -0.007 0.000 1.446 396 F CB -0.347 38.652 39.000 -0.002 0.000 1.123 396 F HN 0.055 nan 8.300 nan 0.000 0.564 397 G N 1.058 109.825 108.800 -0.055 0.000 2.559 397 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.216 397 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.216 397 G C 1.464 176.233 174.900 -0.217 0.000 1.126 397 G CA 0.530 45.540 45.100 -0.150 0.000 0.778 397 G HN 0.244 nan 8.290 nan 0.000 0.543 398 M N 0.505 119.986 119.600 -0.198 0.000 2.159 398 M HA -0.055 4.424 4.480 -0.002 0.000 0.263 398 M C 2.634 178.797 176.300 -0.228 0.000 1.063 398 M CA 0.966 56.134 55.300 -0.219 0.000 1.110 398 M CB -0.662 31.824 32.600 -0.189 0.000 1.374 398 M HN 0.153 nan 8.290 nan 0.000 0.411 399 V N -0.194 119.553 119.914 -0.280 0.000 2.548 399 V HA -0.190 3.929 4.120 -0.002 0.000 0.249 399 V C 2.269 178.169 176.094 -0.322 0.000 1.055 399 V CA 0.921 63.042 62.300 -0.298 0.000 1.065 399 V CB -0.767 30.850 31.823 -0.343 0.000 0.681 399 V HN 0.307 nan 8.190 nan 0.000 0.462 400 L N 0.413 121.425 121.223 -0.351 0.000 2.465 400 L HA 0.160 4.499 4.340 -0.002 0.000 0.224 400 L C 1.958 178.748 176.870 -0.134 0.000 1.145 400 L CA 1.645 56.343 54.840 -0.236 0.000 0.834 400 L CB -0.443 41.492 42.059 -0.206 0.000 0.944 400 L HN 0.259 nan 8.230 nan 0.000 0.451 401 A N -2.023 120.699 122.820 -0.163 0.000 2.469 401 A HA 0.207 4.526 4.320 -0.002 0.000 0.245 401 A C 1.704 179.231 177.584 -0.095 0.000 1.221 401 A CA -0.159 51.816 52.037 -0.104 0.000 0.946 401 A CB -0.382 18.520 19.000 -0.163 0.000 1.049 401 A HN 0.231 nan 8.150 nan 0.000 0.529 402 I N 0.028 120.507 120.570 -0.151 0.000 2.916 402 I HA -0.019 4.150 4.170 -0.002 0.000 0.267 402 I C 1.840 177.892 176.117 -0.108 0.000 1.263 402 I CA 1.129 62.345 61.300 -0.140 0.000 1.471 402 I CB -0.024 37.875 38.000 -0.168 0.000 1.089 402 I HN 0.281 nan 8.210 nan 0.000 0.468 403 G N -0.624 108.123 108.800 -0.089 0.000 2.549 403 G HA2 -0.041 3.918 3.960 -0.002 0.000 0.219 403 G HA3 -0.041 3.918 3.960 -0.002 0.000 0.219 403 G C 1.389 176.431 174.900 0.236 0.000 1.677 403 G CA 0.420 45.580 45.100 0.100 0.000 0.929 403 G HN 0.304 nan 8.290 nan 0.000 0.549 404 L N 0.313 121.762 121.223 0.377 0.000 2.411 404 L HA -0.378 3.961 4.340 -0.002 0.000 0.234 404 L C 2.841 179.768 176.870 0.094 0.000 1.140 404 L CA 2.906 57.854 54.840 0.179 0.000 0.850 404 L CB -0.522 41.632 42.059 0.159 0.000 0.970 404 L HN 0.462 nan 8.230 nan 0.000 0.441 405 L N -2.902 118.358 121.223 0.062 0.000 2.083 405 L HA -0.091 4.248 4.340 -0.002 0.000 0.209 405 L C 2.201 179.091 176.870 0.034 0.000 1.083 405 L CA 1.749 56.608 54.840 0.031 0.000 0.752 405 L CB -1.371 40.687 42.059 -0.002 0.000 0.899 405 L HN 0.139 nan 8.230 nan 0.000 0.433 406 V N 0.892 120.830 119.914 0.040 0.000 2.343 406 V HA -0.263 3.856 4.120 -0.002 0.000 0.247 406 V C 2.254 178.372 176.094 0.041 0.000 1.051 406 V CA 2.091 64.414 62.300 0.038 0.000 1.036 406 V CB -0.988 30.858 31.823 0.037 0.000 0.654 406 V HN 0.431 nan 8.190 nan 0.000 0.451 407 D N -0.183 120.252 120.400 0.058 0.000 2.218 407 D HA -0.151 4.488 4.640 -0.002 0.000 0.204 407 D C 1.885 178.201 176.300 0.026 0.000 0.976 407 D CA 1.236 55.259 54.000 0.038 0.000 0.853 407 D CB -0.308 40.515 40.800 0.038 0.000 0.939 407 D HN 0.403 nan 8.370 nan 0.000 0.481 408 D N -0.276 120.142 120.400 0.031 0.000 2.234 408 D HA 0.067 4.706 4.640 -0.002 0.000 0.205 408 D C 1.875 178.193 176.300 0.030 0.000 0.962 408 D CA 0.753 54.770 54.000 0.028 0.000 0.855 408 D CB 0.039 40.856 40.800 0.028 0.000 0.951 408 D HN 0.088 nan 8.370 nan 0.000 0.500 409 A N -0.009 122.830 122.820 0.031 0.000 2.016 409 A HA 0.006 4.325 4.320 -0.002 0.000 0.217 409 A C 2.312 179.913 177.584 0.028 0.000 1.162 409 A CA 0.421 52.477 52.037 0.032 0.000 0.662 409 A CB -0.458 18.562 19.000 0.034 0.000 0.812 409 A HN 0.268 nan 8.150 nan 0.000 0.450 410 I N -0.475 120.109 120.570 0.022 0.000 2.202 410 I HA -0.210 3.958 4.170 -0.002 0.000 0.242 410 I C 2.342 178.473 176.117 0.023 0.000 1.091 410 I CA 1.082 62.389 61.300 0.011 0.000 1.368 410 I CB -0.272 37.724 38.000 -0.006 0.000 1.058 410 I HN 0.152 nan 8.210 nan 0.000 0.410 411 V N 0.997 120.933 119.914 0.036 0.000 2.287 411 V HA -0.268 3.851 4.120 -0.002 0.000 0.248 411 V C 2.502 178.637 176.094 0.068 0.000 1.053 411 V CA 2.195 64.533 62.300 0.063 0.000 1.027 411 V CB -0.827 31.041 31.823 0.076 0.000 0.646 411 V HN 0.451 nan 8.190 nan 0.000 0.447 412 V N -2.310 117.636 119.914 0.052 0.000 2.626 412 V HA -0.113 4.006 4.120 -0.002 0.000 0.252 412 V C 2.212 178.330 176.094 0.041 0.000 1.067 412 V CA 1.554 63.883 62.300 0.048 0.000 1.081 412 V CB -0.769 31.078 31.823 0.039 0.000 0.686 412 V HN 0.309 nan 8.190 nan 0.000 0.468 413 V N 0.816 120.750 119.914 0.033 0.000 2.323 413 V HA -0.169 3.950 4.120 -0.002 0.000 0.244 413 V C 2.874 178.983 176.094 0.026 0.000 1.041 413 V CA 2.348 64.662 62.300 0.024 0.000 1.025 413 V CB -0.507 31.326 31.823 0.016 0.000 0.656 413 V HN 0.703 nan 8.190 nan 0.000 0.451 414 E N 0.531 120.749 120.200 0.031 0.000 2.107 414 E HA -0.239 4.110 4.350 -0.002 0.000 0.191 414 E C 1.984 178.609 176.600 0.042 0.000 0.982 414 E CA 1.329 57.750 56.400 0.034 0.000 0.809 414 E CB -0.448 29.272 29.700 0.033 0.000 0.756 414 E HN 0.640 nan 8.360 nan 0.000 0.459 415 N N 0.256 118.992 118.700 0.059 0.000 2.289 415 N HA -0.115 4.624 4.740 -0.002 0.000 0.184 415 N C 1.917 177.458 175.510 0.052 0.000 1.016 415 N CA 1.186 54.279 53.050 0.072 0.000 0.872 415 N CB 0.262 38.821 38.487 0.119 0.000 0.973 415 N HN 0.058 nan 8.380 nan 0.000 0.433 416 V N 0.730 120.668 119.914 0.040 0.000 2.379 416 V HA -0.125 3.994 4.120 -0.002 0.000 0.245 416 V C 2.087 178.193 176.094 0.020 0.000 1.044 416 V CA 1.394 63.710 62.300 0.027 0.000 1.036 416 V CB -0.455 31.380 31.823 0.020 0.000 0.664 416 V HN 0.212 nan 8.190 nan 0.000 0.453 417 E N 0.776 120.988 120.200 0.020 0.000 2.418 417 E HA -0.175 4.174 4.350 -0.002 0.000 0.197 417 E C 2.158 178.769 176.600 0.017 0.000 1.026 417 E CA 0.938 57.347 56.400 0.014 0.000 0.862 417 E CB -0.134 29.575 29.700 0.015 0.000 0.799 417 E HN 0.702 nan 8.360 nan 0.000 0.518 418 R N -0.721 119.792 120.500 0.022 0.000 2.225 418 R HA 0.037 4.376 4.340 -0.002 0.000 0.194 418 R C 1.820 178.130 176.300 0.016 0.000 0.957 418 R CA 1.016 57.127 56.100 0.020 0.000 1.042 418 R CB -0.229 30.079 30.300 0.012 0.000 1.004 418 R HN 0.153 nan 8.270 nan 0.000 0.509 419 V N -1.498 118.427 119.914 0.019 0.000 2.951 419 V HA 0.032 4.151 4.120 -0.002 0.000 0.255 419 V C 2.220 178.321 176.094 0.010 0.000 1.088 419 V CA 0.842 63.152 62.300 0.017 0.000 1.109 419 V CB -0.181 31.657 31.823 0.025 0.000 0.724 419 V HN 0.265 nan 8.190 nan 0.000 0.471 420 M N 1.166 120.770 119.600 0.008 0.000 2.200 420 M HA 0.072 4.551 4.480 -0.002 0.000 0.265 420 M C 2.138 178.436 176.300 -0.004 0.000 1.066 420 M CA 2.184 57.485 55.300 0.001 0.000 1.127 420 M CB -0.464 32.136 32.600 -0.001 0.000 1.379 420 M HN 0.515 nan 8.290 nan 0.000 0.420 421 A N -0.314 122.506 122.820 -0.001 0.000 1.898 421 A HA -0.090 4.229 4.320 -0.002 0.000 0.214 421 A C 1.928 179.512 177.584 -0.000 0.000 1.183 421 A CA 1.203 53.238 52.037 -0.004 0.000 0.622 421 A CB -0.341 18.663 19.000 0.007 0.000 0.824 421 A HN 0.587 nan 8.150 nan 0.000 0.444 422 E N -0.415 119.789 120.200 0.008 0.000 2.024 422 E HA -0.084 4.265 4.350 -0.002 0.000 0.190 422 E C 1.924 178.525 176.600 0.001 0.000 0.974 422 E CA 0.839 57.243 56.400 0.008 0.000 0.810 422 E CB -0.112 29.595 29.700 0.011 0.000 0.775 422 E HN 0.455 nan 8.360 nan 0.000 0.453 423 E N -0.280 119.922 120.200 0.003 0.000 2.152 423 E HA -0.070 4.279 4.350 -0.002 0.000 0.192 423 E C 1.279 177.877 176.600 -0.003 0.000 0.983 423 E CA 0.974 57.375 56.400 0.002 0.000 0.818 423 E CB 0.132 29.835 29.700 0.006 0.000 0.758 423 E HN 0.445 nan 8.360 nan 0.000 0.467 424 G N 1.017 109.814 108.800 -0.004 0.000 2.132 424 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.234 424 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.234 424 G C -0.019 174.878 174.900 -0.006 0.000 0.989 424 G CA 0.202 45.297 45.100 -0.008 0.000 0.676 424 G HN 0.159 nan 8.290 nan 0.000 0.522 425 L N 0.530 121.751 121.223 -0.003 0.000 2.296 425 L HA 0.478 4.817 4.340 -0.002 0.000 0.286 425 L C -0.956 175.913 176.870 -0.002 0.000 1.023 425 L CA -2.180 52.659 54.840 -0.002 0.000 0.812 425 L CB 2.123 44.183 42.059 0.001 0.000 1.223 425 L HN -0.054 nan 8.230 nan 0.000 0.421 426 P HA 0.181 nan 4.420 nan 0.000 0.245 426 P C -2.233 175.065 177.300 -0.003 0.000 1.199 426 P CA 0.244 63.341 63.100 -0.004 0.000 0.807 426 P CB -0.319 31.378 31.700 -0.005 0.000 1.002 427 P HA 0.310 nan 4.420 nan 0.000 0.348 427 P C 1.080 178.379 177.300 -0.002 0.000 1.286 427 P CA -0.357 62.741 63.100 -0.003 0.000 0.781 427 P CB 1.115 32.813 31.700 -0.003 0.000 1.688 428 K N -0.636 119.762 120.400 -0.003 0.000 2.148 428 K HA -0.123 4.196 4.320 -0.002 0.000 0.204 428 K C 1.791 178.393 176.600 0.002 0.000 1.050 428 K CA 1.409 57.695 56.287 -0.001 0.000 0.942 428 K CB -0.193 32.305 32.500 -0.002 0.000 0.724 428 K HN 0.327 nan 8.250 nan 0.000 0.446 429 E N 0.351 120.552 120.200 0.002 0.000 2.268 429 E HA -0.131 4.218 4.350 -0.002 0.000 0.195 429 E C 1.654 178.258 176.600 0.007 0.000 0.995 429 E CA 0.971 57.373 56.400 0.003 0.000 0.836 429 E CB -0.035 29.666 29.700 0.002 0.000 0.763 429 E HN 0.322 nan 8.360 nan 0.000 0.491 430 A N 0.059 122.883 122.820 0.007 0.000 1.897 430 A HA -0.117 4.202 4.320 -0.002 0.000 0.215 430 A C 2.248 179.842 177.584 0.016 0.000 1.181 430 A CA 1.644 53.687 52.037 0.010 0.000 0.620 430 A CB -0.711 18.294 19.000 0.008 0.000 0.821 430 A HN 0.230 nan 8.150 nan 0.000 0.443 431 T N -0.569 113.993 114.554 0.014 0.000 2.588 431 T HA -0.154 4.194 4.350 -0.002 0.000 0.261 431 T C 1.941 176.653 174.700 0.020 0.000 1.069 431 T CA 1.577 63.688 62.100 0.018 0.000 1.172 431 T CB -0.329 68.547 68.868 0.013 0.000 0.863 431 T HN 0.431 nan 8.240 nan 0.000 0.408 432 R N 1.274 121.783 120.500 0.014 0.000 2.312 432 R HA -0.234 4.105 4.340 -0.002 0.000 0.233 432 R C 1.997 178.306 176.300 0.015 0.000 1.097 432 R CA 2.131 58.238 56.100 0.012 0.000 0.864 432 R CB -0.434 29.870 30.300 0.008 0.000 0.987 432 R HN 0.364 nan 8.270 nan 0.000 0.405 433 K N -0.270 120.141 120.400 0.018 0.000 2.486 433 K HA 0.085 4.404 4.320 -0.002 0.000 0.194 433 K C 1.904 178.525 176.600 0.035 0.000 1.033 433 K CA 0.756 57.056 56.287 0.022 0.000 1.004 433 K CB 0.290 32.802 32.500 0.021 0.000 0.798 433 K HN 0.189 nan 8.250 nan 0.000 0.495 434 S N 1.569 117.295 115.700 0.043 0.000 2.345 434 S HA -0.076 4.393 4.470 -0.002 0.000 0.220 434 S C 1.687 176.317 174.600 0.050 0.000 1.031 434 S CA 1.193 59.432 58.200 0.066 0.000 0.996 434 S CB -0.066 63.174 63.200 0.067 0.000 0.882 434 S HN 0.289 nan 8.310 nan 0.000 0.445 435 M N 1.462 121.078 119.600 0.027 0.000 2.700 435 M HA 0.015 4.494 4.480 -0.002 0.000 0.249 435 M C 1.916 178.208 176.300 -0.013 0.000 1.082 435 M CA 0.422 55.726 55.300 0.005 0.000 1.077 435 M CB -0.427 32.178 32.600 0.007 0.000 1.477 435 M HN 0.419 nan 8.290 nan 0.000 0.529 436 G N -0.260 108.538 108.800 -0.003 0.000 2.464 436 G HA2 -0.125 3.834 3.960 -0.002 0.000 0.217 436 G HA3 -0.125 3.834 3.960 -0.002 0.000 0.217 436 G C 1.465 176.343 174.900 -0.037 0.000 1.138 436 G CA 0.216 45.307 45.100 -0.016 0.000 0.793 436 G HN 0.458 nan 8.290 nan 0.000 0.539 437 Q N -0.775 119.006 119.800 -0.032 0.000 2.378 437 Q HA 0.280 4.619 4.340 -0.002 0.000 0.216 437 Q C 1.393 177.262 176.000 -0.218 0.000 0.892 437 Q CA 0.046 55.788 55.803 -0.102 0.000 0.931 437 Q CB 0.540 29.279 28.738 0.003 0.000 1.086 437 Q HN 0.536 nan 8.270 nan 0.000 0.528 438 I N 0.783 121.275 120.570 -0.129 0.000 3.889 438 I HA -0.013 4.156 4.170 -0.002 0.000 0.332 438 I C 1.482 177.548 176.117 -0.085 0.000 1.493 438 I CA -0.029 61.194 61.300 -0.129 0.000 1.158 438 I CB 0.100 38.067 38.000 -0.054 0.000 1.117 438 I HN 0.113 nan 8.210 nan 0.000 0.411 439 Q N 1.752 121.496 119.800 -0.092 0.000 1.965 439 Q HA -0.058 4.281 4.340 -0.002 0.000 0.200 439 Q C 2.135 178.092 176.000 -0.072 0.000 0.981 439 Q CA 1.851 57.611 55.803 -0.071 0.000 0.834 439 Q CB -0.851 27.842 28.738 -0.075 0.000 0.900 439 Q HN 0.386 nan 8.270 nan 0.000 0.426 440 G N 0.039 108.771 108.800 -0.114 0.000 2.712 440 G HA2 0.161 4.120 3.960 -0.002 0.000 0.212 440 G HA3 0.161 4.120 3.960 -0.002 0.000 0.212 440 G C 1.299 176.180 174.900 -0.031 0.000 1.142 440 G CA 0.264 45.308 45.100 -0.094 0.000 0.789 440 G HN 0.478 nan 8.290 nan 0.000 0.535 441 A N -0.189 122.590 122.820 -0.069 0.000 2.235 441 A HA 0.431 4.749 4.320 -0.002 0.000 0.208 441 A C 1.889 179.462 177.584 -0.018 0.000 1.172 441 A CA 0.457 52.471 52.037 -0.039 0.000 0.786 441 A CB -0.056 18.857 19.000 -0.145 0.000 0.804 441 A HN 0.331 nan 8.150 nan 0.000 0.479 442 L N -1.624 119.591 121.223 -0.013 0.000 2.519 442 L HA 0.088 4.427 4.340 -0.002 0.000 0.194 442 L C 2.302 179.180 176.870 0.013 0.000 1.072 442 L CA 1.045 55.886 54.840 0.002 0.000 0.845 442 L CB -0.511 41.549 42.059 0.001 0.000 1.138 442 L HN 0.214 nan 8.230 nan 0.000 0.487 443 V N 0.054 119.975 119.914 0.010 0.000 2.273 443 V HA -0.059 4.060 4.120 -0.002 0.000 0.242 443 V C 2.598 178.709 176.094 0.028 0.000 1.035 443 V CA 1.824 64.135 62.300 0.017 0.000 1.013 443 V CB -1.176 30.652 31.823 0.009 0.000 0.652 443 V HN 0.508 nan 8.190 nan 0.000 0.452 444 G N 0.850 109.677 108.800 0.044 0.000 2.422 444 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.218 444 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.218 444 G C 1.574 176.507 174.900 0.054 0.000 1.146 444 G CA 1.196 46.342 45.100 0.077 0.000 0.769 444 G HN 0.688 nan 8.290 nan 0.000 0.547 445 I N -1.187 119.412 120.570 0.048 0.000 2.546 445 I HA 0.247 4.416 4.170 -0.002 0.000 0.255 445 I C 2.651 178.767 176.117 -0.002 0.000 1.163 445 I CA 1.255 62.559 61.300 0.006 0.000 1.457 445 I CB -0.107 37.896 38.000 0.006 0.000 1.092 445 I HN 0.091 nan 8.210 nan 0.000 0.434 446 A N 1.206 124.035 122.820 0.016 0.000 1.898 446 A HA -0.098 4.220 4.320 -0.002 0.000 0.216 446 A C 2.181 179.776 177.584 0.019 0.000 1.181 446 A CA 1.965 54.017 52.037 0.024 0.000 0.620 446 A CB -0.607 18.412 19.000 0.031 0.000 0.819 446 A HN 0.467 nan 8.150 nan 0.000 0.442 447 M N -0.037 119.570 119.600 0.013 0.000 2.117 447 M HA -0.133 4.346 4.480 -0.002 0.000 0.262 447 M C 2.070 178.358 176.300 -0.020 0.000 1.065 447 M CA 1.899 57.203 55.300 0.007 0.000 1.114 447 M CB -0.622 31.985 32.600 0.012 0.000 1.361 447 M HN 0.425 nan 8.290 nan 0.000 0.408 448 V N -3.311 116.577 119.914 -0.044 0.000 2.871 448 V HA -0.076 4.043 4.120 -0.002 0.000 0.256 448 V C 2.072 178.085 176.094 -0.136 0.000 1.082 448 V CA 0.996 63.243 62.300 -0.088 0.000 1.105 448 V CB -1.103 30.654 31.823 -0.109 0.000 0.713 448 V HN 0.414 nan 8.190 nan 0.000 0.473 449 L N 0.772 121.934 121.223 -0.101 0.000 2.056 449 L HA -0.111 4.228 4.340 -0.002 0.000 0.207 449 L C 2.924 179.698 176.870 -0.161 0.000 1.078 449 L CA 2.028 56.790 54.840 -0.129 0.000 0.749 449 L CB -0.543 41.531 42.059 0.025 0.000 0.901 449 L HN 0.450 nan 8.230 nan 0.000 0.433 450 S N -0.535 115.159 115.700 -0.009 0.000 2.428 450 S HA -0.054 4.415 4.470 -0.002 0.000 0.230 450 S C 1.913 176.489 174.600 -0.040 0.000 1.014 450 S CA 0.888 59.121 58.200 0.054 0.000 0.957 450 S CB -0.042 63.195 63.200 0.062 0.000 0.784 450 S HN 0.415 nan 8.310 nan 0.000 0.499 451 A N 0.625 123.389 122.820 -0.094 0.000 2.239 451 A HA 0.159 4.478 4.320 -0.002 0.000 0.209 451 A C 1.921 179.422 177.584 -0.139 0.000 1.171 451 A CA 1.100 53.087 52.037 -0.083 0.000 0.768 451 A CB -0.481 18.482 19.000 -0.061 0.000 0.790 451 A HN 0.699 nan 8.150 nan 0.000 0.478 452 V N -5.216 114.523 119.914 -0.291 0.000 3.085 452 V HA 0.183 4.302 4.120 -0.002 0.000 0.245 452 V C 1.977 177.915 176.094 -0.260 0.000 1.114 452 V CA 0.515 62.615 62.300 -0.333 0.000 1.108 452 V CB -1.102 30.436 31.823 -0.475 0.000 0.798 452 V HN 0.367 nan 8.190 nan 0.000 0.471 453 F N 0.981 120.907 119.950 -0.040 0.000 2.044 453 F HA 0.072 4.598 4.527 -0.002 0.000 0.287 453 F C 2.576 178.322 175.800 -0.089 0.000 1.155 453 F CA 1.490 59.461 58.000 -0.048 0.000 1.152 453 F CB -0.781 38.208 39.000 -0.019 0.000 1.013 453 F HN -0.123 nan 8.300 nan 0.000 0.478 454 V N 0.933 120.914 119.914 0.112 0.000 2.250 454 V HA -0.244 3.875 4.120 -0.002 0.000 0.253 454 V C -1.328 174.625 176.094 -0.235 0.000 1.065 454 V CA 1.837 64.100 62.300 -0.061 0.000 1.039 454 V CB -1.993 29.802 31.823 -0.047 0.000 0.647 454 V HN 0.176 nan 8.190 nan 0.000 0.446 455 P HA -0.026 nan 4.420 nan 0.000 0.262 455 P C 0.299 177.535 177.300 -0.107 0.000 1.647 455 P CA 1.208 64.264 63.100 -0.072 0.000 0.865 455 P CB -0.121 31.649 31.700 0.116 0.000 1.834 456 M N -1.343 118.127 119.600 -0.217 0.000 2.193 456 M HA 0.286 4.764 4.480 -0.002 0.000 0.365 456 M C 0.984 177.236 176.300 -0.079 0.000 0.877 456 M CA 0.180 55.403 55.300 -0.128 0.000 1.077 456 M CB 0.781 33.337 32.600 -0.073 0.000 1.967 456 M HN -0.049 nan 8.290 nan 0.000 0.668 457 A N 0.131 122.761 122.820 -0.317 0.000 2.359 457 A HA 0.258 4.577 4.320 -0.002 0.000 0.240 457 A C 0.150 177.346 177.584 -0.647 0.000 1.306 457 A CA 0.074 51.991 52.037 -0.201 0.000 0.898 457 A CB -0.872 17.963 19.000 -0.275 0.000 0.956 457 A HN 0.546 nan 8.150 nan 0.000 0.497 458 F N -0.799 118.991 119.950 -0.266 0.000 2.678 458 F HA 0.221 4.747 4.527 -0.002 0.000 0.305 458 F C 1.124 176.606 175.800 -0.530 0.000 1.090 458 F CA -1.882 55.837 58.000 -0.468 0.000 1.272 458 F CB -1.214 37.640 39.000 -0.244 0.000 1.060 458 F HN 0.369 nan 8.300 nan 0.000 0.576 459 F N 0.158 120.140 119.950 0.054 0.000 1.935 459 F HA -0.047 4.479 4.527 -0.002 0.000 0.114 459 F C 1.536 177.367 175.800 0.052 0.000 0.482 459 F CA 0.507 58.529 58.000 0.037 0.000 0.601 459 F CB -1.203 37.835 39.000 0.064 0.000 0.839 459 F HN -0.002 nan 8.300 nan 0.000 0.654 460 G N -1.943 107.189 108.800 0.553 0.000 3.267 460 G HA2 0.523 4.482 3.960 -0.002 0.000 0.200 460 G HA3 0.523 4.482 3.960 -0.002 0.000 0.200 460 G C 0.675 175.813 174.900 0.397 0.000 1.603 460 G CA -0.147 45.149 45.100 0.327 0.000 0.753 460 G HN 1.186 nan 8.290 nan 0.000 0.755 461 G N -1.226 107.744 108.800 0.283 0.000 2.647 461 G HA2 0.163 4.122 3.960 -0.002 0.000 0.212 461 G HA3 0.163 4.122 3.960 -0.002 0.000 0.212 461 G C 1.491 176.479 174.900 0.147 0.000 1.540 461 G CA 1.381 46.611 45.100 0.217 0.000 0.608 461 G HN 0.469 nan 8.290 nan 0.000 1.094 462 S N 0.395 116.187 115.700 0.153 0.000 2.421 462 S HA 0.040 4.509 4.470 -0.002 0.000 0.224 462 S C 1.879 176.545 174.600 0.109 0.000 1.035 462 S CA 1.285 59.555 58.200 0.116 0.000 0.953 462 S CB 0.040 63.318 63.200 0.130 0.000 0.810 462 S HN 0.356 nan 8.310 nan 0.000 0.497 463 T N 2.385 117.060 114.554 0.203 0.000 3.658 463 T HA 0.296 4.645 4.350 -0.002 0.000 0.250 463 T C 1.331 176.067 174.700 0.061 0.000 1.060 463 T CA 0.522 62.768 62.100 0.243 0.000 0.962 463 T CB -1.450 67.680 68.868 0.436 0.000 1.075 463 T HN 0.426 nan 8.240 nan 0.000 0.610 464 G N 1.680 110.480 108.800 -0.000 0.000 2.664 464 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.595 464 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.595 464 G C 0.772 175.386 174.900 -0.477 0.000 1.190 464 G CA 0.483 45.504 45.100 -0.131 0.000 0.891 464 G HN 1.188 nan 8.290 nan 0.000 0.663 465 A N -0.860 121.573 122.820 -0.645 0.000 3.106 465 A HA 0.604 4.923 4.320 -0.002 0.000 0.306 465 A C 1.629 178.854 177.584 -0.599 0.000 1.192 465 A CA -0.066 51.306 52.037 -1.108 0.000 0.994 465 A CB -0.026 18.408 19.000 -0.943 0.000 1.107 465 A HN 0.449 nan 8.150 nan 0.000 0.585 466 I N -1.156 119.160 120.570 -0.424 0.000 2.546 466 I HA -0.168 4.001 4.170 -0.002 0.000 0.255 466 I C 1.491 177.321 176.117 -0.478 0.000 1.163 466 I CA 1.605 62.668 61.300 -0.396 0.000 1.457 466 I CB -1.228 36.538 38.000 -0.390 0.000 1.092 466 I HN 0.607 nan 8.210 nan 0.000 0.434 467 Y N 0.213 120.382 120.300 -0.218 0.000 2.517 467 Y HA 0.112 4.661 4.550 -0.002 0.000 0.281 467 Y C 2.506 178.298 175.900 -0.179 0.000 1.125 467 Y CA 0.273 58.288 58.100 -0.143 0.000 1.283 467 Y CB -0.158 38.260 38.460 -0.071 0.000 1.042 467 Y HN 0.006 nan 8.280 nan 0.000 0.547 468 R N 0.280 120.652 120.500 -0.212 0.000 2.317 468 R HA -0.010 4.329 4.340 -0.002 0.000 0.208 468 R C 1.027 176.867 176.300 -0.767 0.000 0.914 468 R CA 0.143 56.014 56.100 -0.381 0.000 1.060 468 R CB 0.221 30.322 30.300 -0.331 0.000 1.015 468 R HN 0.169 nan 8.270 nan 0.000 0.498 469 Q N -0.234 119.256 119.800 -0.515 0.000 2.541 469 Q HA -0.002 4.336 4.340 -0.002 0.000 0.215 469 Q C -0.884 175.095 176.000 -0.035 0.000 0.977 469 Q CA 0.752 56.326 55.803 -0.382 0.000 0.934 469 Q CB 0.133 28.785 28.738 -0.144 0.000 0.988 469 Q HN 0.193 nan 8.270 nan 0.000 0.521 470 F N -1.865 118.038 119.950 -0.078 0.000 3.608 470 F HA -0.010 4.516 4.527 -0.002 0.000 0.333 470 F C 0.428 176.150 175.800 -0.129 0.000 0.908 470 F CA -0.363 57.571 58.000 -0.110 0.000 1.598 470 F CB -0.192 38.730 39.000 -0.129 0.000 1.904 470 F HN -0.303 nan 8.300 nan 0.000 0.867 471 S N 1.520 117.242 115.700 0.037 0.000 2.522 471 S HA 0.067 4.536 4.470 -0.002 0.000 0.227 471 S C 1.686 176.345 174.600 0.098 0.000 0.986 471 S CA 0.584 58.830 58.200 0.075 0.000 0.929 471 S CB 0.299 63.500 63.200 0.002 0.000 0.769 471 S HN 0.471 nan 8.310 nan 0.000 0.529 472 I N 0.319 121.043 120.570 0.256 0.000 3.136 472 I HA 0.057 4.226 4.170 -0.002 0.000 0.262 472 I C 2.183 178.294 176.117 -0.011 0.000 1.132 472 I CA 0.873 62.288 61.300 0.193 0.000 1.450 472 I CB -1.944 36.169 38.000 0.188 0.000 1.315 472 I HN 0.096 nan 8.210 nan 0.000 0.460 473 T N 2.678 117.073 114.554 -0.266 0.000 2.699 473 T HA -0.105 4.244 4.350 -0.002 0.000 0.268 473 T C 2.015 176.501 174.700 -0.357 0.000 1.036 473 T CA 1.633 63.340 62.100 -0.655 0.000 1.147 473 T CB -0.349 67.840 68.868 -1.131 0.000 0.862 473 T HN 0.234 nan 8.240 nan 0.000 0.446 474 I N 0.517 120.897 120.570 -0.317 0.000 2.614 474 I HA -0.082 4.087 4.170 -0.002 0.000 0.258 474 I C 2.160 178.119 176.117 -0.264 0.000 1.189 474 I CA 0.631 61.691 61.300 -0.400 0.000 1.462 474 I CB -0.269 37.256 38.000 -0.793 0.000 1.092 474 I HN 0.116 nan 8.210 nan 0.000 0.442 475 V N -0.586 119.236 119.914 -0.154 0.000 2.575 475 V HA -0.086 4.033 4.120 -0.002 0.000 0.242 475 V C 2.288 178.352 176.094 -0.050 0.000 1.045 475 V CA 1.277 63.571 62.300 -0.010 0.000 1.065 475 V CB 0.095 31.957 31.823 0.065 0.000 0.717 475 V HN 0.288 nan 8.190 nan 0.000 0.467 476 S N 0.380 116.013 115.700 -0.111 0.000 2.500 476 S HA -0.039 4.430 4.470 -0.002 0.000 0.239 476 S C 1.839 176.362 174.600 -0.129 0.000 0.989 476 S CA 1.225 59.355 58.200 -0.116 0.000 0.951 476 S CB -0.115 62.978 63.200 -0.179 0.000 0.759 476 S HN 0.632 nan 8.310 nan 0.000 0.523 477 A N 0.280 123.011 122.820 -0.148 0.000 2.108 477 A HA 0.326 4.645 4.320 -0.002 0.000 0.206 477 A C 1.847 179.390 177.584 -0.068 0.000 1.212 477 A CA 0.068 52.025 52.037 -0.133 0.000 0.843 477 A CB -0.262 18.629 19.000 -0.182 0.000 0.902 477 A HN 0.407 nan 8.150 nan 0.000 0.477 478 M N 0.558 120.134 119.600 -0.041 0.000 2.081 478 M HA -0.006 4.473 4.480 -0.002 0.000 0.261 478 M C 2.150 178.463 176.300 0.022 0.000 1.075 478 M CA 2.097 57.407 55.300 0.017 0.000 1.133 478 M CB -0.855 31.793 32.600 0.081 0.000 1.330 478 M HN 0.354 nan 8.290 nan 0.000 0.414 479 A N 0.754 123.587 122.820 0.021 0.000 2.015 479 A HA -0.097 4.222 4.320 -0.002 0.000 0.219 479 A C 2.101 179.696 177.584 0.019 0.000 1.163 479 A CA 0.918 52.971 52.037 0.026 0.000 0.646 479 A CB -0.830 18.190 19.000 0.032 0.000 0.806 479 A HN 0.573 nan 8.150 nan 0.000 0.448 480 L N -0.382 120.841 121.223 0.001 0.000 2.072 480 L HA -0.083 4.256 4.340 -0.002 0.000 0.205 480 L C 2.638 179.509 176.870 0.002 0.000 1.079 480 L CA 2.285 57.123 54.840 -0.003 0.000 0.752 480 L CB -0.856 41.185 42.059 -0.031 0.000 0.906 480 L HN 0.489 nan 8.230 nan 0.000 0.436 481 S N -0.791 114.908 115.700 -0.002 0.000 2.355 481 S HA -0.123 4.346 4.470 -0.002 0.000 0.222 481 S C 1.963 176.575 174.600 0.021 0.000 1.031 481 S CA 1.344 59.549 58.200 0.008 0.000 0.993 481 S CB -0.123 63.081 63.200 0.007 0.000 0.859 481 S HN 0.276 nan 8.310 nan 0.000 0.453 482 V N 2.141 122.069 119.914 0.024 0.000 2.867 482 V HA -0.069 4.050 4.120 -0.002 0.000 0.260 482 V C 2.261 178.373 176.094 0.030 0.000 1.099 482 V CA 1.108 63.425 62.300 0.028 0.000 1.122 482 V CB -0.511 31.329 31.823 0.029 0.000 0.708 482 V HN 0.463 nan 8.190 nan 0.000 0.490 483 L N -0.968 120.274 121.223 0.031 0.000 2.221 483 L HA 0.105 4.443 4.340 -0.002 0.000 0.202 483 L C 2.318 179.213 176.870 0.042 0.000 1.074 483 L CA 1.444 56.307 54.840 0.038 0.000 0.795 483 L CB -0.132 41.950 42.059 0.038 0.000 0.960 483 L HN 0.186 nan 8.230 nan 0.000 0.458 484 V N 0.485 120.421 119.914 0.036 0.000 2.323 484 V HA -0.092 4.027 4.120 -0.002 0.000 0.244 484 V C 2.187 178.311 176.094 0.050 0.000 1.041 484 V CA 1.339 63.665 62.300 0.043 0.000 1.025 484 V CB -0.774 31.069 31.823 0.033 0.000 0.656 484 V HN 0.459 nan 8.190 nan 0.000 0.451 485 A N -1.410 121.435 122.820 0.041 0.000 2.281 485 A HA 0.255 4.574 4.320 -0.002 0.000 0.231 485 A C 1.548 179.156 177.584 0.040 0.000 1.317 485 A CA 0.801 52.863 52.037 0.042 0.000 0.959 485 A CB -0.321 18.700 19.000 0.036 0.000 0.900 485 A HN 0.535 nan 8.150 nan 0.000 0.497 486 L N -2.309 118.941 121.223 0.045 0.000 2.860 486 L HA 0.249 4.588 4.340 -0.002 0.000 0.251 486 L C 1.427 178.331 176.870 0.056 0.000 1.041 486 L CA 0.191 55.058 54.840 0.044 0.000 0.985 486 L CB 0.234 42.316 42.059 0.039 0.000 1.656 486 L HN 0.224 nan 8.230 nan 0.000 0.526 487 I N -0.240 120.371 120.570 0.068 0.000 2.364 487 I HA -0.068 4.101 4.170 -0.002 0.000 0.241 487 I C 2.148 178.325 176.117 0.099 0.000 1.082 487 I CA 1.082 62.437 61.300 0.092 0.000 1.401 487 I CB -0.694 37.367 38.000 0.101 0.000 1.126 487 I HN 0.245 nan 8.210 nan 0.000 0.429 488 L N 0.689 121.969 121.223 0.095 0.000 1.995 488 L HA -0.091 4.248 4.340 -0.002 0.000 0.206 488 L C 2.508 179.431 176.870 0.088 0.000 1.098 488 L CA 2.149 57.058 54.840 0.115 0.000 0.762 488 L CB -1.116 41.021 42.059 0.130 0.000 0.900 488 L HN 0.173 nan 8.230 nan 0.000 0.441 489 T N 0.804 115.403 114.554 0.075 0.000 2.594 489 T HA -0.214 4.135 4.350 -0.002 0.000 0.266 489 T C -0.438 174.285 174.700 0.038 0.000 1.070 489 T CA 2.428 64.562 62.100 0.056 0.000 1.166 489 T CB -1.817 67.080 68.868 0.050 0.000 0.862 489 T HN 0.308 nan 8.240 nan 0.000 0.436 490 P HA -0.158 nan 4.420 nan 0.000 0.217 490 P C 1.507 178.818 177.300 0.018 0.000 1.158 490 P CA 1.829 64.946 63.100 0.029 0.000 0.887 490 P CB -0.293 31.428 31.700 0.034 0.000 0.792 491 A N -1.347 121.488 122.820 0.024 0.000 1.968 491 A HA -0.079 4.240 4.320 -0.002 0.000 0.217 491 A C 2.209 179.765 177.584 -0.046 0.000 1.169 491 A CA 1.050 53.089 52.037 0.004 0.000 0.638 491 A CB -1.431 17.590 19.000 0.036 0.000 0.812 491 A HN 0.129 nan 8.150 nan 0.000 0.446 492 L N -0.850 120.346 121.223 -0.044 0.000 2.291 492 L HA -0.165 4.174 4.340 -0.002 0.000 0.214 492 L C 2.196 179.030 176.870 -0.059 0.000 1.120 492 L CA 0.559 55.343 54.840 -0.092 0.000 0.799 492 L CB -0.361 41.675 42.059 -0.038 0.000 0.925 492 L HN 0.475 nan 8.230 nan 0.000 0.446 493 C N -0.626 118.660 119.300 -0.024 0.000 2.448 493 C HA 0.008 4.467 4.460 -0.002 0.000 0.280 493 C C 2.903 177.880 174.990 -0.022 0.000 1.398 493 C CA 0.643 59.653 59.018 -0.014 0.000 1.774 493 C CB -0.860 26.882 27.740 0.003 0.000 1.888 493 C HN 0.590 nan 8.230 nan 0.000 0.519 494 A N 1.198 123.999 122.820 -0.032 0.000 1.975 494 A HA -0.044 4.275 4.320 -0.002 0.000 0.215 494 A C 2.230 179.784 177.584 -0.050 0.000 1.170 494 A CA 1.915 53.933 52.037 -0.032 0.000 0.656 494 A CB -0.812 18.173 19.000 -0.024 0.000 0.821 494 A HN 0.627 nan 8.150 nan 0.000 0.449 495 T N -2.874 111.629 114.554 -0.084 0.000 2.643 495 T HA 0.122 4.471 4.350 -0.002 0.000 0.256 495 T C 0.797 175.448 174.700 -0.081 0.000 1.061 495 T CA 0.797 62.830 62.100 -0.112 0.000 1.163 495 T CB -0.192 68.547 68.868 -0.215 0.000 0.865 495 T HN 0.124 nan 8.240 nan 0.000 0.407 496 M N 1.832 121.386 119.600 -0.077 0.000 2.243 496 M HA 0.755 5.234 4.480 -0.002 0.000 0.324 496 M C -1.416 174.874 176.300 -0.017 0.000 1.031 496 M CA -0.902 54.376 55.300 -0.037 0.000 0.949 496 M CB 1.355 33.939 32.600 -0.027 0.000 1.615 496 M HN 0.423 nan 8.290 nan 0.000 0.430 497 L N 3.595 124.815 121.223 -0.006 0.000 3.189 497 L HA 0.254 4.593 4.340 -0.002 0.000 0.244 497 L C -0.808 176.062 176.870 0.001 0.000 0.980 497 L CA -0.098 54.742 54.840 -0.001 0.000 1.035 497 L CB 1.155 43.211 42.059 -0.005 0.000 1.625 497 L HN 0.815 nan 8.230 nan 0.000 0.447 514 G N -0.223 108.389 108.800 -0.314 0.000 4.379 514 G HA2 0.246 4.205 3.960 -0.002 0.000 0.243 514 G HA3 0.246 4.205 3.960 -0.002 0.000 0.243 514 G C -0.493 174.232 174.900 -0.292 0.000 1.009 514 G CA -0.467 44.517 45.100 -0.193 0.000 0.646 514 G HN 0.469 nan 8.290 nan 0.000 0.475 515 W N 0.210 121.297 121.300 -0.356 0.000 2.576 515 W HA 0.145 4.804 4.660 -0.002 0.000 0.270 515 W C 1.461 177.749 176.519 -0.385 0.000 1.255 515 W CA 0.155 57.235 57.345 -0.442 0.000 1.314 515 W CB -0.525 28.564 29.460 -0.618 0.000 1.101 515 W HN 0.493 nan 8.180 nan 0.000 0.595 516 F N 1.092 121.182 119.950 0.233 0.000 2.325 516 F HA -0.051 4.475 4.527 -0.002 0.000 0.299 516 F C 1.764 177.735 175.800 0.286 0.000 1.090 516 F CA 0.906 59.041 58.000 0.225 0.000 1.392 516 F CB -1.429 37.730 39.000 0.265 0.000 1.053 516 F HN -0.095 nan 8.300 nan 0.000 0.521 517 N N 0.407 119.293 118.700 0.310 0.000 2.364 517 N HA -0.156 4.583 4.740 -0.002 0.000 0.183 517 N C 1.796 177.413 175.510 0.178 0.000 1.022 517 N CA 0.376 53.557 53.050 0.218 0.000 0.883 517 N CB -0.185 38.360 38.487 0.097 0.000 0.965 517 N HN 0.245 nan 8.380 nan 0.000 0.438 518 R N 0.560 121.135 120.500 0.125 0.000 2.236 518 R HA 0.055 4.394 4.340 -0.002 0.000 0.208 518 R C 1.697 178.024 176.300 0.044 0.000 1.036 518 R CA 0.838 56.976 56.100 0.064 0.000 1.001 518 R CB 0.232 30.552 30.300 0.033 0.000 0.896 518 R HN 0.312 nan 8.270 nan 0.000 0.464 519 M N -3.182 116.453 119.600 0.057 0.000 2.260 519 M HA 0.171 4.650 4.480 -0.002 0.000 0.326 519 M C 0.513 176.815 176.300 0.004 0.000 0.930 519 M CA 0.610 55.905 55.300 -0.008 0.000 1.051 519 M CB -0.255 32.279 32.600 -0.109 0.000 1.748 519 M HN -0.101 nan 8.290 nan 0.000 0.606 520 F N 2.579 122.566 119.950 0.061 0.000 2.234 520 F HA 0.015 4.541 4.527 -0.002 0.000 0.299 520 F C 2.529 178.382 175.800 0.089 0.000 1.087 520 F CA 1.715 59.760 58.000 0.076 0.000 1.340 520 F CB 0.085 39.129 39.000 0.073 0.000 1.031 520 F HN 0.327 nan 8.300 nan 0.000 0.500 521 E N -0.102 120.257 120.200 0.265 0.000 2.285 521 E HA -0.166 4.183 4.350 -0.002 0.000 0.194 521 E C 1.766 178.505 176.600 0.231 0.000 0.997 521 E CA 0.637 57.170 56.400 0.222 0.000 0.845 521 E CB 0.171 29.974 29.700 0.172 0.000 0.782 521 E HN 0.135 nan 8.360 nan 0.000 0.491 522 K N -0.332 120.156 120.400 0.147 0.000 2.243 522 K HA 0.084 4.403 4.320 -0.002 0.000 0.201 522 K C 1.955 178.665 176.600 0.184 0.000 1.051 522 K CA 0.618 56.980 56.287 0.126 0.000 0.970 522 K CB 0.197 32.708 32.500 0.018 0.000 0.755 522 K HN -0.078 nan 8.250 nan 0.000 0.465 523 S N -0.087 115.705 115.700 0.153 0.000 2.357 523 S HA -0.023 4.446 4.470 -0.002 0.000 0.221 523 S C 0.681 175.417 174.600 0.226 0.000 1.031 523 S CA 0.965 59.282 58.200 0.194 0.000 0.982 523 S CB -0.094 63.147 63.200 0.069 0.000 0.853 523 S HN 0.297 nan 8.310 nan 0.000 0.458 524 T N 0.752 115.429 114.554 0.206 0.000 2.909 524 T HA 0.351 4.700 4.350 -0.002 0.000 0.289 524 T C 0.571 175.398 174.700 0.211 0.000 1.005 524 T CA 0.094 62.300 62.100 0.177 0.000 1.084 524 T CB 1.027 69.995 68.868 0.167 0.000 0.975 524 T HN 0.505 nan 8.240 nan 0.000 0.509 525 H N 1.698 120.775 119.070 0.013 0.000 4.260 525 H HA -0.351 4.204 4.556 -0.002 0.000 0.078 525 H C 1.303 176.581 175.328 -0.083 0.000 0.535 525 H CA 2.988 58.995 56.048 -0.069 0.000 1.394 525 H CB -1.464 28.224 29.762 -0.124 0.000 1.441 525 H HN 0.939 nan 8.280 nan 0.000 0.867 526 H N -1.696 117.350 119.070 -0.040 0.000 2.560 526 H HA 0.031 4.586 4.556 -0.002 0.000 0.283 526 H C 1.367 176.700 175.328 0.009 0.000 1.028 526 H CA 1.449 57.449 56.048 -0.079 0.000 1.221 526 H CB 0.156 29.937 29.762 0.032 0.000 1.363 526 H HN 0.470 nan 8.280 nan 0.000 0.594 527 Y N -1.627 118.655 120.300 -0.029 0.000 3.199 527 Y HA 0.016 4.565 4.550 -0.002 0.000 0.211 527 Y C 2.243 178.095 175.900 -0.079 0.000 0.959 527 Y CA 0.738 58.815 58.100 -0.039 0.000 1.528 527 Y CB 0.177 38.671 38.460 0.057 0.000 1.487 527 Y HN -0.083 nan 8.280 nan 0.000 0.403 528 T N 1.278 115.726 114.554 -0.176 0.000 2.652 528 T HA -0.141 4.208 4.350 -0.002 0.000 0.267 528 T C 1.046 175.597 174.700 -0.249 0.000 1.039 528 T CA 2.043 63.965 62.100 -0.296 0.000 1.153 528 T CB -0.343 68.451 68.868 -0.123 0.000 0.863 528 T HN 0.335 nan 8.240 nan 0.000 0.428 529 D N 0.487 120.803 120.400 -0.141 0.000 2.317 529 D HA 0.047 4.686 4.640 -0.002 0.000 0.211 529 D C 2.218 178.405 176.300 -0.187 0.000 0.966 529 D CA 0.427 54.363 54.000 -0.107 0.000 0.876 529 D CB -0.318 40.520 40.800 0.063 0.000 0.927 529 D HN 0.278 nan 8.370 nan 0.000 0.519 530 S N -0.133 115.402 115.700 -0.274 0.000 2.387 530 S HA -0.074 4.395 4.470 -0.002 0.000 0.226 530 S C 2.058 176.513 174.600 -0.243 0.000 1.026 530 S CA 0.427 58.455 58.200 -0.286 0.000 0.972 530 S CB -0.046 62.961 63.200 -0.322 0.000 0.814 530 S HN -0.000 nan 8.310 nan 0.000 0.477 531 V N 1.564 121.293 119.914 -0.308 0.000 2.407 531 V HA -0.071 4.047 4.120 -0.002 0.000 0.248 531 V C 2.675 178.629 176.094 -0.234 0.000 1.055 531 V CA 1.802 63.914 62.300 -0.313 0.000 1.049 531 V CB -1.392 30.050 31.823 -0.634 0.000 0.662 531 V HN 0.625 nan 8.190 nan 0.000 0.455 532 G N 0.002 108.672 108.800 -0.218 0.000 2.432 532 G HA2 -0.168 3.790 3.960 -0.002 0.000 0.219 532 G HA3 -0.168 3.790 3.960 -0.002 0.000 0.219 532 G C 1.603 176.450 174.900 -0.089 0.000 1.135 532 G CA 0.926 45.937 45.100 -0.148 0.000 0.767 532 G HN 0.584 nan 8.290 nan 0.000 0.550 533 G N 1.517 110.272 108.800 -0.075 0.000 2.422 533 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.218 533 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.218 533 G C 1.771 176.706 174.900 0.059 0.000 1.146 533 G CA 1.067 46.159 45.100 -0.015 0.000 0.769 533 G HN 0.554 nan 8.290 nan 0.000 0.547 534 I N -0.167 120.447 120.570 0.073 0.000 2.406 534 I HA 0.029 4.198 4.170 -0.002 0.000 0.249 534 I C 2.224 178.435 176.117 0.157 0.000 1.122 534 I CA 1.100 62.529 61.300 0.215 0.000 1.431 534 I CB -0.816 37.278 38.000 0.156 0.000 1.087 534 I HN 0.152 nan 8.210 nan 0.000 0.424 535 L N -0.191 120.989 121.223 -0.070 0.000 2.599 535 L HA 0.281 4.620 4.340 -0.002 0.000 0.230 535 L C 2.395 179.206 176.870 -0.098 0.000 1.141 535 L CA 0.874 55.570 54.840 -0.240 0.000 0.877 535 L CB -1.212 40.630 42.059 -0.361 0.000 1.009 535 L HN 0.077 nan 8.230 nan 0.000 0.447 536 R N 0.385 120.869 120.500 -0.026 0.000 2.236 536 R HA -0.026 4.313 4.340 -0.002 0.000 0.208 536 R C 1.771 178.095 176.300 0.039 0.000 1.036 536 R CA 1.062 57.161 56.100 -0.002 0.000 1.001 536 R CB 0.193 30.495 30.300 0.004 0.000 0.896 536 R HN 0.721 nan 8.270 nan 0.000 0.464 537 S N -2.815 112.941 115.700 0.093 0.000 2.931 537 S HA 0.152 4.621 4.470 -0.002 0.000 0.251 537 S C 1.054 175.763 174.600 0.181 0.000 1.078 537 S CA 0.492 58.774 58.200 0.138 0.000 0.835 537 S CB 0.560 63.871 63.200 0.185 0.000 0.798 537 S HN 0.237 nan 8.310 nan 0.000 0.495 538 T N 1.782 116.506 114.554 0.284 0.000 13.157 538 T HA -0.297 4.052 4.350 -0.002 0.000 0.419 538 T C 1.635 176.655 174.700 0.533 0.000 1.441 538 T CA 2.249 64.586 62.100 0.395 0.000 2.364 538 T CB -2.190 66.742 68.868 0.107 0.000 2.813 538 T HN 0.942 nan 8.240 nan 0.000 0.644 539 G N 1.267 110.237 108.800 0.282 0.000 2.550 539 G HA2 -0.376 3.583 3.960 -0.002 0.000 0.222 539 G HA3 -0.376 3.583 3.960 -0.002 0.000 0.222 539 G C 1.193 176.181 174.900 0.147 0.000 1.113 539 G CA 1.881 47.099 45.100 0.197 0.000 0.748 539 G HN 0.761 nan 8.290 nan 0.000 0.585 540 R N -0.891 119.667 120.500 0.097 0.000 2.237 540 R HA -0.007 4.331 4.340 -0.002 0.000 0.219 540 R C 1.102 177.225 176.300 -0.294 0.000 1.080 540 R CA 0.747 56.763 56.100 -0.139 0.000 0.995 540 R CB -0.159 29.978 30.300 -0.271 0.000 0.875 540 R HN 0.555 nan 8.270 nan 0.000 0.462 541 Y N -1.293 119.068 120.300 0.102 0.000 2.507 541 Y HA 0.071 4.620 4.550 -0.002 0.000 0.254 541 Y C 1.210 177.110 175.900 -0.000 0.000 1.171 541 Y CA -0.419 57.672 58.100 -0.016 0.000 1.238 541 Y CB 0.464 38.782 38.460 -0.236 0.000 1.148 541 Y HN 0.041 nan 8.280 nan 0.000 0.525 542 L N -0.942 120.383 121.223 0.170 0.000 2.109 542 L HA -0.038 4.301 4.340 -0.002 0.000 0.207 542 L C 1.904 178.852 176.870 0.131 0.000 1.086 542 L CA 1.434 56.367 54.840 0.154 0.000 0.760 542 L CB -0.197 41.943 42.059 0.135 0.000 0.910 542 L HN 0.155 nan 8.230 nan 0.000 0.437 543 V N -1.598 118.359 119.914 0.071 0.000 3.431 543 V HA 0.037 4.156 4.120 -0.002 0.000 0.253 543 V C 2.033 178.132 176.094 0.008 0.000 1.184 543 V CA 0.591 62.911 62.300 0.034 0.000 1.104 543 V CB 0.608 32.434 31.823 0.005 0.000 0.799 543 V HN 0.410 nan 8.190 nan 0.000 0.462 544 L N -0.331 120.892 121.223 0.000 0.000 2.093 544 L HA -0.091 4.248 4.340 -0.002 0.000 0.208 544 L C 2.200 179.086 176.870 0.027 0.000 1.085 544 L CA 2.393 57.217 54.840 -0.027 0.000 0.755 544 L CB -0.670 41.333 42.059 -0.093 0.000 0.904 544 L HN 0.584 nan 8.230 nan 0.000 0.435 545 Y N -0.672 119.604 120.300 -0.040 0.000 2.242 545 Y HA -0.170 4.379 4.550 -0.002 0.000 0.291 545 Y C 2.082 177.961 175.900 -0.034 0.000 1.137 545 Y CA 1.604 59.677 58.100 -0.045 0.000 1.181 545 Y CB -0.213 38.218 38.460 -0.049 0.000 0.989 545 Y HN 0.129 nan 8.280 nan 0.000 0.527 546 L N -0.701 120.462 121.223 -0.100 0.000 2.201 546 L HA -0.161 4.178 4.340 -0.002 0.000 0.212 546 L C 2.084 178.864 176.870 -0.149 0.000 1.105 546 L CA 0.675 55.413 54.840 -0.169 0.000 0.775 546 L CB -0.355 41.680 42.059 -0.039 0.000 0.913 546 L HN 0.236 nan 8.230 nan 0.000 0.440 547 I N -0.356 120.152 120.570 -0.104 0.000 2.439 547 I HA -0.243 3.926 4.170 -0.002 0.000 0.251 547 I C 2.133 178.189 176.117 -0.101 0.000 1.139 547 I CA 1.436 62.684 61.300 -0.087 0.000 1.438 547 I CB -0.031 37.929 38.000 -0.066 0.000 1.085 547 I HN 0.103 nan 8.210 nan 0.000 0.427 548 I N -1.428 119.056 120.570 -0.143 0.000 2.333 548 I HA -0.181 3.988 4.170 -0.002 0.000 0.246 548 I C 2.335 178.339 176.117 -0.189 0.000 1.106 548 I CA 0.620 61.835 61.300 -0.140 0.000 1.411 548 I CB -0.265 37.662 38.000 -0.121 0.000 1.082 548 I HN -0.063 nan 8.210 nan 0.000 0.420 549 V N 0.422 120.135 119.914 -0.336 0.000 2.307 549 V HA -0.205 3.914 4.120 -0.002 0.000 0.245 549 V C 2.352 178.343 176.094 -0.172 0.000 1.045 549 V CA 1.549 63.655 62.300 -0.324 0.000 1.024 549 V CB -0.264 31.264 31.823 -0.491 0.000 0.651 549 V HN 0.224 nan 8.190 nan 0.000 0.449 550 V N 0.755 120.588 119.914 -0.134 0.000 2.667 550 V HA -0.055 4.064 4.120 -0.002 0.000 0.252 550 V C 2.544 178.635 176.094 -0.005 0.000 1.065 550 V CA 1.715 63.979 62.300 -0.061 0.000 1.083 550 V CB -1.109 30.681 31.823 -0.056 0.000 0.692 550 V HN 0.601 nan 8.190 nan 0.000 0.468 551 G N 0.935 109.724 108.800 -0.018 0.000 2.408 551 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.217 551 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.217 551 G C 1.600 176.561 174.900 0.102 0.000 1.150 551 G CA 1.160 46.285 45.100 0.041 0.000 0.776 551 G HN 0.615 nan 8.290 nan 0.000 0.542 552 M N -0.053 119.572 119.600 0.042 0.000 2.349 552 M HA 0.429 4.908 4.480 -0.002 0.000 0.266 552 M C 2.480 178.835 176.300 0.091 0.000 1.076 552 M CA 1.406 56.746 55.300 0.066 0.000 1.126 552 M CB -0.062 32.544 32.600 0.010 0.000 1.392 552 M HN 0.093 nan 8.290 nan 0.000 0.440 553 A N 0.093 122.943 122.820 0.050 0.000 2.015 553 A HA -0.145 4.174 4.320 -0.002 0.000 0.219 553 A C 2.039 179.722 177.584 0.165 0.000 1.163 553 A CA 1.280 53.352 52.037 0.058 0.000 0.646 553 A CB -1.063 17.940 19.000 0.005 0.000 0.806 553 A HN 0.771 nan 8.150 nan 0.000 0.448 554 Y N 0.230 120.565 120.300 0.058 0.000 2.269 554 Y HA 0.091 4.640 4.550 -0.002 0.000 0.294 554 Y C 1.593 177.547 175.900 0.089 0.000 1.120 554 Y CA 1.275 59.413 58.100 0.063 0.000 1.159 554 Y CB -0.192 38.290 38.460 0.036 0.000 1.024 554 Y HN 0.152 nan 8.280 nan 0.000 0.532 555 L N -0.404 120.810 121.223 -0.016 0.000 2.622 555 L HA -0.079 4.260 4.340 -0.002 0.000 0.233 555 L C 1.572 178.441 176.870 -0.001 0.000 1.156 555 L CA 0.630 55.417 54.840 -0.087 0.000 0.866 555 L CB -0.496 41.613 42.059 0.083 0.000 0.980 555 L HN 0.288 nan 8.230 nan 0.000 0.448 556 F N -0.758 119.138 119.950 -0.091 0.000 2.383 556 F HA 0.016 4.542 4.527 -0.002 0.000 0.287 556 F C 2.017 177.778 175.800 -0.065 0.000 1.069 556 F CA 0.671 58.647 58.000 -0.041 0.000 1.402 556 F CB 0.260 39.252 39.000 -0.014 0.000 1.116 556 F HN -0.259 nan 8.300 nan 0.000 0.549 557 V N 0.321 120.266 119.914 0.052 0.000 2.591 557 V HA -0.110 4.009 4.120 -0.002 0.000 0.249 557 V C 2.263 178.276 176.094 -0.134 0.000 1.053 557 V CA 1.488 63.775 62.300 -0.022 0.000 1.068 557 V CB -0.586 31.270 31.823 0.056 0.000 0.689 557 V HN 0.141 nan 8.190 nan 0.000 0.462 558 R N 0.359 120.718 120.500 -0.234 0.000 2.148 558 R HA -0.002 4.337 4.340 -0.002 0.000 0.227 558 R C 0.803 176.973 176.300 -0.218 0.000 1.103 558 R CA 0.603 56.540 56.100 -0.272 0.000 0.983 558 R CB -0.706 29.290 30.300 -0.507 0.000 0.874 558 R HN 0.421 nan 8.270 nan 0.000 0.451 559 L N 2.937 124.019 121.223 -0.236 0.000 2.410 559 L HA 0.255 4.594 4.340 -0.002 0.000 0.273 559 L C -2.028 174.712 176.870 -0.216 0.000 1.144 559 L CA -1.754 52.946 54.840 -0.233 0.000 0.863 559 L CB 0.493 42.384 42.059 -0.280 0.000 1.140 559 L HN 0.125 nan 8.230 nan 0.000 0.463 560 P HA 0.085 nan 4.420 nan 0.000 0.274 560 P C -0.091 177.136 177.300 -0.121 0.000 1.260 560 P CA -0.356 62.671 63.100 -0.121 0.000 0.793 560 P CB 0.897 32.545 31.700 -0.087 0.000 1.048 561 S N 0.215 115.872 115.700 -0.072 0.000 2.320 561 S HA 0.161 4.630 4.470 -0.002 0.000 0.180 561 S C 0.358 174.947 174.600 -0.019 0.000 1.145 561 S CA 1.208 59.379 58.200 -0.050 0.000 1.444 561 S CB -0.748 62.443 63.200 -0.014 0.000 0.843 561 S HN 0.915 nan 8.310 nan 0.000 0.406 562 S N -1.835 113.885 115.700 0.033 0.000 3.099 562 S HA -0.131 4.338 4.470 -0.002 0.000 0.855 562 S C -0.285 174.371 174.600 0.094 0.000 1.015 562 S CA 0.440 58.691 58.200 0.084 0.000 1.280 562 S CB -1.562 61.674 63.200 0.059 0.000 0.907 562 S HN 0.488 nan 8.310 nan 0.000 0.246 563 F N 2.905 122.876 119.950 0.034 0.000 2.324 563 F HA 0.615 5.141 4.527 -0.002 0.000 0.260 563 F C 0.917 176.717 175.800 -0.000 0.000 1.073 563 F CA 0.542 58.557 58.000 0.024 0.000 1.073 563 F CB 0.154 39.161 39.000 0.012 0.000 1.114 563 F HN 0.594 nan 8.300 nan 0.000 0.588 564 L N 1.546 122.940 121.223 0.285 0.000 2.381 564 L HA 0.476 4.815 4.340 -0.002 0.000 0.274 564 L C -2.414 174.578 176.870 0.203 0.000 0.988 564 L CA -2.053 52.896 54.840 0.181 0.000 0.824 564 L CB 1.249 43.395 42.059 0.144 0.000 1.263 564 L HN -0.060 nan 8.230 nan 0.000 0.410 565 P HA 0.040 nan 4.420 nan 0.000 0.264 565 P C -1.159 176.237 177.300 0.160 0.000 1.183 565 P CA -0.083 63.132 63.100 0.191 0.000 0.763 565 P CB 0.322 32.148 31.700 0.210 0.000 0.807 566 D N 1.728 122.198 120.400 0.116 0.000 2.349 566 D HA 0.138 4.777 4.640 -0.002 0.000 0.266 566 D C 0.415 176.776 176.300 0.100 0.000 1.293 566 D CA 0.571 54.629 54.000 0.097 0.000 0.926 566 D CB 0.115 40.957 40.800 0.071 0.000 1.090 566 D HN 0.298 nan 8.370 nan 0.000 0.502 567 E N 1.645 121.912 120.200 0.111 0.000 2.231 567 E HA 0.104 4.452 4.350 -0.002 0.000 0.277 567 E C -0.682 175.977 176.600 0.097 0.000 0.999 567 E CA -0.750 55.723 56.400 0.123 0.000 0.827 567 E CB 0.823 30.622 29.700 0.165 0.000 1.101 567 E HN 0.202 nan 8.360 nan 0.000 0.393 568 D N 2.842 123.333 120.400 0.152 0.000 2.417 568 D HA -0.024 4.614 4.640 -0.002 0.000 0.250 568 D C -0.077 176.362 176.300 0.232 0.000 1.166 568 D CA 0.368 54.476 54.000 0.179 0.000 0.881 568 D CB 0.874 41.839 40.800 0.276 0.000 1.164 568 D HN 0.449 nan 8.370 nan 0.000 0.467 569 Q N 2.287 122.116 119.800 0.048 0.000 2.246 569 Q HA 0.157 4.496 4.340 -0.002 0.000 0.222 569 Q C 1.335 177.323 176.000 -0.020 0.000 0.851 569 Q CA 0.473 56.198 55.803 -0.129 0.000 0.945 569 Q CB 1.300 29.890 28.738 -0.246 0.000 1.122 569 Q HN 0.844 nan 8.270 nan 0.000 0.508 570 G N 0.901 109.534 108.800 -0.278 0.000 2.234 570 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.260 570 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.260 570 G C 0.183 174.908 174.900 -0.291 0.000 0.987 570 G CA 0.475 45.228 45.100 -0.577 0.000 0.625 570 G HN 0.222 nan 8.290 nan 0.000 0.532 571 V N 1.082 120.877 119.914 -0.197 0.000 2.668 571 V HA 0.741 4.860 4.120 -0.002 0.000 0.304 571 V C -0.302 175.751 176.094 -0.069 0.000 1.071 571 V CA -0.344 61.811 62.300 -0.242 0.000 0.894 571 V CB 1.645 33.143 31.823 -0.541 0.000 1.008 571 V HN 0.922 nan 8.190 nan 0.000 0.425 572 F N 3.830 123.680 119.950 -0.167 0.000 2.664 572 F HA 0.959 5.485 4.527 -0.002 0.000 0.329 572 F C -0.659 175.120 175.800 -0.035 0.000 1.090 572 F CA -1.336 56.623 58.000 -0.068 0.000 0.978 572 F CB 2.195 41.168 39.000 -0.045 0.000 1.378 572 F HN 0.510 nan 8.300 nan 0.000 0.495 573 M N 1.143 120.709 119.600 -0.056 0.000 2.518 573 M HA 0.609 5.088 4.480 -0.002 0.000 0.300 573 M C -1.176 174.942 176.300 -0.302 0.000 1.175 573 M CA -0.569 54.615 55.300 -0.194 0.000 0.890 573 M CB 2.106 34.803 32.600 0.163 0.000 1.710 573 M HN 0.783 nan 8.290 nan 0.000 0.453 574 T N 1.885 116.305 114.554 -0.222 0.000 2.944 574 T HA 0.749 5.098 4.350 -0.002 0.000 0.284 574 T C -1.061 173.590 174.700 -0.082 0.000 1.010 574 T CA -0.788 61.263 62.100 -0.082 0.000 1.025 574 T CB 1.266 70.200 68.868 0.110 0.000 1.079 574 T HN 0.823 nan 8.240 nan 0.000 0.516 575 M N 3.621 123.249 119.600 0.047 0.000 2.267 575 M HA 0.570 5.049 4.480 -0.002 0.000 0.289 575 M C -2.046 174.295 176.300 0.069 0.000 1.043 575 M CA -0.706 54.697 55.300 0.172 0.000 0.928 575 M CB 1.574 34.466 32.600 0.486 0.000 1.613 575 M HN 0.390 nan 8.290 nan 0.000 0.450 576 V N 3.823 123.743 119.914 0.010 0.000 2.459 576 V HA 0.576 4.695 4.120 -0.002 0.000 0.295 576 V C -0.826 175.258 176.094 -0.017 0.000 1.029 576 V CA -0.570 61.680 62.300 -0.082 0.000 0.874 576 V CB 1.671 33.416 31.823 -0.130 0.000 0.985 576 V HN 0.840 nan 8.190 nan 0.000 0.438 577 Q N 4.046 123.813 119.800 -0.055 0.000 2.292 577 Q HA 0.540 4.879 4.340 -0.002 0.000 0.270 577 Q C -1.702 174.280 176.000 -0.031 0.000 1.024 577 Q CA -0.331 55.472 55.803 -0.001 0.000 0.768 577 Q CB 1.628 30.404 28.738 0.063 0.000 1.250 577 Q HN 0.620 nan 8.270 nan 0.000 0.447 578 L N 5.712 126.929 121.223 -0.010 0.000 2.399 578 L HA 0.620 4.959 4.340 -0.002 0.000 0.265 578 L C -1.740 175.135 176.870 0.009 0.000 1.089 578 L CA -1.760 53.073 54.840 -0.013 0.000 0.802 578 L CB 0.892 42.943 42.059 -0.012 0.000 1.180 578 L HN 0.692 nan 8.230 nan 0.000 0.454 579 P HA 0.034 nan 4.420 nan 0.000 0.333 579 P C -0.732 176.589 177.300 0.035 0.000 1.343 579 P CA -0.400 62.713 63.100 0.022 0.000 0.761 579 P CB 0.286 31.994 31.700 0.013 0.000 1.701 580 A N -0.670 122.176 122.820 0.042 0.000 2.473 580 A HA 0.422 4.741 4.320 -0.002 0.000 0.282 580 A C 1.206 178.822 177.584 0.053 0.000 1.163 580 A CA 0.455 52.528 52.037 0.060 0.000 0.827 580 A CB -1.977 17.067 19.000 0.073 0.000 1.098 580 A HN 0.808 nan 8.150 nan 0.000 0.515 581 G N 1.635 110.473 108.800 0.064 0.000 2.314 581 G HA2 0.152 4.111 3.960 -0.002 0.000 0.292 581 G HA3 0.152 4.111 3.960 -0.002 0.000 0.292 581 G C 0.483 175.412 174.900 0.048 0.000 1.059 581 G CA 0.486 45.627 45.100 0.068 0.000 0.982 581 G HN 2.021 nan 8.290 nan 0.000 0.505 582 A N -0.167 122.673 122.820 0.034 0.000 2.313 582 A HA 0.860 5.178 4.320 -0.002 0.000 0.261 582 A C 1.084 178.681 177.584 0.022 0.000 1.090 582 A CA 0.844 52.893 52.037 0.019 0.000 0.807 582 A CB 0.418 19.422 19.000 0.007 0.000 1.055 582 A HN 1.800 nan 8.150 nan 0.000 0.492 583 T N -1.423 113.138 114.554 0.011 0.000 2.912 583 T HA 0.329 4.678 4.350 -0.002 0.000 0.280 583 T C 0.893 175.595 174.700 0.003 0.000 0.989 583 T CA -0.076 62.030 62.100 0.010 0.000 0.995 583 T CB 1.117 69.986 68.868 0.001 0.000 1.077 583 T HN 0.663 nan 8.240 nan 0.000 0.531 584 Q N -0.372 119.430 119.800 0.004 0.000 2.226 584 Q HA -0.172 4.167 4.340 -0.002 0.000 0.204 584 Q C 1.994 177.986 176.000 -0.014 0.000 0.975 584 Q CA 1.644 57.448 55.803 0.001 0.000 0.866 584 Q CB -0.090 28.654 28.738 0.010 0.000 0.915 584 Q HN 0.857 nan 8.270 nan 0.000 0.440 585 E N 0.208 120.396 120.200 -0.020 0.000 2.072 585 E HA -0.152 4.197 4.350 -0.002 0.000 0.191 585 E C 1.807 178.388 176.600 -0.031 0.000 0.985 585 E CA 1.223 57.606 56.400 -0.029 0.000 0.801 585 E CB 0.154 29.834 29.700 -0.034 0.000 0.750 585 E HN 0.247 nan 8.360 nan 0.000 0.452 586 R N -0.437 120.047 120.500 -0.027 0.000 2.153 586 R HA -0.029 4.310 4.340 -0.002 0.000 0.218 586 R C 2.491 178.770 176.300 -0.036 0.000 1.072 586 R CA 1.554 57.636 56.100 -0.030 0.000 0.990 586 R CB -0.461 29.824 30.300 -0.025 0.000 0.889 586 R HN 0.381 nan 8.270 nan 0.000 0.452 587 T N -0.867 113.669 114.554 -0.031 0.000 2.857 587 T HA -0.095 4.254 4.350 -0.002 0.000 0.266 587 T C 1.943 176.613 174.700 -0.049 0.000 1.048 587 T CA 0.568 62.645 62.100 -0.038 0.000 1.139 587 T CB -0.041 68.814 68.868 -0.022 0.000 0.874 587 T HN -0.004 nan 8.240 nan 0.000 0.455 588 Q N 1.096 120.870 119.800 -0.043 0.000 2.170 588 Q HA -0.042 4.297 4.340 -0.002 0.000 0.203 588 Q C 2.302 178.270 176.000 -0.053 0.000 0.976 588 Q CA 1.265 57.039 55.803 -0.048 0.000 0.858 588 Q CB -0.291 28.423 28.738 -0.040 0.000 0.907 588 Q HN 0.655 nan 8.270 nan 0.000 0.433 589 K N 0.079 120.448 120.400 -0.051 0.000 2.097 589 K HA -0.116 4.203 4.320 -0.002 0.000 0.206 589 K C 1.917 178.477 176.600 -0.066 0.000 1.049 589 K CA 1.269 57.523 56.287 -0.055 0.000 0.933 589 K CB 0.236 32.706 32.500 -0.051 0.000 0.717 589 K HN 0.028 nan 8.250 nan 0.000 0.442 590 V N 0.982 120.849 119.914 -0.078 0.000 2.407 590 V HA -0.175 3.944 4.120 -0.002 0.000 0.245 590 V C 2.205 178.222 176.094 -0.128 0.000 1.041 590 V CA 1.019 63.254 62.300 -0.109 0.000 1.040 590 V CB -0.345 31.401 31.823 -0.127 0.000 0.671 590 V HN 0.188 nan 8.190 nan 0.000 0.455 591 L N 0.752 121.910 121.223 -0.109 0.000 2.131 591 L HA -0.121 4.218 4.340 -0.002 0.000 0.210 591 L C 2.324 179.157 176.870 -0.063 0.000 1.092 591 L CA 1.640 56.417 54.840 -0.105 0.000 0.759 591 L CB -0.824 41.176 42.059 -0.098 0.000 0.903 591 L HN 0.328 nan 8.230 nan 0.000 0.435 592 N N -0.499 118.174 118.700 -0.046 0.000 2.244 592 N HA -0.156 4.583 4.740 -0.002 0.000 0.183 592 N C 1.698 177.227 175.510 0.032 0.000 1.016 592 N CA 0.967 54.012 53.050 -0.009 0.000 0.866 592 N CB -0.007 38.467 38.487 -0.022 0.000 0.980 592 N HN 0.489 nan 8.380 nan 0.000 0.430 593 E N 0.058 120.255 120.200 -0.005 0.000 2.152 593 E HA -0.033 4.316 4.350 -0.002 0.000 0.192 593 E C 1.789 178.469 176.600 0.132 0.000 0.983 593 E CA 0.422 56.841 56.400 0.032 0.000 0.818 593 E CB 0.295 29.982 29.700 -0.021 0.000 0.758 593 E HN 0.079 nan 8.360 nan 0.000 0.467 594 V N 0.899 120.822 119.914 0.015 0.000 2.346 594 V HA -0.180 3.939 4.120 -0.002 0.000 0.244 594 V C 2.208 178.458 176.094 0.259 0.000 1.037 594 V CA 1.954 64.268 62.300 0.024 0.000 1.029 594 V CB -0.488 31.178 31.823 -0.262 0.000 0.663 594 V HN 0.294 nan 8.190 nan 0.000 0.454 595 T N -1.230 113.427 114.554 0.172 0.000 2.881 595 T HA -0.232 4.117 4.350 -0.002 0.000 0.270 595 T C 1.784 176.592 174.700 0.179 0.000 1.068 595 T CA 1.841 64.045 62.100 0.174 0.000 1.131 595 T CB -0.360 68.535 68.868 0.045 0.000 0.871 595 T HN 0.626 nan 8.240 nan 0.000 0.479 596 H N -0.038 119.087 119.070 0.093 0.000 2.321 596 H HA -0.092 4.463 4.556 -0.002 0.000 0.300 596 H C 2.033 177.406 175.328 0.075 0.000 1.087 596 H CA 1.696 57.784 56.048 0.068 0.000 1.319 596 H CB -0.409 29.389 29.762 0.060 0.000 1.379 596 H HN 0.406 nan 8.280 nan 0.000 0.501 597 Y N 0.040 120.385 120.300 0.076 0.000 2.081 597 Y HA -0.347 4.202 4.550 -0.002 0.000 0.280 597 Y C 1.695 177.478 175.900 -0.195 0.000 1.163 597 Y CA 2.121 60.155 58.100 -0.111 0.000 1.135 597 Y CB -0.672 37.655 38.460 -0.222 0.000 0.970 597 Y HN 0.329 nan 8.280 nan 0.000 0.498 598 Y N -0.871 119.498 120.300 0.115 0.000 2.509 598 Y HA -0.077 4.472 4.550 -0.002 0.000 0.293 598 Y C 1.932 177.761 175.900 -0.118 0.000 1.133 598 Y CA 0.729 58.825 58.100 -0.007 0.000 1.283 598 Y CB -0.050 38.457 38.460 0.079 0.000 1.001 598 Y HN 0.144 nan 8.280 nan 0.000 0.555 599 L N -1.864 119.343 121.223 -0.028 0.000 2.515 599 L HA 0.034 4.372 4.340 -0.002 0.000 0.223 599 L C 1.740 178.491 176.870 -0.198 0.000 1.079 599 L CA 0.563 55.339 54.840 -0.107 0.000 0.857 599 L CB 0.041 42.036 42.059 -0.106 0.000 1.050 599 L HN 0.090 nan 8.230 nan 0.000 0.476 600 T N -0.479 113.894 114.554 -0.301 0.000 2.980 600 T HA -0.003 4.346 4.350 -0.002 0.000 0.239 600 T C 1.380 175.927 174.700 -0.255 0.000 1.011 600 T CA 0.520 62.421 62.100 -0.331 0.000 1.171 600 T CB 0.139 68.679 68.868 -0.546 0.000 0.873 600 T HN 0.138 nan 8.240 nan 0.000 0.431 601 K N 1.325 121.525 120.400 -0.334 0.000 2.514 601 K HA 0.342 4.661 4.320 -0.002 0.000 0.207 601 K C -0.137 176.227 176.600 -0.394 0.000 1.035 601 K CA 0.133 56.219 56.287 -0.335 0.000 1.113 601 K CB 0.783 33.086 32.500 -0.329 0.000 0.846 601 K HN 0.175 nan 8.250 nan 0.000 0.491 602 E N 1.275 121.281 120.200 -0.322 0.000 4.170 602 E HA 0.198 4.547 4.350 -0.002 0.000 0.199 602 E C 0.042 176.587 176.600 -0.092 0.000 1.080 602 E CA 0.000 56.278 56.400 -0.204 0.000 1.446 602 E CB 0.569 30.146 29.700 -0.205 0.000 1.170 602 E HN 0.129 nan 8.360 nan 0.000 0.429 603 K N -0.222 120.119 120.400 -0.098 0.000 2.007 603 K HA -0.054 4.265 4.320 -0.002 0.000 0.206 603 K C 0.899 177.471 176.600 -0.046 0.000 1.047 603 K CA 1.482 57.728 56.287 -0.069 0.000 0.937 603 K CB -0.122 32.334 32.500 -0.074 0.000 0.718 603 K HN 0.245 nan 8.250 nan 0.000 0.438 604 N N 0.520 119.194 118.700 -0.044 0.000 2.542 604 N HA -0.010 4.729 4.740 -0.002 0.000 0.234 604 N C 0.076 175.572 175.510 -0.024 0.000 1.257 604 N CA 0.341 53.372 53.050 -0.031 0.000 0.883 604 N CB 0.096 38.566 38.487 -0.028 0.000 1.197 604 N HN 0.237 nan 8.380 nan 0.000 0.488 605 N N -1.609 117.079 118.700 -0.020 0.000 2.500 605 N HA 0.073 4.812 4.740 -0.002 0.000 0.292 605 N C -1.142 174.362 175.510 -0.009 0.000 0.775 605 N CA -0.246 52.799 53.050 -0.009 0.000 1.052 605 N CB 0.839 39.337 38.487 0.019 0.000 1.737 605 N HN -0.087 nan 8.380 nan 0.000 1.182 606 V N 2.458 122.379 119.914 0.011 0.000 2.488 606 V HA 0.079 4.197 4.120 -0.002 0.000 0.277 606 V C 1.070 177.136 176.094 -0.047 0.000 1.046 606 V CA 0.513 62.808 62.300 -0.008 0.000 0.986 606 V CB 1.430 33.280 31.823 0.045 0.000 0.989 606 V HN 0.311 nan 8.190 nan 0.000 0.475 607 E N 4.011 124.169 120.200 -0.070 0.000 2.033 607 E HA -0.006 4.343 4.350 -0.002 0.000 0.189 607 E C 0.714 177.262 176.600 -0.086 0.000 0.979 607 E CA 1.176 57.542 56.400 -0.057 0.000 0.802 607 E CB 0.286 29.963 29.700 -0.037 0.000 0.763 607 E HN 0.855 nan 8.360 nan 0.000 0.449 608 S N -1.434 114.191 115.700 -0.125 0.000 2.547 608 S HA 0.607 5.076 4.470 -0.002 0.000 0.270 608 S C -1.166 173.292 174.600 -0.236 0.000 1.150 608 S CA -0.939 57.115 58.200 -0.243 0.000 0.850 608 S CB 1.806 64.862 63.200 -0.240 0.000 1.118 608 S HN -0.023 nan 8.310 nan 0.000 0.461 609 V N 2.116 121.844 119.914 -0.310 0.000 2.417 609 V HA 0.546 4.665 4.120 -0.002 0.000 0.291 609 V C -1.168 174.863 176.094 -0.104 0.000 1.024 609 V CA -0.487 61.690 62.300 -0.206 0.000 0.861 609 V CB 1.064 32.792 31.823 -0.159 0.000 0.985 609 V HN 0.893 nan 8.190 nan 0.000 0.436 610 F N 4.581 124.448 119.950 -0.140 0.000 2.387 610 F HA 0.678 5.204 4.527 -0.002 0.000 0.332 610 F C 0.847 176.488 175.800 -0.265 0.000 1.174 610 F CA -0.776 57.175 58.000 -0.082 0.000 1.257 610 F CB 0.215 39.264 39.000 0.081 0.000 1.569 610 F HN 0.574 nan 8.300 nan 0.000 0.554 611 A N 3.222 125.826 122.820 -0.359 0.000 2.444 611 A HA 0.530 4.849 4.320 -0.002 0.000 0.273 611 A C -0.623 176.691 177.584 -0.451 0.000 1.136 611 A CA -0.213 51.613 52.037 -0.351 0.000 0.799 611 A CB -0.124 18.746 19.000 -0.217 0.000 1.081 611 A HN 0.319 nan 8.150 nan 0.000 0.509 612 V N 5.039 124.703 119.914 -0.416 0.000 2.384 612 V HA 0.244 4.363 4.120 -0.002 0.000 0.287 612 V C 0.235 176.265 176.094 -0.107 0.000 1.020 612 V CA -1.021 61.096 62.300 -0.305 0.000 0.850 612 V CB 1.358 32.996 31.823 -0.309 0.000 0.987 612 V HN 0.934 nan 8.190 nan 0.000 0.436 613 N N 2.921 121.586 118.700 -0.058 0.000 2.518 613 N HA 0.414 5.153 4.740 -0.002 0.000 0.283 613 N C 1.118 176.669 175.510 0.068 0.000 1.119 613 N CA 1.264 54.312 53.050 -0.004 0.000 0.983 613 N CB 1.854 40.329 38.487 -0.021 0.000 1.139 613 N HN 0.977 nan 8.380 nan 0.000 0.465 614 G N 2.964 111.807 108.800 0.071 0.000 2.383 614 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.229 614 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.229 614 G C 0.063 175.028 174.900 0.109 0.000 1.089 614 G CA -0.047 45.103 45.100 0.084 0.000 0.640 614 G HN 0.564 nan 8.290 nan 0.000 0.510 615 F N 3.518 123.479 119.950 0.019 0.000 2.438 615 F HA 0.594 5.119 4.527 -0.002 0.000 0.360 615 F C 0.714 176.506 175.800 -0.013 0.000 1.118 615 F CA 0.022 58.032 58.000 0.016 0.000 1.164 615 F CB 0.809 39.862 39.000 0.089 0.000 1.131 615 F HN 0.421 nan 8.300 nan 0.000 0.527 616 G N 5.076 113.862 108.800 -0.023 0.000 2.563 616 G HA2 0.476 4.435 3.960 -0.002 0.000 0.302 616 G HA3 0.476 4.435 3.960 -0.002 0.000 0.302 616 G C -1.644 173.237 174.900 -0.031 0.000 1.301 616 G CA -0.671 44.488 45.100 0.098 0.000 0.965 616 G HN 0.381 nan 8.290 nan 0.000 0.480 617 F N 0.749 120.847 119.950 0.246 0.000 2.459 617 F HA 0.410 4.936 4.527 -0.002 0.000 0.346 617 F C 1.368 177.239 175.800 0.117 0.000 1.128 617 F CA 1.357 59.485 58.000 0.214 0.000 1.268 617 F CB 1.807 41.004 39.000 0.328 0.000 1.161 617 F HN 1.009 nan 8.300 nan 0.000 0.583 618 A N 1.205 124.232 122.820 0.345 0.000 3.797 618 A HA 0.194 4.513 4.320 -0.002 0.000 0.251 618 A C 0.617 178.247 177.584 0.077 0.000 0.963 618 A CA 0.662 52.806 52.037 0.178 0.000 1.494 618 A CB -2.092 16.999 19.000 0.152 0.000 0.978 618 A HN 2.204 nan 8.150 nan 0.000 0.821 619 G N -2.014 106.786 108.800 -0.000 0.000 2.321 619 G HA2 0.475 4.433 3.960 -0.002 0.000 0.339 619 G HA3 0.475 4.433 3.960 -0.002 0.000 0.339 619 G C -0.664 174.148 174.900 -0.147 0.000 1.518 619 G CA -0.088 44.962 45.100 -0.083 0.000 0.994 619 G HN 0.805 nan 8.290 nan 0.000 0.668 620 R N -0.682 119.707 120.500 -0.185 0.000 2.863 620 R HA 0.568 4.906 4.340 -0.002 0.000 0.273 620 R C 0.697 176.961 176.300 -0.060 0.000 1.057 620 R CA 1.135 57.136 56.100 -0.165 0.000 1.191 620 R CB 0.741 30.959 30.300 -0.137 0.000 1.104 620 R HN 1.749 nan 8.270 nan 0.000 0.519 621 G N -0.049 108.734 108.800 -0.028 0.000 2.386 621 G HA2 -0.063 3.895 3.960 -0.002 0.000 0.302 621 G HA3 -0.063 3.895 3.960 -0.002 0.000 0.302 621 G C -0.904 174.011 174.900 0.025 0.000 1.629 621 G CA -0.745 44.361 45.100 0.010 0.000 0.917 621 G HN 0.543 nan 8.290 nan 0.000 0.676 622 Q N 0.052 119.874 119.800 0.035 0.000 2.319 622 Q HA 0.085 4.424 4.340 -0.002 0.000 0.217 622 Q C 0.900 176.919 176.000 0.031 0.000 0.924 622 Q CA 0.400 56.225 55.803 0.037 0.000 0.964 622 Q CB -0.083 28.682 28.738 0.044 0.000 1.025 622 Q HN 0.426 nan 8.270 nan 0.000 0.465 623 N N -1.144 117.574 118.700 0.030 0.000 2.011 623 N HA 0.010 4.749 4.740 -0.002 0.000 0.228 623 N C -0.416 175.110 175.510 0.026 0.000 1.378 623 N CA 0.573 53.640 53.050 0.028 0.000 0.852 623 N CB 0.929 39.439 38.487 0.038 0.000 1.111 623 N HN 0.275 nan 8.380 nan 0.000 0.497 624 T N -2.744 111.828 114.554 0.031 0.000 2.819 624 T HA 0.879 5.227 4.350 -0.002 0.000 0.271 624 T C 0.255 174.976 174.700 0.036 0.000 0.986 624 T CA -0.478 61.647 62.100 0.043 0.000 0.989 624 T CB 1.855 70.756 68.868 0.056 0.000 1.396 624 T HN 0.100 nan 8.240 nan 0.000 0.597 625 G N 0.227 109.061 108.800 0.057 0.000 2.238 625 G HA2 0.451 4.410 3.960 -0.002 0.000 0.276 625 G HA3 0.451 4.410 3.960 -0.002 0.000 0.276 625 G C -1.257 173.654 174.900 0.017 0.000 1.744 625 G CA -0.564 44.554 45.100 0.029 0.000 0.912 625 G HN 1.285 nan 8.290 nan 0.000 0.744 626 I N -0.599 119.956 120.570 -0.026 0.000 2.828 626 I HA 0.977 5.146 4.170 -0.002 0.000 0.302 626 I C -0.067 175.840 176.117 -0.351 0.000 1.101 626 I CA -1.603 59.625 61.300 -0.119 0.000 1.031 626 I CB 2.619 40.612 38.000 -0.011 0.000 1.231 626 I HN 1.049 nan 8.210 nan 0.000 0.427 627 A N 4.015 126.615 122.820 -0.368 0.000 2.353 627 A HA 0.759 5.077 4.320 -0.002 0.000 0.299 627 A C -1.309 176.040 177.584 -0.391 0.000 1.089 627 A CA -0.351 51.442 52.037 -0.408 0.000 0.736 627 A CB 0.579 19.438 19.000 -0.234 0.000 1.195 627 A HN 0.526 nan 8.150 nan 0.000 0.447 628 F N 2.143 122.053 119.950 -0.066 0.000 2.444 628 F HA 0.392 4.918 4.527 -0.002 0.000 0.360 628 F C 0.384 176.037 175.800 -0.245 0.000 1.106 628 F CA -0.493 57.461 58.000 -0.076 0.000 1.170 628 F CB 1.109 40.169 39.000 0.099 0.000 1.113 628 F HN 0.221 nan 8.300 nan 0.000 0.521 629 V N 3.215 122.923 119.914 -0.343 0.000 2.350 629 V HA 0.310 4.429 4.120 -0.002 0.000 0.276 629 V C 0.156 176.000 176.094 -0.416 0.000 1.028 629 V CA -0.585 61.357 62.300 -0.598 0.000 0.860 629 V CB 1.302 32.332 31.823 -1.323 0.000 0.990 629 V HN 0.800 nan 8.190 nan 0.000 0.453 630 S N 5.350 120.903 115.700 -0.245 0.000 2.585 630 S HA 0.797 5.266 4.470 -0.002 0.000 0.277 630 S C -0.641 173.864 174.600 -0.158 0.000 1.241 630 S CA -0.451 57.643 58.200 -0.176 0.000 1.041 630 S CB 0.714 63.871 63.200 -0.072 0.000 0.987 630 S HN 0.523 nan 8.310 nan 0.000 0.512 631 L N 3.266 124.393 121.223 -0.161 0.000 2.333 631 L HA 0.566 4.905 4.340 -0.002 0.000 0.269 631 L C 0.085 176.855 176.870 -0.166 0.000 1.010 631 L CA -0.962 53.788 54.840 -0.150 0.000 0.818 631 L CB 1.352 43.306 42.059 -0.175 0.000 1.306 631 L HN 0.446 nan 8.230 nan 0.000 0.430 632 K N 2.702 123.028 120.400 -0.124 0.000 2.278 632 K HA 0.063 4.382 4.320 -0.002 0.000 0.289 632 K C -0.120 176.411 176.600 -0.115 0.000 1.080 632 K CA 0.543 56.776 56.287 -0.089 0.000 0.934 632 K CB -0.151 32.320 32.500 -0.048 0.000 1.093 632 K HN 0.663 nan 8.250 nan 0.000 0.459 633 D N 2.271 122.605 120.400 -0.109 0.000 3.215 633 D HA -0.289 4.350 4.640 -0.002 0.000 0.194 633 D C 0.438 176.602 176.300 -0.228 0.000 1.369 633 D CA 2.033 56.007 54.000 -0.042 0.000 1.068 633 D CB -0.456 40.388 40.800 0.073 0.000 0.604 633 D HN 0.613 nan 8.370 nan 0.000 0.683 634 W N -1.485 119.834 121.300 0.032 0.000 4.301 634 W HA 0.538 5.197 4.660 -0.002 0.000 0.191 634 W C 2.056 178.593 176.519 0.030 0.000 1.108 634 W CA 0.861 58.229 57.345 0.038 0.000 1.676 634 W CB -0.849 28.641 29.460 0.049 0.000 0.650 634 W HN 0.404 nan 8.180 nan 0.000 0.943 635 A N 0.105 123.074 122.820 0.250 0.000 2.119 635 A HA -0.075 4.244 4.320 -0.002 0.000 0.216 635 A C 1.336 178.974 177.584 0.090 0.000 1.152 635 A CA 1.660 53.784 52.037 0.146 0.000 0.708 635 A CB -0.463 18.606 19.000 0.116 0.000 0.805 635 A HN 0.111 nan 8.150 nan 0.000 0.460 636 D N 0.115 120.558 120.400 0.072 0.000 2.347 636 D HA -0.044 4.595 4.640 -0.002 0.000 0.215 636 D C 0.723 177.035 176.300 0.021 0.000 0.976 636 D CA 0.586 54.606 54.000 0.034 0.000 0.884 636 D CB 0.056 40.866 40.800 0.017 0.000 0.915 636 D HN 0.573 nan 8.370 nan 0.000 0.526 637 R N 0.447 120.965 120.500 0.029 0.000 2.443 637 R HA 0.318 4.657 4.340 -0.002 0.000 0.287 637 R C -2.530 173.798 176.300 0.046 0.000 1.425 637 R CA -1.385 54.727 56.100 0.020 0.000 1.300 637 R CB 1.068 31.362 30.300 -0.010 0.000 1.129 637 R HN -0.199 nan 8.270 nan 0.000 0.577 638 P HA -0.037 nan 4.420 nan 0.000 0.213 638 P C 0.908 178.234 177.300 0.045 0.000 1.170 638 P CA 1.114 64.243 63.100 0.049 0.000 0.889 638 P CB 0.002 31.724 31.700 0.036 0.000 0.782 639 G N -0.036 108.783 108.800 0.031 0.000 2.699 639 G HA2 -0.077 3.882 3.960 -0.002 0.000 0.246 639 G HA3 -0.077 3.882 3.960 -0.002 0.000 0.246 639 G C 0.876 175.793 174.900 0.028 0.000 1.219 639 G CA -0.227 44.889 45.100 0.026 0.000 0.866 639 G HN 0.105 nan 8.290 nan 0.000 0.572 640 E N 0.056 120.270 120.200 0.023 0.000 2.204 640 E HA -0.136 4.213 4.350 -0.002 0.000 0.194 640 E C 2.238 178.844 176.600 0.011 0.000 0.989 640 E CA 1.196 57.609 56.400 0.021 0.000 0.824 640 E CB 0.098 29.809 29.700 0.018 0.000 0.756 640 E HN 0.728 nan 8.360 nan 0.000 0.477 641 E N -0.043 120.161 120.200 0.007 0.000 2.358 641 E HA -0.112 4.237 4.350 -0.002 0.000 0.195 641 E C 1.085 177.684 176.600 -0.002 0.000 1.010 641 E CA 0.457 56.856 56.400 -0.000 0.000 0.856 641 E CB -0.246 29.453 29.700 -0.001 0.000 0.795 641 E HN 0.100 nan 8.360 nan 0.000 0.504 642 N N 1.137 119.839 118.700 0.004 0.000 2.412 642 N HA 0.010 4.749 4.740 -0.002 0.000 0.184 642 N C -0.120 175.387 175.510 -0.006 0.000 1.101 642 N CA 0.446 53.497 53.050 0.001 0.000 0.881 642 N CB 0.306 38.798 38.487 0.008 0.000 0.969 642 N HN 0.303 nan 8.380 nan 0.000 0.459 643 K N -1.509 118.888 120.400 -0.005 0.000 2.238 643 K HA 0.440 4.758 4.320 -0.002 0.000 0.239 643 K C 1.233 177.801 176.600 -0.054 0.000 0.987 643 K CA -0.787 55.489 56.287 -0.018 0.000 0.857 643 K CB 0.789 33.310 32.500 0.034 0.000 1.154 643 K HN -0.380 nan 8.250 nan 0.000 0.439 644 V N 0.527 120.388 119.914 -0.089 0.000 2.277 644 V HA -0.324 3.794 4.120 -0.002 0.000 0.255 644 V C 2.361 178.343 176.094 -0.188 0.000 1.074 644 V CA 2.369 64.551 62.300 -0.196 0.000 1.058 644 V CB -0.647 31.081 31.823 -0.159 0.000 0.656 644 V HN 0.962 nan 8.190 nan 0.000 0.449 645 E N 0.001 120.151 120.200 -0.084 0.000 2.114 645 E HA -0.276 4.073 4.350 -0.002 0.000 0.199 645 E C 2.104 178.667 176.600 -0.063 0.000 1.008 645 E CA 2.101 58.468 56.400 -0.055 0.000 0.810 645 E CB -0.125 29.569 29.700 -0.010 0.000 0.739 645 E HN 0.629 nan 8.360 nan 0.000 0.456 646 A N -0.311 122.474 122.820 -0.059 0.000 2.140 646 A HA 0.152 4.471 4.320 -0.002 0.000 0.209 646 A C 2.175 179.726 177.584 -0.056 0.000 1.181 646 A CA -0.064 51.946 52.037 -0.044 0.000 0.824 646 A CB -0.086 18.901 19.000 -0.022 0.000 0.879 646 A HN 0.177 nan 8.150 nan 0.000 0.480 647 I N 0.873 121.391 120.570 -0.087 0.000 2.179 647 I HA -0.234 3.935 4.170 -0.002 0.000 0.242 647 I C 2.840 178.894 176.117 -0.104 0.000 1.088 647 I CA 1.916 63.177 61.300 -0.064 0.000 1.357 647 I CB -0.696 37.263 38.000 -0.068 0.000 1.051 647 I HN 0.479 nan 8.210 nan 0.000 0.409 648 T N -0.815 113.572 114.554 -0.278 0.000 2.788 648 T HA -0.237 4.112 4.350 -0.002 0.000 0.268 648 T C 1.794 176.451 174.700 -0.071 0.000 1.044 648 T CA 1.244 63.208 62.100 -0.227 0.000 1.139 648 T CB -0.409 68.292 68.868 -0.279 0.000 0.867 648 T HN 0.137 nan 8.240 nan 0.000 0.454 649 M N 1.182 120.743 119.600 -0.064 0.000 2.117 649 M HA 0.100 4.579 4.480 -0.002 0.000 0.262 649 M C 2.364 178.636 176.300 -0.048 0.000 1.065 649 M CA 1.481 56.761 55.300 -0.034 0.000 1.114 649 M CB -0.352 32.232 32.600 -0.027 0.000 1.361 649 M HN 0.121 nan 8.290 nan 0.000 0.408 650 R N -1.057 119.411 120.500 -0.053 0.000 2.119 650 R HA 0.109 4.448 4.340 -0.002 0.000 0.222 650 R C 2.172 178.331 176.300 -0.235 0.000 1.088 650 R CA 0.980 57.036 56.100 -0.073 0.000 0.984 650 R CB -0.468 29.840 30.300 0.014 0.000 0.884 650 R HN 0.462 nan 8.270 nan 0.000 0.447 651 A N 0.825 123.501 122.820 -0.239 0.000 1.877 651 A HA -0.183 4.135 4.320 -0.002 0.000 0.216 651 A C 2.234 179.530 177.584 -0.480 0.000 1.186 651 A CA 2.083 53.785 52.037 -0.558 0.000 0.620 651 A CB -1.036 17.948 19.000 -0.026 0.000 0.822 651 A HN 0.468 nan 8.150 nan 0.000 0.443 652 T N -1.785 112.710 114.554 -0.099 0.000 2.720 652 T HA -0.215 4.134 4.350 -0.002 0.000 0.268 652 T C 2.019 176.699 174.700 -0.034 0.000 1.037 652 T CA 1.494 63.624 62.100 0.050 0.000 1.144 652 T CB -0.342 68.593 68.868 0.112 0.000 0.864 652 T HN 0.499 nan 8.240 nan 0.000 0.444 653 R N 1.355 121.789 120.500 -0.110 0.000 2.062 653 R HA 0.100 4.439 4.340 -0.002 0.000 0.231 653 R C 2.871 179.070 176.300 -0.169 0.000 1.136 653 R CA 1.347 57.388 56.100 -0.099 0.000 0.948 653 R CB -0.842 29.410 30.300 -0.079 0.000 0.845 653 R HN 0.462 nan 8.270 nan 0.000 0.430 654 A N 0.315 122.922 122.820 -0.355 0.000 1.940 654 A HA -0.171 4.148 4.320 -0.002 0.000 0.219 654 A C 1.901 179.285 177.584 -0.332 0.000 1.176 654 A CA 1.419 53.196 52.037 -0.432 0.000 0.631 654 A CB -0.644 17.888 19.000 -0.780 0.000 0.814 654 A HN 0.375 nan 8.150 nan 0.000 0.446 655 F N -0.418 119.390 119.950 -0.237 0.000 2.234 655 F HA 0.010 4.536 4.527 -0.002 0.000 0.296 655 F C 2.852 178.579 175.800 -0.121 0.000 1.089 655 F CA 0.971 58.861 58.000 -0.182 0.000 1.343 655 F CB -0.981 37.909 39.000 -0.183 0.000 1.040 655 F HN 0.240 nan 8.300 nan 0.000 0.498 656 S N -0.872 114.873 115.700 0.076 0.000 2.461 656 S HA -0.106 4.363 4.470 -0.002 0.000 0.228 656 S C 2.053 176.662 174.600 0.016 0.000 1.005 656 S CA 0.549 58.774 58.200 0.041 0.000 0.942 656 S CB -0.170 63.068 63.200 0.062 0.000 0.776 656 S HN 0.280 nan 8.310 nan 0.000 0.514 657 Q N 0.230 120.027 119.800 -0.006 0.000 2.050 657 Q HA 0.050 4.389 4.340 -0.002 0.000 0.202 657 Q C 0.125 176.124 176.000 -0.003 0.000 0.980 657 Q CA 1.001 56.797 55.803 -0.011 0.000 0.840 657 Q CB 0.038 28.758 28.738 -0.030 0.000 0.898 657 Q HN 0.571 nan 8.270 nan 0.000 0.424 658 I N 0.455 121.027 120.570 0.003 0.000 2.497 658 I HA 0.369 4.538 4.170 -0.002 0.000 0.284 658 I C -0.696 175.427 176.117 0.011 0.000 1.060 658 I CA -0.674 60.629 61.300 0.005 0.000 1.071 658 I CB 1.893 39.895 38.000 0.004 0.000 1.216 658 I HN -0.239 nan 8.210 nan 0.000 0.442 659 K N 3.836 124.233 120.400 -0.005 0.000 2.598 659 K HA 0.271 4.590 4.320 -0.002 0.000 0.271 659 K C -0.493 176.088 176.600 -0.030 0.000 0.947 659 K CA -0.455 55.819 56.287 -0.022 0.000 0.854 659 K CB 1.582 34.062 32.500 -0.034 0.000 1.401 659 K HN 0.583 nan 8.250 nan 0.000 0.415 660 D N 0.645 121.021 120.400 -0.039 0.000 2.366 660 D HA 0.192 4.831 4.640 -0.002 0.000 0.205 660 D C 0.482 176.755 176.300 -0.044 0.000 1.022 660 D CA 0.104 54.083 54.000 -0.036 0.000 0.868 660 D CB 0.512 41.291 40.800 -0.034 0.000 0.953 660 D HN 0.359 nan 8.370 nan 0.000 0.514 661 A N 0.261 123.042 122.820 -0.065 0.000 3.200 661 A HA 0.771 5.090 4.320 -0.002 0.000 0.208 661 A C -0.558 176.952 177.584 -0.123 0.000 1.360 661 A CA -0.706 51.282 52.037 -0.082 0.000 0.892 661 A CB 1.014 19.959 19.000 -0.091 0.000 1.600 661 A HN 0.064 nan 8.150 nan 0.000 0.501 662 M N 1.046 120.538 119.600 -0.180 0.000 2.093 662 M HA 0.476 4.955 4.480 -0.002 0.000 0.297 662 M C -1.641 174.353 176.300 -0.511 0.000 0.938 662 M CA -0.305 54.793 55.300 -0.338 0.000 0.920 662 M CB 1.835 34.262 32.600 -0.290 0.000 1.517 662 M HN 0.311 nan 8.290 nan 0.000 0.427 663 V N 3.259 122.830 119.914 -0.571 0.000 2.656 663 V HA 0.521 4.640 4.120 -0.002 0.000 0.307 663 V C -0.664 175.168 176.094 -0.437 0.000 1.051 663 V CA -0.431 61.573 62.300 -0.494 0.000 0.893 663 V CB 1.812 33.362 31.823 -0.455 0.000 0.999 663 V HN 0.769 nan 8.190 nan 0.000 0.426 664 F N 1.678 121.724 119.950 0.159 0.000 2.515 664 F HA 0.765 5.290 4.527 -0.002 0.000 0.267 664 F C 1.129 177.101 175.800 0.285 0.000 0.923 664 F CA 0.407 58.547 58.000 0.233 0.000 1.107 664 F CB -0.484 38.679 39.000 0.273 0.000 1.175 664 F HN 0.707 nan 8.300 nan 0.000 0.742 665 A N 0.861 123.959 122.820 0.464 0.000 2.432 665 A HA 0.124 4.443 4.320 -0.002 0.000 0.685 665 A C -0.663 177.109 177.584 0.313 0.000 0.141 665 A CA 0.021 52.243 52.037 0.309 0.000 0.039 665 A CB -2.331 16.981 19.000 0.521 0.000 3.967 665 A HN 0.705 nan 8.150 nan 0.000 0.547 666 F N 0.542 120.706 119.950 0.356 0.000 2.654 666 F HA 0.914 5.440 4.527 -0.002 0.000 0.334 666 F C -0.072 175.870 175.800 0.237 0.000 1.078 666 F CA -1.209 56.923 58.000 0.220 0.000 0.986 666 F CB 0.995 40.086 39.000 0.151 0.000 1.362 666 F HN 0.636 nan 8.300 nan 0.000 0.498 667 N N 0.323 119.259 118.700 0.394 0.000 2.456 667 N HA 0.411 5.150 4.740 -0.002 0.000 0.296 667 N C -1.311 174.387 175.510 0.314 0.000 1.102 667 N CA -0.544 52.666 53.050 0.266 0.000 0.924 667 N CB 1.205 39.754 38.487 0.102 0.000 1.186 667 N HN 0.682 nan 8.380 nan 0.000 0.492 668 L N 3.988 125.362 121.223 0.251 0.000 2.513 668 L HA 0.220 4.559 4.340 -0.002 0.000 0.272 668 L C -1.373 175.571 176.870 0.124 0.000 1.187 668 L CA -0.817 54.145 54.840 0.202 0.000 0.895 668 L CB 0.440 42.589 42.059 0.149 0.000 1.147 668 L HN 0.652 nan 8.230 nan 0.000 0.483 669 P HA 0.043 nan 4.420 nan 0.000 0.247 669 P C 0.492 177.820 177.300 0.047 0.000 1.225 669 P CA 0.600 63.726 63.100 0.044 0.000 0.768 669 P CB 0.253 31.947 31.700 -0.011 0.000 1.020 670 A N -0.475 122.391 122.820 0.077 0.000 2.869 670 A HA -0.166 4.153 4.320 -0.002 0.000 0.280 670 A C 0.471 178.073 177.584 0.031 0.000 1.458 670 A CA 1.378 53.498 52.037 0.139 0.000 0.776 670 A CB -2.750 16.369 19.000 0.199 0.000 1.028 670 A HN 0.466 nan 8.150 nan 0.000 0.547 671 I N -6.846 113.685 120.570 -0.065 0.000 3.289 671 I HA 0.542 4.711 4.170 -0.002 0.000 0.319 671 I C 1.366 177.423 176.117 -0.100 0.000 1.340 671 I CA -0.850 60.298 61.300 -0.252 0.000 0.903 671 I CB 0.709 38.527 38.000 -0.303 0.000 1.291 671 I HN 0.348 nan 8.210 nan 0.000 0.496 672 V N -0.735 119.109 119.914 -0.116 0.000 2.255 672 V HA 0.022 4.141 4.120 -0.002 0.000 0.243 672 V C 1.096 177.152 176.094 -0.064 0.000 1.038 672 V CA 2.242 64.510 62.300 -0.054 0.000 1.008 672 V CB -1.232 30.567 31.823 -0.040 0.000 0.645 672 V HN 1.141 nan 8.190 nan 0.000 0.449 673 E N 0.711 120.861 120.200 -0.085 0.000 3.284 673 E HA 0.131 4.479 4.350 -0.002 0.000 0.250 673 E C -0.125 176.407 176.600 -0.113 0.000 1.167 673 E CA -0.299 56.044 56.400 -0.094 0.000 1.689 673 E CB -0.488 29.165 29.700 -0.079 0.000 2.504 673 E HN 0.530 nan 8.360 nan 0.000 1.028 674 L N 1.696 122.868 121.223 -0.084 0.000 3.516 674 L HA -0.026 4.313 4.340 -0.002 0.000 0.541 674 L C 0.352 177.112 176.870 -0.184 0.000 1.005 674 L CA 1.792 56.578 54.840 -0.090 0.000 1.063 674 L CB -2.939 39.091 42.059 -0.049 0.000 0.909 674 L HN 1.157 nan 8.230 nan 0.000 0.647 675 G N 2.350 111.050 108.800 -0.166 0.000 2.977 675 G HA2 -0.016 3.942 3.960 -0.002 0.000 0.686 675 G HA3 -0.016 3.942 3.960 -0.002 0.000 0.686 675 G C 0.616 175.357 174.900 -0.264 0.000 1.088 675 G CA 0.524 45.487 45.100 -0.228 0.000 0.845 675 G HN 1.913 nan 8.290 nan 0.000 0.565 676 T N 0.163 114.612 114.554 -0.175 0.000 2.671 676 T HA 0.553 4.902 4.350 -0.002 0.000 0.250 676 T C 1.892 176.542 174.700 -0.084 0.000 1.068 676 T CA 2.957 64.983 62.100 -0.123 0.000 1.177 676 T CB -0.004 68.814 68.868 -0.083 0.000 0.876 676 T HN 2.425 nan 8.240 nan 0.000 0.405 677 A N 0.620 123.432 122.820 -0.012 0.000 2.373 677 A HA 0.300 4.619 4.320 -0.002 0.000 0.190 677 A C 1.389 179.039 177.584 0.109 0.000 1.544 677 A CA 0.603 52.723 52.037 0.138 0.000 1.699 677 A CB -0.501 18.595 19.000 0.160 0.000 1.614 677 A HN 0.816 nan 8.150 nan 0.000 0.667 678 T N -0.952 113.635 114.554 0.055 0.000 3.313 678 T HA 0.571 4.920 4.350 -0.002 0.000 0.263 678 T C 0.329 175.050 174.700 0.034 0.000 0.983 678 T CA 0.541 62.667 62.100 0.044 0.000 0.963 678 T CB 0.074 68.965 68.868 0.037 0.000 1.141 678 T HN 1.280 nan 8.240 nan 0.000 0.526 679 G N 1.181 109.992 108.800 0.018 0.000 2.498 679 G HA2 0.723 4.682 3.960 -0.002 0.000 0.312 679 G HA3 0.723 4.682 3.960 -0.002 0.000 0.312 679 G C -1.190 173.761 174.900 0.084 0.000 1.230 679 G CA -1.234 43.861 45.100 -0.008 0.000 0.968 679 G HN 0.492 nan 8.290 nan 0.000 0.481 680 F N -0.736 119.218 119.950 0.007 0.000 2.629 680 F HA 0.809 5.335 4.527 -0.002 0.000 0.316 680 F C -1.249 174.631 175.800 0.134 0.000 1.081 680 F CA -1.762 56.293 58.000 0.092 0.000 0.954 680 F CB 2.684 41.791 39.000 0.178 0.000 1.337 680 F HN 0.411 nan 8.300 nan 0.000 0.474 681 D N 2.017 122.741 120.400 0.541 0.000 2.735 681 D HA 0.204 4.843 4.640 -0.002 0.000 0.291 681 D C -1.307 175.176 176.300 0.305 0.000 1.205 681 D CA -0.176 53.989 54.000 0.274 0.000 0.777 681 D CB 0.028 40.891 40.800 0.105 0.000 1.234 681 D HN 0.525 nan 8.370 nan 0.000 0.520 682 F N 1.505 121.618 119.950 0.271 0.000 2.602 682 F HA 0.316 4.842 4.527 -0.001 0.000 0.367 682 F C 0.277 175.870 175.800 -0.345 0.000 1.126 682 F CA 0.242 58.051 58.000 -0.318 0.000 1.321 682 F CB 0.869 39.717 39.000 -0.253 0.000 1.094 682 F HN 0.058 nan 8.300 nan 0.000 0.594 683 E N 5.615 125.027 120.200 -1.312 0.000 2.182 683 E HA 0.336 4.685 4.350 -0.002 0.000 0.258 683 E C -1.944 174.027 176.600 -1.048 0.000 0.879 683 E CA -0.774 55.055 56.400 -0.953 0.000 0.754 683 E CB 1.083 30.182 29.700 -1.002 0.000 1.162 683 E HN 0.590 nan 8.360 nan 0.000 0.419 684 L N 6.213 127.143 121.223 -0.489 0.000 2.264 684 L HA 0.580 4.919 4.340 -0.002 0.000 0.289 684 L C -1.300 175.486 176.870 -0.138 0.000 1.044 684 L CA -0.201 54.522 54.840 -0.195 0.000 0.807 684 L CB 0.490 42.636 42.059 0.146 0.000 1.192 684 L HN 0.567 nan 8.230 nan 0.000 0.425 685 I N 3.463 123.957 120.570 -0.126 0.000 2.493 685 I HA 0.323 4.492 4.170 -0.002 0.000 0.298 685 I C -0.484 175.623 176.117 -0.016 0.000 0.998 685 I CA -0.850 60.410 61.300 -0.068 0.000 1.137 685 I CB 1.698 39.652 38.000 -0.077 0.000 1.310 685 I HN 0.546 nan 8.210 nan 0.000 0.445 686 D N 4.668 125.073 120.400 0.007 0.000 2.339 686 D HA 0.091 4.730 4.640 -0.002 0.000 0.256 686 D C 0.459 176.765 176.300 0.009 0.000 1.214 686 D CA 0.192 54.203 54.000 0.018 0.000 0.877 686 D CB 1.049 41.868 40.800 0.032 0.000 1.111 686 D HN 0.397 nan 8.370 nan 0.000 0.478 687 Q N 2.898 122.701 119.800 0.005 0.000 2.387 687 Q HA 0.153 4.492 4.340 -0.002 0.000 0.208 687 Q C 1.333 177.334 176.000 0.003 0.000 0.935 687 Q CA 0.621 56.423 55.803 -0.001 0.000 0.891 687 Q CB -0.017 28.714 28.738 -0.010 0.000 1.007 687 Q HN 0.602 nan 8.270 nan 0.000 0.548 688 A N 0.265 123.089 122.820 0.006 0.000 2.278 688 A HA 0.381 4.700 4.320 -0.002 0.000 0.212 688 A C 1.077 178.666 177.584 0.009 0.000 1.213 688 A CA 0.771 52.812 52.037 0.007 0.000 0.840 688 A CB -0.324 18.680 19.000 0.007 0.000 0.866 688 A HN 0.406 nan 8.150 nan 0.000 0.489 689 G N -0.362 108.445 108.800 0.012 0.000 2.248 689 G HA2 -0.152 3.807 3.960 -0.002 0.000 0.263 689 G HA3 -0.152 3.807 3.960 -0.002 0.000 0.263 689 G C -0.123 174.788 174.900 0.019 0.000 1.082 689 G CA 0.030 45.139 45.100 0.015 0.000 0.863 689 G HN 0.241 nan 8.290 nan 0.000 0.495 690 L N 0.061 121.296 121.223 0.022 0.000 2.475 690 L HA 0.631 4.970 4.340 -0.002 0.000 0.253 690 L C 1.712 178.603 176.870 0.035 0.000 1.198 690 L CA 0.619 55.473 54.840 0.023 0.000 0.814 690 L CB -0.493 41.578 42.059 0.020 0.000 1.134 690 L HN 0.353 nan 8.230 nan 0.000 0.478 691 G N -1.304 107.516 108.800 0.033 0.000 2.569 691 G HA2 0.063 4.022 3.960 -0.002 0.000 0.249 691 G HA3 0.063 4.022 3.960 -0.002 0.000 0.249 691 G C 0.844 175.793 174.900 0.081 0.000 1.216 691 G CA -0.021 45.110 45.100 0.052 0.000 0.845 691 G HN 0.850 nan 8.290 nan 0.000 0.568 692 H N 0.113 119.187 119.070 0.007 0.000 2.421 692 H HA -0.071 4.484 4.556 -0.002 0.000 0.298 692 H C 2.206 177.537 175.328 0.004 0.000 1.087 692 H CA 2.140 58.193 56.048 0.008 0.000 1.330 692 H CB 0.169 29.939 29.762 0.012 0.000 1.388 692 H HN 0.603 nan 8.280 nan 0.000 0.526 693 E N 0.512 120.605 120.200 -0.178 0.000 2.110 693 E HA -0.099 4.250 4.350 -0.002 0.000 0.193 693 E C 2.047 178.562 176.600 -0.143 0.000 0.988 693 E CA 1.216 57.485 56.400 -0.218 0.000 0.804 693 E CB 0.002 29.639 29.700 -0.106 0.000 0.745 693 E HN 0.494 nan 8.360 nan 0.000 0.458 694 K N 0.172 120.530 120.400 -0.070 0.000 2.217 694 K HA 0.031 4.350 4.320 -0.002 0.000 0.202 694 K C 2.081 178.662 176.600 -0.031 0.000 1.051 694 K CA 0.467 56.731 56.287 -0.039 0.000 0.952 694 K CB -0.004 32.489 32.500 -0.012 0.000 0.736 694 K HN 0.118 nan 8.250 nan 0.000 0.453 695 L N 1.204 122.415 121.223 -0.019 0.000 2.072 695 L HA -0.160 4.179 4.340 -0.002 0.000 0.205 695 L C 2.269 179.133 176.870 -0.009 0.000 1.079 695 L CA 1.543 56.394 54.840 0.018 0.000 0.752 695 L CB -0.566 41.550 42.059 0.094 0.000 0.906 695 L HN 0.332 nan 8.230 nan 0.000 0.436 696 T N -2.900 111.603 114.554 -0.084 0.000 2.759 696 T HA -0.285 4.063 4.350 -0.002 0.000 0.269 696 T C 1.682 176.342 174.700 -0.067 0.000 1.042 696 T CA 1.388 63.432 62.100 -0.094 0.000 1.140 696 T CB -0.303 68.436 68.868 -0.216 0.000 0.864 696 T HN 0.184 nan 8.240 nan 0.000 0.455 697 Q N 1.575 121.332 119.800 -0.073 0.000 2.137 697 Q HA 0.301 4.640 4.340 -0.002 0.000 0.198 697 Q C 2.374 178.356 176.000 -0.030 0.000 0.960 697 Q CA 1.419 57.190 55.803 -0.054 0.000 0.847 697 Q CB -0.838 27.867 28.738 -0.056 0.000 0.915 697 Q HN 0.626 nan 8.270 nan 0.000 0.448 698 A N 0.298 123.107 122.820 -0.019 0.000 1.969 698 A HA -0.119 4.200 4.320 -0.002 0.000 0.218 698 A C 2.089 179.675 177.584 0.003 0.000 1.169 698 A CA 1.216 53.252 52.037 -0.003 0.000 0.635 698 A CB -0.439 18.567 19.000 0.010 0.000 0.810 698 A HN 0.211 nan 8.150 nan 0.000 0.445 699 R N 0.410 120.914 120.500 0.007 0.000 2.090 699 R HA -0.030 4.308 4.340 -0.002 0.000 0.228 699 R C 1.656 177.953 176.300 -0.005 0.000 1.110 699 R CA 1.423 57.533 56.100 0.016 0.000 0.973 699 R CB -0.682 29.636 30.300 0.031 0.000 0.869 699 R HN 0.702 nan 8.270 nan 0.000 0.440 700 N N 0.323 119.013 118.700 -0.016 0.000 2.120 700 N HA -0.195 4.544 4.740 -0.002 0.000 0.188 700 N C 1.816 177.312 175.510 -0.024 0.000 1.024 700 N CA 0.943 53.979 53.050 -0.022 0.000 0.852 700 N CB -0.033 38.434 38.487 -0.033 0.000 1.003 700 N HN 0.366 nan 8.380 nan 0.000 0.424 701 Q N 1.264 121.049 119.800 -0.025 0.000 2.079 701 Q HA -0.119 4.220 4.340 -0.002 0.000 0.200 701 Q C 2.307 178.285 176.000 -0.036 0.000 0.974 701 Q CA 0.858 56.645 55.803 -0.026 0.000 0.840 701 Q CB -0.017 28.708 28.738 -0.022 0.000 0.898 701 Q HN 0.351 nan 8.270 nan 0.000 0.430 702 L N 0.355 121.550 121.223 -0.048 0.000 2.042 702 L HA -0.206 4.133 4.340 -0.002 0.000 0.210 702 L C 2.129 178.944 176.870 -0.090 0.000 1.076 702 L CA 1.247 56.032 54.840 -0.091 0.000 0.749 702 L CB -0.152 41.836 42.059 -0.118 0.000 0.893 702 L HN 0.279 nan 8.230 nan 0.000 0.432 703 L N -0.572 120.617 121.223 -0.057 0.000 2.093 703 L HA -0.126 4.213 4.340 -0.002 0.000 0.208 703 L C 2.770 179.626 176.870 -0.023 0.000 1.085 703 L CA 0.980 55.797 54.840 -0.038 0.000 0.755 703 L CB -0.768 41.279 42.059 -0.020 0.000 0.904 703 L HN 0.358 nan 8.230 nan 0.000 0.435 704 A N -0.076 122.731 122.820 -0.021 0.000 1.897 704 A HA -0.217 4.102 4.320 -0.002 0.000 0.215 704 A C 2.196 179.777 177.584 -0.005 0.000 1.181 704 A CA 1.699 53.729 52.037 -0.012 0.000 0.620 704 A CB -0.379 18.613 19.000 -0.013 0.000 0.821 704 A HN 0.355 nan 8.150 nan 0.000 0.443 705 E N 0.322 120.515 120.200 -0.012 0.000 2.208 705 E HA 0.044 4.393 4.350 -0.002 0.000 0.193 705 E C 1.832 178.442 176.600 0.017 0.000 0.988 705 E CA 1.294 57.695 56.400 0.002 0.000 0.828 705 E CB -0.375 29.316 29.700 -0.016 0.000 0.763 705 E HN 0.446 nan 8.360 nan 0.000 0.478 706 A N 0.698 123.509 122.820 -0.016 0.000 1.897 706 A HA 0.112 4.431 4.320 -0.002 0.000 0.215 706 A C 2.350 179.960 177.584 0.044 0.000 1.181 706 A CA 1.452 53.482 52.037 -0.012 0.000 0.620 706 A CB -0.799 18.173 19.000 -0.047 0.000 0.821 706 A HN 0.344 nan 8.150 nan 0.000 0.443 707 A N -0.853 121.984 122.820 0.028 0.000 2.216 707 A HA -0.005 4.314 4.320 -0.002 0.000 0.214 707 A C 1.783 179.388 177.584 0.036 0.000 1.160 707 A CA 1.363 53.419 52.037 0.031 0.000 0.725 707 A CB -0.386 18.622 19.000 0.013 0.000 0.784 707 A HN 0.447 nan 8.150 nan 0.000 0.472 708 K N -0.606 119.826 120.400 0.053 0.000 2.469 708 K HA 0.070 4.388 4.320 -0.002 0.000 0.201 708 K C -0.409 176.204 176.600 0.022 0.000 1.028 708 K CA 0.051 56.358 56.287 0.033 0.000 1.170 708 K CB -0.129 32.391 32.500 0.034 0.000 0.874 708 K HN 0.572 nan 8.250 nan 0.000 0.507 709 H N -0.930 118.131 119.070 -0.014 0.000 2.624 709 H HA 0.183 4.738 4.556 -0.001 0.000 0.233 709 H C -2.209 173.116 175.328 -0.005 0.000 1.376 709 H CA -1.589 54.452 56.048 -0.012 0.000 1.137 709 H CB 1.040 30.792 29.762 -0.017 0.000 1.867 709 H HN 0.158 nan 8.280 nan 0.000 0.547 710 P HA -0.061 nan 4.420 nan 0.000 0.225 710 P C -0.171 177.136 177.300 0.011 0.000 1.156 710 P CA 0.724 63.838 63.100 0.023 0.000 0.787 710 P CB 0.465 32.167 31.700 0.002 0.000 0.802 711 D N 1.328 121.714 120.400 -0.024 0.000 2.336 711 D HA 0.206 4.845 4.640 -0.002 0.000 0.249 711 D C 0.358 176.676 176.300 0.030 0.000 1.213 711 D CA 0.182 54.169 54.000 -0.021 0.000 0.870 711 D CB 0.220 40.981 40.800 -0.065 0.000 1.076 711 D HN -0.084 nan 8.370 nan 0.000 0.483 712 M N 1.405 121.035 119.600 0.050 0.000 2.752 712 M HA -0.229 4.250 4.480 -0.002 0.000 0.186 712 M C -0.432 175.923 176.300 0.092 0.000 1.019 712 M CA 0.093 55.441 55.300 0.079 0.000 0.653 712 M CB -1.368 31.305 32.600 0.123 0.000 1.267 712 M HN 0.411 nan 8.290 nan 0.000 0.816 713 L N 0.900 122.159 121.223 0.061 0.000 2.492 713 L HA 0.544 4.883 4.340 -0.002 0.000 0.280 713 L C 0.917 177.830 176.870 0.071 0.000 1.240 713 L CA 1.371 56.246 54.840 0.059 0.000 0.831 713 L CB 0.694 42.774 42.059 0.035 0.000 1.100 713 L HN 0.682 nan 8.230 nan 0.000 0.505 714 T N -0.681 113.917 114.554 0.074 0.000 2.841 714 T HA 0.601 4.950 4.350 -0.002 0.000 0.296 714 T C -0.770 173.957 174.700 0.044 0.000 1.166 714 T CA -0.872 61.282 62.100 0.091 0.000 1.007 714 T CB 1.543 70.498 68.868 0.144 0.000 1.253 714 T HN 0.401 nan 8.240 nan 0.000 0.511 715 S N 1.111 116.815 115.700 0.006 0.000 2.524 715 S HA 0.557 5.026 4.470 -0.002 0.000 0.227 715 S C -0.317 174.223 174.600 -0.100 0.000 1.304 715 S CA -0.785 57.389 58.200 -0.043 0.000 1.185 715 S CB 0.603 63.766 63.200 -0.062 0.000 1.104 715 S HN 1.020 nan 8.310 nan 0.000 0.475 716 V N 1.433 121.315 119.914 -0.054 0.000 2.448 716 V HA 0.787 4.906 4.120 -0.002 0.000 0.295 716 V C -0.315 175.752 176.094 -0.046 0.000 1.025 716 V CA -0.734 61.526 62.300 -0.066 0.000 0.859 716 V CB 1.416 33.245 31.823 0.011 0.000 0.988 716 V HN 0.702 nan 8.190 nan 0.000 0.431 717 R N 4.193 124.658 120.500 -0.059 0.000 2.604 717 R HA 0.630 4.969 4.340 -0.002 0.000 0.270 717 R C -2.969 173.321 176.300 -0.017 0.000 1.052 717 R CA -1.433 54.652 56.100 -0.024 0.000 0.902 717 R CB 3.352 33.643 30.300 -0.014 0.000 1.233 717 R HN 0.615 nan 8.270 nan 0.000 0.455 718 P HA 0.231 nan 4.420 nan 0.000 0.284 718 P C -1.095 176.223 177.300 0.030 0.000 1.292 718 P CA -0.650 62.464 63.100 0.023 0.000 0.800 718 P CB 0.726 32.448 31.700 0.036 0.000 1.188 719 N N -1.376 117.346 118.700 0.037 0.000 2.361 719 N HA 0.385 5.124 4.740 -0.002 0.000 0.302 719 N C 1.095 176.641 175.510 0.060 0.000 1.074 719 N CA 0.515 53.594 53.050 0.048 0.000 0.850 719 N CB 1.566 40.076 38.487 0.038 0.000 1.228 719 N HN 0.752 nan 8.380 nan 0.000 0.491 720 G N 2.300 111.144 108.800 0.073 0.000 5.059 720 G HA2 -0.409 3.550 3.960 -0.002 0.000 0.336 720 G HA3 -0.409 3.550 3.960 -0.002 0.000 0.336 720 G C 0.781 175.725 174.900 0.074 0.000 1.364 720 G CA 1.290 46.434 45.100 0.073 0.000 1.020 720 G HN 0.894 nan 8.290 nan 0.000 0.807 721 L N -1.993 119.273 121.223 0.073 0.000 3.683 721 L HA -0.473 3.866 4.340 -0.002 0.000 0.053 721 L C 1.847 178.768 176.870 0.085 0.000 4.276 721 L CA 3.914 58.800 54.840 0.077 0.000 0.727 721 L CB -1.624 40.474 42.059 0.064 0.000 3.467 721 L HN 1.135 nan 8.230 nan 0.000 0.839 722 E N 0.158 120.405 120.200 0.079 0.000 4.351 722 E HA -0.423 3.926 4.350 -0.002 0.000 0.199 722 E C 0.822 177.483 176.600 0.102 0.000 1.340 722 E CA 2.169 58.621 56.400 0.086 0.000 2.184 722 E CB -1.461 28.293 29.700 0.090 0.000 1.925 722 E HN 0.962 nan 8.360 nan 0.000 0.263 723 D N 1.265 121.741 120.400 0.127 0.000 3.133 723 D HA -0.131 4.508 4.640 -0.002 0.000 0.239 723 D C -0.530 175.921 176.300 0.252 0.000 1.136 723 D CA 1.320 55.419 54.000 0.166 0.000 0.898 723 D CB -0.860 40.000 40.800 0.101 0.000 0.959 723 D HN 0.376 nan 8.370 nan 0.000 0.415 724 T N 0.167 114.868 114.554 0.244 0.000 2.928 724 T HA 0.688 5.037 4.350 -0.002 0.000 0.284 724 T C -2.587 172.263 174.700 0.249 0.000 1.008 724 T CA -1.679 60.571 62.100 0.249 0.000 1.057 724 T CB 2.022 70.990 68.868 0.168 0.000 1.018 724 T HN -0.036 nan 8.240 nan 0.000 0.493 725 P HA 0.218 nan 4.420 nan 0.000 0.267 725 P C -0.659 176.840 177.300 0.331 0.000 1.209 725 P CA -0.105 63.011 63.100 0.028 0.000 0.763 725 P CB 0.259 31.868 31.700 -0.152 0.000 0.816 726 Q N 1.679 121.619 119.800 0.234 0.000 2.301 726 Q HA 0.493 4.832 4.340 -0.002 0.000 0.267 726 Q C -0.983 174.956 176.000 -0.101 0.000 1.035 726 Q CA -0.733 55.141 55.803 0.119 0.000 0.856 726 Q CB 1.612 30.382 28.738 0.053 0.000 1.337 726 Q HN 0.348 nan 8.270 nan 0.000 0.450 727 F N 2.005 121.655 119.950 -0.500 0.000 2.404 727 F HA 0.258 4.784 4.527 -0.002 0.000 0.358 727 F C -0.139 175.400 175.800 -0.435 0.000 1.120 727 F CA -0.273 57.264 58.000 -0.772 0.000 1.144 727 F CB 0.634 39.023 39.000 -1.019 0.000 1.133 727 F HN 0.223 nan 8.300 nan 0.000 0.495 728 K N 7.068 127.083 120.400 -0.641 0.000 2.281 728 K HA 0.439 4.758 4.320 -0.002 0.000 0.272 728 K C -1.093 175.265 176.600 -0.403 0.000 1.048 728 K CA -0.682 55.376 56.287 -0.382 0.000 0.898 728 K CB 0.591 32.927 32.500 -0.273 0.000 1.128 728 K HN 0.567 nan 8.250 nan 0.000 0.460 729 I N 3.837 124.280 120.570 -0.211 0.000 2.322 729 I HA 0.027 4.196 4.170 -0.002 0.000 0.292 729 I C 0.240 176.320 176.117 -0.061 0.000 1.060 729 I CA 0.069 61.302 61.300 -0.112 0.000 1.309 729 I CB 0.833 38.801 38.000 -0.053 0.000 1.415 729 I HN 0.473 nan 8.210 nan 0.000 0.492 730 D N 8.230 128.595 120.400 -0.057 0.000 2.428 730 D HA 0.257 4.896 4.640 -0.002 0.000 0.221 730 D C -0.197 176.125 176.300 0.036 0.000 1.123 730 D CA -0.469 53.516 54.000 -0.025 0.000 0.869 730 D CB 0.752 41.521 40.800 -0.052 0.000 1.032 730 D HN 0.330 nan 8.370 nan 0.000 0.506 731 I N 2.976 123.583 120.570 0.061 0.000 2.452 731 I HA -0.011 4.158 4.170 -0.002 0.000 0.287 731 I C 1.066 177.219 176.117 0.061 0.000 1.079 731 I CA -0.174 61.188 61.300 0.104 0.000 1.387 731 I CB 0.664 38.710 38.000 0.077 0.000 1.404 731 I HN 0.188 nan 8.210 nan 0.000 0.522 732 D N 7.278 127.731 120.400 0.088 0.000 2.383 732 D HA -0.023 4.616 4.640 -0.002 0.000 0.245 732 D C 1.039 177.351 176.300 0.019 0.000 1.263 732 D CA 0.019 54.050 54.000 0.051 0.000 0.936 732 D CB 0.870 41.710 40.800 0.066 0.000 1.053 732 D HN 0.518 nan 8.370 nan 0.000 0.507 733 Q N 2.466 122.263 119.800 -0.005 0.000 2.135 733 Q HA -0.208 4.131 4.340 -0.002 0.000 0.204 733 Q C 1.688 177.667 176.000 -0.035 0.000 0.981 733 Q CA 1.312 57.096 55.803 -0.032 0.000 0.856 733 Q CB 0.125 28.847 28.738 -0.026 0.000 0.902 733 Q HN 0.753 nan 8.270 nan 0.000 0.425 734 E N 0.043 120.233 120.200 -0.016 0.000 2.158 734 E HA -0.071 4.278 4.350 -0.002 0.000 0.191 734 E C 1.712 178.306 176.600 -0.011 0.000 0.982 734 E CA 0.491 56.883 56.400 -0.014 0.000 0.823 734 E CB -0.085 29.611 29.700 -0.006 0.000 0.766 734 E HN 0.131 nan 8.360 nan 0.000 0.468 735 K N 0.652 121.054 120.400 0.003 0.000 2.155 735 K HA 0.034 4.353 4.320 -0.002 0.000 0.203 735 K C 2.222 178.822 176.600 -0.001 0.000 1.052 735 K CA 0.876 57.175 56.287 0.020 0.000 0.948 735 K CB -0.024 32.510 32.500 0.058 0.000 0.728 735 K HN 0.191 nan 8.250 nan 0.000 0.448 736 A N 1.280 124.068 122.820 -0.054 0.000 1.873 736 A HA -0.208 4.111 4.320 -0.002 0.000 0.215 736 A C 2.044 179.547 177.584 -0.136 0.000 1.186 736 A CA 1.274 53.206 52.037 -0.174 0.000 0.616 736 A CB -0.450 18.370 19.000 -0.301 0.000 0.823 736 A HN 0.291 nan 8.150 nan 0.000 0.442 737 Q N -0.887 118.857 119.800 -0.094 0.000 2.291 737 Q HA -0.012 4.327 4.340 -0.002 0.000 0.205 737 Q C 2.047 178.021 176.000 -0.044 0.000 0.970 737 Q CA 0.952 56.714 55.803 -0.069 0.000 0.876 737 Q CB -0.227 28.479 28.738 -0.053 0.000 0.935 737 Q HN 0.654 nan 8.270 nan 0.000 0.455 738 A N 0.468 123.269 122.820 -0.032 0.000 1.929 738 A HA -0.109 4.210 4.320 -0.002 0.000 0.216 738 A C 1.803 179.382 177.584 -0.009 0.000 1.176 738 A CA 1.136 53.165 52.037 -0.014 0.000 0.628 738 A CB -0.321 18.677 19.000 -0.003 0.000 0.816 738 A HN 0.452 nan 8.150 nan 0.000 0.444 739 L N -3.870 117.348 121.223 -0.009 0.000 2.567 739 L HA 0.592 4.931 4.340 -0.002 0.000 0.225 739 L C 1.172 178.037 176.870 -0.007 0.000 1.119 739 L CA 0.997 55.840 54.840 0.006 0.000 0.871 739 L CB -0.323 41.758 42.059 0.036 0.000 1.036 739 L HN 0.549 nan 8.230 nan 0.000 0.459 740 G N -0.096 108.684 108.800 -0.034 0.000 2.143 740 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.175 740 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.175 740 G C 0.029 174.893 174.900 -0.059 0.000 1.004 740 G CA -0.180 44.899 45.100 -0.035 0.000 0.671 740 G HN 0.652 nan 8.290 nan 0.000 0.512 741 V N -1.439 118.407 119.914 -0.113 0.000 2.612 741 V HA 0.893 5.011 4.120 -0.002 0.000 0.301 741 V C 0.685 176.677 176.094 -0.170 0.000 1.046 741 V CA -0.296 61.906 62.300 -0.163 0.000 0.946 741 V CB 1.687 33.331 31.823 -0.298 0.000 1.003 741 V HN 0.785 nan 8.190 nan 0.000 0.459 742 S N 1.964 117.582 115.700 -0.136 0.000 2.565 742 S HA 0.483 4.952 4.470 -0.002 0.000 0.274 742 S C 0.978 175.493 174.600 -0.142 0.000 1.309 742 S CA -0.621 57.513 58.200 -0.110 0.000 1.043 742 S CB 0.562 63.723 63.200 -0.064 0.000 0.939 742 S HN 0.650 nan 8.310 nan 0.000 0.504 743 I N 3.975 124.475 120.570 -0.117 0.000 2.315 743 I HA -0.150 4.019 4.170 -0.002 0.000 0.248 743 I C 2.245 178.320 176.117 -0.070 0.000 1.117 743 I CA 0.913 62.146 61.300 -0.111 0.000 1.404 743 I CB -0.365 37.589 38.000 -0.078 0.000 1.071 743 I HN 0.667 nan 8.210 nan 0.000 0.419 744 N N 0.776 119.448 118.700 -0.046 0.000 2.309 744 N HA -0.151 4.587 4.740 -0.002 0.000 0.182 744 N C 1.145 176.649 175.510 -0.009 0.000 1.018 744 N CA 1.087 54.127 53.050 -0.017 0.000 0.876 744 N CB -0.059 38.423 38.487 -0.008 0.000 0.972 744 N HN 0.391 nan 8.380 nan 0.000 0.434 745 D N 1.075 121.457 120.400 -0.029 0.000 2.149 745 D HA 0.012 4.651 4.640 -0.002 0.000 0.201 745 D C 2.046 178.346 176.300 -0.001 0.000 0.972 745 D CA 0.477 54.470 54.000 -0.011 0.000 0.835 745 D CB 0.047 40.831 40.800 -0.027 0.000 0.966 745 D HN 0.283 nan 8.370 nan 0.000 0.476 746 I N 1.043 121.573 120.570 -0.066 0.000 2.233 746 I HA -0.190 3.979 4.170 -0.002 0.000 0.243 746 I C 1.970 178.147 176.117 0.099 0.000 1.093 746 I CA 0.684 61.948 61.300 -0.059 0.000 1.380 746 I CB -0.191 37.639 38.000 -0.283 0.000 1.067 746 I HN -0.107 nan 8.210 nan 0.000 0.413 747 N N 0.407 119.139 118.700 0.053 0.000 2.309 747 N HA -0.112 4.627 4.740 -0.002 0.000 0.182 747 N C 1.808 177.369 175.510 0.086 0.000 1.018 747 N CA 1.595 54.690 53.050 0.075 0.000 0.876 747 N CB -0.349 38.164 38.487 0.042 0.000 0.972 747 N HN 0.359 nan 8.380 nan 0.000 0.434 748 T N -0.016 114.584 114.554 0.078 0.000 2.857 748 T HA -0.037 4.312 4.350 -0.002 0.000 0.266 748 T C 1.918 176.669 174.700 0.086 0.000 1.048 748 T CA 1.220 63.367 62.100 0.078 0.000 1.139 748 T CB -0.376 68.531 68.868 0.065 0.000 0.874 748 T HN 0.252 nan 8.240 nan 0.000 0.455 749 T N 2.308 116.936 114.554 0.123 0.000 2.746 749 T HA 0.002 4.351 4.350 -0.002 0.000 0.267 749 T C 1.842 176.579 174.700 0.063 0.000 1.039 749 T CA 0.756 62.940 62.100 0.141 0.000 1.142 749 T CB -0.352 68.708 68.868 0.319 0.000 0.866 749 T HN 0.099 nan 8.240 nan 0.000 0.444 750 L N 0.857 122.170 121.223 0.149 0.000 2.179 750 L HA 0.276 4.615 4.340 -0.002 0.000 0.208 750 L C 2.436 179.321 176.870 0.025 0.000 1.096 750 L CA 1.378 56.215 54.840 -0.006 0.000 0.779 750 L CB -0.816 41.266 42.059 0.038 0.000 0.922 750 L HN 0.275 nan 8.230 nan 0.000 0.443 751 G N -1.297 107.541 108.800 0.064 0.000 2.395 751 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.214 751 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.214 751 G C 1.530 176.493 174.900 0.105 0.000 1.177 751 G CA 0.530 45.683 45.100 0.088 0.000 0.794 751 G HN 0.502 nan 8.290 nan 0.000 0.532 752 A N 0.714 123.578 122.820 0.073 0.000 1.970 752 A HA 0.498 4.817 4.320 -0.002 0.000 0.216 752 A C 2.516 180.108 177.584 0.013 0.000 1.170 752 A CA 1.805 53.880 52.037 0.063 0.000 0.645 752 A CB -0.325 18.707 19.000 0.054 0.000 0.816 752 A HN 0.688 nan 8.150 nan 0.000 0.447 753 A N -2.866 119.895 122.820 -0.098 0.000 2.238 753 A HA 0.257 4.576 4.320 -0.002 0.000 0.210 753 A C 1.498 178.877 177.584 -0.341 0.000 1.179 753 A CA 0.577 52.406 52.037 -0.348 0.000 0.827 753 A CB -0.402 17.929 19.000 -1.116 0.000 0.856 753 A HN 0.684 nan 8.150 nan 0.000 0.488 754 W N -2.093 119.105 121.300 -0.170 0.000 3.471 754 W HA 0.285 4.944 4.660 -0.002 0.000 0.230 754 W C 2.224 178.746 176.519 0.006 0.000 1.105 754 W CA 0.596 57.895 57.345 -0.077 0.000 1.631 754 W CB -0.193 29.180 29.460 -0.144 0.000 0.848 754 W HN 0.206 nan 8.180 nan 0.000 0.766 755 G N -0.229 108.710 108.800 0.231 0.000 2.576 755 G HA2 0.425 4.384 3.960 -0.002 0.000 0.210 755 G HA3 0.425 4.384 3.960 -0.002 0.000 0.210 755 G C 0.594 175.596 174.900 0.169 0.000 1.143 755 G CA 0.721 45.929 45.100 0.180 0.000 0.819 755 G HN 0.467 nan 8.290 nan 0.000 0.534 756 G N -1.264 107.635 108.800 0.165 0.000 2.770 756 G HA2 0.292 4.251 3.960 -0.002 0.000 0.686 756 G HA3 0.292 4.251 3.960 -0.002 0.000 0.686 756 G C -0.638 174.405 174.900 0.238 0.000 1.180 756 G CA 0.043 45.254 45.100 0.184 0.000 0.767 756 G HN 0.910 nan 8.290 nan 0.000 0.646 757 S N 0.169 116.005 115.700 0.227 0.000 2.482 757 S HA 0.650 5.119 4.470 -0.002 0.000 0.303 757 S C -0.548 174.134 174.600 0.136 0.000 1.091 757 S CA -0.591 57.726 58.200 0.195 0.000 1.057 757 S CB 1.120 64.389 63.200 0.114 0.000 1.031 757 S HN 1.310 nan 8.310 nan 0.000 0.485 758 Y N 5.989 126.259 120.300 -0.049 0.000 2.585 758 Y HA 0.330 4.878 4.550 -0.002 0.000 0.354 758 Y C 0.783 176.571 175.900 -0.186 0.000 1.024 758 Y CA -0.042 57.866 58.100 -0.321 0.000 1.321 758 Y CB -0.018 38.299 38.460 -0.239 0.000 1.151 758 Y HN 0.488 nan 8.280 nan 0.000 0.525 759 V N 5.521 125.328 119.914 -0.179 0.000 2.284 759 V HA -0.067 4.052 4.120 -0.002 0.000 0.236 759 V C 0.779 176.883 176.094 0.017 0.000 1.044 759 V CA 1.575 63.849 62.300 -0.043 0.000 1.019 759 V CB -0.431 31.353 31.823 -0.065 0.000 0.657 759 V HN 0.869 nan 8.190 nan 0.000 0.465 760 N N -0.541 118.094 118.700 -0.108 0.000 3.439 760 N HA 0.284 5.023 4.740 -0.002 0.000 0.313 760 N C -2.040 173.419 175.510 -0.085 0.000 1.598 760 N CA -0.716 52.336 53.050 0.004 0.000 0.830 760 N CB 1.676 40.196 38.487 0.055 0.000 1.849 760 N HN 0.202 nan 8.380 nan 0.000 0.598 761 D N -0.355 120.082 120.400 0.062 0.000 2.252 761 D HA 0.567 5.206 4.640 -0.002 0.000 0.245 761 D C -1.151 175.278 176.300 0.216 0.000 1.009 761 D CA -0.300 53.757 54.000 0.093 0.000 0.870 761 D CB 1.665 42.515 40.800 0.083 0.000 1.251 761 D HN 0.485 nan 8.370 nan 0.000 0.460 762 F N -0.470 119.498 119.950 0.031 0.000 2.620 762 F HA 0.646 5.172 4.527 -0.002 0.000 0.320 762 F C -1.482 174.356 175.800 0.063 0.000 1.069 762 F CA -1.276 56.779 58.000 0.093 0.000 0.953 762 F CB 1.025 40.167 39.000 0.236 0.000 1.322 762 F HN 0.033 nan 8.300 nan 0.000 0.479 763 I N 2.295 122.772 120.570 -0.154 0.000 2.315 763 I HA 0.235 4.404 4.170 -0.002 0.000 0.291 763 I C -1.002 174.919 176.117 -0.327 0.000 1.006 763 I CA -0.146 60.995 61.300 -0.265 0.000 1.265 763 I CB 0.672 38.639 38.000 -0.054 0.000 1.387 763 I HN 0.625 nan 8.210 nan 0.000 0.475 764 D N 7.196 127.321 120.400 -0.457 0.000 2.453 764 D HA 0.364 5.003 4.640 -0.002 0.000 0.238 764 D C 0.151 176.412 176.300 -0.065 0.000 1.088 764 D CA -0.460 53.426 54.000 -0.190 0.000 0.854 764 D CB 0.569 41.233 40.800 -0.227 0.000 1.076 764 D HN 0.505 nan 8.370 nan 0.000 0.533 765 R N 2.611 123.115 120.500 0.008 0.000 3.225 765 R HA -0.155 4.184 4.340 -0.002 0.000 0.245 765 R C 0.831 177.122 176.300 -0.016 0.000 0.928 765 R CA 0.592 56.702 56.100 0.016 0.000 0.632 765 R CB -2.632 27.695 30.300 0.045 0.000 1.038 765 R HN 0.800 nan 8.270 nan 0.000 0.461 766 G N -0.242 108.538 108.800 -0.034 0.000 2.225 766 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.264 766 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.264 766 G C -0.109 174.750 174.900 -0.068 0.000 1.060 766 G CA 0.334 45.407 45.100 -0.045 0.000 0.833 766 G HN 0.777 nan 8.290 nan 0.000 0.498 767 R N -0.787 119.651 120.500 -0.103 0.000 2.515 767 R HA 0.526 4.865 4.340 -0.002 0.000 0.278 767 R C -0.488 175.695 176.300 -0.194 0.000 1.107 767 R CA -0.384 55.642 56.100 -0.123 0.000 0.945 767 R CB 1.714 31.949 30.300 -0.108 0.000 1.219 767 R HN 0.759 nan 8.270 nan 0.000 0.434 768 V N 5.420 125.246 119.914 -0.148 0.000 2.415 768 V HA 0.367 4.486 4.120 -0.002 0.000 0.267 768 V C -0.696 175.295 176.094 -0.172 0.000 1.042 768 V CA 0.580 62.783 62.300 -0.160 0.000 1.000 768 V CB 0.081 31.861 31.823 -0.072 0.000 1.015 768 V HN 0.723 nan 8.190 nan 0.000 0.478 769 K N 5.065 125.274 120.400 -0.317 0.000 2.400 769 K HA 0.600 4.919 4.320 -0.002 0.000 0.246 769 K C -0.744 175.843 176.600 -0.021 0.000 0.995 769 K CA -1.012 55.157 56.287 -0.197 0.000 0.840 769 K CB 2.380 34.720 32.500 -0.267 0.000 1.293 769 K HN 0.574 nan 8.250 nan 0.000 0.445 770 K N 0.506 120.951 120.400 0.074 0.000 2.090 770 K HA 0.392 4.711 4.320 -0.002 0.000 0.250 770 K C -0.712 175.850 176.600 -0.063 0.000 1.004 770 K CA -0.700 55.521 56.287 -0.111 0.000 0.919 770 K CB 1.070 33.434 32.500 -0.228 0.000 1.045 770 K HN 0.109 nan 8.250 nan 0.000 0.471 771 V N 2.775 122.438 119.914 -0.417 0.000 2.376 771 V HA 0.253 4.372 4.120 -0.002 0.000 0.287 771 V C -1.337 174.430 176.094 -0.545 0.000 1.015 771 V CA -0.820 61.247 62.300 -0.388 0.000 0.834 771 V CB 0.148 31.829 31.823 -0.237 0.000 1.001 771 V HN 0.564 nan 8.190 nan 0.000 0.428 772 Y N 2.833 122.949 120.300 -0.308 0.000 2.409 772 Y HA 0.692 5.241 4.550 -0.002 0.000 0.339 772 Y C 0.033 175.754 175.900 -0.298 0.000 1.033 772 Y CA -0.758 57.189 58.100 -0.254 0.000 1.094 772 Y CB 2.226 40.562 38.460 -0.206 0.000 1.210 772 Y HN 0.392 nan 8.280 nan 0.000 0.456 773 V N 5.784 125.678 119.914 -0.033 0.000 2.443 773 V HA 0.373 4.492 4.120 -0.002 0.000 0.293 773 V C -0.444 175.643 176.094 -0.012 0.000 1.021 773 V CA -0.247 61.999 62.300 -0.090 0.000 0.848 773 V CB 1.550 33.346 31.823 -0.045 0.000 0.998 773 V HN 1.056 nan 8.190 nan 0.000 0.424 774 M N 4.881 124.458 119.600 -0.039 0.000 2.163 774 M HA 0.281 4.760 4.480 -0.002 0.000 0.356 774 M C 0.173 176.612 176.300 0.232 0.000 0.863 774 M CA 0.928 56.296 55.300 0.113 0.000 1.113 774 M CB 0.681 33.392 32.600 0.186 0.000 2.038 774 M HN 1.126 nan 8.290 nan 0.000 0.691 775 S N 1.061 116.955 115.700 0.324 0.000 3.377 775 S HA -0.138 4.331 4.470 -0.002 0.000 0.846 775 S C -0.661 174.250 174.600 0.518 0.000 1.142 775 S CA 0.155 58.613 58.200 0.431 0.000 1.051 775 S CB -0.918 62.554 63.200 0.453 0.000 0.704 775 S HN 0.604 nan 8.310 nan 0.000 0.286 776 E N 1.701 122.152 120.200 0.419 0.000 2.437 776 E HA 0.341 4.690 4.350 -0.002 0.000 0.263 776 E C 1.688 178.299 176.600 0.019 0.000 1.030 776 E CA 0.227 56.725 56.400 0.164 0.000 0.934 776 E CB 0.227 30.061 29.700 0.223 0.000 0.943 776 E HN 0.942 nan 8.360 nan 0.000 0.444 777 A N 3.456 126.144 122.820 -0.220 0.000 1.972 777 A HA -0.215 4.104 4.320 -0.002 0.000 0.219 777 A C 1.957 179.381 177.584 -0.265 0.000 1.169 777 A CA 1.601 53.497 52.037 -0.235 0.000 0.635 777 A CB -0.269 18.552 19.000 -0.298 0.000 0.810 777 A HN 0.565 nan 8.150 nan 0.000 0.446 778 K N -0.986 119.183 120.400 -0.385 0.000 2.189 778 K HA -0.196 4.123 4.320 -0.002 0.000 0.207 778 K C 0.287 176.464 176.600 -0.706 0.000 1.046 778 K CA 1.802 57.703 56.287 -0.645 0.000 0.928 778 K CB -0.447 31.446 32.500 -1.011 0.000 0.720 778 K HN 0.652 nan 8.250 nan 0.000 0.458 779 Y N -0.545 119.644 120.300 -0.186 0.000 2.696 779 Y HA 0.287 4.836 4.550 -0.002 0.000 0.260 779 Y C 0.180 175.903 175.900 -0.296 0.000 1.165 779 Y CA -0.477 57.484 58.100 -0.231 0.000 1.189 779 Y CB 0.498 38.760 38.460 -0.330 0.000 1.180 779 Y HN 0.053 nan 8.280 nan 0.000 0.538 780 R N -2.153 118.178 120.500 -0.282 0.000 2.494 780 R HA 0.249 4.588 4.340 -0.002 0.000 0.400 780 R C 0.285 176.461 176.300 -0.206 0.000 0.856 780 R CA -0.037 55.661 56.100 -0.669 0.000 1.112 780 R CB -0.375 29.341 30.300 -0.972 0.000 1.697 780 R HN 0.056 nan 8.270 nan 0.000 0.544 781 M N 0.411 119.955 119.600 -0.093 0.000 2.476 781 M HA 0.269 4.748 4.480 -0.002 0.000 0.262 781 M C 0.002 176.331 176.300 0.049 0.000 1.111 781 M CA 0.641 55.930 55.300 -0.019 0.000 1.127 781 M CB -0.321 32.238 32.600 -0.068 0.000 1.376 781 M HN 0.138 nan 8.290 nan 0.000 0.465 782 L N -0.208 121.057 121.223 0.069 0.000 2.323 782 L HA 0.355 4.694 4.340 -0.002 0.000 0.265 782 L C -1.436 175.460 176.870 0.043 0.000 1.012 782 L CA -1.457 53.415 54.840 0.053 0.000 0.820 782 L CB 1.232 43.306 42.059 0.024 0.000 1.334 782 L HN -0.171 nan 8.230 nan 0.000 0.427 783 P HA -0.099 nan 4.420 nan 0.000 0.222 783 P C 0.163 177.354 177.300 -0.182 0.000 1.147 783 P CA 1.075 63.877 63.100 -0.497 0.000 0.790 783 P CB 0.333 31.568 31.700 -0.774 0.000 0.780 784 D N -0.251 120.130 120.400 -0.032 0.000 2.312 784 D HA -0.093 4.546 4.640 -0.002 0.000 0.211 784 D C 1.355 177.695 176.300 0.066 0.000 0.964 784 D CA 0.763 54.776 54.000 0.022 0.000 0.877 784 D CB -0.500 40.315 40.800 0.025 0.000 0.924 784 D HN 0.128 nan 8.370 nan 0.000 0.515 785 D N -0.061 120.423 120.400 0.140 0.000 2.312 785 D HA -0.028 4.611 4.640 -0.002 0.000 0.211 785 D C 1.987 178.539 176.300 0.420 0.000 0.964 785 D CA 0.233 54.364 54.000 0.218 0.000 0.877 785 D CB 0.048 40.978 40.800 0.215 0.000 0.924 785 D HN 0.321 nan 8.370 nan 0.000 0.515 786 I N 0.918 121.719 120.570 0.384 0.000 2.226 786 I HA -0.159 4.010 4.170 -0.002 0.000 0.245 786 I C 2.500 178.708 176.117 0.151 0.000 1.100 786 I CA 1.311 62.759 61.300 0.245 0.000 1.374 786 I CB -0.368 37.518 38.000 -0.189 0.000 1.057 786 I HN 0.014 nan 8.210 nan 0.000 0.413 787 G N 0.128 108.971 108.800 0.072 0.000 2.509 787 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.218 787 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.218 787 G C 0.986 175.837 174.900 -0.081 0.000 1.124 787 G CA 0.663 45.762 45.100 -0.003 0.000 0.776 787 G HN 0.328 nan 8.290 nan 0.000 0.547 788 D N -0.615 119.753 120.400 -0.053 0.000 2.317 788 D HA 0.036 4.675 4.640 -0.002 0.000 0.211 788 D C 0.400 176.567 176.300 -0.221 0.000 0.966 788 D CA 0.111 54.019 54.000 -0.154 0.000 0.876 788 D CB 0.065 40.738 40.800 -0.212 0.000 0.927 788 D HN 0.470 nan 8.370 nan 0.000 0.519 789 W N 0.071 121.374 121.300 0.005 0.000 2.316 789 W HA 0.420 5.079 4.660 -0.002 0.000 0.321 789 W C -0.303 176.273 176.519 0.093 0.000 1.203 789 W CA -0.598 56.834 57.345 0.144 0.000 1.214 789 W CB 0.455 30.029 29.460 0.190 0.000 1.169 789 W HN -0.184 nan 8.180 nan 0.000 0.561 790 Y N 1.141 121.759 120.300 0.529 0.000 2.462 790 Y HA 0.585 5.134 4.550 -0.002 0.000 0.346 790 Y C -0.283 175.833 175.900 0.360 0.000 0.976 790 Y CA -1.244 57.078 58.100 0.371 0.000 1.044 790 Y CB 1.666 40.247 38.460 0.202 0.000 1.230 790 Y HN -0.041 nan 8.280 nan 0.000 0.455 791 V N 3.395 123.568 119.914 0.433 0.000 2.540 791 V HA 0.449 4.568 4.120 -0.002 0.000 0.302 791 V C -0.341 175.871 176.094 0.196 0.000 1.035 791 V CA -1.218 61.242 62.300 0.267 0.000 0.873 791 V CB 1.713 33.612 31.823 0.126 0.000 0.992 791 V HN 0.685 nan 8.190 nan 0.000 0.428 792 R N 3.336 123.922 120.500 0.142 0.000 2.347 792 R HA 0.593 4.932 4.340 -0.002 0.000 0.304 792 R C 0.215 176.547 176.300 0.053 0.000 1.072 792 R CA 0.077 56.236 56.100 0.099 0.000 0.980 792 R CB 0.704 31.055 30.300 0.085 0.000 0.986 792 R HN 0.906 nan 8.270 nan 0.000 0.448 793 A N 3.551 126.400 122.820 0.049 0.000 2.272 793 A HA 0.461 4.779 4.320 -0.002 0.000 0.275 793 A C 1.134 178.727 177.584 0.015 0.000 1.096 793 A CA 0.136 52.184 52.037 0.019 0.000 0.822 793 A CB 0.543 19.560 19.000 0.027 0.000 1.088 793 A HN 0.983 nan 8.150 nan 0.000 0.495 794 A N 0.189 123.010 122.820 0.002 0.000 1.978 794 A HA -0.125 4.194 4.320 -0.002 0.000 0.220 794 A C 1.241 178.830 177.584 0.009 0.000 1.170 794 A CA 1.931 53.969 52.037 0.002 0.000 0.636 794 A CB -0.632 18.365 19.000 -0.005 0.000 0.810 794 A HN 0.830 nan 8.150 nan 0.000 0.448 795 D N -1.354 119.053 120.400 0.012 0.000 2.324 795 D HA 0.257 4.896 4.640 -0.002 0.000 0.235 795 D C 1.031 177.343 176.300 0.020 0.000 1.095 795 D CA 0.665 54.674 54.000 0.015 0.000 0.871 795 D CB -0.923 39.886 40.800 0.015 0.000 0.906 795 D HN 0.786 nan 8.370 nan 0.000 0.522 796 G N 0.892 109.706 108.800 0.024 0.000 2.182 796 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.248 796 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.248 796 G C -0.325 174.595 174.900 0.033 0.000 1.042 796 G CA 0.234 45.351 45.100 0.029 0.000 0.775 796 G HN 0.581 nan 8.290 nan 0.000 0.501 797 Q N -1.560 118.264 119.800 0.040 0.000 2.389 797 Q HA 0.838 5.177 4.340 -0.002 0.000 0.277 797 Q C -0.262 175.784 176.000 0.076 0.000 1.082 797 Q CA -1.308 54.521 55.803 0.045 0.000 0.810 797 Q CB 0.965 29.725 28.738 0.037 0.000 1.374 797 Q HN 0.080 nan 8.270 nan 0.000 0.422 798 M N 1.278 120.926 119.600 0.080 0.000 2.238 798 M HA 0.412 4.891 4.480 -0.002 0.000 0.347 798 M C -0.988 175.482 176.300 0.283 0.000 1.173 798 M CA -0.240 55.161 55.300 0.168 0.000 1.147 798 M CB 1.237 33.873 32.600 0.059 0.000 1.547 798 M HN 0.609 nan 8.290 nan 0.000 0.455 799 V N 6.243 126.385 119.914 0.380 0.000 2.525 799 V HA 0.518 4.637 4.120 -0.002 0.000 0.299 799 V C -2.214 174.068 176.094 0.315 0.000 1.034 799 V CA -1.526 60.985 62.300 0.352 0.000 0.863 799 V CB 1.921 33.920 31.823 0.294 0.000 0.999 799 V HN 0.734 nan 8.190 nan 0.000 0.423 800 P HA 0.220 nan 4.420 nan 0.000 0.272 800 P C 0.622 177.646 177.300 -0.461 0.000 1.240 800 P CA -0.147 62.715 63.100 -0.398 0.000 0.791 800 P CB 1.150 32.599 31.700 -0.418 0.000 0.978 801 F N 0.847 120.434 119.950 -0.604 0.000 2.113 801 F HA -0.208 4.318 4.527 -0.002 0.000 0.297 801 F C 2.770 177.974 175.800 -0.994 0.000 1.103 801 F CA 2.556 59.959 58.000 -0.995 0.000 1.248 801 F CB -0.712 38.082 39.000 -0.343 0.000 0.999 801 F HN 0.302 nan 8.300 nan 0.000 0.475 802 S N 0.066 115.582 115.700 -0.307 0.000 2.440 802 S HA -0.202 4.267 4.470 -0.002 0.000 0.238 802 S C 1.991 176.455 174.600 -0.227 0.000 1.010 802 S CA 0.821 58.901 58.200 -0.200 0.000 0.972 802 S CB -0.872 62.271 63.200 -0.095 0.000 0.774 802 S HN 0.291 nan 8.310 nan 0.000 0.501 803 A N 0.862 123.493 122.820 -0.314 0.000 2.119 803 A HA 0.326 4.645 4.320 -0.002 0.000 0.217 803 A C 1.591 179.143 177.584 -0.054 0.000 1.153 803 A CA 0.827 52.778 52.037 -0.144 0.000 0.692 803 A CB -0.651 18.317 19.000 -0.052 0.000 0.799 803 A HN 0.951 nan 8.150 nan 0.000 0.458 804 F N -2.203 117.722 119.950 -0.041 0.000 2.915 804 F HA 0.363 4.889 4.527 -0.002 0.000 0.347 804 F C 0.285 176.056 175.800 -0.049 0.000 1.104 804 F CA -0.036 57.926 58.000 -0.063 0.000 1.126 804 F CB -0.045 38.886 39.000 -0.115 0.000 1.145 804 F HN 0.064 nan 8.300 nan 0.000 0.541 805 S N 0.459 116.106 115.700 -0.088 0.000 2.500 805 S HA 0.633 5.102 4.470 -0.002 0.000 0.301 805 S C -0.564 174.041 174.600 0.008 0.000 1.092 805 S CA -0.543 57.688 58.200 0.050 0.000 1.030 805 S CB 1.808 65.098 63.200 0.150 0.000 1.031 805 S HN 0.239 nan 8.310 nan 0.000 0.483 806 S N 1.827 117.535 115.700 0.012 0.000 2.616 806 S HA 0.688 5.157 4.470 -0.002 0.000 0.277 806 S C -0.468 174.091 174.600 -0.067 0.000 1.234 806 S CA -0.502 57.683 58.200 -0.025 0.000 1.028 806 S CB 0.668 63.847 63.200 -0.034 0.000 0.988 806 S HN 0.781 nan 8.310 nan 0.000 0.522 807 S N 3.328 118.972 115.700 -0.093 0.000 2.596 807 S HA 0.567 5.036 4.470 -0.002 0.000 0.318 807 S C -0.823 173.543 174.600 -0.391 0.000 1.097 807 S CA -0.796 57.273 58.200 -0.218 0.000 1.080 807 S CB 0.949 64.210 63.200 0.101 0.000 0.991 807 S HN 0.687 nan 8.310 nan 0.000 0.471 808 R N 1.286 121.336 120.500 -0.749 0.000 2.621 808 R HA 0.333 4.672 4.340 -0.002 0.000 0.284 808 R C -1.606 174.226 176.300 -0.780 0.000 0.998 808 R CA -0.609 55.169 56.100 -0.537 0.000 0.895 808 R CB 1.752 31.879 30.300 -0.287 0.000 1.195 808 R HN 0.515 nan 8.270 nan 0.000 0.450 809 W N 2.039 123.102 121.300 -0.396 0.000 2.316 809 W HA 0.279 4.939 4.660 -0.001 0.000 0.311 809 W C 0.462 176.850 176.519 -0.219 0.000 1.217 809 W CA 0.305 57.492 57.345 -0.262 0.000 1.199 809 W CB 1.030 30.423 29.460 -0.113 0.000 1.202 809 W HN 0.393 nan 8.180 nan 0.000 0.528 810 E N 2.952 123.183 120.200 0.052 0.000 2.343 810 E HA 0.192 4.541 4.350 -0.002 0.000 0.278 810 E C -1.629 174.987 176.600 0.025 0.000 0.910 810 E CA -0.871 55.533 56.400 0.007 0.000 0.757 810 E CB 1.285 30.968 29.700 -0.029 0.000 1.218 810 E HN 0.388 nan 8.360 nan 0.000 0.435 811 Y N 1.007 121.363 120.300 0.094 0.000 2.411 811 Y HA 0.475 5.024 4.550 -0.002 0.000 0.333 811 Y C 0.990 176.940 175.900 0.082 0.000 1.186 811 Y CA 1.201 59.356 58.100 0.091 0.000 1.381 811 Y CB 1.514 40.010 38.460 0.060 0.000 1.273 811 Y HN 0.582 nan 8.280 nan 0.000 0.546 812 G N 0.723 109.709 108.800 0.309 0.000 2.646 812 G HA2 0.351 4.310 3.960 -0.002 0.000 0.291 812 G HA3 0.351 4.310 3.960 -0.002 0.000 0.291 812 G C -1.769 173.260 174.900 0.216 0.000 1.445 812 G CA -0.882 44.348 45.100 0.217 0.000 0.814 812 G HN 0.495 nan 8.290 nan 0.000 0.495 813 S N 0.136 115.951 115.700 0.191 0.000 2.525 813 S HA 0.620 5.089 4.470 -0.002 0.000 0.278 813 S C -1.248 173.404 174.600 0.087 0.000 1.234 813 S CA -1.478 56.818 58.200 0.160 0.000 1.058 813 S CB 1.616 64.894 63.200 0.131 0.000 0.983 813 S HN 0.362 nan 8.310 nan 0.000 0.495 814 P HA 0.159 nan 4.420 nan 0.000 0.251 814 P C -0.067 177.257 177.300 0.039 0.000 1.223 814 P CA 0.249 63.387 63.100 0.064 0.000 0.796 814 P CB 0.189 31.936 31.700 0.078 0.000 1.068 815 R N 0.697 121.216 120.500 0.032 0.000 3.107 815 R HA 0.300 4.639 4.340 -0.002 0.000 0.251 815 R C -1.022 175.271 176.300 -0.011 0.000 1.818 815 R CA -0.428 55.681 56.100 0.015 0.000 1.228 815 R CB 0.029 30.349 30.300 0.032 0.000 1.459 815 R HN 0.046 nan 8.270 nan 0.000 0.520 816 L N 2.253 123.441 121.223 -0.058 0.000 2.453 816 L HA 0.396 4.735 4.340 -0.002 0.000 0.261 816 L C 0.441 177.278 176.870 -0.055 0.000 1.179 816 L CA 0.045 54.813 54.840 -0.119 0.000 0.813 816 L CB 0.801 42.751 42.059 -0.182 0.000 1.110 816 L HN 0.400 nan 8.230 nan 0.000 0.466 817 E N 1.400 121.573 120.200 -0.045 0.000 2.317 817 E HA 0.580 4.929 4.350 -0.002 0.000 0.270 817 E C -1.366 175.238 176.600 0.006 0.000 0.885 817 E CA -0.985 55.413 56.400 -0.004 0.000 0.760 817 E CB 2.369 32.080 29.700 0.018 0.000 1.227 817 E HN 0.424 nan 8.360 nan 0.000 0.434 818 R N 1.844 122.360 120.500 0.026 0.000 2.538 818 R HA 0.324 4.663 4.340 -0.002 0.000 0.292 818 R C -1.550 174.796 176.300 0.077 0.000 1.008 818 R CA -0.855 55.267 56.100 0.038 0.000 0.896 818 R CB 1.679 31.983 30.300 0.007 0.000 1.187 818 R HN 0.528 nan 8.270 nan 0.000 0.440 819 Y N 3.321 123.592 120.300 -0.049 0.000 2.356 819 Y HA 0.190 4.739 4.550 -0.002 0.000 0.334 819 Y C 0.105 175.979 175.900 -0.043 0.000 0.958 819 Y CA -0.396 57.669 58.100 -0.058 0.000 1.196 819 Y CB 0.812 39.211 38.460 -0.102 0.000 1.137 819 Y HN 0.772 nan 8.280 nan 0.000 0.485 820 N N 4.461 122.979 118.700 -0.303 0.000 2.758 820 N HA -0.219 4.520 4.740 -0.002 0.000 0.248 820 N C 0.719 176.182 175.510 -0.078 0.000 1.076 820 N CA 0.787 53.712 53.050 -0.207 0.000 0.696 820 N CB -1.024 37.346 38.487 -0.196 0.000 0.979 820 N HN 1.217 nan 8.380 nan 0.000 0.550 821 G N -0.686 108.080 108.800 -0.057 0.000 2.143 821 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.248 821 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.248 821 G C -0.104 174.792 174.900 -0.008 0.000 0.991 821 G CA 0.651 45.734 45.100 -0.028 0.000 0.689 821 G HN 0.404 nan 8.290 nan 0.000 0.522 822 L N -0.090 121.138 121.223 0.008 0.000 2.408 822 L HA 0.472 4.811 4.340 -0.002 0.000 0.268 822 L C -2.405 174.483 176.870 0.031 0.000 0.986 822 L CA -2.569 52.283 54.840 0.020 0.000 0.820 822 L CB 2.570 44.644 42.059 0.025 0.000 1.303 822 L HN -0.216 nan 8.230 nan 0.000 0.411 823 P HA 0.029 nan 4.420 nan 0.000 0.262 823 P C -0.797 176.522 177.300 0.031 0.000 1.199 823 P CA 0.395 63.508 63.100 0.021 0.000 0.763 823 P CB 0.815 32.528 31.700 0.023 0.000 0.790 824 S N 3.554 119.273 115.700 0.032 0.000 2.564 824 S HA 0.736 5.205 4.470 -0.002 0.000 0.274 824 S C -1.155 173.452 174.600 0.013 0.000 1.124 824 S CA -0.736 57.474 58.200 0.016 0.000 0.869 824 S CB 0.722 63.934 63.200 0.020 0.000 1.105 824 S HN 0.232 nan 8.310 nan 0.000 0.472 825 M N 2.733 122.333 119.600 0.001 0.000 2.253 825 M HA 0.381 4.860 4.480 -0.002 0.000 0.314 825 M C -0.612 175.682 176.300 -0.010 0.000 1.019 825 M CA -0.418 54.893 55.300 0.019 0.000 0.932 825 M CB 1.918 34.553 32.600 0.060 0.000 1.606 825 M HN 0.725 nan 8.290 nan 0.000 0.430 826 E N 3.624 123.820 120.200 -0.006 0.000 2.180 826 E HA 0.287 4.636 4.350 -0.002 0.000 0.283 826 E C -1.402 175.220 176.600 0.036 0.000 1.061 826 E CA -0.354 56.034 56.400 -0.019 0.000 0.861 826 E CB 0.661 30.352 29.700 -0.016 0.000 1.056 826 E HN 0.467 nan 8.360 nan 0.000 0.407 827 I N 5.203 125.832 120.570 0.098 0.000 2.353 827 I HA 0.248 4.417 4.170 -0.002 0.000 0.293 827 I C -0.352 175.834 176.117 0.115 0.000 0.992 827 I CA -0.308 61.078 61.300 0.144 0.000 1.268 827 I CB 1.367 39.528 38.000 0.268 0.000 1.387 827 I HN 0.518 nan 8.210 nan 0.000 0.478 828 L N 5.992 127.209 121.223 -0.009 0.000 2.349 828 L HA 0.879 5.218 4.340 -0.002 0.000 0.278 828 L C -0.079 176.573 176.870 -0.363 0.000 0.996 828 L CA 0.095 54.848 54.840 -0.144 0.000 0.825 828 L CB 1.204 43.188 42.059 -0.124 0.000 1.243 828 L HN 0.743 nan 8.230 nan 0.000 0.412 829 G N 3.037 111.302 108.800 -0.892 0.000 2.866 829 G HA2 0.566 4.524 3.960 -0.002 0.000 0.289 829 G HA3 0.566 4.524 3.960 -0.002 0.000 0.289 829 G C -1.788 172.424 174.900 -1.147 0.000 1.396 829 G CA -0.373 44.000 45.100 -1.211 0.000 0.848 829 G HN 0.375 nan 8.290 nan 0.000 0.515 830 Q N -1.270 118.158 119.800 -0.621 0.000 2.458 830 Q HA 0.633 4.972 4.340 -0.002 0.000 0.282 830 Q C 0.912 176.976 176.000 0.106 0.000 1.106 830 Q CA -0.354 55.327 55.803 -0.203 0.000 0.814 830 Q CB 2.213 30.878 28.738 -0.121 0.000 1.425 830 Q HN 0.596 nan 8.270 nan 0.000 0.437 831 A N 1.042 123.931 122.820 0.116 0.000 1.823 831 A HA 0.484 4.803 4.320 -0.002 0.000 0.214 831 A C 0.262 177.900 177.584 0.091 0.000 1.225 831 A CA 1.608 53.729 52.037 0.140 0.000 0.604 831 A CB -0.205 18.842 19.000 0.078 0.000 0.878 831 A HN 0.927 nan 8.150 nan 0.000 0.450 832 A N -3.361 119.488 122.820 0.047 0.000 2.597 832 A HA 0.468 4.787 4.320 -0.002 0.000 0.302 832 A C -2.496 175.098 177.584 0.016 0.000 0.942 832 A CA 0.010 52.066 52.037 0.033 0.000 0.665 832 A CB -0.515 18.507 19.000 0.035 0.000 1.293 832 A HN 0.139 nan 8.150 nan 0.000 0.415 833 P HA 0.074 nan 4.420 nan 0.000 0.229 833 P C 1.185 178.485 177.300 -0.000 0.000 1.160 833 P CA 1.787 64.888 63.100 0.002 0.000 0.777 833 P CB 0.246 31.946 31.700 0.000 0.000 0.814 834 G N 0.071 108.875 108.800 0.006 0.000 2.808 834 G HA2 0.064 4.023 3.960 -0.002 0.000 0.210 834 G HA3 0.064 4.023 3.960 -0.002 0.000 0.210 834 G C 0.561 175.464 174.900 0.004 0.000 1.177 834 G CA -0.075 45.027 45.100 0.003 0.000 0.853 834 G HN 0.167 nan 8.290 nan 0.000 0.625 835 K N 0.623 121.029 120.400 0.010 0.000 2.138 835 K HA 0.571 4.889 4.320 -0.002 0.000 0.251 835 K C -0.927 175.679 176.600 0.009 0.000 1.015 835 K CA 0.155 56.447 56.287 0.008 0.000 0.917 835 K CB 1.176 33.681 32.500 0.009 0.000 1.021 835 K HN 0.104 nan 8.250 nan 0.000 0.485 836 S N 0.437 116.139 115.700 0.003 0.000 2.750 836 S HA 0.179 4.648 4.470 -0.002 0.000 0.276 836 S C -0.043 174.553 174.600 -0.006 0.000 1.165 836 S CA -0.526 57.679 58.200 0.008 0.000 1.047 836 S CB 1.541 64.746 63.200 0.007 0.000 1.056 836 S HN 0.859 nan 8.310 nan 0.000 0.481 837 T N 2.418 116.968 114.554 -0.007 0.000 12.792 837 T HA -0.348 4.001 4.350 -0.002 0.000 0.419 837 T C 1.723 176.344 174.700 -0.132 0.000 1.441 837 T CA 2.165 64.227 62.100 -0.063 0.000 2.374 837 T CB -1.684 67.149 68.868 -0.058 0.000 2.832 837 T HN 0.903 nan 8.240 nan 0.000 0.733 838 G N 1.565 110.311 108.800 -0.090 0.000 2.513 838 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.219 838 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.219 838 G C 1.242 176.080 174.900 -0.103 0.000 1.160 838 G CA 1.944 46.991 45.100 -0.089 0.000 0.767 838 G HN 0.767 nan 8.290 nan 0.000 0.571 839 E N 0.590 120.744 120.200 -0.077 0.000 2.170 839 E HA 0.333 4.682 4.350 -0.002 0.000 0.191 839 E C 2.675 179.211 176.600 -0.107 0.000 0.981 839 E CA 0.674 57.029 56.400 -0.076 0.000 0.830 839 E CB -0.341 29.334 29.700 -0.041 0.000 0.775 839 E HN 0.362 nan 8.360 nan 0.000 0.470 840 A N 0.899 123.657 122.820 -0.104 0.000 1.902 840 A HA -0.193 4.126 4.320 -0.002 0.000 0.217 840 A C 2.166 179.573 177.584 -0.294 0.000 1.181 840 A CA 1.562 53.530 52.037 -0.115 0.000 0.623 840 A CB -0.464 18.539 19.000 0.006 0.000 0.818 840 A HN 0.170 nan 8.150 nan 0.000 0.443 841 M N -1.594 117.781 119.600 -0.376 0.000 2.123 841 M HA -0.098 4.381 4.480 -0.002 0.000 0.263 841 M C 2.181 178.334 176.300 -0.245 0.000 1.069 841 M CA 1.764 56.752 55.300 -0.519 0.000 1.133 841 M CB -0.223 31.882 32.600 -0.825 0.000 1.356 841 M HN 0.484 nan 8.290 nan 0.000 0.415 842 E N 1.106 121.188 120.200 -0.197 0.000 2.097 842 E HA -0.234 4.115 4.350 -0.002 0.000 0.196 842 E C 1.793 178.314 176.600 -0.130 0.000 1.000 842 E CA 1.427 57.755 56.400 -0.120 0.000 0.804 842 E CB -0.410 29.235 29.700 -0.091 0.000 0.740 842 E HN 0.486 nan 8.360 nan 0.000 0.454 843 L N -0.652 120.473 121.223 -0.163 0.000 1.994 843 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 843 L C 2.427 179.155 176.870 -0.236 0.000 1.071 843 L CA 1.957 56.674 54.840 -0.204 0.000 0.745 843 L CB -0.289 41.636 42.059 -0.223 0.000 0.892 843 L HN 0.278 nan 8.230 nan 0.000 0.431 844 M N -0.159 119.289 119.600 -0.253 0.000 2.279 844 M HA -0.202 4.277 4.480 -0.002 0.000 0.264 844 M C 1.946 178.052 176.300 -0.324 0.000 1.062 844 M CA 1.677 56.773 55.300 -0.341 0.000 1.099 844 M CB -0.230 32.125 32.600 -0.409 0.000 1.394 844 M HN 0.289 nan 8.290 nan 0.000 0.426 845 E N -0.700 119.384 120.200 -0.194 0.000 2.208 845 E HA -0.202 4.146 4.350 -0.002 0.000 0.193 845 E C 1.544 177.884 176.600 -0.433 0.000 0.988 845 E CA 1.283 57.442 56.400 -0.402 0.000 0.828 845 E CB 0.066 29.661 29.700 -0.175 0.000 0.763 845 E HN 0.700 nan 8.360 nan 0.000 0.478 846 Q N -0.460 119.204 119.800 -0.228 0.000 2.281 846 Q HA 0.130 4.469 4.340 -0.002 0.000 0.215 846 Q C 1.632 177.548 176.000 -0.140 0.000 0.867 846 Q CA 0.087 55.805 55.803 -0.141 0.000 0.940 846 Q CB 0.123 28.814 28.738 -0.078 0.000 1.111 846 Q HN 0.090 nan 8.270 nan 0.000 0.513 847 L N 0.224 121.328 121.223 -0.199 0.000 2.376 847 L HA 0.144 4.483 4.340 -0.002 0.000 0.219 847 L C 1.737 178.500 176.870 -0.178 0.000 1.133 847 L CA 1.523 56.248 54.840 -0.191 0.000 0.816 847 L CB -0.669 41.243 42.059 -0.246 0.000 0.933 847 L HN 0.465 nan 8.230 nan 0.000 0.449 848 A N -1.807 120.892 122.820 -0.202 0.000 2.115 848 A HA -0.047 4.271 4.320 -0.002 0.000 0.211 848 A C 2.421 180.011 177.584 0.011 0.000 1.169 848 A CA 0.937 52.918 52.037 -0.093 0.000 0.787 848 A CB -0.063 18.915 19.000 -0.037 0.000 0.858 848 A HN 0.276 nan 8.150 nan 0.000 0.474 849 S N -0.257 115.435 115.700 -0.014 0.000 2.453 849 S HA -0.016 4.453 4.470 -0.002 0.000 0.231 849 S C 1.316 175.935 174.600 0.031 0.000 1.005 849 S CA 0.850 59.086 58.200 0.059 0.000 0.949 849 S CB -0.263 62.974 63.200 0.062 0.000 0.774 849 S HN 0.516 nan 8.310 nan 0.000 0.510 850 K N 1.144 121.542 120.400 -0.003 0.000 2.708 850 K HA 0.300 4.619 4.320 -0.002 0.000 0.219 850 K C -0.454 176.144 176.600 -0.003 0.000 1.068 850 K CA -0.096 56.189 56.287 -0.004 0.000 1.212 850 K CB 0.144 32.634 32.500 -0.016 0.000 0.978 850 K HN 0.365 nan 8.250 nan 0.000 0.475 851 L N 0.685 121.914 121.223 0.010 0.000 2.331 851 L HA 0.434 4.773 4.340 -0.002 0.000 0.268 851 L C -1.981 174.900 176.870 0.019 0.000 1.015 851 L CA -2.449 52.398 54.840 0.012 0.000 0.807 851 L CB 0.571 42.642 42.059 0.021 0.000 1.293 851 L HN -0.048 nan 8.230 nan 0.000 0.451 852 P HA 0.009 nan 4.420 nan 0.000 0.270 852 P C -0.692 176.621 177.300 0.021 0.000 1.221 852 P CA -0.252 62.856 63.100 0.014 0.000 0.788 852 P CB 0.132 31.837 31.700 0.008 0.000 0.904 853 T N -2.170 112.394 114.554 0.017 0.000 2.926 853 T HA 0.386 4.735 4.350 -0.002 0.000 0.307 853 T C 1.077 175.787 174.700 0.017 0.000 1.059 853 T CA 0.073 62.184 62.100 0.018 0.000 1.122 853 T CB 0.131 69.007 68.868 0.014 0.000 0.972 853 T HN 0.893 nan 8.240 nan 0.000 0.545 854 G N 0.490 109.300 108.800 0.017 0.000 2.160 854 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.244 854 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.244 854 G C -0.100 174.810 174.900 0.017 0.000 1.022 854 G CA -0.089 45.019 45.100 0.014 0.000 0.741 854 G HN 1.125 nan 8.290 nan 0.000 0.508 855 V N 0.320 120.250 119.914 0.027 0.000 2.409 855 V HA 0.796 4.915 4.120 -0.002 0.000 0.290 855 V C 0.789 176.918 176.094 0.058 0.000 1.017 855 V CA 0.124 62.448 62.300 0.040 0.000 0.841 855 V CB 1.421 33.274 31.823 0.050 0.000 1.003 855 V HN 0.808 nan 8.190 nan 0.000 0.426 856 G N 3.739 112.553 108.800 0.025 0.000 2.735 856 G HA2 0.802 4.761 3.960 -0.002 0.000 0.301 856 G HA3 0.802 4.761 3.960 -0.002 0.000 0.301 856 G C -1.478 173.415 174.900 -0.011 0.000 1.279 856 G CA -0.655 44.436 45.100 -0.016 0.000 1.019 856 G HN 0.785 nan 8.290 nan 0.000 0.497 857 Y N -1.601 118.585 120.300 -0.190 0.000 2.534 857 Y HA 0.790 5.339 4.550 -0.002 0.000 0.345 857 Y C -1.309 174.283 175.900 -0.513 0.000 1.031 857 Y CA -1.425 56.397 58.100 -0.464 0.000 1.022 857 Y CB 2.198 40.446 38.460 -0.352 0.000 1.292 857 Y HN 0.590 nan 8.280 nan 0.000 0.459 858 D N 0.872 120.844 120.400 -0.714 0.000 2.583 858 D HA 0.562 5.201 4.640 -0.002 0.000 0.248 858 D C -2.106 173.700 176.300 -0.823 0.000 1.209 858 D CA -0.369 53.286 54.000 -0.574 0.000 0.848 858 D CB 1.768 42.298 40.800 -0.449 0.000 1.431 858 D HN 0.597 nan 8.370 nan 0.000 0.436 859 W N 0.082 121.243 121.300 -0.232 0.000 2.781 859 W HA 0.510 5.169 4.660 -0.002 0.000 0.345 859 W C 0.385 176.798 176.519 -0.176 0.000 1.085 859 W CA -0.409 56.822 57.345 -0.190 0.000 1.198 859 W CB 2.290 31.709 29.460 -0.068 0.000 1.423 859 W HN 0.307 nan 8.180 nan 0.000 0.532 860 T N -1.345 113.238 114.554 0.049 0.000 3.336 860 T HA 0.110 4.459 4.350 -0.002 0.000 0.273 860 T C 1.482 176.172 174.700 -0.016 0.000 0.932 860 T CA 0.409 62.405 62.100 -0.174 0.000 0.995 860 T CB -0.365 68.284 68.868 -0.365 0.000 1.213 860 T HN 0.574 nan 8.240 nan 0.000 0.502 861 G N 2.354 111.181 108.800 0.046 0.000 2.808 861 G HA2 0.192 4.151 3.960 -0.002 0.000 0.211 861 G HA3 0.192 4.151 3.960 -0.002 0.000 0.211 861 G C 0.496 175.423 174.900 0.045 0.000 1.364 861 G CA 1.145 46.271 45.100 0.044 0.000 0.824 861 G HN 0.588 nan 8.290 nan 0.000 0.630 862 M N -1.711 117.891 119.600 0.003 0.000 5.488 862 M HA -0.217 4.262 4.480 -0.002 0.000 0.157 862 M C 0.260 176.537 176.300 -0.037 0.000 1.251 862 M CA 0.887 56.179 55.300 -0.013 0.000 1.181 862 M CB -1.364 31.274 32.600 0.064 0.000 1.099 862 M HN 1.115 nan 8.290 nan 0.000 0.190 863 S N 3.855 119.403 115.700 -0.252 0.000 3.427 863 S HA -0.243 4.226 4.470 -0.002 0.000 0.373 863 S C 0.200 174.552 174.600 -0.413 0.000 0.973 863 S CA 2.390 60.218 58.200 -0.621 0.000 1.218 863 S CB -2.210 60.742 63.200 -0.414 0.000 0.912 863 S HN 1.638 nan 8.310 nan 0.000 0.483 864 Y N -3.256 117.072 120.300 0.048 0.000 2.819 864 Y HA -0.422 4.127 4.550 -0.002 0.000 0.471 864 Y C 0.534 176.502 175.900 0.114 0.000 1.148 864 Y CA 1.237 59.385 58.100 0.081 0.000 2.713 864 Y CB -1.408 37.106 38.460 0.090 0.000 1.168 864 Y HN 0.402 nan 8.280 nan 0.000 0.618 865 Q N 2.957 122.987 119.800 0.384 0.000 2.267 865 Q HA 0.403 4.742 4.340 -0.002 0.000 0.255 865 Q C -0.516 175.611 176.000 0.212 0.000 0.923 865 Q CA -0.259 55.827 55.803 0.471 0.000 0.925 865 Q CB 1.397 30.345 28.738 0.350 0.000 1.195 865 Q HN 0.290 nan 8.270 nan 0.000 0.417 866 E N 1.958 122.034 120.200 -0.208 0.000 3.179 866 E HA -0.266 4.083 4.350 -0.002 0.000 0.148 866 E C -0.993 175.573 176.600 -0.056 0.000 1.916 866 E CA 1.305 57.471 56.400 -0.390 0.000 0.709 866 E CB -0.490 29.098 29.700 -0.187 0.000 1.081 866 E HN 0.804 nan 8.360 nan 0.000 0.351 867 R N 1.823 122.347 120.500 0.040 0.000 3.352 867 R HA 0.674 5.013 4.340 -0.002 0.000 0.117 867 R C -0.079 176.415 176.300 0.324 0.000 0.626 867 R CA -0.250 56.002 56.100 0.254 0.000 0.413 867 R CB 0.345 30.851 30.300 0.344 0.000 0.924 867 R HN 0.297 nan 8.270 nan 0.000 0.330 868 L N -0.685 120.826 121.223 0.480 0.000 3.233 868 L HA -0.303 4.036 4.340 -0.002 0.000 0.335 868 L C 1.075 178.027 176.870 0.136 0.000 1.091 868 L CA 0.710 55.794 54.840 0.407 0.000 1.236 868 L CB -1.119 41.179 42.059 0.399 0.000 1.164 868 L HN 0.899 nan 8.230 nan 0.000 0.490 869 S N -0.655 115.051 115.700 0.009 0.000 2.406 869 S HA 0.087 4.556 4.470 -0.002 0.000 0.224 869 S C 0.787 175.403 174.600 0.027 0.000 1.030 869 S CA 0.850 59.037 58.200 -0.022 0.000 0.958 869 S CB -0.230 62.947 63.200 -0.039 0.000 0.811 869 S HN 0.864 nan 8.310 nan 0.000 0.489 870 G N 0.747 109.591 108.800 0.072 0.000 2.441 870 G HA2 0.281 4.240 3.960 -0.002 0.000 0.243 870 G HA3 0.281 4.240 3.960 -0.002 0.000 0.243 870 G C 0.189 175.126 174.900 0.062 0.000 1.281 870 G CA -0.220 44.926 45.100 0.077 0.000 0.854 870 G HN 0.575 nan 8.290 nan 0.000 0.560 871 N N -0.292 118.426 118.700 0.029 0.000 2.863 871 N HA -0.252 4.487 4.740 -0.002 0.000 0.245 871 N C 1.244 176.746 175.510 -0.013 0.000 1.001 871 N CA 1.629 54.675 53.050 -0.005 0.000 0.901 871 N CB -0.418 38.042 38.487 -0.045 0.000 1.124 871 N HN 0.727 nan 8.380 nan 0.000 0.582 872 Q N -0.084 119.707 119.800 -0.014 0.000 2.577 872 Q HA 0.398 4.737 4.340 -0.002 0.000 0.242 872 Q C 1.824 177.762 176.000 -0.102 0.000 0.818 872 Q CA 0.954 56.721 55.803 -0.060 0.000 0.962 872 Q CB -0.257 28.434 28.738 -0.079 0.000 1.272 872 Q HN 0.199 nan 8.270 nan 0.000 0.593 873 A N 1.829 124.615 122.820 -0.056 0.000 1.898 873 A HA 0.037 4.356 4.320 -0.002 0.000 0.216 873 A C -0.552 177.104 177.584 0.120 0.000 1.181 873 A CA 1.335 53.393 52.037 0.035 0.000 0.620 873 A CB -1.505 17.595 19.000 0.167 0.000 0.819 873 A HN 0.568 nan 8.150 nan 0.000 0.442 874 P HA 0.011 nan 4.420 nan 0.000 0.229 874 P C 0.889 178.206 177.300 0.029 0.000 1.160 874 P CA 1.237 64.376 63.100 0.064 0.000 0.777 874 P CB 0.145 31.866 31.700 0.035 0.000 0.814 875 S N -1.085 114.614 115.700 -0.002 0.000 2.524 875 S HA 0.151 4.620 4.470 -0.002 0.000 0.215 875 S C 1.529 176.109 174.600 -0.034 0.000 0.986 875 S CA -0.328 57.860 58.200 -0.019 0.000 0.911 875 S CB -0.445 62.738 63.200 -0.028 0.000 0.805 875 S HN 0.078 nan 8.310 nan 0.000 0.501 876 L N 0.032 121.199 121.223 -0.093 0.000 2.051 876 L HA 0.043 4.382 4.340 -0.002 0.000 0.202 876 L C 1.669 178.397 176.870 -0.236 0.000 1.097 876 L CA 1.452 56.140 54.840 -0.254 0.000 0.762 876 L CB -0.261 41.473 42.059 -0.540 0.000 0.913 876 L HN 0.264 nan 8.230 nan 0.000 0.447 877 Y N -0.357 119.916 120.300 -0.045 0.000 2.439 877 Y HA -0.026 4.523 4.550 -0.002 0.000 0.292 877 Y C 2.447 178.316 175.900 -0.052 0.000 1.130 877 Y CA 0.680 58.748 58.100 -0.053 0.000 1.254 877 Y CB -0.673 37.748 38.460 -0.066 0.000 1.000 877 Y HN 0.298 nan 8.280 nan 0.000 0.554 878 A N 0.318 123.191 122.820 0.089 0.000 1.873 878 A HA -0.120 4.199 4.320 -0.002 0.000 0.215 878 A C 1.849 179.434 177.584 0.002 0.000 1.186 878 A CA 1.689 53.742 52.037 0.026 0.000 0.616 878 A CB -0.815 18.188 19.000 0.005 0.000 0.823 878 A HN 0.402 nan 8.150 nan 0.000 0.442 879 I N -0.018 120.555 120.570 0.006 0.000 3.578 879 I HA 0.004 4.172 4.170 -0.002 0.000 0.295 879 I C 1.112 177.247 176.117 0.030 0.000 1.280 879 I CA 0.644 61.953 61.300 0.014 0.000 1.347 879 I CB 0.351 38.364 38.000 0.022 0.000 1.051 879 I HN 0.048 nan 8.210 nan 0.000 0.460 880 S N 0.128 115.834 115.700 0.011 0.000 2.583 880 S HA 0.279 4.748 4.470 -0.002 0.000 0.239 880 S C 1.172 175.773 174.600 0.003 0.000 0.966 880 S CA 0.033 58.228 58.200 -0.008 0.000 0.973 880 S CB 0.206 63.373 63.200 -0.056 0.000 0.794 880 S HN 0.272 nan 8.310 nan 0.000 0.463 881 L N 0.119 121.346 121.223 0.007 0.000 2.885 881 L HA 0.410 4.749 4.340 -0.002 0.000 0.251 881 L C 0.957 177.829 176.870 0.004 0.000 1.071 881 L CA 0.605 55.442 54.840 -0.005 0.000 0.956 881 L CB 0.263 42.308 42.059 -0.024 0.000 1.483 881 L HN 0.182 nan 8.230 nan 0.000 0.525 882 I N -0.870 119.701 120.570 0.000 0.000 3.564 882 I HA 0.062 4.231 4.170 -0.002 0.000 0.294 882 I C 1.963 178.123 176.117 0.071 0.000 1.289 882 I CA 0.795 62.106 61.300 0.019 0.000 1.325 882 I CB -0.300 37.689 38.000 -0.018 0.000 1.039 882 I HN 0.122 nan 8.210 nan 0.000 0.474 883 V N -0.554 119.392 119.914 0.053 0.000 3.572 883 V HA 0.080 4.199 4.120 -0.002 0.000 0.260 883 V C 2.011 178.120 176.094 0.024 0.000 1.324 883 V CA 0.545 62.873 62.300 0.046 0.000 1.068 883 V CB 0.966 32.811 31.823 0.038 0.000 0.837 883 V HN 0.073 nan 8.190 nan 0.000 0.450 884 V N 0.164 120.086 119.914 0.014 0.000 2.255 884 V HA -0.166 3.953 4.120 -0.002 0.000 0.243 884 V C 2.153 178.240 176.094 -0.013 0.000 1.038 884 V CA 2.700 64.985 62.300 -0.025 0.000 1.008 884 V CB -0.723 31.072 31.823 -0.047 0.000 0.645 884 V HN 0.670 nan 8.190 nan 0.000 0.449 885 F N -0.190 119.687 119.950 -0.122 0.000 2.154 885 F HA -0.211 4.315 4.527 -0.002 0.000 0.301 885 F C 2.100 177.862 175.800 -0.063 0.000 1.087 885 F CA 1.617 59.534 58.000 -0.138 0.000 1.274 885 F CB -0.081 38.816 39.000 -0.172 0.000 1.009 885 F HN 0.001 nan 8.300 nan 0.000 0.485 886 L N -0.346 120.920 121.223 0.071 0.000 2.023 886 L HA -0.193 4.146 4.340 -0.002 0.000 0.205 886 L C 2.452 179.294 176.870 -0.047 0.000 1.073 886 L CA 1.518 56.372 54.840 0.023 0.000 0.745 886 L CB -1.517 40.611 42.059 0.116 0.000 0.900 886 L HN 0.268 nan 8.230 nan 0.000 0.435 887 C N -0.291 118.990 119.300 -0.031 0.000 2.491 887 C HA -0.033 4.426 4.460 -0.002 0.000 0.277 887 C C 2.240 177.190 174.990 -0.066 0.000 1.455 887 C CA -0.203 58.797 59.018 -0.029 0.000 1.758 887 C CB -1.031 26.700 27.740 -0.015 0.000 1.745 887 C HN 0.327 nan 8.230 nan 0.000 0.558 888 L N 0.548 121.679 121.223 -0.154 0.000 2.715 888 L HA 0.230 4.569 4.340 -0.002 0.000 0.238 888 L C 1.517 178.238 176.870 -0.248 0.000 1.212 888 L CA 0.175 54.854 54.840 -0.268 0.000 1.017 888 L CB -0.127 41.734 42.059 -0.328 0.000 1.269 888 L HN 0.301 nan 8.230 nan 0.000 0.452 889 A N -1.074 121.693 122.820 -0.089 0.000 2.548 889 A HA 0.500 4.819 4.320 -0.002 0.000 0.236 889 A C 0.948 178.578 177.584 0.078 0.000 1.246 889 A CA 0.282 52.311 52.037 -0.014 0.000 0.993 889 A CB 0.235 19.186 19.000 -0.082 0.000 1.209 889 A HN 0.251 nan 8.150 nan 0.000 0.570 890 A N 0.365 123.248 122.820 0.105 0.000 2.438 890 A HA 0.535 4.854 4.320 -0.002 0.000 0.280 890 A C 0.878 178.508 177.584 0.078 0.000 1.160 890 A CA 0.289 52.373 52.037 0.078 0.000 0.821 890 A CB -0.923 18.113 19.000 0.059 0.000 1.101 890 A HN 1.198 nan 8.150 nan 0.000 0.515 891 L N 0.654 121.851 121.223 -0.043 0.000 4.429 891 L HA -0.328 4.011 4.340 -0.002 0.000 0.422 891 L C 0.375 177.012 176.870 -0.387 0.000 1.149 891 L CA 1.095 55.815 54.840 -0.200 0.000 0.972 891 L CB -2.162 39.744 42.059 -0.255 0.000 2.059 891 L HN 0.926 nan 8.230 nan 0.000 0.870 892 Y N -2.126 118.123 120.300 -0.085 0.000 2.585 892 Y HA 0.096 4.645 4.550 -0.002 0.000 0.272 892 Y C 1.629 177.462 175.900 -0.113 0.000 1.119 892 Y CA 0.234 58.279 58.100 -0.092 0.000 1.255 892 Y CB 0.601 39.003 38.460 -0.098 0.000 1.284 892 Y HN 0.206 nan 8.280 nan 0.000 0.499 893 E N -0.753 119.455 120.200 0.013 0.000 2.874 893 E HA -0.225 4.123 4.350 -0.002 0.000 0.357 893 E C 0.419 176.898 176.600 -0.202 0.000 1.413 893 E CA 1.153 57.492 56.400 -0.102 0.000 1.198 893 E CB -1.822 27.806 29.700 -0.119 0.000 1.717 893 E HN 0.196 nan 8.360 nan 0.000 0.543 894 S N 0.453 115.991 115.700 -0.269 0.000 2.622 894 S HA -0.078 4.391 4.470 -0.002 0.000 0.251 894 S C 0.933 175.380 174.600 -0.255 0.000 1.402 894 S CA 0.663 58.584 58.200 -0.465 0.000 0.972 894 S CB -0.181 62.824 63.200 -0.325 0.000 0.913 894 S HN 0.386 nan 8.310 nan 0.000 0.573 895 W N 0.551 121.882 121.300 0.051 0.000 3.468 895 W HA 0.200 4.859 4.660 -0.002 0.000 0.327 895 W C 1.929 178.548 176.519 0.167 0.000 1.259 895 W CA -0.139 57.293 57.345 0.146 0.000 1.706 895 W CB -0.517 29.076 29.460 0.220 0.000 1.007 895 W HN 0.652 nan 8.180 nan 0.000 0.764 896 S N 0.919 116.728 115.700 0.182 0.000 2.346 896 S HA -0.079 4.390 4.470 -0.002 0.000 0.204 896 S C 1.587 176.254 174.600 0.112 0.000 1.008 896 S CA 0.747 58.998 58.200 0.085 0.000 0.925 896 S CB -0.321 62.846 63.200 -0.055 0.000 0.903 896 S HN 0.085 nan 8.310 nan 0.000 0.537 897 I N 2.993 123.587 120.570 0.039 0.000 2.286 897 I HA 0.049 4.218 4.170 -0.002 0.000 0.248 897 I C -1.357 174.702 176.117 -0.098 0.000 1.115 897 I CA 0.691 61.976 61.300 -0.026 0.000 1.392 897 I CB -1.377 36.600 38.000 -0.039 0.000 1.065 897 I HN 0.304 nan 8.210 nan 0.000 0.418 898 P HA -0.166 nan 4.420 nan 0.000 0.229 898 P C 0.778 177.925 177.300 -0.256 0.000 1.147 898 P CA 1.565 64.495 63.100 -0.285 0.000 0.766 898 P CB -0.219 31.143 31.700 -0.563 0.000 0.775 899 F N -3.265 116.699 119.950 0.024 0.000 2.798 899 F HA 0.175 4.701 4.527 -0.002 0.000 0.328 899 F C 1.603 177.393 175.800 -0.018 0.000 1.098 899 F CA 0.169 58.193 58.000 0.040 0.000 1.172 899 F CB 0.074 39.114 39.000 0.066 0.000 1.072 899 F HN -0.281 nan 8.300 nan 0.000 0.555 900 S N -0.587 115.160 115.700 0.079 0.000 2.575 900 S HA 0.152 4.620 4.470 -0.002 0.000 0.215 900 S C 1.305 175.876 174.600 -0.049 0.000 0.966 900 S CA 0.361 58.572 58.200 0.017 0.000 0.911 900 S CB 0.403 63.609 63.200 0.011 0.000 0.780 900 S HN 0.139 nan 8.310 nan 0.000 0.514 901 V N -0.422 119.442 119.914 -0.085 0.000 3.155 901 V HA 0.166 4.285 4.120 -0.002 0.000 0.225 901 V C 1.655 177.687 176.094 -0.104 0.000 1.462 901 V CA 0.346 62.576 62.300 -0.116 0.000 1.270 901 V CB -0.490 31.224 31.823 -0.182 0.000 1.112 901 V HN 0.395 nan 8.190 nan 0.000 0.479 902 M N 0.732 120.261 119.600 -0.119 0.000 2.192 902 M HA -0.136 4.343 4.480 -0.002 0.000 0.259 902 M C 1.361 177.626 176.300 -0.057 0.000 1.071 902 M CA 2.254 57.487 55.300 -0.112 0.000 1.082 902 M CB -0.421 32.063 32.600 -0.193 0.000 1.373 902 M HN 0.348 nan 8.290 nan 0.000 0.408 903 L N -0.571 120.639 121.223 -0.022 0.000 2.769 903 L HA 0.164 4.503 4.340 -0.002 0.000 0.240 903 L C 1.315 178.193 176.870 0.013 0.000 1.163 903 L CA -0.403 54.457 54.840 0.033 0.000 0.962 903 L CB 0.055 42.148 42.059 0.056 0.000 1.258 903 L HN 0.294 nan 8.230 nan 0.000 0.513 904 V N -3.604 116.294 119.914 -0.027 0.000 3.649 904 V HA 0.020 4.139 4.120 -0.002 0.000 0.275 904 V C 1.959 178.042 176.094 -0.017 0.000 1.281 904 V CA 0.582 62.861 62.300 -0.033 0.000 1.143 904 V CB -0.188 31.590 31.823 -0.075 0.000 0.892 904 V HN 0.240 nan 8.190 nan 0.000 0.441 905 V N -2.193 117.714 119.914 -0.013 0.000 2.453 905 V HA 0.104 4.223 4.120 -0.002 0.000 0.247 905 V C 0.300 176.381 176.094 -0.023 0.000 1.048 905 V CA 1.599 63.880 62.300 -0.033 0.000 1.049 905 V CB -2.171 29.618 31.823 -0.056 0.000 0.672 905 V HN 0.548 nan 8.190 nan 0.000 0.457 906 P HA 0.027 nan 4.420 nan 0.000 0.226 906 P C 1.801 179.111 177.300 0.017 0.000 1.153 906 P CA 0.656 63.752 63.100 -0.005 0.000 0.777 906 P CB -0.075 31.619 31.700 -0.010 0.000 0.794 907 L N -0.530 120.719 121.223 0.042 0.000 2.141 907 L HA -0.013 4.326 4.340 -0.002 0.000 0.209 907 L C 2.383 179.256 176.870 0.005 0.000 1.094 907 L CA 1.954 56.811 54.840 0.027 0.000 0.763 907 L CB -1.861 40.205 42.059 0.012 0.000 0.908 907 L HN 0.026 nan 8.230 nan 0.000 0.437 908 G N -1.671 107.123 108.800 -0.010 0.000 2.395 908 G HA2 -0.089 3.869 3.960 -0.002 0.000 0.214 908 G HA3 -0.089 3.869 3.960 -0.002 0.000 0.214 908 G C 1.617 176.524 174.900 0.011 0.000 1.177 908 G CA 0.733 45.826 45.100 -0.012 0.000 0.794 908 G HN 0.222 nan 8.290 nan 0.000 0.532 909 V N 1.171 121.085 119.914 0.000 0.000 2.332 909 V HA -0.182 3.937 4.120 -0.002 0.000 0.248 909 V C 2.611 178.755 176.094 0.084 0.000 1.055 909 V CA 1.610 63.925 62.300 0.025 0.000 1.038 909 V CB -0.468 31.335 31.823 -0.034 0.000 0.651 909 V HN 0.378 nan 8.190 nan 0.000 0.450 910 I N 1.506 122.109 120.570 0.055 0.000 2.151 910 I HA -0.192 3.977 4.170 -0.002 0.000 0.243 910 I C 2.284 178.460 176.117 0.097 0.000 1.080 910 I CA 2.196 63.537 61.300 0.069 0.000 1.339 910 I CB -0.832 37.188 38.000 0.033 0.000 1.039 910 I HN 0.237 nan 8.210 nan 0.000 0.409 911 G N -0.617 108.235 108.800 0.087 0.000 2.421 911 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.217 911 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.217 911 G C 1.699 176.691 174.900 0.154 0.000 1.143 911 G CA 0.604 45.763 45.100 0.098 0.000 0.784 911 G HN 0.613 nan 8.290 nan 0.000 0.541 912 A N 0.582 123.520 122.820 0.196 0.000 1.930 912 A HA 0.159 4.478 4.320 -0.002 0.000 0.217 912 A C 2.369 180.230 177.584 0.461 0.000 1.175 912 A CA 0.993 53.237 52.037 0.346 0.000 0.627 912 A CB -0.313 18.841 19.000 0.257 0.000 0.815 912 A HN 0.345 nan 8.150 nan 0.000 0.443 913 L N -1.251 120.186 121.223 0.358 0.000 2.109 913 L HA -0.107 4.232 4.340 -0.002 0.000 0.207 913 L C 2.438 179.405 176.870 0.162 0.000 1.086 913 L CA 0.477 55.472 54.840 0.258 0.000 0.760 913 L CB -0.446 41.762 42.059 0.249 0.000 0.910 913 L HN 0.290 nan 8.230 nan 0.000 0.437 914 L N -0.012 121.308 121.223 0.162 0.000 2.012 914 L HA -0.206 4.133 4.340 -0.002 0.000 0.210 914 L C 2.740 179.713 176.870 0.171 0.000 1.073 914 L CA 2.041 56.970 54.840 0.149 0.000 0.748 914 L CB -0.803 41.305 42.059 0.081 0.000 0.891 914 L HN 0.194 nan 8.230 nan 0.000 0.431 915 A N -0.992 121.919 122.820 0.153 0.000 1.858 915 A HA -0.144 4.175 4.320 -0.002 0.000 0.216 915 A C 2.455 180.095 177.584 0.094 0.000 1.190 915 A CA 1.797 53.919 52.037 0.142 0.000 0.617 915 A CB -1.071 18.024 19.000 0.159 0.000 0.827 915 A HN 0.417 nan 8.150 nan 0.000 0.443 916 A N -0.972 121.856 122.820 0.013 0.000 1.902 916 A HA -0.082 4.237 4.320 -0.002 0.000 0.217 916 A C 2.305 179.824 177.584 -0.109 0.000 1.181 916 A CA 2.370 54.303 52.037 -0.173 0.000 0.623 916 A CB -1.188 17.464 19.000 -0.580 0.000 0.818 916 A HN 0.460 nan 8.150 nan 0.000 0.443 917 T N -1.412 113.126 114.554 -0.028 0.000 2.851 917 T HA 0.031 4.380 4.350 -0.002 0.000 0.262 917 T C 0.673 175.355 174.700 -0.029 0.000 1.043 917 T CA 0.805 62.888 62.100 -0.028 0.000 1.140 917 T CB -0.274 68.614 68.868 0.033 0.000 0.872 917 T HN 0.301 nan 8.240 nan 0.000 0.446 918 F N 1.803 121.744 119.950 -0.016 0.000 2.954 918 F HA 0.409 4.935 4.527 -0.002 0.000 0.300 918 F C 1.743 177.544 175.800 0.001 0.000 1.206 918 F CA -0.272 57.729 58.000 0.001 0.000 1.345 918 F CB 0.077 39.089 39.000 0.018 0.000 1.206 918 F HN -0.121 nan 8.300 nan 0.000 0.537 919 R N -1.118 119.415 120.500 0.055 0.000 2.771 919 R HA 0.195 4.534 4.340 -0.002 0.000 0.177 919 R C 1.307 177.601 176.300 -0.010 0.000 0.937 919 R CA 1.057 57.181 56.100 0.041 0.000 1.536 919 R CB 0.607 30.939 30.300 0.054 0.000 1.696 919 R HN 0.317 nan 8.270 nan 0.000 0.550 920 G N 1.297 110.069 108.800 -0.046 0.000 2.211 920 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.201 920 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.201 920 G C -0.179 174.684 174.900 -0.060 0.000 0.997 920 G CA 0.098 45.164 45.100 -0.057 0.000 0.652 920 G HN 0.044 nan 8.290 nan 0.000 0.500 921 L N 0.841 122.023 121.223 -0.068 0.000 2.475 921 L HA 0.801 5.140 4.340 -0.002 0.000 0.250 921 L C 1.025 177.793 176.870 -0.170 0.000 1.224 921 L CA 1.121 55.907 54.840 -0.090 0.000 0.821 921 L CB 1.247 43.258 42.059 -0.080 0.000 1.141 921 L HN 0.308 nan 8.230 nan 0.000 0.494 922 T N -0.679 113.762 114.554 -0.188 0.000 2.843 922 T HA 0.207 4.556 4.350 -0.002 0.000 0.302 922 T C -0.490 174.069 174.700 -0.235 0.000 1.232 922 T CA -0.804 61.162 62.100 -0.223 0.000 1.009 922 T CB 0.838 69.638 68.868 -0.113 0.000 1.254 922 T HN 0.631 nan 8.240 nan 0.000 0.504 923 N N 2.763 121.334 118.700 -0.215 0.000 2.670 923 N HA 0.057 4.796 4.740 -0.002 0.000 0.296 923 N C -0.384 175.190 175.510 0.106 0.000 1.216 923 N CA -0.109 52.946 53.050 0.008 0.000 1.123 923 N CB -0.087 38.380 38.487 -0.034 0.000 1.459 923 N HN 0.612 nan 8.380 nan 0.000 0.509 924 D N -0.494 120.008 120.400 0.172 0.000 2.539 924 D HA 0.074 4.713 4.640 -0.002 0.000 0.276 924 D C 1.518 177.898 176.300 0.134 0.000 1.206 924 D CA -0.777 53.296 54.000 0.123 0.000 1.081 924 D CB 0.399 41.287 40.800 0.147 0.000 1.142 924 D HN -0.077 nan 8.370 nan 0.000 0.595 925 V N -1.025 118.859 119.914 -0.050 0.000 2.343 925 V HA -0.277 3.842 4.120 -0.002 0.000 0.247 925 V C 1.969 178.015 176.094 -0.081 0.000 1.051 925 V CA 1.565 63.748 62.300 -0.197 0.000 1.036 925 V CB -1.100 30.383 31.823 -0.566 0.000 0.654 925 V HN 0.521 nan 8.190 nan 0.000 0.451 926 Y N -1.449 118.942 120.300 0.151 0.000 2.293 926 Y HA -0.198 4.350 4.550 -0.002 0.000 0.291 926 Y C 2.254 178.292 175.900 0.230 0.000 1.137 926 Y CA 1.803 60.020 58.100 0.196 0.000 1.202 926 Y CB -0.367 38.235 38.460 0.237 0.000 0.990 926 Y HN 0.272 nan 8.280 nan 0.000 0.537 927 F N 0.859 120.957 119.950 0.246 0.000 2.293 927 F HA -0.127 4.399 4.527 -0.002 0.000 0.297 927 F C 2.228 178.146 175.800 0.196 0.000 1.089 927 F CA 1.102 59.217 58.000 0.191 0.000 1.377 927 F CB -0.342 38.742 39.000 0.141 0.000 1.051 927 F HN -0.045 nan 8.300 nan 0.000 0.511 928 Q N 0.086 119.996 119.800 0.184 0.000 1.993 928 Q HA -0.147 4.192 4.340 -0.002 0.000 0.202 928 Q C 2.206 178.288 176.000 0.137 0.000 0.984 928 Q CA 2.665 58.569 55.803 0.168 0.000 0.837 928 Q CB -0.513 28.431 28.738 0.342 0.000 0.902 928 Q HN 0.310 nan 8.270 nan 0.000 0.423 929 V N -0.234 119.779 119.914 0.164 0.000 2.515 929 V HA -0.166 3.953 4.120 -0.002 0.000 0.250 929 V C 2.106 178.279 176.094 0.133 0.000 1.058 929 V CA 1.747 64.144 62.300 0.162 0.000 1.064 929 V CB -1.214 30.685 31.823 0.128 0.000 0.675 929 V HN 0.579 nan 8.190 nan 0.000 0.461 930 G N -0.371 108.485 108.800 0.094 0.000 2.432 930 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.219 930 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.219 930 G C 1.512 176.400 174.900 -0.020 0.000 1.135 930 G CA 0.519 45.657 45.100 0.063 0.000 0.767 930 G HN 0.422 nan 8.290 nan 0.000 0.550 931 L N -0.220 120.903 121.223 -0.167 0.000 2.478 931 L HA 0.265 4.604 4.340 -0.002 0.000 0.223 931 L C 2.321 179.202 176.870 0.018 0.000 1.140 931 L CA 0.832 55.558 54.840 -0.189 0.000 0.842 931 L CB -0.133 41.685 42.059 -0.402 0.000 0.953 931 L HN 0.185 nan 8.230 nan 0.000 0.452 932 L N -0.792 120.505 121.223 0.124 0.000 2.221 932 L HA -0.076 4.263 4.340 -0.002 0.000 0.202 932 L C 2.645 179.675 176.870 0.268 0.000 1.074 932 L CA 1.436 56.400 54.840 0.207 0.000 0.795 932 L CB -0.349 41.888 42.059 0.297 0.000 0.960 932 L HN 0.284 nan 8.230 nan 0.000 0.458 933 T N -3.295 111.472 114.554 0.354 0.000 2.708 933 T HA -0.135 4.214 4.350 -0.002 0.000 0.266 933 T C 1.056 175.863 174.700 0.177 0.000 1.037 933 T CA 1.157 63.490 62.100 0.388 0.000 1.146 933 T CB -1.380 67.645 68.868 0.263 0.000 0.865 933 T HN 0.382 nan 8.240 nan 0.000 0.435 934 T N -0.153 114.456 114.554 0.093 0.000 2.738 934 T HA 0.573 4.922 4.350 -0.002 0.000 0.293 934 T C 0.388 175.075 174.700 -0.022 0.000 0.913 934 T CA -0.415 61.681 62.100 -0.006 0.000 1.103 934 T CB 0.756 69.622 68.868 -0.003 0.000 0.880 934 T HN 0.350 nan 8.240 nan 0.000 0.526 935 I N 1.834 122.368 120.570 -0.061 0.000 5.015 935 I HA 0.022 4.191 4.170 -0.002 0.000 0.290 935 I C 1.758 177.809 176.117 -0.110 0.000 0.561 935 I CA 1.100 62.353 61.300 -0.078 0.000 1.593 935 I CB -1.034 36.928 38.000 -0.062 0.000 3.280 935 I HN 0.695 nan 8.210 nan 0.000 1.040 936 G N 0.899 109.622 108.800 -0.129 0.000 2.545 936 G HA2 0.042 4.001 3.960 -0.002 0.000 0.212 936 G HA3 0.042 4.001 3.960 -0.002 0.000 0.212 936 G C 1.271 176.117 174.900 -0.091 0.000 1.144 936 G CA 0.651 45.665 45.100 -0.144 0.000 0.813 936 G HN 0.319 nan 8.290 nan 0.000 0.531 937 L N 1.203 122.379 121.223 -0.079 0.000 2.156 937 L HA 0.073 4.412 4.340 -0.002 0.000 0.208 937 L C 2.066 178.838 176.870 -0.164 0.000 1.095 937 L CA 1.886 56.645 54.840 -0.135 0.000 0.770 937 L CB -0.817 41.105 42.059 -0.228 0.000 0.914 937 L HN 0.154 nan 8.230 nan 0.000 0.439 938 S N 0.606 116.222 115.700 -0.139 0.000 2.436 938 S HA 0.063 4.532 4.470 -0.002 0.000 0.228 938 S C 2.148 176.685 174.600 -0.105 0.000 1.014 938 S CA 0.862 58.989 58.200 -0.123 0.000 0.950 938 S CB -0.096 63.043 63.200 -0.102 0.000 0.784 938 S HN 0.657 nan 8.310 nan 0.000 0.504 939 A N 2.723 125.481 122.820 -0.103 0.000 1.872 939 A HA -0.118 4.201 4.320 -0.002 0.000 0.214 939 A C 1.900 179.433 177.584 -0.084 0.000 1.187 939 A CA 1.685 53.661 52.037 -0.102 0.000 0.614 939 A CB -0.582 18.348 19.000 -0.117 0.000 0.826 939 A HN 0.553 nan 8.150 nan 0.000 0.442 940 K N 0.289 120.646 120.400 -0.073 0.000 2.589 940 K HA -0.061 4.258 4.320 -0.002 0.000 0.195 940 K C 0.864 177.447 176.600 -0.027 0.000 1.040 940 K CA 1.677 57.937 56.287 -0.045 0.000 0.950 940 K CB -0.268 32.209 32.500 -0.037 0.000 0.781 940 K HN 0.416 nan 8.250 nan 0.000 0.486 941 N N 0.515 119.190 118.700 -0.042 0.000 2.508 941 N HA 0.113 4.852 4.740 -0.002 0.000 0.186 941 N C 1.633 177.144 175.510 0.001 0.000 1.034 941 N CA 1.197 54.237 53.050 -0.016 0.000 0.885 941 N CB -0.329 38.127 38.487 -0.051 0.000 1.135 941 N HN 0.296 nan 8.380 nan 0.000 0.435 942 A N 1.574 124.370 122.820 -0.040 0.000 1.854 942 A HA 0.074 4.393 4.320 -0.002 0.000 0.214 942 A C 2.104 179.674 177.584 -0.024 0.000 1.192 942 A CA 0.656 52.666 52.037 -0.045 0.000 0.611 942 A CB -0.829 18.121 19.000 -0.083 0.000 0.832 942 A HN 0.226 nan 8.150 nan 0.000 0.442 943 I N -0.223 120.308 120.570 -0.065 0.000 2.800 943 I HA -0.152 4.017 4.170 -0.002 0.000 0.266 943 I C 1.921 178.053 176.117 0.025 0.000 1.249 943 I CA 0.672 61.916 61.300 -0.093 0.000 1.458 943 I CB 0.122 38.019 38.000 -0.172 0.000 1.093 943 I HN 0.362 nan 8.210 nan 0.000 0.466 944 L N 0.575 121.822 121.223 0.039 0.000 2.316 944 L HA 0.007 4.346 4.340 -0.002 0.000 0.207 944 L C 2.261 179.228 176.870 0.162 0.000 1.070 944 L CA 1.269 56.135 54.840 0.043 0.000 0.820 944 L CB -0.271 41.829 42.059 0.069 0.000 0.992 944 L HN 0.280 nan 8.230 nan 0.000 0.466 945 I N -2.320 118.392 120.570 0.236 0.000 2.500 945 I HA -0.059 4.110 4.170 -0.002 0.000 0.252 945 I C 2.118 178.406 176.117 0.286 0.000 1.142 945 I CA 1.033 62.540 61.300 0.345 0.000 1.451 945 I CB -1.024 37.151 38.000 0.291 0.000 1.093 945 I HN -0.114 nan 8.210 nan 0.000 0.430 946 V N 1.125 121.152 119.914 0.188 0.000 2.548 946 V HA -0.181 3.938 4.120 -0.002 0.000 0.249 946 V C 2.701 178.918 176.094 0.206 0.000 1.055 946 V CA 1.959 64.364 62.300 0.176 0.000 1.065 946 V CB -0.818 31.067 31.823 0.105 0.000 0.681 946 V HN 0.491 nan 8.190 nan 0.000 0.462 947 E N 0.728 121.044 120.200 0.194 0.000 2.038 947 E HA -0.226 4.123 4.350 -0.002 0.000 0.195 947 E C 1.912 178.496 176.600 -0.028 0.000 1.000 947 E CA 1.907 58.343 56.400 0.060 0.000 0.803 947 E CB -0.476 29.174 29.700 -0.084 0.000 0.750 947 E HN 0.579 nan 8.360 nan 0.000 0.448 948 F N 0.027 120.028 119.950 0.085 0.000 2.216 948 F HA -0.148 4.378 4.527 -0.002 0.000 0.300 948 F C 2.273 178.112 175.800 0.065 0.000 1.085 948 F CA 0.711 58.749 58.000 0.064 0.000 1.326 948 F CB -0.214 38.828 39.000 0.071 0.000 1.027 948 F HN 0.170 nan 8.300 nan 0.000 0.497 949 A N 0.919 123.900 122.820 0.267 0.000 1.872 949 A HA -0.204 4.115 4.320 -0.002 0.000 0.214 949 A C 2.043 179.712 177.584 0.143 0.000 1.187 949 A CA 1.793 53.945 52.037 0.192 0.000 0.614 949 A CB -0.555 18.561 19.000 0.193 0.000 0.826 949 A HN 0.401 nan 8.150 nan 0.000 0.442 950 K N -0.282 120.191 120.400 0.121 0.000 2.288 950 K HA -0.040 4.279 4.320 -0.002 0.000 0.201 950 K C 0.811 177.433 176.600 0.036 0.000 1.048 950 K CA 1.636 57.969 56.287 0.076 0.000 0.956 950 K CB -0.176 32.363 32.500 0.064 0.000 0.746 950 K HN 0.251 nan 8.250 nan 0.000 0.461 951 D N 0.536 120.958 120.400 0.036 0.000 2.194 951 D HA -0.064 4.575 4.640 -0.002 0.000 0.204 951 D C 1.613 177.952 176.300 0.064 0.000 0.964 951 D CA 0.560 54.576 54.000 0.026 0.000 0.846 951 D CB 0.049 40.862 40.800 0.022 0.000 0.962 951 D HN 0.115 nan 8.370 nan 0.000 0.490 952 L N 0.170 121.452 121.223 0.098 0.000 2.156 952 L HA 0.075 4.414 4.340 -0.002 0.000 0.208 952 L C 1.211 178.116 176.870 0.058 0.000 1.095 952 L CA 0.852 55.741 54.840 0.083 0.000 0.770 952 L CB -0.346 41.769 42.059 0.093 0.000 0.914 952 L HN 0.037 nan 8.230 nan 0.000 0.439 953 M N -1.528 118.111 119.600 0.065 0.000 2.248 953 M HA 0.081 4.560 4.480 -0.002 0.000 0.215 953 M C 1.366 177.689 176.300 0.038 0.000 1.103 953 M CA 0.214 55.547 55.300 0.056 0.000 1.154 953 M CB 0.355 33.008 32.600 0.089 0.000 1.218 953 M HN -0.006 nan 8.290 nan 0.000 0.623 954 D N 0.188 120.608 120.400 0.034 0.000 4.597 954 D HA -0.289 4.350 4.640 -0.002 0.000 0.241 954 D C 1.029 177.331 176.300 0.003 0.000 0.587 954 D CA 2.764 56.773 54.000 0.015 0.000 1.574 954 D CB -0.529 40.273 40.800 0.004 0.000 0.966 954 D HN 0.627 nan 8.370 nan 0.000 0.383 955 K N 0.605 121.004 120.400 -0.003 0.000 2.365 955 K HA 0.112 4.431 4.320 -0.002 0.000 0.197 955 K C 1.033 177.634 176.600 0.003 0.000 1.042 955 K CA 0.565 56.848 56.287 -0.007 0.000 0.987 955 K CB 0.260 32.749 32.500 -0.018 0.000 0.779 955 K HN 0.397 nan 8.250 nan 0.000 0.484 956 E N -0.708 119.499 120.200 0.013 0.000 2.396 956 E HA 0.293 4.642 4.350 -0.002 0.000 0.251 956 E C -0.523 176.085 176.600 0.013 0.000 0.949 956 E CA -0.753 55.657 56.400 0.016 0.000 0.834 956 E CB 1.390 31.107 29.700 0.029 0.000 1.309 956 E HN 0.109 nan 8.360 nan 0.000 0.405 957 G N 2.089 110.896 108.800 0.011 0.000 3.101 957 G HA2 0.162 4.121 3.960 -0.002 0.000 0.272 957 G HA3 0.162 4.121 3.960 -0.002 0.000 0.272 957 G C -0.404 174.498 174.900 0.002 0.000 0.801 957 G CA 0.323 45.425 45.100 0.004 0.000 1.978 957 G HN 0.482 nan 8.290 nan 0.000 0.591 958 K N -0.906 119.497 120.400 0.005 0.000 1.226 958 K HA -0.049 4.270 4.320 -0.002 0.000 0.750 958 K C 0.343 176.943 176.600 -0.001 0.000 1.872 958 K CA 1.098 57.384 56.287 -0.002 0.000 1.268 958 K CB -0.746 31.743 32.500 -0.018 0.000 2.312 958 K HN 1.863 nan 8.250 nan 0.000 0.456 959 G N -0.184 108.605 108.800 -0.018 0.000 2.951 959 G HA2 0.162 4.121 3.960 -0.002 0.000 0.508 959 G HA3 0.162 4.121 3.960 -0.002 0.000 0.508 959 G C -0.201 174.685 174.900 -0.023 0.000 1.203 959 G CA -0.233 44.854 45.100 -0.023 0.000 1.209 959 G HN 0.270 nan 8.290 nan 0.000 0.552 960 L N 1.935 123.113 121.223 -0.075 0.000 2.034 960 L HA 0.336 4.675 4.340 -0.002 0.000 0.203 960 L C 2.721 179.569 176.870 -0.036 0.000 1.074 960 L CA 1.678 56.455 54.840 -0.105 0.000 0.748 960 L CB -0.339 41.582 42.059 -0.230 0.000 0.905 960 L HN 0.664 nan 8.230 nan 0.000 0.439 961 I N -1.824 118.710 120.570 -0.060 0.000 3.172 961 I HA -0.000 4.169 4.170 -0.002 0.000 0.278 961 I C 1.393 177.469 176.117 -0.069 0.000 1.174 961 I CA 0.352 61.614 61.300 -0.063 0.000 1.445 961 I CB 0.128 38.082 38.000 -0.077 0.000 1.175 961 I HN 0.142 nan 8.210 nan 0.000 0.447 962 E N 1.169 121.333 120.200 -0.060 0.000 2.445 962 E HA 0.179 4.528 4.350 -0.002 0.000 0.189 962 E C 1.430 178.004 176.600 -0.044 0.000 1.069 962 E CA 0.246 56.612 56.400 -0.058 0.000 0.871 962 E CB 0.376 30.046 29.700 -0.051 0.000 0.991 962 E HN 0.450 nan 8.360 nan 0.000 0.481 963 A N -0.309 122.493 122.820 -0.029 0.000 2.138 963 A HA 0.059 4.378 4.320 -0.002 0.000 0.203 963 A C 2.045 179.628 177.584 -0.002 0.000 1.286 963 A CA 0.147 52.180 52.037 -0.007 0.000 0.929 963 A CB 0.048 19.059 19.000 0.018 0.000 0.975 963 A HN 0.095 nan 8.150 nan 0.000 0.480 964 T N 1.011 115.558 114.554 -0.012 0.000 2.788 964 T HA -0.125 4.224 4.350 -0.002 0.000 0.268 964 T C 1.754 176.376 174.700 -0.130 0.000 1.044 964 T CA 1.648 63.733 62.100 -0.025 0.000 1.139 964 T CB -0.314 68.538 68.868 -0.027 0.000 0.867 964 T HN 0.208 nan 8.240 nan 0.000 0.454 965 L N 1.310 122.437 121.223 -0.160 0.000 1.955 965 L HA -0.091 4.248 4.340 -0.002 0.000 0.213 965 L C 2.267 179.055 176.870 -0.136 0.000 1.072 965 L CA 1.797 56.517 54.840 -0.200 0.000 0.755 965 L CB -0.695 41.267 42.059 -0.162 0.000 0.888 965 L HN 0.098 nan 8.230 nan 0.000 0.432 966 D N -0.939 119.413 120.400 -0.081 0.000 2.265 966 D HA -0.137 4.502 4.640 -0.002 0.000 0.208 966 D C 2.083 178.348 176.300 -0.058 0.000 0.977 966 D CA 1.104 55.070 54.000 -0.056 0.000 0.871 966 D CB -0.070 40.710 40.800 -0.034 0.000 0.925 966 D HN 0.386 nan 8.370 nan 0.000 0.485 967 A N 0.041 122.839 122.820 -0.036 0.000 1.840 967 A HA -0.088 4.231 4.320 -0.002 0.000 0.214 967 A C 1.989 179.554 177.584 -0.033 0.000 1.198 967 A CA 0.850 52.881 52.037 -0.010 0.000 0.608 967 A CB -0.702 18.360 19.000 0.103 0.000 0.839 967 A HN 0.188 nan 8.150 nan 0.000 0.443 968 V N 0.220 120.110 119.914 -0.040 0.000 3.544 968 V HA 0.102 4.221 4.120 -0.002 0.000 0.304 968 V C 1.651 177.714 176.094 -0.053 0.000 1.256 968 V CA 0.803 63.087 62.300 -0.028 0.000 1.232 968 V CB -1.029 30.649 31.823 -0.241 0.000 1.065 968 V HN 0.530 nan 8.190 nan 0.000 0.423 969 R N 0.778 121.248 120.500 -0.051 0.000 2.373 969 R HA 0.238 4.577 4.340 -0.002 0.000 0.221 969 R C 0.444 176.742 176.300 -0.003 0.000 0.893 969 R CA 0.427 56.516 56.100 -0.018 0.000 1.049 969 R CB 0.514 30.789 30.300 -0.041 0.000 1.119 969 R HN 0.658 nan 8.270 nan 0.000 0.535 970 M N -0.105 119.461 119.600 -0.057 0.000 3.269 970 M HA 0.391 4.870 4.480 -0.002 0.000 0.340 970 M C -0.104 176.091 176.300 -0.174 0.000 1.662 970 M CA -0.372 54.873 55.300 -0.091 0.000 0.547 970 M CB 1.419 33.963 32.600 -0.092 0.000 1.449 970 M HN -0.138 nan 8.290 nan 0.000 0.459 971 R N 1.392 121.837 120.500 -0.092 0.000 2.346 971 R HA 0.030 4.369 4.340 -0.002 0.000 0.145 971 R C 0.122 176.435 176.300 0.023 0.000 0.557 971 R CA 0.324 56.376 56.100 -0.081 0.000 0.789 971 R CB -0.878 29.294 30.300 -0.214 0.000 1.270 971 R HN 0.596 nan 8.270 nan 0.000 0.505 972 L N -0.335 120.924 121.223 0.059 0.000 2.376 972 L HA 0.266 4.605 4.340 -0.002 0.000 0.219 972 L C 2.022 178.913 176.870 0.034 0.000 1.133 972 L CA 1.130 56.009 54.840 0.065 0.000 0.816 972 L CB -1.318 40.790 42.059 0.081 0.000 0.933 972 L HN 0.118 nan 8.230 nan 0.000 0.449 973 R N 1.041 121.571 120.500 0.049 0.000 2.070 973 R HA -0.083 4.256 4.340 -0.002 0.000 0.232 973 R C -0.070 176.220 176.300 -0.016 0.000 1.138 973 R CA 1.917 58.081 56.100 0.107 0.000 0.936 973 R CB -1.371 28.997 30.300 0.114 0.000 0.839 973 R HN 0.340 nan 8.270 nan 0.000 0.429 974 P HA -0.165 nan 4.420 nan 0.000 0.212 974 P C 1.264 178.522 177.300 -0.070 0.000 1.178 974 P CA 1.281 64.356 63.100 -0.041 0.000 0.915 974 P CB -0.272 31.442 31.700 0.024 0.000 0.788 975 I N -1.574 118.980 120.570 -0.027 0.000 3.010 975 I HA -0.124 4.045 4.170 -0.002 0.000 0.271 975 I C 1.983 178.050 176.117 -0.082 0.000 1.293 975 I CA 1.120 62.398 61.300 -0.037 0.000 1.452 975 I CB -1.297 36.709 38.000 0.011 0.000 1.082 975 I HN 0.063 nan 8.210 nan 0.000 0.484 976 L N 0.503 121.657 121.223 -0.116 0.000 2.433 976 L HA 0.068 4.407 4.340 -0.002 0.000 0.200 976 L C 2.368 179.054 176.870 -0.308 0.000 1.059 976 L CA 1.007 55.758 54.840 -0.147 0.000 0.835 976 L CB -0.297 41.741 42.059 -0.035 0.000 1.076 976 L HN 0.239 nan 8.230 nan 0.000 0.481 977 M N -1.532 117.723 119.600 -0.574 0.000 2.288 977 M HA 0.056 4.535 4.480 -0.002 0.000 0.266 977 M C 1.934 178.034 176.300 -0.332 0.000 1.072 977 M CA 1.670 56.510 55.300 -0.767 0.000 1.132 977 M CB -0.648 31.245 32.600 -1.178 0.000 1.386 977 M HN 0.043 nan 8.290 nan 0.000 0.432 978 A N 0.324 123.019 122.820 -0.208 0.000 1.968 978 A HA -0.056 4.263 4.320 -0.002 0.000 0.217 978 A C 2.306 179.867 177.584 -0.038 0.000 1.169 978 A CA 1.768 53.752 52.037 -0.088 0.000 0.638 978 A CB -0.723 18.241 19.000 -0.061 0.000 0.812 978 A HN 0.623 nan 8.150 nan 0.000 0.446 979 S N -1.224 114.426 115.700 -0.083 0.000 2.436 979 S HA -0.006 4.463 4.470 -0.002 0.000 0.228 979 S C 1.756 176.364 174.600 0.014 0.000 1.014 979 S CA 1.041 59.210 58.200 -0.053 0.000 0.950 979 S CB -0.296 62.849 63.200 -0.093 0.000 0.784 979 S HN 0.396 nan 8.310 nan 0.000 0.504 980 L N 1.456 122.650 121.223 -0.049 0.000 2.162 980 L HA 0.394 4.732 4.340 -0.002 0.000 0.205 980 L C 2.445 179.319 176.870 0.007 0.000 1.086 980 L CA 1.544 56.369 54.840 -0.026 0.000 0.778 980 L CB -0.839 41.171 42.059 -0.081 0.000 0.928 980 L HN 0.301 nan 8.230 nan 0.000 0.446 981 A N -1.435 121.379 122.820 -0.010 0.000 2.067 981 A HA -0.206 4.113 4.320 -0.002 0.000 0.219 981 A C 2.163 179.774 177.584 0.044 0.000 1.158 981 A CA 1.393 53.434 52.037 0.007 0.000 0.661 981 A CB -0.919 18.074 19.000 -0.012 0.000 0.801 981 A HN 0.484 nan 8.150 nan 0.000 0.452 982 F N 0.380 120.299 119.950 -0.052 0.000 2.128 982 F HA -0.080 4.446 4.527 -0.002 0.000 0.295 982 F C 2.031 177.814 175.800 -0.029 0.000 1.100 982 F CA 1.194 59.170 58.000 -0.039 0.000 1.260 982 F CB 0.033 39.010 39.000 -0.038 0.000 1.009 982 F HN 0.104 nan 8.300 nan 0.000 0.476 983 I N 0.393 121.078 120.570 0.192 0.000 2.127 983 I HA -0.310 3.859 4.170 -0.002 0.000 0.241 983 I C 2.354 178.479 176.117 0.013 0.000 1.075 983 I CA 1.701 63.065 61.300 0.106 0.000 1.334 983 I CB -1.374 36.677 38.000 0.086 0.000 1.040 983 I HN 0.220 nan 8.210 nan 0.000 0.405 984 L N 0.116 121.338 121.223 -0.001 0.000 2.217 984 L HA -0.032 4.307 4.340 -0.002 0.000 0.211 984 L C 2.531 179.364 176.870 -0.062 0.000 1.107 984 L CA 0.994 55.821 54.840 -0.022 0.000 0.783 984 L CB -0.826 41.228 42.059 -0.008 0.000 0.919 984 L HN 0.260 nan 8.230 nan 0.000 0.442 985 G N -0.791 107.944 108.800 -0.108 0.000 2.484 985 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.218 985 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.218 985 G C 1.394 176.168 174.900 -0.211 0.000 1.130 985 G CA 0.521 45.521 45.100 -0.167 0.000 0.784 985 G HN 0.228 nan 8.290 nan 0.000 0.543 986 V N 0.407 120.191 119.914 -0.217 0.000 3.590 986 V HA 0.152 4.271 4.120 -0.002 0.000 0.265 986 V C 2.363 178.407 176.094 -0.083 0.000 1.239 986 V CA 0.628 62.818 62.300 -0.182 0.000 1.117 986 V CB 0.209 31.914 31.823 -0.197 0.000 0.818 986 V HN 0.400 nan 8.190 nan 0.000 0.451 987 M N 0.968 120.532 119.600 -0.060 0.000 2.149 987 M HA -0.107 4.372 4.480 -0.002 0.000 0.261 987 M C -0.587 175.696 176.300 -0.028 0.000 1.064 987 M CA 2.226 57.509 55.300 -0.028 0.000 1.102 987 M CB -0.703 31.886 32.600 -0.018 0.000 1.369 987 M HN 0.254 nan 8.290 nan 0.000 0.408 988 P HA -0.058 nan 4.420 nan 0.000 0.226 988 P C 1.077 178.357 177.300 -0.034 0.000 1.153 988 P CA 1.041 64.116 63.100 -0.042 0.000 0.777 988 P CB -0.030 31.636 31.700 -0.058 0.000 0.794 989 L N -1.064 120.139 121.223 -0.033 0.000 2.168 989 L HA -0.063 4.276 4.340 -0.002 0.000 0.203 989 L C 2.485 179.361 176.870 0.010 0.000 1.078 989 L CA 0.775 55.610 54.840 -0.009 0.000 0.780 989 L CB -1.164 40.881 42.059 -0.023 0.000 0.939 989 L HN -0.105 nan 8.230 nan 0.000 0.451 990 V N -0.912 119.010 119.914 0.012 0.000 2.287 990 V HA -0.171 3.948 4.120 -0.002 0.000 0.248 990 V C 1.551 177.660 176.094 0.026 0.000 1.053 990 V CA 1.849 64.167 62.300 0.030 0.000 1.027 990 V CB -0.594 31.250 31.823 0.036 0.000 0.646 990 V HN 0.455 nan 8.190 nan 0.000 0.447 991 I N -3.899 116.680 120.570 0.016 0.000 3.420 991 I HA 0.583 4.752 4.170 -0.002 0.000 0.154 991 I C 1.758 177.876 176.117 0.002 0.000 0.455 991 I CA 0.132 61.440 61.300 0.013 0.000 2.981 991 I CB 0.340 38.351 38.000 0.018 0.000 1.407 991 I HN 0.129 nan 8.210 nan 0.000 0.504 992 S N -0.303 115.397 115.700 0.000 0.000 2.260 992 S HA -0.214 4.255 4.470 -0.002 0.000 0.224 992 S C 0.377 174.969 174.600 -0.013 0.000 1.222 992 S CA 2.177 60.371 58.200 -0.009 0.000 1.731 992 S CB -1.450 61.739 63.200 -0.020 0.000 2.322 992 S HN 0.883 nan 8.310 nan 0.000 0.619 993 T N 0.219 114.765 114.554 -0.013 0.000 2.937 993 T HA 0.619 4.968 4.350 -0.002 0.000 0.297 993 T C 0.168 174.867 174.700 -0.002 0.000 0.991 993 T CA -0.104 61.985 62.100 -0.019 0.000 0.990 993 T CB 1.551 70.389 68.868 -0.050 0.000 0.991 993 T HN 0.539 nan 8.240 nan 0.000 0.440 994 G N 0.421 109.232 108.800 0.018 0.000 3.993 994 G HA2 0.539 4.498 3.960 -0.002 0.000 0.294 994 G HA3 0.539 4.498 3.960 -0.002 0.000 0.294 994 G C 0.615 175.561 174.900 0.077 0.000 1.043 994 G CA 0.156 45.280 45.100 0.041 0.000 0.839 994 G HN 0.809 nan 8.290 nan 0.000 0.516 995 A N -0.577 122.278 122.820 0.059 0.000 1.878 995 A HA 0.546 4.865 4.320 -0.002 0.000 0.201 995 A C 2.193 179.734 177.584 -0.071 0.000 1.684 995 A CA 1.451 53.564 52.037 0.127 0.000 1.113 995 A CB -0.486 18.614 19.000 0.166 0.000 1.131 995 A HN 0.391 nan 8.150 nan 0.000 0.472 996 G N 0.664 109.353 108.800 -0.185 0.000 2.511 996 G HA2 0.185 4.144 3.960 -0.002 0.000 0.216 996 G HA3 0.185 4.144 3.960 -0.002 0.000 0.216 996 G C 0.701 175.423 174.900 -0.296 0.000 1.218 996 G CA 1.787 46.678 45.100 -0.347 0.000 0.788 996 G HN 1.542 nan 8.290 nan 0.000 0.560 997 S N -2.614 112.985 115.700 -0.167 0.000 2.548 997 S HA 0.510 4.979 4.470 -0.002 0.000 0.278 997 S C 0.468 175.025 174.600 -0.071 0.000 1.150 997 S CA 0.204 58.336 58.200 -0.114 0.000 0.907 997 S CB 1.420 64.471 63.200 -0.249 0.000 1.108 997 S HN 0.648 nan 8.310 nan 0.000 0.459 998 G N 0.607 109.398 108.800 -0.015 0.000 2.744 998 G HA2 0.320 4.279 3.960 -0.002 0.000 0.211 998 G HA3 0.320 4.279 3.960 -0.002 0.000 0.211 998 G C 1.138 176.009 174.900 -0.049 0.000 1.143 998 G CA 0.424 45.523 45.100 -0.002 0.000 0.788 998 G HN 1.190 nan 8.290 nan 0.000 0.534 999 A N 0.397 123.116 122.820 -0.169 0.000 2.014 999 A HA 0.022 4.341 4.320 -0.002 0.000 0.218 999 A C 2.213 179.617 177.584 -0.300 0.000 1.163 999 A CA 1.360 53.140 52.037 -0.428 0.000 0.652 999 A CB -0.202 18.326 19.000 -0.786 0.000 0.808 999 A HN 0.416 nan 8.150 nan 0.000 0.449 1000 Q N -0.228 119.493 119.800 -0.132 0.000 2.167 1000 Q HA -0.155 4.184 4.340 -0.002 0.000 0.202 1000 Q C 1.632 177.671 176.000 0.065 0.000 0.970 1000 Q CA 1.401 57.264 55.803 0.099 0.000 0.855 1000 Q CB -0.160 28.611 28.738 0.054 0.000 0.911 1000 Q HN 0.632 nan 8.270 nan 0.000 0.438 1001 N N 0.659 119.375 118.700 0.026 0.000 2.142 1001 N HA -0.116 4.622 4.740 -0.002 0.000 0.186 1001 N C 1.557 177.117 175.510 0.084 0.000 1.023 1001 N CA 1.403 54.482 53.050 0.048 0.000 0.852 1001 N CB -0.403 38.106 38.487 0.038 0.000 0.998 1001 N HN 0.231 nan 8.380 nan 0.000 0.424 1002 A N 0.366 123.239 122.820 0.089 0.000 1.898 1002 A HA -0.040 4.279 4.320 -0.002 0.000 0.216 1002 A C 2.455 180.191 177.584 0.254 0.000 1.181 1002 A CA 1.127 53.272 52.037 0.180 0.000 0.620 1002 A CB -0.786 18.352 19.000 0.230 0.000 0.819 1002 A HN 0.130 nan 8.150 nan 0.000 0.442 1003 V N -0.518 119.512 119.914 0.194 0.000 2.453 1003 V HA -0.079 4.040 4.120 -0.002 0.000 0.247 1003 V C 2.571 178.737 176.094 0.120 0.000 1.048 1003 V CA 1.883 64.297 62.300 0.190 0.000 1.049 1003 V CB -0.588 31.308 31.823 0.121 0.000 0.672 1003 V HN 0.607 nan 8.190 nan 0.000 0.457 1004 G N -0.833 108.025 108.800 0.096 0.000 2.425 1004 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.213 1004 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.213 1004 G C 1.644 176.605 174.900 0.102 0.000 1.201 1004 G CA 1.220 46.357 45.100 0.061 0.000 0.799 1004 G HN 0.446 nan 8.290 nan 0.000 0.534 1005 T N 1.234 115.863 114.554 0.124 0.000 2.833 1005 T HA -0.039 4.310 4.350 -0.002 0.000 0.269 1005 T C 2.429 177.256 174.700 0.212 0.000 1.054 1005 T CA 1.329 63.514 62.100 0.141 0.000 1.135 1005 T CB -0.450 68.490 68.868 0.120 0.000 0.869 1005 T HN 0.339 nan 8.240 nan 0.000 0.466 1006 G N 1.695 110.670 108.800 0.292 0.000 2.418 1006 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.217 1006 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.217 1006 G C 1.775 176.818 174.900 0.238 0.000 1.158 1006 G CA 1.288 46.639 45.100 0.418 0.000 0.771 1006 G HN 0.549 nan 8.290 nan 0.000 0.545 1007 V N 0.059 120.087 119.914 0.189 0.000 2.273 1007 V HA -0.046 4.073 4.120 -0.002 0.000 0.242 1007 V C 2.816 179.032 176.094 0.203 0.000 1.035 1007 V CA 2.010 64.428 62.300 0.196 0.000 1.013 1007 V CB -0.929 31.050 31.823 0.261 0.000 0.652 1007 V HN 0.449 nan 8.190 nan 0.000 0.452 1008 M N 2.181 121.892 119.600 0.184 0.000 2.159 1008 M HA 0.147 4.626 4.480 -0.002 0.000 0.263 1008 M C 2.164 178.540 176.300 0.126 0.000 1.063 1008 M CA 2.540 57.937 55.300 0.161 0.000 1.110 1008 M CB -1.528 31.141 32.600 0.115 0.000 1.374 1008 M HN 0.251 nan 8.290 nan 0.000 0.411 1009 G N 0.178 109.058 108.800 0.132 0.000 2.418 1009 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.217 1009 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.217 1009 G C 1.508 176.475 174.900 0.112 0.000 1.158 1009 G CA 0.645 45.818 45.100 0.121 0.000 0.771 1009 G HN 0.648 nan 8.290 nan 0.000 0.545 1010 G N -0.276 108.599 108.800 0.127 0.000 2.848 1010 G HA2 0.141 4.100 3.960 -0.002 0.000 0.208 1010 G HA3 0.141 4.100 3.960 -0.002 0.000 0.208 1010 G C 1.437 176.364 174.900 0.046 0.000 1.152 1010 G CA 0.881 46.033 45.100 0.088 0.000 0.789 1010 G HN 0.379 nan 8.290 nan 0.000 0.531 1011 M N 0.944 120.579 119.600 0.059 0.000 2.556 1011 M HA 0.126 4.605 4.480 -0.002 0.000 0.264 1011 M C 2.508 178.810 176.300 0.002 0.000 1.163 1011 M CA 0.908 56.219 55.300 0.018 0.000 1.186 1011 M CB -0.161 32.492 32.600 0.089 0.000 1.321 1011 M HN 0.080 nan 8.290 nan 0.000 0.485 1012 V N -1.701 118.231 119.914 0.030 0.000 2.407 1012 V HA -0.161 3.958 4.120 -0.002 0.000 0.248 1012 V C 2.100 178.194 176.094 -0.000 0.000 1.055 1012 V CA 2.286 64.595 62.300 0.015 0.000 1.049 1012 V CB -2.728 29.114 31.823 0.032 0.000 0.662 1012 V HN 0.643 nan 8.190 nan 0.000 0.455 1013 T N -1.128 113.433 114.554 0.013 0.000 2.985 1013 T HA 0.212 4.561 4.350 -0.002 0.000 0.266 1013 T C 1.746 176.437 174.700 -0.014 0.000 1.076 1013 T CA 1.047 63.155 62.100 0.013 0.000 1.135 1013 T CB -0.381 68.506 68.868 0.031 0.000 0.890 1013 T HN 0.784 nan 8.240 nan 0.000 0.480 1014 A N 0.737 123.540 122.820 -0.030 0.000 2.276 1014 A HA 0.343 4.662 4.320 -0.002 0.000 0.212 1014 A C 1.971 179.499 177.584 -0.092 0.000 1.230 1014 A CA 0.639 52.638 52.037 -0.062 0.000 0.844 1014 A CB -0.639 18.317 19.000 -0.073 0.000 0.860 1014 A HN 0.527 nan 8.150 nan 0.000 0.486 1015 T N -2.019 112.481 114.554 -0.089 0.000 3.138 1015 T HA 0.053 4.401 4.350 -0.002 0.000 0.245 1015 T C 1.752 176.344 174.700 -0.180 0.000 0.982 1015 T CA 0.995 63.025 62.100 -0.117 0.000 1.134 1015 T CB -0.170 68.645 68.868 -0.088 0.000 1.032 1015 T HN 0.043 nan 8.240 nan 0.000 0.442 1016 V N 1.823 121.638 119.914 -0.163 0.000 2.346 1016 V HA 0.021 4.140 4.120 -0.002 0.000 0.244 1016 V C 2.249 178.122 176.094 -0.368 0.000 1.037 1016 V CA 1.406 63.539 62.300 -0.277 0.000 1.029 1016 V CB -0.536 31.230 31.823 -0.095 0.000 0.663 1016 V HN 0.269 nan 8.190 nan 0.000 0.454 1017 L N 0.251 121.432 121.223 -0.070 0.000 2.395 1017 L HA 0.126 4.465 4.340 -0.002 0.000 0.218 1017 L C 2.246 179.094 176.870 -0.036 0.000 1.130 1017 L CA 1.578 56.482 54.840 0.107 0.000 0.826 1017 L CB -0.691 41.457 42.059 0.149 0.000 0.941 1017 L HN 0.280 nan 8.230 nan 0.000 0.451 1018 A N -1.483 121.258 122.820 -0.132 0.000 2.238 1018 A HA 0.102 4.421 4.320 -0.002 0.000 0.210 1018 A C 2.081 179.537 177.584 -0.213 0.000 1.179 1018 A CA 0.307 52.251 52.037 -0.155 0.000 0.827 1018 A CB -0.291 18.636 19.000 -0.122 0.000 0.856 1018 A HN 0.261 nan 8.150 nan 0.000 0.488 1019 I N -1.404 118.997 120.570 -0.282 0.000 2.585 1019 I HA 0.035 4.204 4.170 -0.002 0.000 0.254 1019 I C 1.344 177.528 176.117 0.113 0.000 1.129 1019 I CA 1.368 62.568 61.300 -0.167 0.000 1.455 1019 I CB 0.148 37.978 38.000 -0.282 0.000 1.111 1019 I HN 0.455 nan 8.210 nan 0.000 0.433 1020 F N -4.009 116.021 119.950 0.133 0.000 2.938 1020 F HA 0.397 4.923 4.527 -0.002 0.000 0.370 1020 F C 1.045 176.903 175.800 0.098 0.000 0.981 1020 F CA -1.086 57.085 58.000 0.286 0.000 1.108 1020 F CB -1.121 38.063 39.000 0.307 0.000 1.086 1020 F HN -0.156 nan 8.300 nan 0.000 0.569 1021 F N 1.869 121.964 119.950 0.241 0.000 2.144 1021 F HA 0.115 4.641 4.527 -0.002 0.000 0.257 1021 F C 2.350 178.009 175.800 -0.235 0.000 1.256 1021 F CA 0.658 58.721 58.000 0.104 0.000 1.092 1021 F CB -0.223 38.839 39.000 0.104 0.000 1.475 1021 F HN -0.190 nan 8.300 nan 0.000 0.599 1022 V N -1.073 118.836 119.914 -0.009 0.000 2.251 1022 V HA -0.123 3.996 4.120 -0.002 0.000 0.233 1022 V C -1.040 174.731 176.094 -0.537 0.000 1.041 1022 V CA 0.870 62.943 62.300 -0.378 0.000 1.000 1022 V CB -2.576 29.200 31.823 -0.079 0.000 0.643 1022 V HN 0.335 nan 8.190 nan 0.000 0.460 1023 P HA -0.058 nan 4.420 nan 0.000 0.214 1023 P C 1.080 178.296 177.300 -0.141 0.000 1.163 1023 P CA 1.236 64.140 63.100 -0.325 0.000 0.883 1023 P CB -0.195 31.345 31.700 -0.267 0.000 0.788 1024 V N 0.406 120.196 119.914 -0.208 0.000 2.720 1024 V HA -0.125 3.993 4.120 -0.002 0.000 0.307 1024 V C 0.818 176.742 176.094 -0.284 0.000 1.071 1024 V CA 0.882 62.944 62.300 -0.398 0.000 1.199 1024 V CB -1.350 30.053 31.823 -0.700 0.000 0.900 1024 V HN 0.359 nan 8.190 nan 0.000 0.494 1025 F N 2.629 122.683 119.950 0.174 0.000 2.574 1025 F HA -0.333 4.193 4.527 -0.002 0.000 0.630 1025 F C 1.044 176.910 175.800 0.110 0.000 0.496 1025 F CA 1.626 59.705 58.000 0.133 0.000 0.836 1025 F CB -1.806 37.251 39.000 0.095 0.000 1.679 1025 F HN 0.513 nan 8.300 nan 0.000 0.260 1026 F N 1.208 121.223 119.950 0.108 0.000 2.699 1026 F HA -0.013 4.513 4.527 -0.002 0.000 0.298 1026 F C 2.267 178.077 175.800 0.016 0.000 1.154 1026 F CA 0.869 58.899 58.000 0.050 0.000 1.457 1026 F CB -0.908 38.089 39.000 -0.006 0.000 1.106 1026 F HN 0.107 nan 8.300 nan 0.000 0.585 1027 V N -1.729 118.294 119.914 0.181 0.000 2.307 1027 V HA -0.183 3.936 4.120 -0.002 0.000 0.245 1027 V C 1.939 178.078 176.094 0.074 0.000 1.045 1027 V CA 1.902 64.255 62.300 0.089 0.000 1.024 1027 V CB -1.507 30.336 31.823 0.033 0.000 0.651 1027 V HN 0.209 nan 8.190 nan 0.000 0.449 1028 V N -2.647 117.329 119.914 0.103 0.000 3.506 1028 V HA 0.214 4.333 4.120 -0.002 0.000 0.263 1028 V C 2.020 178.161 176.094 0.078 0.000 1.203 1028 V CA 1.046 63.388 62.300 0.071 0.000 1.133 1028 V CB -0.011 31.895 31.823 0.139 0.000 0.802 1028 V HN 0.322 nan 8.190 nan 0.000 0.459 1029 V N 0.046 120.027 119.914 0.113 0.000 2.721 1029 V HA 0.175 4.294 4.120 -0.002 0.000 0.236 1029 V C 2.546 178.709 176.094 0.115 0.000 1.116 1029 V CA 1.354 63.749 62.300 0.159 0.000 1.148 1029 V CB -0.301 31.548 31.823 0.043 0.000 0.886 1029 V HN 0.368 nan 8.190 nan 0.000 0.490 1030 R N -0.025 120.523 120.500 0.080 0.000 2.193 1030 R HA 0.041 4.379 4.340 -0.002 0.000 0.213 1030 R C 1.964 178.301 176.300 0.062 0.000 1.055 1030 R CA 0.976 57.139 56.100 0.104 0.000 0.995 1030 R CB 0.163 30.595 30.300 0.221 0.000 0.893 1030 R HN 0.320 nan 8.270 nan 0.000 0.459 1031 R N -1.213 119.308 120.500 0.034 0.000 2.437 1031 R HA 0.173 4.512 4.340 -0.002 0.000 0.257 1031 R C 1.624 177.875 176.300 -0.083 0.000 0.927 1031 R CA 0.022 56.118 56.100 -0.007 0.000 1.078 1031 R CB 0.531 30.873 30.300 0.071 0.000 1.161 1031 R HN 0.032 nan 8.270 nan 0.000 0.529 1032 R N -0.967 119.414 120.500 -0.199 0.000 2.197 1032 R HA 0.226 4.565 4.340 -0.002 0.000 0.188 1032 R C 0.004 175.997 176.300 -0.513 0.000 1.015 1032 R CA 0.471 56.292 56.100 -0.465 0.000 1.132 1032 R CB 0.261 30.061 30.300 -0.833 0.000 1.134 1032 R HN -0.052 nan 8.270 nan 0.000 0.560 1033 F N 0.371 120.335 119.950 0.023 0.000 2.906 1033 F HA 0.235 4.761 4.527 -0.002 0.000 0.191 1033 F C 1.713 177.518 175.800 0.008 0.000 1.351 1033 F CA 0.279 58.287 58.000 0.013 0.000 0.928 1033 F CB -0.597 38.407 39.000 0.007 0.000 2.092 1033 F HN 0.181 nan 8.300 nan 0.000 0.523 1034 S N -0.756 115.099 115.700 0.259 0.000 2.884 1034 S HA -0.340 4.129 4.470 -0.002 0.000 0.274 1034 S C 0.764 175.422 174.600 0.096 0.000 1.308 1034 S CA 1.849 60.126 58.200 0.128 0.000 1.340 1034 S CB -1.673 61.584 63.200 0.095 0.000 1.657 1034 S HN 0.780 nan 8.310 nan 0.000 0.699 1035 R N 1.188 121.755 120.500 0.112 0.000 4.480 1035 R HA 0.456 4.795 4.340 -0.002 0.000 0.131 1035 R C 0.306 176.664 176.300 0.095 0.000 1.015 1035 R CA 0.204 56.350 56.100 0.078 0.000 0.941 1035 R CB 0.215 30.544 30.300 0.048 0.000 1.426 1035 R HN 0.664 nan 8.270 nan 0.000 0.435 1036 K N 0.000 120.469 120.400 0.115 0.000 2.780 1036 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 1036 K CA 0.000 56.362 56.287 0.125 0.000 0.838 1036 K CB 0.000 32.549 32.500 0.082 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543