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 1t9w_1_A DATA FIRST_RESID 7 DATA SEQUENCE DRPIFAWVIA IIIMLAGGLA ILKLPVAQYP TIAPPAVTIS ASYPGADAKT DATA SEQUENCE VQDTVTQVIE QNMNGIDNLM YMSSNSDSTG TVQITLTFES GTDADIAQVQ DATA SEQUENCE VQAKLQLAMP 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 MTSLAFILGV MPLVISTGAG SGAQNAVGTG DATA SEQUENCE VMGGMVTATV LAIFFVPVFF VVVRRRFSRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.291 176.300 -0.015 0.000 2.045 7 D CA 0.000 54.006 54.000 0.010 0.000 0.868 7 D CB 0.000 40.822 40.800 0.037 0.000 0.688 8 R N 0.772 121.246 120.500 -0.045 0.000 2.582 8 R HA 0.407 4.747 4.340 -0.000 0.000 0.271 8 R C -1.517 174.734 176.300 -0.082 0.000 1.078 8 R CA -1.009 55.016 56.100 -0.126 0.000 1.127 8 R CB 0.304 30.428 30.300 -0.293 0.000 1.038 8 R HN 0.272 nan 8.270 nan 0.000 0.500 9 P HA -0.104 nan 4.420 nan 0.000 0.209 9 P C 1.388 178.669 177.300 -0.032 0.000 1.201 9 P CA 0.749 63.793 63.100 -0.093 0.000 0.911 9 P CB -0.217 31.340 31.700 -0.238 0.000 0.758 10 I N -1.650 118.849 120.570 -0.119 0.000 2.188 10 I HA -0.320 3.850 4.170 -0.000 0.000 0.246 10 I C 2.319 178.611 176.117 0.292 0.000 1.033 10 I CA 2.040 63.359 61.300 0.032 0.000 1.307 10 I CB -2.381 35.604 38.000 -0.025 0.000 1.005 10 I HN -0.080 nan 8.210 nan 0.000 0.421 11 F N 1.653 121.649 119.950 0.078 0.000 2.113 11 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 11 F C 2.943 178.811 175.800 0.114 0.000 1.103 11 F CA 0.902 58.951 58.000 0.081 0.000 1.248 11 F CB -0.402 38.630 39.000 0.053 0.000 0.999 11 F HN 0.210 nan 8.300 nan 0.000 0.475 12 A N -0.642 122.382 122.820 0.339 0.000 2.019 12 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 12 A C 1.708 179.468 177.584 0.294 0.000 1.164 12 A CA 1.227 53.423 52.037 0.266 0.000 0.644 12 A CB -1.114 18.032 19.000 0.242 0.000 0.805 12 A HN 0.555 nan 8.150 nan 0.000 0.449 13 W N -0.641 120.710 121.300 0.085 0.000 2.584 13 W HA 0.050 4.710 4.660 -0.000 0.000 0.264 13 W C 2.091 178.647 176.519 0.063 0.000 1.264 13 W CA 0.951 58.334 57.345 0.063 0.000 1.306 13 W CB -0.225 29.268 29.460 0.054 0.000 1.110 13 W HN 0.127 nan 8.180 nan 0.000 0.606 14 V N 0.108 120.183 119.914 0.269 0.000 2.591 14 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 14 V C 2.098 178.243 176.094 0.085 0.000 1.053 14 V CA 0.993 63.389 62.300 0.160 0.000 1.068 14 V CB -0.552 31.359 31.823 0.147 0.000 0.689 14 V HN 0.015 nan 8.190 nan 0.000 0.462 15 I N 0.806 121.426 120.570 0.083 0.000 2.315 15 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 15 I C 2.617 178.735 176.117 0.002 0.000 1.117 15 I CA 1.894 63.217 61.300 0.039 0.000 1.404 15 I CB -1.170 36.859 38.000 0.048 0.000 1.071 15 I HN 0.334 nan 8.210 nan 0.000 0.419 16 A N 0.575 123.377 122.820 -0.031 0.000 1.968 16 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 16 A C 2.257 179.782 177.584 -0.098 0.000 1.169 16 A CA 0.935 52.907 52.037 -0.108 0.000 0.638 16 A CB -0.517 18.328 19.000 -0.258 0.000 0.812 16 A HN 0.370 nan 8.150 nan 0.000 0.446 17 I N -0.556 119.980 120.570 -0.057 0.000 2.761 17 I HA -0.105 4.065 4.170 -0.000 0.000 0.261 17 I C 1.937 178.051 176.117 -0.006 0.000 1.198 17 I CA 0.501 61.784 61.300 -0.029 0.000 1.482 17 I CB -0.085 37.928 38.000 0.022 0.000 1.100 17 I HN 0.275 nan 8.210 nan 0.000 0.445 18 I N 0.641 121.212 120.570 0.000 0.000 2.252 18 I HA -0.272 3.897 4.170 -0.000 0.000 0.245 18 I C 2.236 178.354 176.117 0.002 0.000 1.102 18 I CA 1.622 62.925 61.300 0.004 0.000 1.385 18 I CB -0.107 37.896 38.000 0.005 0.000 1.064 18 I HN 0.130 nan 8.210 nan 0.000 0.414 19 I N -0.233 120.333 120.570 -0.007 0.000 2.676 19 I HA -0.218 3.952 4.170 -0.000 0.000 0.259 19 I C 2.359 178.480 176.117 0.008 0.000 1.194 19 I CA 0.644 61.944 61.300 0.001 0.000 1.473 19 I CB -0.191 37.801 38.000 -0.013 0.000 1.096 19 I HN 0.218 nan 8.210 nan 0.000 0.443 20 M N -0.005 119.589 119.600 -0.010 0.000 2.175 20 M HA -0.113 4.367 4.480 -0.000 0.000 0.264 20 M C 2.200 178.507 176.300 0.011 0.000 1.063 20 M CA 1.777 57.074 55.300 -0.005 0.000 1.119 20 M CB -0.578 32.007 32.600 -0.026 0.000 1.377 20 M HN 0.260 nan 8.290 nan 0.000 0.415 21 L N -0.700 120.529 121.223 0.010 0.000 2.046 21 L HA 0.016 4.356 4.340 -0.000 0.000 0.203 21 L C 2.744 179.625 176.870 0.019 0.000 1.111 21 L CA 0.774 55.621 54.840 0.011 0.000 0.769 21 L CB -1.303 40.761 42.059 0.008 0.000 0.914 21 L HN 0.188 nan 8.230 nan 0.000 0.448 22 A N 0.755 123.586 122.820 0.019 0.000 1.957 22 A HA -0.322 3.997 4.320 -0.000 0.000 0.224 22 A C 2.243 179.858 177.584 0.051 0.000 1.287 22 A CA 2.708 54.760 52.037 0.025 0.000 0.682 22 A CB -1.745 17.267 19.000 0.020 0.000 0.833 22 A HN 0.610 nan 8.150 nan 0.000 0.482 23 G N -1.617 107.229 108.800 0.077 0.000 2.414 23 G HA2 0.100 4.060 3.960 -0.000 0.000 0.215 23 G HA3 0.100 4.060 3.960 -0.000 0.000 0.215 23 G C 1.562 176.545 174.900 0.138 0.000 1.188 23 G CA 1.218 46.413 45.100 0.159 0.000 0.783 23 G HN 0.950 nan 8.290 nan 0.000 0.537 24 G N 0.584 109.427 108.800 0.072 0.000 2.471 24 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.219 24 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.219 24 G C 1.644 176.520 174.900 -0.041 0.000 1.125 24 G CA 0.823 45.920 45.100 -0.005 0.000 0.775 24 G HN 0.381 nan 8.290 nan 0.000 0.548 25 L N 1.031 122.247 121.223 -0.012 0.000 2.093 25 L HA 0.130 4.470 4.340 -0.000 0.000 0.208 25 L C 2.658 179.510 176.870 -0.029 0.000 1.085 25 L CA 2.283 57.111 54.840 -0.019 0.000 0.755 25 L CB -1.119 40.938 42.059 -0.004 0.000 0.904 25 L HN 0.260 nan 8.230 nan 0.000 0.435 26 A N 0.094 122.905 122.820 -0.015 0.000 1.969 26 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 26 A C 2.162 179.688 177.584 -0.096 0.000 1.169 26 A CA 1.563 53.591 52.037 -0.015 0.000 0.635 26 A CB -0.602 18.437 19.000 0.066 0.000 0.810 26 A HN 0.446 nan 8.150 nan 0.000 0.445 27 I N -0.933 119.517 120.570 -0.201 0.000 2.394 27 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 27 I C 1.658 177.680 176.117 -0.159 0.000 1.136 27 I CA 1.005 62.131 61.300 -0.290 0.000 1.425 27 I CB -0.023 37.714 38.000 -0.438 0.000 1.079 27 I HN 0.223 nan 8.210 nan 0.000 0.425 28 L N -0.456 120.703 121.223 -0.107 0.000 2.592 28 L HA 0.113 4.453 4.340 -0.000 0.000 0.227 28 L C 1.267 178.108 176.870 -0.049 0.000 1.127 28 L CA 0.612 55.410 54.840 -0.070 0.000 0.884 28 L CB -0.153 41.873 42.059 -0.055 0.000 1.065 28 L HN 0.001 nan 8.230 nan 0.000 0.457 29 K N 0.745 121.117 120.400 -0.047 0.000 3.099 29 K HA 0.327 4.647 4.320 -0.000 0.000 0.197 29 K C -1.203 175.387 176.600 -0.018 0.000 1.114 29 K CA -0.103 56.168 56.287 -0.027 0.000 1.024 29 K CB 0.790 33.278 32.500 -0.019 0.000 0.711 29 K HN 0.102 nan 8.250 nan 0.000 0.432 30 L N -1.672 119.537 121.223 -0.023 0.000 2.612 30 L HA 0.646 4.986 4.340 -0.000 0.000 0.256 30 L C -2.966 173.899 176.870 -0.007 0.000 0.949 30 L CA -1.468 53.371 54.840 -0.003 0.000 0.867 30 L CB 1.845 43.916 42.059 0.021 0.000 1.417 30 L HN -0.124 nan 8.230 nan 0.000 0.414 31 P HA 0.082 nan 4.420 nan 0.000 0.267 31 P C 0.069 177.369 177.300 -0.000 0.000 1.201 31 P CA -0.262 62.843 63.100 0.009 0.000 0.775 31 P CB 0.640 32.355 31.700 0.025 0.000 0.854 32 V N -0.531 119.376 119.914 -0.010 0.000 3.121 32 V HA 0.389 4.509 4.120 -0.000 0.000 0.344 32 V C 0.836 176.917 176.094 -0.021 0.000 1.390 32 V CA -0.291 61.995 62.300 -0.023 0.000 1.177 32 V CB -0.598 31.202 31.823 -0.039 0.000 1.163 32 V HN 0.596 nan 8.190 nan 0.000 0.484 33 A N 0.404 123.220 122.820 -0.006 0.000 2.292 33 A HA 0.521 4.841 4.320 -0.000 0.000 0.265 33 A C 0.769 178.329 177.584 -0.041 0.000 1.133 33 A CA -0.112 51.923 52.037 -0.003 0.000 0.807 33 A CB 0.375 19.390 19.000 0.024 0.000 1.102 33 A HN 0.479 nan 8.150 nan 0.000 0.502 34 Q N -1.154 118.621 119.800 -0.040 0.000 2.442 34 Q HA 0.183 4.523 4.340 -0.000 0.000 0.175 34 Q C -0.706 175.208 176.000 -0.143 0.000 1.096 34 Q CA -0.229 55.478 55.803 -0.160 0.000 1.009 34 Q CB -0.255 28.433 28.738 -0.084 0.000 2.678 34 Q HN 0.631 nan 8.270 nan 0.000 0.509 35 Y N 1.825 122.125 120.300 0.001 0.000 2.987 35 Y HA -0.096 4.454 4.550 -0.000 0.000 0.339 35 Y C -1.564 174.335 175.900 -0.001 0.000 1.272 35 Y CA -0.856 57.230 58.100 -0.023 0.000 1.562 35 Y CB -0.804 37.639 38.460 -0.028 0.000 1.253 35 Y HN 0.388 nan 8.280 nan 0.000 0.604 36 P HA 0.096 nan 4.420 nan 0.000 0.297 36 P C -0.615 176.740 177.300 0.092 0.000 1.303 36 P CA -0.595 62.562 63.100 0.095 0.000 0.753 36 P CB 0.478 32.223 31.700 0.076 0.000 1.281 37 T N 0.625 115.221 114.554 0.070 0.000 2.814 37 T HA 0.259 4.609 4.350 -0.000 0.000 0.297 37 T C 1.008 175.738 174.700 0.050 0.000 0.956 37 T CA 0.270 62.405 62.100 0.059 0.000 1.123 37 T CB -0.297 68.600 68.868 0.048 0.000 0.902 37 T HN 0.252 nan 8.240 nan 0.000 0.528 38 I N 1.185 121.786 120.570 0.052 0.000 4.193 38 I HA 0.428 4.598 4.170 -0.000 0.000 0.287 38 I C 1.198 177.350 176.117 0.059 0.000 1.175 38 I CA -0.483 60.847 61.300 0.050 0.000 1.320 38 I CB -0.931 37.100 38.000 0.052 0.000 1.523 38 I HN 0.535 nan 8.210 nan 0.000 0.450 39 A N 4.333 127.189 122.820 0.060 0.000 2.540 39 A HA 0.419 4.739 4.320 -0.000 0.000 0.239 39 A C -2.177 175.452 177.584 0.075 0.000 1.061 39 A CA -0.648 51.431 52.037 0.069 0.000 0.758 39 A CB -1.043 17.996 19.000 0.065 0.000 0.991 39 A HN 0.221 nan 8.150 nan 0.000 0.502 40 P HA 0.200 nan 4.420 nan 0.000 0.266 40 P C -2.640 174.717 177.300 0.096 0.000 1.215 40 P CA -0.933 62.225 63.100 0.096 0.000 0.763 40 P CB -0.229 31.538 31.700 0.112 0.000 0.806 41 P HA 0.203 nan 4.420 nan 0.000 0.267 41 P C -0.616 176.763 177.300 0.133 0.000 1.209 41 P CA 0.283 63.422 63.100 0.064 0.000 0.763 41 P CB 0.440 32.137 31.700 -0.005 0.000 0.816 42 A N 3.533 126.433 122.820 0.133 0.000 2.356 42 A HA 0.574 4.894 4.320 -0.000 0.000 0.310 42 A C -0.483 177.200 177.584 0.164 0.000 1.075 42 A CA -0.650 51.507 52.037 0.201 0.000 0.746 42 A CB 1.089 20.160 19.000 0.119 0.000 1.221 42 A HN 0.319 nan 8.150 nan 0.000 0.443 43 V N 1.433 121.496 119.914 0.250 0.000 2.785 43 V HA 0.608 4.728 4.120 -0.000 0.000 0.300 43 V C 0.249 176.417 176.094 0.123 0.000 1.062 43 V CA -0.166 62.234 62.300 0.167 0.000 1.029 43 V CB 1.664 33.614 31.823 0.212 0.000 1.024 43 V HN 0.910 nan 8.190 nan 0.000 0.477 44 T N 4.516 119.121 114.554 0.085 0.000 2.906 44 T HA 0.557 4.907 4.350 -0.000 0.000 0.302 44 T C -0.308 174.423 174.700 0.053 0.000 1.002 44 T CA -0.218 61.923 62.100 0.068 0.000 0.988 44 T CB 0.694 69.602 68.868 0.068 0.000 0.972 44 T HN 0.356 nan 8.240 nan 0.000 0.447 45 I N 2.796 123.393 120.570 0.045 0.000 2.720 45 I HA 0.457 4.627 4.170 -0.000 0.000 0.287 45 I C 0.401 176.537 176.117 0.031 0.000 1.090 45 I CA -0.265 61.055 61.300 0.033 0.000 1.384 45 I CB 1.027 39.042 38.000 0.026 0.000 1.420 45 I HN 0.727 nan 8.210 nan 0.000 0.575 46 S N 3.360 119.074 115.700 0.023 0.000 2.382 46 S HA 0.685 5.154 4.470 -0.000 0.000 0.228 46 S C -0.673 173.936 174.600 0.014 0.000 0.996 46 S CA -0.897 57.316 58.200 0.022 0.000 1.094 46 S CB 0.893 64.105 63.200 0.021 0.000 1.209 46 S HN 0.808 nan 8.310 nan 0.000 0.420 47 A N 1.661 124.491 122.820 0.017 0.000 2.263 47 A HA 0.972 5.292 4.320 -0.000 0.000 0.318 47 A C 0.130 177.732 177.584 0.029 0.000 1.111 47 A CA -0.974 51.070 52.037 0.011 0.000 0.901 47 A CB 1.541 20.543 19.000 0.004 0.000 1.280 47 A HN 1.377 nan 8.150 nan 0.000 0.503 48 S N -1.226 114.495 115.700 0.035 0.000 2.626 48 S HA 0.427 4.897 4.470 -0.000 0.000 0.275 48 S C -1.899 172.778 174.600 0.128 0.000 1.175 48 S CA -0.323 57.923 58.200 0.077 0.000 0.982 48 S CB 0.524 63.759 63.200 0.058 0.000 1.093 48 S HN 0.620 nan 8.310 nan 0.000 0.472 49 Y N 6.809 127.127 120.300 0.029 0.000 2.491 49 Y HA 0.416 4.966 4.550 -0.000 0.000 0.334 49 Y C -2.243 173.691 175.900 0.057 0.000 0.969 49 Y CA -2.710 55.412 58.100 0.038 0.000 1.241 49 Y CB 1.196 39.675 38.460 0.031 0.000 1.105 49 Y HN 0.444 nan 8.280 nan 0.000 0.503 50 P HA 0.147 nan 4.420 nan 0.000 0.276 50 P C 0.599 177.992 177.300 0.155 0.000 1.264 50 P CA 1.165 64.400 63.100 0.226 0.000 0.769 50 P CB 1.243 33.107 31.700 0.273 0.000 0.840 51 G N 2.747 111.586 108.800 0.066 0.000 2.284 51 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 51 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 51 G C 0.376 175.218 174.900 -0.096 0.000 1.009 51 G CA -0.005 45.104 45.100 0.014 0.000 0.625 51 G HN 0.837 nan 8.290 nan 0.000 0.501 52 A N 1.077 123.746 122.820 -0.251 0.000 2.445 52 A HA 0.545 4.865 4.320 -0.000 0.000 0.242 52 A C 0.642 178.140 177.584 -0.144 0.000 1.075 52 A CA 0.987 52.811 52.037 -0.356 0.000 0.777 52 A CB -0.038 18.523 19.000 -0.732 0.000 1.013 52 A HN 1.082 nan 8.150 nan 0.000 0.493 53 D N 0.943 121.278 120.400 -0.109 0.000 2.425 53 D HA 0.508 5.147 4.640 -0.000 0.000 0.274 53 D C 1.171 177.466 176.300 -0.008 0.000 1.242 53 D CA 0.047 54.025 54.000 -0.037 0.000 1.060 53 D CB 0.518 41.301 40.800 -0.028 0.000 1.112 53 D HN 0.415 nan 8.370 nan 0.000 0.561 54 A N -0.301 122.534 122.820 0.025 0.000 1.855 54 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 54 A C 1.939 179.553 177.584 0.050 0.000 1.191 54 A CA 1.535 53.601 52.037 0.049 0.000 0.613 54 A CB -0.772 18.272 19.000 0.074 0.000 0.829 54 A HN 0.619 nan 8.150 nan 0.000 0.442 55 K N -0.545 119.884 120.400 0.049 0.000 2.459 55 K HA 0.040 4.360 4.320 -0.000 0.000 0.193 55 K C 1.350 177.971 176.600 0.034 0.000 1.030 55 K CA 1.239 57.558 56.287 0.052 0.000 1.026 55 K CB -0.742 31.796 32.500 0.064 0.000 0.809 55 K HN 0.319 nan 8.250 nan 0.000 0.504 56 T N 2.150 116.711 114.554 0.011 0.000 2.770 56 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 56 T C 2.000 176.731 174.700 0.053 0.000 1.039 56 T CA 1.765 63.865 62.100 0.000 0.000 1.142 56 T CB -0.217 68.598 68.868 -0.087 0.000 0.868 56 T HN 0.253 nan 8.240 nan 0.000 0.435 57 V N 0.395 120.343 119.914 0.058 0.000 3.217 57 V HA 0.020 4.140 4.120 -0.000 0.000 0.264 57 V C 2.228 178.375 176.094 0.088 0.000 1.135 57 V CA 1.133 63.504 62.300 0.119 0.000 1.142 57 V CB -0.747 31.148 31.823 0.119 0.000 0.754 57 V HN 0.297 nan 8.190 nan 0.000 0.484 58 Q N 2.220 122.059 119.800 0.065 0.000 2.230 58 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 58 Q C 1.309 177.336 176.000 0.046 0.000 0.963 58 Q CA 2.184 58.018 55.803 0.052 0.000 0.866 58 Q CB 0.090 28.857 28.738 0.048 0.000 0.931 58 Q HN 1.015 nan 8.270 nan 0.000 0.452 59 D N -3.144 117.287 120.400 0.051 0.000 2.520 59 D HA 0.047 4.687 4.640 -0.000 0.000 0.223 59 D C 1.058 177.387 176.300 0.049 0.000 1.186 59 D CA 0.098 54.123 54.000 0.042 0.000 0.821 59 D CB 0.045 40.866 40.800 0.035 0.000 1.072 59 D HN -0.075 nan 8.370 nan 0.000 0.518 60 T N -0.884 113.714 114.554 0.074 0.000 3.034 60 T HA 0.134 4.484 4.350 -0.000 0.000 0.248 60 T C 1.339 176.074 174.700 0.058 0.000 1.040 60 T CA 0.893 63.043 62.100 0.082 0.000 1.107 60 T CB 0.247 69.207 68.868 0.153 0.000 0.932 60 T HN 0.033 nan 8.240 nan 0.000 0.474 61 V N 0.257 120.213 119.914 0.069 0.000 2.911 61 V HA 0.115 4.235 4.120 -0.000 0.000 0.237 61 V C 2.651 178.763 176.094 0.030 0.000 1.156 61 V CA 1.112 63.436 62.300 0.039 0.000 1.180 61 V CB -0.544 31.313 31.823 0.056 0.000 0.932 61 V HN 0.321 nan 8.190 nan 0.000 0.483 62 T N -0.039 114.539 114.554 0.040 0.000 2.668 62 T HA -0.196 4.154 4.350 -0.000 0.000 0.262 62 T C 1.926 176.636 174.700 0.016 0.000 1.045 62 T CA 1.590 63.707 62.100 0.029 0.000 1.152 62 T CB -0.271 68.618 68.868 0.035 0.000 0.864 62 T HN 0.350 nan 8.240 nan 0.000 0.419 63 Q N 0.357 120.167 119.800 0.017 0.000 2.170 63 Q HA -0.069 4.271 4.340 -0.000 0.000 0.203 63 Q C 2.601 178.603 176.000 0.002 0.000 0.976 63 Q CA 1.017 56.825 55.803 0.008 0.000 0.858 63 Q CB -0.436 28.309 28.738 0.011 0.000 0.907 63 Q HN 0.344 nan 8.270 nan 0.000 0.433 64 V N 1.015 120.932 119.914 0.005 0.000 2.343 64 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 64 V C 2.115 178.205 176.094 -0.006 0.000 1.051 64 V CA 1.558 63.858 62.300 -0.001 0.000 1.036 64 V CB -0.397 31.426 31.823 -0.001 0.000 0.654 64 V HN 0.324 nan 8.190 nan 0.000 0.451 65 I N -0.503 120.064 120.570 -0.005 0.000 2.439 65 I HA -0.157 4.013 4.170 -0.000 0.000 0.251 65 I C 2.510 178.618 176.117 -0.015 0.000 1.139 65 I CA 1.221 62.516 61.300 -0.008 0.000 1.438 65 I CB -0.357 37.641 38.000 -0.004 0.000 1.085 65 I HN 0.349 nan 8.210 nan 0.000 0.427 66 E N 0.737 120.927 120.200 -0.016 0.000 2.150 66 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 66 E C 2.083 178.664 176.600 -0.032 0.000 0.985 66 E CA 1.012 57.395 56.400 -0.028 0.000 0.814 66 E CB -0.098 29.585 29.700 -0.027 0.000 0.752 66 E HN 0.654 nan 8.360 nan 0.000 0.466 67 Q N 0.198 119.984 119.800 -0.023 0.000 2.245 67 Q HA -0.057 4.283 4.340 -0.000 0.000 0.201 67 Q C 1.130 177.117 176.000 -0.022 0.000 0.955 67 Q CA 0.743 56.533 55.803 -0.022 0.000 0.870 67 Q CB -0.199 28.529 28.738 -0.016 0.000 0.945 67 Q HN 0.089 nan 8.270 nan 0.000 0.461 68 N N -0.292 118.397 118.700 -0.019 0.000 2.268 68 N HA 0.077 4.817 4.740 -0.000 0.000 0.204 68 N C -0.154 175.345 175.510 -0.019 0.000 1.124 68 N CA -0.033 53.007 53.050 -0.016 0.000 0.838 68 N CB 0.452 38.931 38.487 -0.012 0.000 0.994 68 N HN -0.012 nan 8.380 nan 0.000 0.489 69 M N 1.519 121.102 119.600 -0.027 0.000 3.462 69 M HA 0.186 4.666 4.480 -0.000 0.000 0.219 69 M C -0.669 175.604 176.300 -0.045 0.000 1.207 69 M CA -0.144 55.136 55.300 -0.035 0.000 1.284 69 M CB -1.245 31.327 32.600 -0.047 0.000 1.160 69 M HN 0.228 nan 8.290 nan 0.000 0.598 70 N N -1.767 116.914 118.700 -0.031 0.000 2.629 70 N HA 0.555 5.295 4.740 -0.000 0.000 0.279 70 N C 0.437 175.936 175.510 -0.017 0.000 1.344 70 N CA 0.100 53.131 53.050 -0.032 0.000 0.789 70 N CB 1.253 39.723 38.487 -0.029 0.000 1.508 70 N HN 0.320 nan 8.380 nan 0.000 0.516 71 G N -0.204 108.588 108.800 -0.015 0.000 2.246 71 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.273 71 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.273 71 G C -0.536 174.369 174.900 0.009 0.000 1.055 71 G CA 0.140 45.238 45.100 -0.003 0.000 0.851 71 G HN 0.551 nan 8.290 nan 0.000 0.500 72 I N 0.299 120.873 120.570 0.007 0.000 2.377 72 I HA 0.310 4.480 4.170 -0.000 0.000 0.293 72 I C -0.250 175.898 176.117 0.051 0.000 0.987 72 I CA -1.012 60.312 61.300 0.039 0.000 1.185 72 I CB 1.454 39.468 38.000 0.023 0.000 1.341 72 I HN -0.077 nan 8.210 nan 0.000 0.455 73 D N 6.264 126.718 120.400 0.091 0.000 2.348 73 D HA 0.185 4.825 4.640 -0.000 0.000 0.253 73 D C -0.024 176.369 176.300 0.156 0.000 1.161 73 D CA 0.516 54.571 54.000 0.091 0.000 0.876 73 D CB 0.223 41.068 40.800 0.075 0.000 1.160 73 D HN 0.393 nan 8.370 nan 0.000 0.459 74 N N 1.283 120.048 118.700 0.108 0.000 3.734 74 N HA -0.208 4.532 4.740 -0.000 0.000 0.293 74 N C -1.474 174.062 175.510 0.043 0.000 2.048 74 N CA 0.204 53.332 53.050 0.131 0.000 2.515 74 N CB -0.284 38.339 38.487 0.226 0.000 0.580 74 N HN 0.271 nan 8.380 nan 0.000 0.627 75 L N 2.811 123.993 121.223 -0.069 0.000 2.705 75 L HA 0.274 4.614 4.340 -0.000 0.000 0.260 75 L C 0.602 177.386 176.870 -0.143 0.000 0.921 75 L CA -0.322 54.371 54.840 -0.244 0.000 0.948 75 L CB 1.751 43.633 42.059 -0.294 0.000 1.427 75 L HN 0.616 nan 8.230 nan 0.000 0.432 76 M N 3.062 122.556 119.600 -0.178 0.000 2.398 76 M HA 0.225 4.705 4.480 -0.000 0.000 0.261 76 M C -0.542 175.807 176.300 0.082 0.000 1.125 76 M CA 1.191 56.485 55.300 -0.009 0.000 1.183 76 M CB 0.186 32.822 32.600 0.059 0.000 1.322 76 M HN 0.571 nan 8.290 nan 0.000 0.467 77 Y N -2.024 118.232 120.300 -0.073 0.000 2.764 77 Y HA 0.722 5.272 4.550 -0.000 0.000 0.331 77 Y C -1.226 174.567 175.900 -0.178 0.000 1.280 77 Y CA -2.173 55.858 58.100 -0.115 0.000 1.065 77 Y CB 1.197 39.706 38.460 0.082 0.000 1.319 77 Y HN 0.016 nan 8.280 nan 0.000 0.453 78 M N 3.049 122.618 119.600 -0.051 0.000 2.224 78 M HA 0.627 5.107 4.480 -0.000 0.000 0.281 78 M C -1.471 174.830 176.300 0.002 0.000 1.025 78 M CA -0.329 54.927 55.300 -0.073 0.000 0.954 78 M CB 1.862 34.363 32.600 -0.163 0.000 1.639 78 M HN 0.983 nan 8.290 nan 0.000 0.461 79 S N 2.977 118.779 115.700 0.170 0.000 2.767 79 S HA 0.935 5.405 4.470 -0.000 0.000 0.300 79 S C -0.440 174.223 174.600 0.106 0.000 1.123 79 S CA -0.547 57.778 58.200 0.208 0.000 0.992 79 S CB 1.945 65.310 63.200 0.275 0.000 1.138 79 S HN 0.870 nan 8.310 nan 0.000 0.550 80 S N -0.038 115.723 115.700 0.101 0.000 2.567 80 S HA 0.574 5.044 4.470 -0.000 0.000 0.270 80 S C -2.232 172.407 174.600 0.064 0.000 1.152 80 S CA -0.815 57.426 58.200 0.067 0.000 0.835 80 S CB 1.026 64.252 63.200 0.042 0.000 1.115 80 S HN 0.805 nan 8.310 nan 0.000 0.459 81 N N 0.882 119.617 118.700 0.059 0.000 2.329 81 N HA 0.636 5.376 4.740 -0.000 0.000 0.282 81 N C -1.932 173.611 175.510 0.055 0.000 1.198 81 N CA -0.590 52.494 53.050 0.057 0.000 0.790 81 N CB 2.163 40.690 38.487 0.067 0.000 1.579 81 N HN 0.666 nan 8.380 nan 0.000 0.475 82 S N 0.041 115.774 115.700 0.055 0.000 2.737 82 S HA 0.376 4.846 4.470 -0.000 0.000 0.269 82 S C -1.238 173.399 174.600 0.063 0.000 1.150 82 S CA -1.002 57.233 58.200 0.058 0.000 1.077 82 S CB 1.607 64.839 63.200 0.054 0.000 1.075 82 S HN 0.315 nan 8.310 nan 0.000 0.476 83 D N 1.674 122.113 120.400 0.064 0.000 2.340 83 D HA 0.286 4.926 4.640 -0.000 0.000 0.251 83 D C 1.097 177.433 176.300 0.060 0.000 1.080 83 D CA -0.337 53.703 54.000 0.066 0.000 0.971 83 D CB 1.688 42.529 40.800 0.068 0.000 1.137 83 D HN 0.569 nan 8.370 nan 0.000 0.475 84 S N -0.976 114.761 115.700 0.062 0.000 2.522 84 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 84 S C 1.462 176.090 174.600 0.045 0.000 0.986 84 S CA 0.628 58.859 58.200 0.052 0.000 0.929 84 S CB -0.142 63.095 63.200 0.061 0.000 0.769 84 S HN 0.415 nan 8.310 nan 0.000 0.529 85 T N 1.305 115.891 114.554 0.053 0.000 3.055 85 T HA 0.368 4.718 4.350 -0.000 0.000 0.265 85 T C 1.171 175.901 174.700 0.050 0.000 1.111 85 T CA 0.637 62.768 62.100 0.052 0.000 1.118 85 T CB -0.496 68.405 68.868 0.055 0.000 0.909 85 T HN 1.008 nan 8.240 nan 0.000 0.501 86 G N 2.453 111.284 108.800 0.051 0.000 2.600 86 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.251 86 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.251 86 G C -0.078 174.874 174.900 0.088 0.000 1.142 86 G CA -0.336 44.805 45.100 0.067 0.000 0.994 86 G HN 0.716 nan 8.290 nan 0.000 0.511 87 T N -2.790 111.809 114.554 0.075 0.000 3.293 87 T HA 0.636 4.986 4.350 -0.000 0.000 0.320 87 T C -0.414 174.324 174.700 0.063 0.000 0.995 87 T CA -0.163 61.976 62.100 0.065 0.000 1.041 87 T CB 2.136 71.032 68.868 0.046 0.000 1.058 87 T HN 1.589 nan 8.240 nan 0.000 0.453 88 V N 2.483 122.434 119.914 0.062 0.000 2.630 88 V HA 0.823 4.943 4.120 -0.000 0.000 0.305 88 V C -1.070 175.053 176.094 0.048 0.000 1.046 88 V CA -0.512 61.822 62.300 0.056 0.000 0.934 88 V CB 1.795 33.652 31.823 0.057 0.000 1.003 88 V HN 1.099 nan 8.190 nan 0.000 0.451 89 Q N 4.666 124.497 119.800 0.050 0.000 2.406 89 Q HA 0.489 4.829 4.340 -0.000 0.000 0.244 89 Q C -1.914 174.119 176.000 0.054 0.000 0.884 89 Q CA -0.493 55.340 55.803 0.051 0.000 0.813 89 Q CB 1.535 30.308 28.738 0.058 0.000 1.368 89 Q HN 0.783 nan 8.270 nan 0.000 0.439 90 I N 1.867 122.465 120.570 0.046 0.000 2.577 90 I HA 0.417 4.587 4.170 -0.000 0.000 0.300 90 I C -0.013 176.134 176.117 0.051 0.000 0.990 90 I CA -0.054 61.272 61.300 0.043 0.000 1.283 90 I CB 2.185 40.197 38.000 0.022 0.000 1.411 90 I HN 0.517 nan 8.210 nan 0.000 0.515 91 T N 6.192 120.779 114.554 0.055 0.000 3.068 91 T HA 0.423 4.773 4.350 -0.000 0.000 0.364 91 T C -0.409 174.290 174.700 -0.002 0.000 1.161 91 T CA -0.405 61.730 62.100 0.058 0.000 1.155 91 T CB 0.038 68.968 68.868 0.102 0.000 1.060 91 T HN 0.142 nan 8.240 nan 0.000 0.513 92 L N 3.666 124.859 121.223 -0.050 0.000 2.454 92 L HA 0.264 4.604 4.340 -0.000 0.000 0.284 92 L C 0.956 177.643 176.870 -0.305 0.000 1.139 92 L CA 0.060 54.766 54.840 -0.223 0.000 0.911 92 L CB -0.217 41.696 42.059 -0.243 0.000 1.262 92 L HN 0.490 nan 8.230 nan 0.000 0.453 93 T N 2.971 117.252 114.554 -0.455 0.000 2.869 93 T HA 0.422 4.771 4.350 -0.000 0.000 0.295 93 T C 0.097 174.495 174.700 -0.505 0.000 0.987 93 T CA -0.060 61.785 62.100 -0.425 0.000 1.109 93 T CB 0.479 68.883 68.868 -0.772 0.000 0.932 93 T HN 0.036 nan 8.240 nan 0.000 0.518 94 F N 0.598 120.441 119.950 -0.178 0.000 2.535 94 F HA 0.446 4.973 4.527 -0.000 0.000 0.367 94 F C 1.169 176.929 175.800 -0.066 0.000 1.096 94 F CA -1.290 56.646 58.000 -0.106 0.000 1.088 94 F CB 0.513 39.479 39.000 -0.056 0.000 1.387 94 F HN 0.356 nan 8.300 nan 0.000 0.494 95 E N -0.285 120.029 120.200 0.190 0.000 2.435 95 E HA 0.017 4.367 4.350 -0.000 0.000 0.256 95 E C -0.094 176.582 176.600 0.127 0.000 1.245 95 E CA -0.159 56.317 56.400 0.127 0.000 0.989 95 E CB 0.097 29.864 29.700 0.111 0.000 0.983 95 E HN 0.392 nan 8.360 nan 0.000 0.480 96 S N -0.358 115.407 115.700 0.109 0.000 2.558 96 S HA 0.167 4.636 4.470 -0.000 0.000 0.287 96 S C 1.037 175.689 174.600 0.087 0.000 1.321 96 S CA 0.581 58.842 58.200 0.101 0.000 1.048 96 S CB -0.151 63.115 63.200 0.111 0.000 0.844 96 S HN 0.677 nan 8.310 nan 0.000 0.512 97 G N 4.229 113.071 108.800 0.069 0.000 2.458 97 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.300 97 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.300 97 G C 0.240 175.153 174.900 0.022 0.000 0.870 97 G CA 0.859 45.984 45.100 0.042 0.000 0.987 97 G HN 0.839 nan 8.290 nan 0.000 0.503 98 T N 0.583 115.144 114.554 0.013 0.000 2.799 98 T HA 0.246 4.596 4.350 -0.000 0.000 0.296 98 T C 0.551 175.183 174.700 -0.113 0.000 0.947 98 T CA -0.106 61.975 62.100 -0.031 0.000 1.141 98 T CB 0.637 69.499 68.868 -0.009 0.000 0.891 98 T HN 0.347 nan 8.240 nan 0.000 0.533 99 D N 2.536 122.882 120.400 -0.090 0.000 2.819 99 D HA 0.084 4.724 4.640 -0.000 0.000 0.236 99 D C 1.038 177.232 176.300 -0.177 0.000 1.181 99 D CA 0.327 54.267 54.000 -0.100 0.000 0.855 99 D CB 0.319 41.075 40.800 -0.073 0.000 1.146 99 D HN 0.632 nan 8.370 nan 0.000 0.540 100 A N 3.662 126.392 122.820 -0.150 0.000 2.168 100 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 100 A C 1.726 179.223 177.584 -0.145 0.000 1.152 100 A CA 0.834 52.763 52.037 -0.181 0.000 0.716 100 A CB 0.050 18.987 19.000 -0.104 0.000 0.794 100 A HN 0.578 nan 8.150 nan 0.000 0.465 101 D N -0.222 120.115 120.400 -0.104 0.000 2.085 101 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 101 D C 1.749 177.999 176.300 -0.084 0.000 0.981 101 D CA 1.469 55.425 54.000 -0.074 0.000 0.834 101 D CB -0.197 40.574 40.800 -0.049 0.000 0.992 101 D HN 0.459 nan 8.370 nan 0.000 0.457 102 I N 1.242 121.755 120.570 -0.094 0.000 2.439 102 I HA -0.073 4.097 4.170 -0.000 0.000 0.251 102 I C 2.069 178.115 176.117 -0.119 0.000 1.139 102 I CA 0.732 61.983 61.300 -0.082 0.000 1.438 102 I CB -0.255 37.709 38.000 -0.060 0.000 1.085 102 I HN -0.130 nan 8.210 nan 0.000 0.427 103 A N -0.336 122.336 122.820 -0.247 0.000 1.969 103 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 103 A C 2.358 179.799 177.584 -0.240 0.000 1.169 103 A CA 1.652 53.417 52.037 -0.453 0.000 0.635 103 A CB -0.739 17.557 19.000 -1.174 0.000 0.810 103 A HN 0.636 nan 8.150 nan 0.000 0.445 104 Q N -0.194 119.508 119.800 -0.162 0.000 2.119 104 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 104 Q C 1.836 177.832 176.000 -0.007 0.000 0.972 104 Q CA 1.652 57.425 55.803 -0.051 0.000 0.847 104 Q CB -0.107 28.603 28.738 -0.047 0.000 0.903 104 Q HN 0.434 nan 8.270 nan 0.000 0.433 105 V N 0.999 120.902 119.914 -0.019 0.000 2.379 105 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 105 V C 2.190 178.295 176.094 0.019 0.000 1.044 105 V CA 1.842 64.141 62.300 -0.002 0.000 1.036 105 V CB -0.531 31.286 31.823 -0.010 0.000 0.664 105 V HN 0.405 nan 8.190 nan 0.000 0.453 106 Q N -0.562 119.258 119.800 0.033 0.000 2.124 106 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 106 Q C 2.366 178.410 176.000 0.073 0.000 0.977 106 Q CA 1.535 57.373 55.803 0.058 0.000 0.850 106 Q CB -0.249 28.543 28.738 0.090 0.000 0.901 106 Q HN 0.516 nan 8.270 nan 0.000 0.429 107 V N 1.404 121.380 119.914 0.104 0.000 2.453 107 V HA -0.247 3.872 4.120 -0.000 0.000 0.247 107 V C 2.096 178.219 176.094 0.050 0.000 1.048 107 V CA 2.114 64.471 62.300 0.095 0.000 1.049 107 V CB -0.343 31.569 31.823 0.150 0.000 0.672 107 V HN 0.508 nan 8.190 nan 0.000 0.457 108 Q N 0.239 120.062 119.800 0.039 0.000 2.320 108 Q HA 0.320 4.660 4.340 -0.000 0.000 0.201 108 Q C 0.822 176.830 176.000 0.013 0.000 0.910 108 Q CA 0.761 56.577 55.803 0.021 0.000 0.946 108 Q CB 0.178 28.925 28.738 0.016 0.000 1.062 108 Q HN 0.449 nan 8.270 nan 0.000 0.503 109 A N 0.403 123.233 122.820 0.017 0.000 3.106 109 A HA 0.440 4.760 4.320 -0.000 0.000 0.306 109 A C 0.186 177.776 177.584 0.010 0.000 1.192 109 A CA -0.494 51.550 52.037 0.011 0.000 0.994 109 A CB 0.262 19.268 19.000 0.011 0.000 1.107 109 A HN 0.115 nan 8.150 nan 0.000 0.585 110 K N -1.388 119.016 120.400 0.008 0.000 2.639 110 K HA 0.108 4.428 4.320 -0.000 0.000 0.155 110 K C 1.237 177.837 176.600 -0.000 0.000 2.086 110 K CA 0.285 56.575 56.287 0.004 0.000 1.353 110 K CB -0.822 31.683 32.500 0.008 0.000 2.331 110 K HN 0.368 nan 8.250 nan 0.000 0.554 111 L N 2.331 123.556 121.223 0.002 0.000 2.079 111 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 111 L C 2.431 179.297 176.870 -0.007 0.000 1.081 111 L CA 1.833 56.671 54.840 -0.002 0.000 0.752 111 L CB -0.029 42.031 42.059 0.001 0.000 0.896 111 L HN 0.342 nan 8.230 nan 0.000 0.433 112 Q N -0.226 119.570 119.800 -0.006 0.000 2.135 112 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 112 Q C 2.174 178.167 176.000 -0.011 0.000 0.981 112 Q CA 1.731 57.529 55.803 -0.009 0.000 0.856 112 Q CB -0.082 28.652 28.738 -0.006 0.000 0.902 112 Q HN 0.652 nan 8.270 nan 0.000 0.425 113 L N -0.846 120.372 121.223 -0.008 0.000 2.217 113 L HA 0.019 4.359 4.340 -0.000 0.000 0.211 113 L C 2.175 179.039 176.870 -0.011 0.000 1.107 113 L CA 0.779 55.613 54.840 -0.009 0.000 0.783 113 L CB -0.401 41.654 42.059 -0.007 0.000 0.919 113 L HN 0.092 nan 8.230 nan 0.000 0.442 114 A N -0.821 121.991 122.820 -0.012 0.000 2.275 114 A HA 0.125 4.444 4.320 -0.000 0.000 0.212 114 A C 2.274 179.846 177.584 -0.019 0.000 1.201 114 A CA 0.085 52.113 52.037 -0.014 0.000 0.843 114 A CB -0.185 18.807 19.000 -0.012 0.000 0.873 114 A HN 0.228 nan 8.150 nan 0.000 0.492 115 M N -0.038 119.549 119.600 -0.022 0.000 2.132 115 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 115 M C -0.744 175.535 176.300 -0.035 0.000 1.065 115 M CA 1.612 56.894 55.300 -0.030 0.000 1.122 115 M CB -1.425 31.157 32.600 -0.030 0.000 1.365 115 M HN 0.143 nan 8.290 nan 0.000 0.411 116 P HA -0.071 nan 4.420 nan 0.000 0.222 116 P C 0.752 178.035 177.300 -0.027 0.000 1.147 116 P CA 1.045 64.129 63.100 -0.027 0.000 0.790 116 P CB -0.248 31.440 31.700 -0.020 0.000 0.780 117 L N -3.012 118.196 121.223 -0.025 0.000 2.728 117 L HA 0.287 4.627 4.340 -0.000 0.000 0.235 117 L C 0.466 177.320 176.870 -0.026 0.000 1.197 117 L CA -0.192 54.636 54.840 -0.021 0.000 0.992 117 L CB -0.697 41.354 42.059 -0.014 0.000 1.263 117 L HN -0.125 nan 8.230 nan 0.000 0.484 118 L N -0.174 121.023 121.223 -0.043 0.000 2.332 118 L HA 0.608 4.948 4.340 -0.000 0.000 0.269 118 L C -2.067 174.747 176.870 -0.093 0.000 1.016 118 L CA -2.127 52.674 54.840 -0.065 0.000 0.809 118 L CB 0.857 42.867 42.059 -0.080 0.000 1.280 118 L HN -0.130 nan 8.230 nan 0.000 0.447 119 P HA -0.008 nan 4.420 nan 0.000 0.267 119 P C -0.236 176.941 177.300 -0.205 0.000 1.200 119 P CA -0.206 62.774 63.100 -0.200 0.000 0.772 119 P CB 0.394 31.826 31.700 -0.445 0.000 0.855 120 Q N 0.764 120.481 119.800 -0.137 0.000 2.291 120 Q HA -0.176 4.164 4.340 -0.000 0.000 0.205 120 Q C 1.015 176.930 176.000 -0.142 0.000 0.970 120 Q CA 1.403 57.140 55.803 -0.110 0.000 0.876 120 Q CB -0.377 28.328 28.738 -0.056 0.000 0.935 120 Q HN 0.370 nan 8.270 nan 0.000 0.455 121 E N 0.824 120.907 120.200 -0.196 0.000 2.106 121 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 121 E C 1.910 178.356 176.600 -0.257 0.000 0.984 121 E CA 1.053 57.341 56.400 -0.186 0.000 0.806 121 E CB -0.077 29.547 29.700 -0.126 0.000 0.750 121 E HN 0.174 nan 8.360 nan 0.000 0.458 122 V N 0.580 120.265 119.914 -0.381 0.000 2.719 122 V HA -0.213 3.907 4.120 -0.000 0.000 0.252 122 V C 1.861 177.845 176.094 -0.184 0.000 1.065 122 V CA 1.472 63.603 62.300 -0.281 0.000 1.086 122 V CB -0.153 31.479 31.823 -0.319 0.000 0.700 122 V HN 0.279 nan 8.190 nan 0.000 0.467 123 Q N -0.144 119.551 119.800 -0.176 0.000 2.046 123 Q HA -0.271 4.069 4.340 -0.000 0.000 0.200 123 Q C 2.263 178.173 176.000 -0.151 0.000 0.975 123 Q CA 2.046 57.769 55.803 -0.133 0.000 0.836 123 Q CB -0.212 28.460 28.738 -0.110 0.000 0.896 123 Q HN 0.841 nan 8.270 nan 0.000 0.428 124 Q N 0.239 119.916 119.800 -0.204 0.000 2.291 124 Q HA -0.088 4.252 4.340 -0.000 0.000 0.205 124 Q C 0.663 176.434 176.000 -0.382 0.000 0.970 124 Q CA 0.449 56.068 55.803 -0.307 0.000 0.876 124 Q CB 0.073 28.561 28.738 -0.417 0.000 0.935 124 Q HN 0.117 nan 8.270 nan 0.000 0.455 125 Q N 1.082 120.715 119.800 -0.279 0.000 2.407 125 Q HA 0.364 4.704 4.340 -0.000 0.000 0.214 125 Q C -0.308 175.627 176.000 -0.108 0.000 1.043 125 Q CA 0.461 56.154 55.803 -0.183 0.000 0.983 125 Q CB 0.843 29.527 28.738 -0.089 0.000 1.211 125 Q HN 0.387 nan 8.270 nan 0.000 0.564 126 G N 0.354 109.122 108.800 -0.053 0.000 2.428 126 G HA2 0.381 4.341 3.960 -0.000 0.000 0.293 126 G HA3 0.381 4.341 3.960 -0.000 0.000 0.293 126 G C -0.908 173.976 174.900 -0.027 0.000 1.059 126 G CA -0.352 44.728 45.100 -0.033 0.000 1.194 126 G HN 0.328 nan 8.290 nan 0.000 0.435 127 V N 2.100 121.994 119.914 -0.032 0.000 2.394 127 V HA 0.631 4.751 4.120 -0.000 0.000 0.282 127 V C 0.324 176.411 176.094 -0.013 0.000 1.031 127 V CA -0.517 61.769 62.300 -0.022 0.000 0.881 127 V CB 1.376 33.181 31.823 -0.030 0.000 0.982 127 V HN 0.617 nan 8.190 nan 0.000 0.451 128 S N 2.934 118.632 115.700 -0.003 0.000 2.548 128 S HA 0.644 5.114 4.470 -0.000 0.000 0.276 128 S C -0.761 173.846 174.600 0.012 0.000 1.129 128 S CA -0.483 57.719 58.200 0.003 0.000 0.931 128 S CB 2.087 65.289 63.200 0.004 0.000 1.068 128 S HN 0.460 nan 8.310 nan 0.000 0.480 129 V N 3.900 123.822 119.914 0.015 0.000 2.305 129 V HA 0.460 4.580 4.120 -0.000 0.000 0.275 129 V C -0.451 175.657 176.094 0.024 0.000 1.020 129 V CA -0.493 61.822 62.300 0.024 0.000 0.811 129 V CB 0.899 32.737 31.823 0.024 0.000 1.031 129 V HN 0.828 nan 8.190 nan 0.000 0.439 130 E N 2.678 122.896 120.200 0.031 0.000 2.277 130 E HA 0.578 4.928 4.350 -0.000 0.000 0.266 130 E C -0.959 175.663 176.600 0.037 0.000 0.901 130 E CA -1.133 55.285 56.400 0.030 0.000 0.782 130 E CB 2.377 32.096 29.700 0.032 0.000 1.228 130 E HN 0.441 nan 8.360 nan 0.000 0.424 131 K N 1.002 121.421 120.400 0.031 0.000 2.322 131 K HA 0.281 4.601 4.320 -0.000 0.000 0.283 131 K C -0.352 176.275 176.600 0.046 0.000 1.042 131 K CA -0.080 56.227 56.287 0.032 0.000 0.958 131 K CB 1.126 33.636 32.500 0.017 0.000 0.984 131 K HN 0.244 nan 8.250 nan 0.000 0.473 132 S N 1.277 117.009 115.700 0.054 0.000 2.568 132 S HA 0.547 5.017 4.470 -0.000 0.000 0.302 132 S C -0.858 173.777 174.600 0.058 0.000 1.082 132 S CA -0.662 57.574 58.200 0.061 0.000 1.009 132 S CB 1.052 64.294 63.200 0.070 0.000 1.069 132 S HN 0.407 nan 8.310 nan 0.000 0.500 133 S N 2.488 118.220 115.700 0.053 0.000 2.564 133 S HA 0.209 4.679 4.470 -0.000 0.000 0.141 133 S C -0.722 173.892 174.600 0.023 0.000 1.474 133 S CA -0.554 57.673 58.200 0.045 0.000 1.236 133 S CB 0.741 63.972 63.200 0.051 0.000 1.481 133 S HN 0.690 nan 8.310 nan 0.000 0.397 134 S N 3.749 119.468 115.700 0.031 0.000 3.211 134 S HA 0.161 4.631 4.470 -0.000 0.000 0.375 134 S C 0.276 174.835 174.600 -0.067 0.000 0.945 134 S CA 0.421 58.639 58.200 0.030 0.000 1.951 134 S CB -0.882 62.342 63.200 0.040 0.000 1.183 134 S HN 1.002 nan 8.310 nan 0.000 0.649 135 S N 1.298 116.934 115.700 -0.108 0.000 2.884 135 S HA 0.258 4.728 4.470 -0.000 0.000 0.274 135 S C -0.788 173.710 174.600 -0.170 0.000 0.782 135 S CA -1.118 56.993 58.200 -0.149 0.000 0.854 135 S CB -0.323 62.849 63.200 -0.047 0.000 1.076 135 S HN 0.286 nan 8.310 nan 0.000 0.525 136 F N 1.691 121.732 119.950 0.152 0.000 2.375 136 F HA 0.771 5.298 4.527 -0.000 0.000 0.317 136 F C 1.507 177.395 175.800 0.147 0.000 1.124 136 F CA -0.713 57.322 58.000 0.058 0.000 1.050 136 F CB 0.709 39.605 39.000 -0.173 0.000 1.314 136 F HN 0.700 nan 8.300 nan 0.000 0.511 137 L N -1.443 119.998 121.223 0.364 0.000 2.932 137 L HA 0.431 4.771 4.340 -0.000 0.000 0.168 137 L C -0.008 177.024 176.870 0.270 0.000 1.125 137 L CA -0.547 54.481 54.840 0.314 0.000 0.868 137 L CB -0.034 42.151 42.059 0.211 0.000 1.496 137 L HN 0.301 nan 8.230 nan 0.000 0.519 138 M N 2.579 122.286 119.600 0.178 0.000 2.113 138 M HA 0.431 4.911 4.480 -0.000 0.000 0.352 138 M C -1.259 175.050 176.300 0.015 0.000 1.170 138 M CA -0.329 55.041 55.300 0.117 0.000 1.053 138 M CB 2.116 34.782 32.600 0.109 0.000 1.601 138 M HN 0.039 nan 8.290 nan 0.000 0.459 139 V N 5.116 124.984 119.914 -0.077 0.000 2.320 139 V HA 0.201 4.321 4.120 -0.000 0.000 0.268 139 V C -0.160 175.713 176.094 -0.368 0.000 1.021 139 V CA -0.719 61.386 62.300 -0.325 0.000 0.813 139 V CB 1.191 32.658 31.823 -0.592 0.000 1.054 139 V HN 0.601 nan 8.190 nan 0.000 0.444 140 V N 3.910 123.654 119.914 -0.283 0.000 2.387 140 V HA 0.429 4.549 4.120 -0.000 0.000 0.260 140 V C 1.309 177.161 176.094 -0.404 0.000 1.054 140 V CA 0.102 62.202 62.300 -0.333 0.000 0.967 140 V CB 0.814 32.503 31.823 -0.223 0.000 1.036 140 V HN 0.795 nan 8.190 nan 0.000 0.481 141 G N 3.961 112.458 108.800 -0.505 0.000 2.569 141 G HA2 0.492 4.452 3.960 -0.000 0.000 0.249 141 G HA3 0.492 4.452 3.960 -0.000 0.000 0.249 141 G C -0.691 174.033 174.900 -0.293 0.000 1.216 141 G CA -0.261 44.617 45.100 -0.370 0.000 0.845 141 G HN 0.633 nan 8.290 nan 0.000 0.568 142 V N 2.191 122.015 119.914 -0.150 0.000 2.567 142 V HA 0.489 4.609 4.120 -0.000 0.000 0.298 142 V C 0.077 176.110 176.094 -0.102 0.000 1.047 142 V CA -0.533 61.679 62.300 -0.147 0.000 0.880 142 V CB 0.868 32.622 31.823 -0.115 0.000 1.009 142 V HN 0.865 nan 8.190 nan 0.000 0.429 143 I N 0.923 121.426 120.570 -0.112 0.000 3.294 143 I HA 0.764 4.934 4.170 -0.000 0.000 0.311 143 I C -0.780 175.307 176.117 -0.050 0.000 1.111 143 I CA -0.777 60.495 61.300 -0.046 0.000 0.976 143 I CB 2.441 40.452 38.000 0.019 0.000 1.260 143 I HN 0.502 nan 8.210 nan 0.000 0.474 144 N N -0.036 118.653 118.700 -0.019 0.000 2.240 144 N HA 0.459 5.199 4.740 -0.000 0.000 0.302 144 N C -0.385 175.128 175.510 0.006 0.000 1.106 144 N CA 0.090 53.126 53.050 -0.024 0.000 0.778 144 N CB 2.519 40.981 38.487 -0.041 0.000 1.431 144 N HN 0.948 nan 8.380 nan 0.000 0.479 145 T N -0.802 113.756 114.554 0.007 0.000 3.221 145 T HA 0.093 4.443 4.350 -0.000 0.000 0.250 145 T C 1.014 175.721 174.700 0.011 0.000 0.988 145 T CA 0.309 62.420 62.100 0.019 0.000 1.163 145 T CB -0.026 68.859 68.868 0.029 0.000 1.098 145 T HN 0.396 nan 8.240 nan 0.000 0.422 146 D N 2.216 122.620 120.400 0.007 0.000 2.196 146 D HA 0.212 4.851 4.640 -0.000 0.000 0.228 146 D C 1.453 177.754 176.300 0.000 0.000 1.028 146 D CA 0.960 54.964 54.000 0.006 0.000 0.924 146 D CB -0.593 40.211 40.800 0.008 0.000 1.025 146 D HN 0.478 nan 8.370 nan 0.000 0.438 147 G N 0.738 109.534 108.800 -0.006 0.000 2.741 147 G HA2 0.272 4.232 3.960 -0.000 0.000 0.301 147 G HA3 0.272 4.232 3.960 -0.000 0.000 0.301 147 G C -0.216 174.675 174.900 -0.015 0.000 0.834 147 G CA -0.211 44.884 45.100 -0.010 0.000 1.683 147 G HN 0.161 nan 8.290 nan 0.000 0.506 148 T N 4.469 119.019 114.554 -0.007 0.000 2.888 148 T HA 0.363 4.713 4.350 -0.000 0.000 0.301 148 T C 0.762 175.458 174.700 -0.007 0.000 1.001 148 T CA 0.272 62.368 62.100 -0.007 0.000 1.147 148 T CB 0.637 69.505 68.868 0.001 0.000 0.931 148 T HN 0.626 nan 8.240 nan 0.000 0.541 149 M N 1.052 120.644 119.600 -0.012 0.000 2.719 149 M HA 0.639 5.119 4.480 -0.000 0.000 0.291 149 M C 0.223 176.524 176.300 0.003 0.000 1.264 149 M CA -1.099 54.199 55.300 -0.004 0.000 0.811 149 M CB 1.531 34.119 32.600 -0.019 0.000 1.756 149 M HN 0.569 nan 8.290 nan 0.000 0.464 150 T N -0.740 113.826 114.554 0.019 0.000 2.771 150 T HA 0.293 4.643 4.350 -0.000 0.000 0.290 150 T C 0.268 174.975 174.700 0.012 0.000 1.005 150 T CA -0.456 61.660 62.100 0.026 0.000 0.944 150 T CB 0.391 69.293 68.868 0.056 0.000 1.147 150 T HN 0.815 nan 8.240 nan 0.000 0.534 151 Q N 0.244 120.056 119.800 0.019 0.000 3.207 151 Q HA 0.486 4.826 4.340 -0.000 0.000 0.335 151 Q C -0.093 175.916 176.000 0.013 0.000 1.374 151 Q CA -0.380 55.427 55.803 0.008 0.000 1.023 151 Q CB 0.348 29.090 28.738 0.007 0.000 1.576 151 Q HN 0.836 nan 8.270 nan 0.000 0.515 152 E N 0.288 120.482 120.200 -0.009 0.000 1.872 152 E HA -0.075 4.275 4.350 -0.000 0.000 0.230 152 E C 0.573 177.065 176.600 -0.179 0.000 1.070 152 E CA 0.411 56.792 56.400 -0.031 0.000 1.469 152 E CB -0.334 29.433 29.700 0.112 0.000 4.011 152 E HN 0.357 nan 8.360 nan 0.000 0.938 153 D N 0.711 121.064 120.400 -0.078 0.000 2.144 153 D HA -0.046 4.594 4.640 -0.000 0.000 0.199 153 D C 1.845 178.053 176.300 -0.154 0.000 0.984 153 D CA 1.339 55.265 54.000 -0.124 0.000 0.834 153 D CB 0.176 40.990 40.800 0.023 0.000 0.955 153 D HN 0.317 nan 8.370 nan 0.000 0.465 154 I N 0.745 121.253 120.570 -0.103 0.000 2.353 154 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 154 I C 2.284 178.358 176.117 -0.071 0.000 1.119 154 I CA 0.588 61.840 61.300 -0.080 0.000 1.417 154 I CB -0.019 37.943 38.000 -0.064 0.000 1.078 154 I HN -0.152 nan 8.210 nan 0.000 0.421 155 S N 0.191 115.828 115.700 -0.106 0.000 2.453 155 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 155 S C 1.568 176.075 174.600 -0.155 0.000 1.005 155 S CA 1.441 59.582 58.200 -0.099 0.000 0.949 155 S CB -0.304 62.842 63.200 -0.089 0.000 0.774 155 S HN 0.549 nan 8.310 nan 0.000 0.510 156 D N 0.418 120.646 120.400 -0.286 0.000 2.137 156 D HA -0.145 4.495 4.640 -0.000 0.000 0.202 156 D C 1.740 177.965 176.300 -0.125 0.000 0.970 156 D CA 0.779 54.584 54.000 -0.326 0.000 0.837 156 D CB -0.300 40.001 40.800 -0.832 0.000 0.981 156 D HN 0.366 nan 8.370 nan 0.000 0.475 157 Y N 0.311 120.492 120.300 -0.199 0.000 2.293 157 Y HA -0.061 4.489 4.550 -0.000 0.000 0.291 157 Y C 2.042 177.878 175.900 -0.107 0.000 1.137 157 Y CA 1.020 59.042 58.100 -0.129 0.000 1.202 157 Y CB -0.107 38.264 38.460 -0.148 0.000 0.990 157 Y HN -0.063 nan 8.280 nan 0.000 0.537 158 V N -0.345 119.530 119.914 -0.065 0.000 2.453 158 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 158 V C 2.369 178.399 176.094 -0.107 0.000 1.048 158 V CA 1.721 63.965 62.300 -0.093 0.000 1.049 158 V CB -1.126 30.674 31.823 -0.037 0.000 0.672 158 V HN 0.496 nan 8.190 nan 0.000 0.457 159 A N -0.809 121.954 122.820 -0.096 0.000 2.218 159 A HA 0.496 4.816 4.320 -0.000 0.000 0.209 159 A C 1.649 179.180 177.584 -0.089 0.000 1.168 159 A CA 0.926 52.917 52.037 -0.078 0.000 0.804 159 A CB -0.143 18.820 19.000 -0.062 0.000 0.834 159 A HN 0.552 nan 8.150 nan 0.000 0.482 160 A N -0.848 121.891 122.820 -0.136 0.000 2.676 160 A HA 0.534 4.854 4.320 -0.000 0.000 0.297 160 A C 0.461 177.917 177.584 -0.213 0.000 1.132 160 A CA 0.364 52.321 52.037 -0.133 0.000 0.972 160 A CB -0.209 18.740 19.000 -0.085 0.000 1.197 160 A HN 0.403 nan 8.150 nan 0.000 0.524 161 N N -1.224 117.339 118.700 -0.228 0.000 2.425 161 N HA -0.018 4.722 4.740 -0.000 0.000 0.317 161 N C 0.983 176.413 175.510 -0.132 0.000 0.662 161 N CA 1.055 53.959 53.050 -0.244 0.000 0.791 161 N CB -0.111 38.067 38.487 -0.515 0.000 2.252 161 N HN 0.199 nan 8.380 nan 0.000 1.331 162 M N -0.465 119.065 119.600 -0.116 0.000 2.308 162 M HA 0.376 4.856 4.480 -0.000 0.000 0.269 162 M C 1.489 177.776 176.300 -0.023 0.000 1.040 162 M CA 0.035 55.315 55.300 -0.033 0.000 1.024 162 M CB 0.802 33.412 32.600 0.017 0.000 1.465 162 M HN 0.020 nan 8.290 nan 0.000 0.517 163 K N 1.638 122.013 120.400 -0.041 0.000 2.098 163 K HA -0.054 4.266 4.320 -0.000 0.000 0.203 163 K C 0.878 177.469 176.600 -0.015 0.000 1.051 163 K CA 1.540 57.814 56.287 -0.023 0.000 0.957 163 K CB 0.285 32.767 32.500 -0.030 0.000 0.738 163 K HN 0.094 nan 8.250 nan 0.000 0.447 164 D N 0.473 120.857 120.400 -0.025 0.000 2.178 164 D HA -0.085 4.555 4.640 -0.000 0.000 0.202 164 D C 1.596 177.889 176.300 -0.011 0.000 0.974 164 D CA 1.160 55.149 54.000 -0.018 0.000 0.841 164 D CB 0.073 40.857 40.800 -0.027 0.000 0.953 164 D HN 0.346 nan 8.370 nan 0.000 0.478 165 A N -0.028 122.785 122.820 -0.011 0.000 1.930 165 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 165 A C 1.912 179.502 177.584 0.011 0.000 1.176 165 A CA 0.672 52.708 52.037 -0.001 0.000 0.632 165 A CB -0.273 18.727 19.000 -0.000 0.000 0.819 165 A HN 0.077 nan 8.150 nan 0.000 0.445 166 I N 0.770 121.349 120.570 0.015 0.000 2.233 166 I HA -0.153 4.017 4.170 -0.000 0.000 0.243 166 I C 2.818 178.952 176.117 0.029 0.000 1.093 166 I CA 1.786 63.102 61.300 0.027 0.000 1.380 166 I CB -0.669 37.349 38.000 0.030 0.000 1.067 166 I HN 0.454 nan 8.210 nan 0.000 0.413 167 S N 0.685 116.399 115.700 0.023 0.000 2.423 167 S HA -0.215 4.255 4.470 -0.000 0.000 0.231 167 S C 2.176 176.789 174.600 0.022 0.000 1.014 167 S CA 1.026 59.242 58.200 0.026 0.000 0.965 167 S CB -0.542 62.669 63.200 0.020 0.000 0.785 167 S HN 0.525 nan 8.310 nan 0.000 0.495 168 R N 0.927 121.436 120.500 0.015 0.000 2.161 168 R HA 0.098 4.438 4.340 -0.000 0.000 0.213 168 R C 0.741 177.050 176.300 0.015 0.000 1.055 168 R CA 0.888 56.995 56.100 0.012 0.000 0.996 168 R CB -0.509 29.794 30.300 0.005 0.000 0.901 168 R HN 0.353 nan 8.270 nan 0.000 0.456 169 T N 0.807 115.372 114.554 0.019 0.000 2.913 169 T HA 0.022 4.372 4.350 -0.000 0.000 0.297 169 T C 0.105 174.820 174.700 0.025 0.000 1.029 169 T CA 0.720 62.832 62.100 0.021 0.000 1.104 169 T CB 0.880 69.762 68.868 0.024 0.000 0.964 169 T HN 0.576 nan 8.240 nan 0.000 0.532 170 S N 2.068 117.782 115.700 0.022 0.000 3.367 170 S HA -0.168 4.302 4.470 -0.000 0.000 0.375 170 S C 0.881 175.497 174.600 0.028 0.000 0.962 170 S CA 0.868 59.083 58.200 0.024 0.000 1.229 170 S CB -2.459 60.758 63.200 0.028 0.000 0.905 170 S HN 2.281 nan 8.310 nan 0.000 0.482 171 G N -0.784 108.030 108.800 0.024 0.000 2.354 171 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.278 171 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.278 171 G C -0.074 174.847 174.900 0.035 0.000 0.953 171 G CA -0.186 44.929 45.100 0.025 0.000 1.346 171 G HN 1.549 nan 8.290 nan 0.000 0.467 172 V N 1.594 121.531 119.914 0.039 0.000 2.546 172 V HA 0.605 4.725 4.120 -0.000 0.000 0.284 172 V C 1.869 177.992 176.094 0.049 0.000 1.050 172 V CA 0.612 62.944 62.300 0.052 0.000 0.981 172 V CB 1.308 33.164 31.823 0.056 0.000 0.990 172 V HN 0.719 nan 8.190 nan 0.000 0.474 173 G N 3.199 112.035 108.800 0.060 0.000 2.556 173 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.215 173 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.215 173 G C 0.233 175.166 174.900 0.055 0.000 1.258 173 G CA 0.939 46.072 45.100 0.055 0.000 0.811 173 G HN 0.831 nan 8.290 nan 0.000 0.557 174 D N -1.228 119.216 120.400 0.074 0.000 2.977 174 D HA 0.330 4.970 4.640 -0.000 0.000 0.220 174 D C -1.406 174.950 176.300 0.094 0.000 1.267 174 D CA -0.555 53.486 54.000 0.068 0.000 0.884 174 D CB 2.006 42.841 40.800 0.058 0.000 1.667 174 D HN 0.056 nan 8.370 nan 0.000 0.536 175 V N 1.265 121.218 119.914 0.065 0.000 2.481 175 V HA 0.291 4.411 4.120 -0.000 0.000 0.286 175 V C -0.053 176.055 176.094 0.023 0.000 1.042 175 V CA -0.420 61.920 62.300 0.067 0.000 0.928 175 V CB 1.398 33.246 31.823 0.042 0.000 0.986 175 V HN 0.578 nan 8.190 nan 0.000 0.462 176 Q N 3.970 123.778 119.800 0.015 0.000 2.368 176 Q HA 0.407 4.747 4.340 -0.000 0.000 0.263 176 Q C -0.947 174.930 176.000 -0.205 0.000 1.009 176 Q CA -0.166 55.542 55.803 -0.158 0.000 0.818 176 Q CB 1.376 29.968 28.738 -0.244 0.000 1.239 176 Q HN 0.742 nan 8.270 nan 0.000 0.464 177 L N 5.250 126.358 121.223 -0.191 0.000 2.361 177 L HA 0.289 4.629 4.340 -0.000 0.000 0.278 177 L C -0.870 175.883 176.870 -0.196 0.000 1.113 177 L CA -0.090 54.690 54.840 -0.100 0.000 0.849 177 L CB 0.154 42.165 42.059 -0.079 0.000 1.155 177 L HN 0.765 nan 8.230 nan 0.000 0.452 178 F N 5.263 125.191 119.950 -0.036 0.000 2.626 178 F HA 0.424 4.951 4.527 -0.000 0.000 0.353 178 F C 1.013 176.809 175.800 -0.007 0.000 1.230 178 F CA 0.506 58.513 58.000 0.013 0.000 1.298 178 F CB 0.318 39.411 39.000 0.155 0.000 1.670 178 F HN 0.696 nan 8.300 nan 0.000 0.633 179 G N -0.148 108.663 108.800 0.019 0.000 2.480 179 G HA2 0.307 4.267 3.960 -0.000 0.000 0.109 179 G HA3 0.307 4.267 3.960 -0.000 0.000 0.109 179 G C -1.167 173.676 174.900 -0.095 0.000 1.172 179 G CA -0.383 44.704 45.100 -0.023 0.000 1.091 179 G HN 0.341 nan 8.290 nan 0.000 0.464 180 S N -0.874 114.759 115.700 -0.113 0.000 2.543 180 S HA 0.532 5.002 4.470 -0.000 0.000 0.274 180 S C -0.806 173.726 174.600 -0.114 0.000 1.149 180 S CA -0.032 58.091 58.200 -0.128 0.000 0.866 180 S CB 1.634 64.718 63.200 -0.193 0.000 1.111 180 S HN 0.917 nan 8.310 nan 0.000 0.457 181 Q N 2.294 122.054 119.800 -0.067 0.000 2.394 181 Q HA 0.288 4.628 4.340 -0.000 0.000 0.248 181 Q C -0.968 175.070 176.000 0.063 0.000 0.992 181 Q CA -0.133 55.652 55.803 -0.030 0.000 0.888 181 Q CB 0.326 29.069 28.738 0.009 0.000 1.257 181 Q HN 0.650 nan 8.270 nan 0.000 0.462 182 Y N 0.836 121.148 120.300 0.020 0.000 2.385 182 Y HA 0.378 4.928 4.550 -0.000 0.000 0.346 182 Y C 0.159 176.120 175.900 0.103 0.000 1.270 182 Y CA -0.008 58.121 58.100 0.049 0.000 1.472 182 Y CB 1.027 39.531 38.460 0.073 0.000 1.354 182 Y HN 0.721 nan 8.280 nan 0.000 0.611 183 A N 2.428 125.413 122.820 0.274 0.000 2.582 183 A HA 0.438 4.758 4.320 -0.000 0.000 0.297 183 A C -1.193 176.338 177.584 -0.089 0.000 1.059 183 A CA -0.956 51.203 52.037 0.203 0.000 0.705 183 A CB 0.779 19.897 19.000 0.198 0.000 1.279 183 A HN 0.629 nan 8.150 nan 0.000 0.404 184 M N 1.942 121.266 119.600 -0.461 0.000 2.760 184 M HA 0.267 4.747 4.480 -0.000 0.000 0.314 184 M C 0.204 176.123 176.300 -0.635 0.000 1.582 184 M CA 0.443 55.204 55.300 -0.899 0.000 1.484 184 M CB -0.913 30.524 32.600 -1.937 0.000 1.621 184 M HN 0.545 nan 8.290 nan 0.000 0.470 185 R N 4.311 124.523 120.500 -0.481 0.000 2.297 185 R HA 0.662 5.001 4.340 -0.000 0.000 0.308 185 R C -1.222 174.598 176.300 -0.800 0.000 1.029 185 R CA -0.034 55.723 56.100 -0.572 0.000 0.929 185 R CB 0.557 30.602 30.300 -0.425 0.000 1.046 185 R HN 0.744 nan 8.270 nan 0.000 0.461 186 I N 3.149 123.179 120.570 -0.901 0.000 2.569 186 I HA 0.386 4.556 4.170 -0.000 0.000 0.296 186 I C -0.832 174.833 176.117 -0.752 0.000 1.028 186 I CA -0.732 60.160 61.300 -0.680 0.000 1.082 186 I CB 2.123 39.938 38.000 -0.308 0.000 1.264 186 I HN 0.568 nan 8.210 nan 0.000 0.429 187 W N 6.122 127.435 121.300 0.023 0.000 2.483 187 W HA 0.506 5.166 4.660 -0.000 0.000 0.291 187 W C -0.466 176.088 176.519 0.058 0.000 0.997 187 W CA -0.636 56.732 57.345 0.038 0.000 1.591 187 W CB 0.731 30.201 29.460 0.018 0.000 1.434 187 W HN 0.162 nan 8.180 nan 0.000 0.420 188 M N 3.094 122.844 119.600 0.249 0.000 2.356 188 M HA -0.015 4.465 4.480 -0.000 0.000 0.348 188 M C 0.624 176.997 176.300 0.123 0.000 1.595 188 M CA 0.699 56.118 55.300 0.199 0.000 1.095 188 M CB 0.109 32.861 32.600 0.252 0.000 1.963 188 M HN 0.271 nan 8.290 nan 0.000 0.459 189 N N 5.974 124.661 118.700 -0.021 0.000 2.430 189 N HA 0.177 4.916 4.740 -0.000 0.000 0.265 189 N C -1.812 173.405 175.510 -0.488 0.000 1.100 189 N CA -1.429 51.424 53.050 -0.328 0.000 0.961 189 N CB 1.413 39.790 38.487 -0.183 0.000 1.075 189 N HN 0.363 nan 8.380 nan 0.000 0.478 190 P HA -0.019 nan 4.420 nan 0.000 0.222 190 P C 0.564 177.573 177.300 -0.485 0.000 1.153 190 P CA 0.877 63.411 63.100 -0.944 0.000 0.798 190 P CB 0.578 31.209 31.700 -1.782 0.000 0.796 191 N N 0.236 118.637 118.700 -0.498 0.000 2.216 191 N HA -0.101 4.639 4.740 -0.000 0.000 0.183 191 N C 1.621 177.022 175.510 -0.181 0.000 1.017 191 N CA 1.007 53.911 53.050 -0.243 0.000 0.861 191 N CB -0.470 37.903 38.487 -0.190 0.000 0.986 191 N HN 0.217 nan 8.380 nan 0.000 0.428 192 E N 0.814 120.914 120.200 -0.166 0.000 2.208 192 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 192 E C 2.144 178.743 176.600 -0.001 0.000 0.988 192 E CA 0.114 56.466 56.400 -0.080 0.000 0.828 192 E CB -0.019 29.698 29.700 0.030 0.000 0.763 192 E HN 0.385 nan 8.360 nan 0.000 0.478 193 L N 1.014 122.241 121.223 0.008 0.000 2.027 193 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 193 L C 2.428 179.332 176.870 0.058 0.000 1.074 193 L CA 1.046 55.945 54.840 0.098 0.000 0.745 193 L CB -0.429 41.704 42.059 0.122 0.000 0.898 193 L HN 0.175 nan 8.230 nan 0.000 0.433 194 N N 0.296 118.988 118.700 -0.013 0.000 2.381 194 N HA -0.241 4.499 4.740 -0.000 0.000 0.182 194 N C 1.887 177.282 175.510 -0.192 0.000 1.025 194 N CA 0.721 53.712 53.050 -0.097 0.000 0.888 194 N CB 0.188 38.561 38.487 -0.190 0.000 0.965 194 N HN 0.217 nan 8.380 nan 0.000 0.438 195 K N -0.001 120.224 120.400 -0.291 0.000 2.057 195 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 195 K C 0.631 176.893 176.600 -0.563 0.000 1.049 195 K CA 1.399 57.370 56.287 -0.526 0.000 0.931 195 K CB -0.020 31.979 32.500 -0.835 0.000 0.714 195 K HN 0.165 nan 8.250 nan 0.000 0.440 196 F N 0.879 120.815 119.950 -0.023 0.000 2.639 196 F HA 0.248 4.775 4.527 -0.000 0.000 0.302 196 F C -0.633 175.165 175.800 -0.003 0.000 1.097 196 F CA -0.730 57.262 58.000 -0.012 0.000 1.294 196 F CB 0.285 39.282 39.000 -0.005 0.000 1.027 196 F HN -0.057 nan 8.300 nan 0.000 0.550 197 Q N 1.338 121.194 119.800 0.094 0.000 2.420 197 Q HA -0.115 4.225 4.340 -0.000 0.000 0.359 197 Q C -1.137 174.933 176.000 0.117 0.000 1.403 197 Q CA 0.515 56.365 55.803 0.078 0.000 0.982 197 Q CB -1.389 27.382 28.738 0.055 0.000 1.137 197 Q HN 0.505 nan 8.270 nan 0.000 0.317 198 L N -0.128 121.176 121.223 0.135 0.000 2.600 198 L HA 0.814 5.154 4.340 -0.000 0.000 0.257 198 L C -0.018 176.956 176.870 0.174 0.000 1.048 198 L CA -0.722 54.204 54.840 0.143 0.000 0.869 198 L CB 2.537 44.685 42.059 0.148 0.000 1.482 198 L HN 0.472 nan 8.230 nan 0.000 0.408 199 T N -3.672 110.981 114.554 0.165 0.000 2.887 199 T HA 0.440 4.790 4.350 -0.000 0.000 0.292 199 T C -2.520 172.282 174.700 0.169 0.000 1.087 199 T CA -1.744 60.476 62.100 0.200 0.000 1.009 199 T CB 1.932 70.909 68.868 0.182 0.000 1.203 199 T HN 0.244 nan 8.240 nan 0.000 0.518 200 P HA -0.011 nan 4.420 nan 0.000 0.221 200 P C 1.527 178.873 177.300 0.077 0.000 1.145 200 P CA 0.345 63.514 63.100 0.114 0.000 0.795 200 P CB -0.126 31.610 31.700 0.060 0.000 0.775 201 V N 0.267 120.230 119.914 0.081 0.000 2.427 201 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 201 V C 1.911 178.034 176.094 0.049 0.000 1.051 201 V CA 1.866 64.202 62.300 0.060 0.000 1.048 201 V CB -1.012 30.848 31.823 0.061 0.000 0.666 201 V HN 0.171 nan 8.190 nan 0.000 0.456 202 D N 0.032 120.468 120.400 0.060 0.000 2.224 202 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 202 D C 2.123 178.443 176.300 0.034 0.000 0.965 202 D CA 1.014 55.041 54.000 0.045 0.000 0.852 202 D CB 0.287 41.120 40.800 0.055 0.000 0.947 202 D HN 0.369 nan 8.370 nan 0.000 0.494 203 V N 1.315 121.256 119.914 0.045 0.000 2.379 203 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 203 V C 2.474 178.577 176.094 0.015 0.000 1.044 203 V CA 0.879 63.198 62.300 0.033 0.000 1.036 203 V CB -0.217 31.637 31.823 0.052 0.000 0.664 203 V HN 0.128 nan 8.190 nan 0.000 0.453 204 I N 0.293 120.874 120.570 0.017 0.000 2.394 204 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 204 I C 2.421 178.536 176.117 -0.004 0.000 1.136 204 I CA 1.526 62.828 61.300 0.003 0.000 1.425 204 I CB -0.492 37.514 38.000 0.010 0.000 1.079 204 I HN 0.301 nan 8.210 nan 0.000 0.425 205 T N 0.515 115.070 114.554 0.001 0.000 2.904 205 T HA -0.038 4.312 4.350 -0.000 0.000 0.267 205 T C 2.035 176.722 174.700 -0.021 0.000 1.059 205 T CA 1.201 63.298 62.100 -0.006 0.000 1.137 205 T CB -0.159 68.710 68.868 0.002 0.000 0.879 205 T HN 0.448 nan 8.240 nan 0.000 0.467 206 A N 1.041 123.846 122.820 -0.026 0.000 2.014 206 A HA 0.115 4.435 4.320 -0.000 0.000 0.218 206 A C 2.144 179.681 177.584 -0.078 0.000 1.163 206 A CA 0.840 52.847 52.037 -0.049 0.000 0.652 206 A CB -0.571 18.401 19.000 -0.047 0.000 0.808 206 A HN 0.548 nan 8.150 nan 0.000 0.449 207 I N -1.222 119.310 120.570 -0.064 0.000 2.852 207 I HA -0.040 4.130 4.170 -0.000 0.000 0.264 207 I C 0.669 176.747 176.117 -0.064 0.000 1.179 207 I CA 0.628 61.879 61.300 -0.082 0.000 1.480 207 I CB -0.048 37.943 38.000 -0.014 0.000 1.111 207 I HN 0.099 nan 8.210 nan 0.000 0.441 208 K N 1.745 122.120 120.400 -0.042 0.000 2.997 208 K HA 0.468 4.788 4.320 -0.000 0.000 0.249 208 K C 0.284 176.865 176.600 -0.031 0.000 1.284 208 K CA 0.075 56.345 56.287 -0.029 0.000 1.245 208 K CB 0.748 33.239 32.500 -0.015 0.000 1.670 208 K HN 0.271 nan 8.250 nan 0.000 0.385 209 A N -0.059 122.733 122.820 -0.047 0.000 1.889 209 A HA -0.055 4.265 4.320 -0.000 0.000 0.204 209 A C 1.391 178.938 177.584 -0.061 0.000 1.739 209 A CA -0.207 51.803 52.037 -0.046 0.000 1.589 209 A CB 0.099 19.073 19.000 -0.043 0.000 1.485 209 A HN 0.276 nan 8.150 nan 0.000 0.472 210 Q N -0.135 119.610 119.800 -0.092 0.000 2.123 210 Q HA 0.018 4.358 4.340 -0.000 0.000 0.196 210 Q C 0.413 176.330 176.000 -0.138 0.000 0.958 210 Q CA 1.104 56.837 55.803 -0.117 0.000 0.841 210 Q CB -0.026 28.620 28.738 -0.152 0.000 0.915 210 Q HN 0.513 nan 8.270 nan 0.000 0.455 211 N N 0.909 119.505 118.700 -0.173 0.000 2.968 211 N HA 0.294 5.034 4.740 -0.000 0.000 0.271 211 N C -1.729 173.754 175.510 -0.044 0.000 1.174 211 N CA -0.044 52.920 53.050 -0.144 0.000 1.096 211 N CB 0.258 38.613 38.487 -0.219 0.000 1.403 211 N HN 0.192 nan 8.380 nan 0.000 0.522 212 A N 2.031 124.833 122.820 -0.030 0.000 2.547 212 A HA 0.297 4.617 4.320 -0.000 0.000 0.298 212 A C -1.066 176.514 177.584 -0.006 0.000 1.062 212 A CA -0.819 51.213 52.037 -0.008 0.000 0.748 212 A CB 1.078 20.069 19.000 -0.015 0.000 1.288 212 A HN 0.400 nan 8.150 nan 0.000 0.396 213 Q N 1.250 121.052 119.800 0.005 0.000 2.279 213 Q HA 0.502 4.842 4.340 -0.000 0.000 0.256 213 Q C -0.603 175.397 176.000 -0.001 0.000 0.937 213 Q CA -0.258 55.546 55.803 0.002 0.000 0.933 213 Q CB 1.928 30.670 28.738 0.007 0.000 1.189 213 Q HN 0.563 nan 8.270 nan 0.000 0.417 214 V N 1.367 121.279 119.914 -0.004 0.000 2.581 214 V HA 0.459 4.579 4.120 -0.000 0.000 0.303 214 V C -0.118 175.974 176.094 -0.004 0.000 1.041 214 V CA -0.865 61.432 62.300 -0.005 0.000 0.907 214 V CB 1.699 33.518 31.823 -0.008 0.000 0.994 214 V HN 0.821 nan 8.190 nan 0.000 0.442 215 A N 3.615 126.433 122.820 -0.003 0.000 2.798 215 A HA 0.746 5.066 4.320 -0.000 0.000 0.316 215 A C 0.600 178.182 177.584 -0.004 0.000 1.506 215 A CA -0.018 52.017 52.037 -0.003 0.000 1.162 215 A CB -0.371 18.628 19.000 -0.002 0.000 1.138 215 A HN 1.202 nan 8.150 nan 0.000 0.532 216 A N 1.863 124.680 122.820 -0.004 0.000 2.313 216 A HA 0.662 4.982 4.320 -0.000 0.000 0.261 216 A C 1.198 178.780 177.584 -0.004 0.000 1.090 216 A CA 0.227 52.261 52.037 -0.004 0.000 0.807 216 A CB -0.043 18.954 19.000 -0.005 0.000 1.055 216 A HN 1.111 nan 8.150 nan 0.000 0.492 217 G N -0.698 108.100 108.800 -0.004 0.000 2.935 217 G HA2 0.476 4.436 3.960 -0.000 0.000 0.157 217 G HA3 0.476 4.436 3.960 -0.000 0.000 0.157 217 G C -0.152 174.746 174.900 -0.003 0.000 1.712 217 G CA 0.502 45.600 45.100 -0.003 0.000 1.071 217 G HN 1.197 nan 8.290 nan 0.000 0.539 218 Q N -1.401 118.397 119.800 -0.003 0.000 2.468 218 Q HA 0.426 4.766 4.340 -0.000 0.000 0.263 218 Q C -1.381 174.617 176.000 -0.003 0.000 0.979 218 Q CA -0.847 54.954 55.803 -0.003 0.000 0.932 218 Q CB 1.184 29.920 28.738 -0.003 0.000 1.462 218 Q HN 0.352 nan 8.270 nan 0.000 0.403 219 L N 2.009 123.230 121.223 -0.003 0.000 2.513 219 L HA 0.428 4.768 4.340 -0.000 0.000 0.272 219 L C 0.955 177.824 176.870 -0.002 0.000 1.187 219 L CA 1.084 55.922 54.840 -0.003 0.000 0.895 219 L CB 0.045 42.102 42.059 -0.003 0.000 1.147 219 L HN 1.051 nan 8.230 nan 0.000 0.483 220 G N 2.840 111.638 108.800 -0.002 0.000 2.502 220 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.273 220 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.273 220 G C 0.434 175.332 174.900 -0.002 0.000 1.021 220 G CA -0.159 44.940 45.100 -0.002 0.000 1.333 220 G HN 1.051 nan 8.290 nan 0.000 0.508 221 G N 0.348 109.147 108.800 -0.002 0.000 2.525 221 G HA2 0.475 4.435 3.960 -0.000 0.000 0.276 221 G HA3 0.475 4.435 3.960 -0.000 0.000 0.276 221 G C 1.318 176.217 174.900 -0.002 0.000 1.388 221 G CA 0.803 45.902 45.100 -0.002 0.000 1.050 221 G HN 0.673 nan 8.290 nan 0.000 0.520 222 T N 1.248 115.801 114.554 -0.002 0.000 2.708 222 T HA 0.007 4.357 4.350 -0.000 0.000 0.266 222 T C -1.246 173.453 174.700 -0.002 0.000 1.037 222 T CA 1.339 63.437 62.100 -0.002 0.000 1.146 222 T CB -0.514 68.353 68.868 -0.002 0.000 0.865 222 T HN 0.414 nan 8.240 nan 0.000 0.435 223 P HA 0.418 nan 4.420 nan 0.000 0.247 223 P C -2.604 174.695 177.300 -0.002 0.000 1.683 223 P CA -1.421 61.678 63.100 -0.002 0.000 1.143 223 P CB 0.969 32.668 31.700 -0.002 0.000 1.577 224 P HA 0.278 nan 4.420 nan 0.000 0.297 224 P C -0.550 176.749 177.300 -0.002 0.000 1.307 224 P CA -0.545 62.554 63.100 -0.002 0.000 0.773 224 P CB 0.803 32.502 31.700 -0.002 0.000 1.265 225 V N -1.412 118.501 119.914 -0.002 0.000 2.567 225 V HA 0.335 4.455 4.120 -0.000 0.000 0.289 225 V C 0.303 176.396 176.094 -0.001 0.000 1.049 225 V CA -1.016 61.283 62.300 -0.002 0.000 0.969 225 V CB 0.220 32.042 31.823 -0.002 0.000 0.995 225 V HN 0.338 nan 8.190 nan 0.000 0.471 226 K N 2.953 123.352 120.400 -0.001 0.000 2.382 226 K HA 0.504 4.824 4.320 -0.000 0.000 0.286 226 K C 0.946 177.545 176.600 -0.001 0.000 1.062 226 K CA 0.886 57.172 56.287 -0.001 0.000 1.000 226 K CB 0.129 32.629 32.500 -0.001 0.000 0.954 226 K HN 1.244 nan 8.250 nan 0.000 0.470 227 G N 1.900 110.699 108.800 -0.001 0.000 2.198 227 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.156 227 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.156 227 G C -0.279 174.621 174.900 -0.001 0.000 1.012 227 G CA -0.664 44.436 45.100 -0.001 0.000 0.692 227 G HN 0.499 nan 8.290 nan 0.000 0.492 228 Q N 0.158 119.958 119.800 -0.001 0.000 2.332 228 Q HA 0.650 4.990 4.340 -0.000 0.000 0.263 228 Q C 1.394 177.394 176.000 -0.001 0.000 0.979 228 Q CA 0.338 56.141 55.803 -0.001 0.000 0.885 228 Q CB 1.133 29.870 28.738 -0.001 0.000 1.218 228 Q HN 0.278 nan 8.270 nan 0.000 0.405 229 Q N 2.188 121.988 119.800 -0.001 0.000 2.226 229 Q HA 0.280 4.620 4.340 -0.000 0.000 0.199 229 Q C -0.137 175.863 176.000 -0.001 0.000 0.945 229 Q CA 0.760 56.563 55.803 -0.001 0.000 0.861 229 Q CB 0.161 28.899 28.738 -0.001 0.000 0.953 229 Q HN 0.738 nan 8.270 nan 0.000 0.490 230 L N -1.025 120.197 121.223 -0.001 0.000 2.358 230 L HA 0.580 4.920 4.340 -0.000 0.000 0.268 230 L C -0.705 176.164 176.870 -0.002 0.000 1.032 230 L CA -0.686 54.153 54.840 -0.001 0.000 0.805 230 L CB 1.635 43.693 42.059 -0.001 0.000 1.253 230 L HN 0.060 nan 8.230 nan 0.000 0.452 231 N N 1.959 120.658 118.700 -0.002 0.000 2.812 231 N HA 0.535 5.275 4.740 -0.000 0.000 0.262 231 N C -1.872 173.637 175.510 -0.002 0.000 1.241 231 N CA -0.198 52.851 53.050 -0.002 0.000 0.854 231 N CB 1.770 40.256 38.487 -0.002 0.000 1.506 231 N HN 1.029 nan 8.380 nan 0.000 0.576 232 A N 1.557 124.376 122.820 -0.002 0.000 2.479 232 A HA 0.725 5.045 4.320 -0.000 0.000 0.296 232 A C -0.396 177.186 177.584 -0.002 0.000 1.121 232 A CA -0.587 51.449 52.037 -0.002 0.000 0.743 232 A CB 1.408 20.407 19.000 -0.002 0.000 1.323 232 A HN 0.562 nan 8.150 nan 0.000 0.415 233 S N 0.441 116.140 115.700 -0.003 0.000 2.499 233 S HA 0.651 5.121 4.470 -0.000 0.000 0.279 233 S C -0.304 174.294 174.600 -0.003 0.000 1.219 233 S CA -0.383 57.815 58.200 -0.003 0.000 1.062 233 S CB 0.236 63.434 63.200 -0.003 0.000 0.978 233 S HN 0.493 nan 8.310 nan 0.000 0.489 234 I N 2.796 123.364 120.570 -0.003 0.000 2.441 234 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 234 I C -0.483 175.631 176.117 -0.004 0.000 1.049 234 I CA -0.532 60.766 61.300 -0.004 0.000 1.381 234 I CB 0.715 38.713 38.000 -0.004 0.000 1.409 234 I HN 0.543 nan 8.210 nan 0.000 0.523 235 I N 5.283 125.850 120.570 -0.004 0.000 2.412 235 I HA 0.506 4.676 4.170 -0.000 0.000 0.296 235 I C 0.501 176.615 176.117 -0.006 0.000 0.987 235 I CA 0.317 61.614 61.300 -0.005 0.000 1.180 235 I CB 1.707 39.704 38.000 -0.004 0.000 1.340 235 I HN 0.751 nan 8.210 nan 0.000 0.455 236 A N 4.883 127.699 122.820 -0.007 0.000 2.611 236 A HA 0.478 4.798 4.320 -0.000 0.000 0.208 236 A C -0.057 177.520 177.584 -0.011 0.000 1.958 236 A CA -0.205 51.826 52.037 -0.009 0.000 1.718 236 A CB 0.110 19.104 19.000 -0.009 0.000 1.357 236 A HN 0.563 nan 8.150 nan 0.000 0.428 237 Q N 0.763 120.556 119.800 -0.013 0.000 2.288 237 Q HA 0.448 4.788 4.340 -0.000 0.000 0.254 237 Q C -1.103 174.890 176.000 -0.012 0.000 0.932 237 Q CA 0.229 56.022 55.803 -0.017 0.000 0.902 237 Q CB 1.044 29.769 28.738 -0.022 0.000 1.203 237 Q HN 0.488 nan 8.270 nan 0.000 0.415 238 T N 2.386 116.933 114.554 -0.012 0.000 2.856 238 T HA 0.329 4.679 4.350 -0.000 0.000 0.283 238 T C -0.123 174.579 174.700 0.003 0.000 1.008 238 T CA -0.711 61.388 62.100 -0.002 0.000 0.997 238 T CB 1.029 69.898 68.868 0.001 0.000 0.992 238 T HN 0.372 nan 8.240 nan 0.000 0.454 239 R N 2.072 122.585 120.500 0.023 0.000 2.570 239 R HA 0.190 4.530 4.340 -0.000 0.000 0.277 239 R C 0.033 176.388 176.300 0.091 0.000 1.039 239 R CA -0.621 55.513 56.100 0.058 0.000 1.065 239 R CB 0.223 30.572 30.300 0.081 0.000 0.964 239 R HN 0.331 nan 8.270 nan 0.000 0.428 240 L N 2.311 123.603 121.223 0.114 0.000 2.467 240 L HA 0.001 4.341 4.340 -0.000 0.000 0.270 240 L C 1.379 178.459 176.870 0.349 0.000 1.205 240 L CA 0.912 55.847 54.840 0.157 0.000 0.828 240 L CB 0.898 42.956 42.059 -0.001 0.000 1.101 240 L HN 0.796 nan 8.230 nan 0.000 0.479 241 T N -0.185 114.531 114.554 0.271 0.000 3.156 241 T HA 0.063 4.413 4.350 -0.000 0.000 0.236 241 T C 0.881 175.764 174.700 0.306 0.000 0.978 241 T CA 0.467 62.715 62.100 0.246 0.000 1.240 241 T CB 0.265 69.206 68.868 0.122 0.000 0.951 241 T HN 0.725 nan 8.240 nan 0.000 0.420 242 S N 0.464 116.298 115.700 0.223 0.000 2.745 242 S HA 0.373 4.842 4.470 -0.000 0.000 0.292 242 S C 1.301 175.993 174.600 0.154 0.000 1.133 242 S CA -0.154 58.144 58.200 0.163 0.000 0.998 242 S CB 1.106 64.366 63.200 0.101 0.000 1.087 242 S HN 0.166 nan 8.310 nan 0.000 0.551 243 T N -0.706 113.886 114.554 0.063 0.000 2.915 243 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 243 T C 1.500 176.241 174.700 0.069 0.000 1.071 243 T CA 1.848 63.958 62.100 0.016 0.000 1.132 243 T CB -0.700 68.147 68.868 -0.035 0.000 0.878 243 T HN 0.768 nan 8.240 nan 0.000 0.479 244 E N 0.166 120.408 120.200 0.069 0.000 2.106 244 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 244 E C 2.081 178.720 176.600 0.066 0.000 0.984 244 E CA 1.148 57.583 56.400 0.057 0.000 0.806 244 E CB -0.003 29.722 29.700 0.042 0.000 0.750 244 E HN 0.638 nan 8.360 nan 0.000 0.458 245 E N -0.495 119.759 120.200 0.090 0.000 2.208 245 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 245 E C 1.777 178.385 176.600 0.013 0.000 0.988 245 E CA 0.558 56.987 56.400 0.049 0.000 0.828 245 E CB -0.096 29.636 29.700 0.054 0.000 0.763 245 E HN 0.326 nan 8.360 nan 0.000 0.478 246 F N 0.934 120.851 119.950 -0.055 0.000 2.325 246 F HA 0.006 4.533 4.527 -0.000 0.000 0.299 246 F C 2.415 178.171 175.800 -0.074 0.000 1.090 246 F CA 1.160 59.108 58.000 -0.087 0.000 1.392 246 F CB -0.235 38.677 39.000 -0.146 0.000 1.053 246 F HN 0.033 nan 8.300 nan 0.000 0.521 247 G N -0.621 108.242 108.800 0.106 0.000 2.484 247 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 247 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 247 G C 1.321 176.221 174.900 -0.001 0.000 1.130 247 G CA 0.232 45.358 45.100 0.044 0.000 0.784 247 G HN 0.238 nan 8.290 nan 0.000 0.543 248 K N 0.340 120.728 120.400 -0.021 0.000 2.570 248 K HA 0.301 4.621 4.320 -0.000 0.000 0.210 248 K C -0.216 176.338 176.600 -0.076 0.000 1.048 248 K CA -0.280 55.981 56.287 -0.044 0.000 1.167 248 K CB 0.571 33.050 32.500 -0.036 0.000 0.892 248 K HN 0.275 nan 8.250 nan 0.000 0.480 249 I N 2.119 122.632 120.570 -0.094 0.000 2.396 249 I HA 0.030 4.200 4.170 -0.000 0.000 0.289 249 I C 0.015 176.077 176.117 -0.092 0.000 1.056 249 I CA -0.805 60.423 61.300 -0.121 0.000 1.365 249 I CB 0.563 38.464 38.000 -0.165 0.000 1.407 249 I HN -0.023 nan 8.210 nan 0.000 0.509 250 L N 7.800 128.971 121.223 -0.087 0.000 2.325 250 L HA 0.178 4.518 4.340 -0.000 0.000 0.284 250 L C 0.489 177.316 176.870 -0.072 0.000 1.089 250 L CA 0.584 55.377 54.840 -0.079 0.000 0.836 250 L CB 0.554 42.571 42.059 -0.069 0.000 1.184 250 L HN 0.607 nan 8.230 nan 0.000 0.444 251 L N 3.382 124.559 121.223 -0.077 0.000 2.121 251 L HA 0.194 4.534 4.340 -0.000 0.000 0.200 251 L C 0.936 177.774 176.870 -0.053 0.000 1.077 251 L CA 0.773 55.579 54.840 -0.058 0.000 0.766 251 L CB -0.145 41.881 42.059 -0.055 0.000 0.931 251 L HN 0.539 nan 8.230 nan 0.000 0.452 252 K N -0.699 119.652 120.400 -0.081 0.000 2.433 252 K HA 0.581 4.901 4.320 -0.000 0.000 0.252 252 K C -1.603 174.951 176.600 -0.076 0.000 1.015 252 K CA -0.680 55.569 56.287 -0.063 0.000 0.860 252 K CB 2.531 34.999 32.500 -0.053 0.000 1.359 252 K HN -0.210 nan 8.250 nan 0.000 0.452 253 V N 0.360 120.247 119.914 -0.046 0.000 2.443 253 V HA 0.335 4.455 4.120 -0.000 0.000 0.272 253 V C -0.834 175.250 176.094 -0.017 0.000 1.002 253 V CA -1.087 61.189 62.300 -0.041 0.000 0.840 253 V CB 0.664 32.468 31.823 -0.032 0.000 1.042 253 V HN 0.702 nan 8.190 nan 0.000 0.446 254 N N 3.382 122.076 118.700 -0.009 0.000 2.468 254 N HA 0.221 4.961 4.740 -0.000 0.000 0.265 254 N C 1.283 176.804 175.510 0.019 0.000 1.199 254 N CA 0.170 53.235 53.050 0.025 0.000 0.928 254 N CB 1.043 39.572 38.487 0.070 0.000 1.059 254 N HN 0.858 nan 8.380 nan 0.000 0.467 255 Q N 1.782 121.594 119.800 0.019 0.000 2.629 255 Q HA -0.431 3.909 4.340 -0.000 0.000 0.236 255 Q C 0.682 176.688 176.000 0.010 0.000 1.166 255 Q CA 2.485 58.297 55.803 0.014 0.000 1.024 255 Q CB -0.854 27.894 28.738 0.017 0.000 0.949 255 Q HN 0.832 nan 8.270 nan 0.000 0.570 256 D N 0.421 120.829 120.400 0.014 0.000 2.338 256 D HA 0.084 4.724 4.640 -0.000 0.000 0.239 256 D C 1.138 177.441 176.300 0.005 0.000 1.095 256 D CA 0.775 54.781 54.000 0.010 0.000 0.888 256 D CB -0.111 40.698 40.800 0.015 0.000 0.899 256 D HN 0.788 nan 8.370 nan 0.000 0.525 257 G N 0.934 109.735 108.800 0.001 0.000 2.157 257 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 257 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 257 G C 0.339 175.232 174.900 -0.012 0.000 0.979 257 G CA 0.340 45.437 45.100 -0.007 0.000 0.650 257 G HN 0.734 nan 8.290 nan 0.000 0.529 258 S N -0.102 115.593 115.700 -0.008 0.000 2.565 258 S HA 0.681 5.151 4.470 -0.000 0.000 0.276 258 S C 0.283 174.850 174.600 -0.054 0.000 1.326 258 S CA -0.413 57.776 58.200 -0.019 0.000 1.045 258 S CB 1.463 64.668 63.200 0.008 0.000 0.918 258 S HN 0.496 nan 8.310 nan 0.000 0.505 259 R N 1.750 122.202 120.500 -0.080 0.000 2.295 259 R HA 0.442 4.782 4.340 -0.000 0.000 0.324 259 R C -1.244 174.929 176.300 -0.211 0.000 0.968 259 R CA -0.714 55.315 56.100 -0.118 0.000 0.837 259 R CB 1.577 31.826 30.300 -0.086 0.000 1.133 259 R HN 0.541 nan 8.270 nan 0.000 0.450 260 V N 6.131 125.864 119.914 -0.303 0.000 2.353 260 V HA 0.218 4.338 4.120 -0.000 0.000 0.264 260 V C 0.531 176.452 176.094 -0.288 0.000 1.049 260 V CA -0.318 61.679 62.300 -0.504 0.000 0.896 260 V CB 0.416 31.795 31.823 -0.741 0.000 1.025 260 V HN 0.568 nan 8.190 nan 0.000 0.475 261 L N 3.869 124.959 121.223 -0.221 0.000 2.431 261 L HA 0.383 4.723 4.340 -0.000 0.000 0.260 261 L C 1.283 178.099 176.870 -0.091 0.000 1.098 261 L CA -0.713 54.052 54.840 -0.125 0.000 0.800 261 L CB 0.690 42.699 42.059 -0.084 0.000 1.210 261 L HN 0.452 nan 8.230 nan 0.000 0.465 262 L N 1.053 122.246 121.223 -0.050 0.000 2.217 262 L HA -0.059 4.281 4.340 -0.000 0.000 0.211 262 L C 2.506 179.384 176.870 0.013 0.000 1.107 262 L CA 1.474 56.306 54.840 -0.012 0.000 0.783 262 L CB -0.803 41.256 42.059 0.001 0.000 0.919 262 L HN 0.667 nan 8.230 nan 0.000 0.442 263 R N -0.575 119.930 120.500 0.009 0.000 2.119 263 R HA -0.102 4.238 4.340 -0.000 0.000 0.222 263 R C 1.301 177.622 176.300 0.034 0.000 1.088 263 R CA 1.472 57.588 56.100 0.027 0.000 0.984 263 R CB -0.633 29.681 30.300 0.023 0.000 0.884 263 R HN 0.362 nan 8.270 nan 0.000 0.447 264 D N 0.984 121.392 120.400 0.013 0.000 2.219 264 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 264 D C 1.801 178.164 176.300 0.105 0.000 0.970 264 D CA 1.590 55.613 54.000 0.038 0.000 0.851 264 D CB 0.250 41.032 40.800 -0.030 0.000 0.943 264 D HN 0.329 nan 8.370 nan 0.000 0.488 265 V N -2.519 117.449 119.914 0.089 0.000 3.471 265 V HA 0.562 4.682 4.120 -0.000 0.000 0.258 265 V C 0.517 176.666 176.094 0.092 0.000 1.192 265 V CA 0.457 62.837 62.300 0.133 0.000 1.116 265 V CB 0.119 32.026 31.823 0.141 0.000 0.792 265 V HN 0.068 nan 8.190 nan 0.000 0.459 266 A N -0.049 122.821 122.820 0.083 0.000 2.574 266 A HA 0.592 4.912 4.320 -0.000 0.000 0.297 266 A C -0.618 177.031 177.584 0.107 0.000 1.062 266 A CA -0.785 51.311 52.037 0.099 0.000 0.686 266 A CB 1.439 20.492 19.000 0.088 0.000 1.285 266 A HN 0.243 nan 8.150 nan 0.000 0.403 267 K N 1.449 121.950 120.400 0.169 0.000 2.326 267 K HA 0.521 4.841 4.320 -0.000 0.000 0.275 267 K C -1.095 175.599 176.600 0.156 0.000 1.018 267 K CA 0.043 56.447 56.287 0.194 0.000 0.962 267 K CB 0.258 32.930 32.500 0.286 0.000 0.953 267 K HN 0.584 nan 8.250 nan 0.000 0.475 268 I N 4.909 125.533 120.570 0.090 0.000 2.466 268 I HA 0.159 4.329 4.170 -0.000 0.000 0.279 268 I C -0.440 175.679 176.117 0.002 0.000 1.033 268 I CA -0.539 60.750 61.300 -0.018 0.000 1.123 268 I CB 1.504 39.484 38.000 -0.033 0.000 1.237 268 I HN 0.690 nan 8.210 nan 0.000 0.460 269 E N 6.588 126.794 120.200 0.010 0.000 2.288 269 E HA 0.402 4.752 4.350 -0.000 0.000 0.268 269 E C -1.494 175.059 176.600 -0.079 0.000 0.885 269 E CA -1.007 55.411 56.400 0.031 0.000 0.767 269 E CB 2.956 32.763 29.700 0.179 0.000 1.220 269 E HN 0.376 nan 8.360 nan 0.000 0.427 270 L N 3.483 124.610 121.223 -0.160 0.000 2.356 270 L HA 0.484 4.824 4.340 -0.000 0.000 0.282 270 L C -0.233 176.390 176.870 -0.412 0.000 1.132 270 L CA 0.404 55.039 54.840 -0.341 0.000 0.923 270 L CB 0.105 41.898 42.059 -0.443 0.000 1.278 270 L HN 0.720 nan 8.230 nan 0.000 0.436 271 G N 2.350 111.103 108.800 -0.077 0.000 3.013 271 G HA2 0.621 4.581 3.960 -0.000 0.000 0.278 271 G HA3 0.621 4.581 3.960 -0.000 0.000 0.278 271 G C -0.272 174.811 174.900 0.305 0.000 1.353 271 G CA -0.462 44.791 45.100 0.256 0.000 1.043 271 G HN 0.748 nan 8.290 nan 0.000 0.523 272 G N -1.381 107.514 108.800 0.158 0.000 2.636 272 G HA2 0.369 4.329 3.960 -0.000 0.000 0.246 272 G HA3 0.369 4.329 3.960 -0.000 0.000 0.246 272 G C 0.726 175.444 174.900 -0.302 0.000 1.216 272 G CA 0.474 45.475 45.100 -0.165 0.000 0.854 272 G HN 0.737 nan 8.290 nan 0.000 0.572 273 E N -0.689 119.377 120.200 -0.223 0.000 2.442 273 E HA -0.049 4.301 4.350 -0.000 0.000 0.195 273 E C 0.377 176.764 176.600 -0.355 0.000 1.030 273 E CA 0.100 56.345 56.400 -0.259 0.000 0.869 273 E CB 0.176 29.807 29.700 -0.114 0.000 0.857 273 E HN 0.408 nan 8.360 nan 0.000 0.505 274 N N -0.229 118.247 118.700 -0.373 0.000 2.571 274 N HA 0.036 4.776 4.740 -0.000 0.000 0.286 274 N C -1.398 173.948 175.510 -0.273 0.000 1.138 274 N CA -0.427 52.480 53.050 -0.238 0.000 0.859 274 N CB 0.949 39.340 38.487 -0.161 0.000 1.414 274 N HN 0.009 nan 8.380 nan 0.000 0.529 275 Y N 1.325 121.629 120.300 0.006 0.000 2.532 275 Y HA 0.246 4.796 4.550 -0.000 0.000 0.283 275 Y C 1.422 177.327 175.900 0.007 0.000 1.181 275 Y CA -0.369 57.743 58.100 0.019 0.000 1.256 275 Y CB 0.363 38.844 38.460 0.035 0.000 1.112 275 Y HN 0.483 nan 8.280 nan 0.000 0.521 276 D N 0.940 121.397 120.400 0.094 0.000 2.269 276 D HA 0.018 4.658 4.640 -0.000 0.000 0.208 276 D C 0.265 176.596 176.300 0.053 0.000 0.963 276 D CA 1.062 55.102 54.000 0.067 0.000 0.864 276 D CB 0.354 41.175 40.800 0.036 0.000 0.936 276 D HN 0.397 nan 8.370 nan 0.000 0.505 277 I N -1.498 119.093 120.570 0.034 0.000 2.656 277 I HA 0.425 4.595 4.170 -0.000 0.000 0.292 277 I C -1.309 174.837 176.117 0.048 0.000 1.144 277 I CA -1.386 59.941 61.300 0.045 0.000 1.038 277 I CB 2.123 40.136 38.000 0.021 0.000 1.244 277 I HN -0.270 nan 8.210 nan 0.000 0.420 278 I N 2.426 123.033 120.570 0.062 0.000 2.610 278 I HA 0.939 5.109 4.170 -0.000 0.000 0.289 278 I C -0.136 175.988 176.117 0.012 0.000 1.163 278 I CA -0.766 60.559 61.300 0.043 0.000 1.044 278 I CB 1.531 39.553 38.000 0.037 0.000 1.251 278 I HN 0.838 nan 8.210 nan 0.000 0.424 279 A N 3.827 126.634 122.820 -0.022 0.000 2.252 279 A HA 0.908 5.228 4.320 -0.000 0.000 0.305 279 A C -0.414 177.030 177.584 -0.234 0.000 1.097 279 A CA -0.402 51.520 52.037 -0.191 0.000 0.849 279 A CB 0.909 19.686 19.000 -0.373 0.000 1.142 279 A HN 0.793 nan 8.150 nan 0.000 0.499 280 E N -0.327 119.662 120.200 -0.352 0.000 2.448 280 E HA 0.246 4.596 4.350 -0.000 0.000 0.288 280 E C -1.826 174.653 176.600 -0.203 0.000 0.936 280 E CA -0.133 56.143 56.400 -0.207 0.000 0.809 280 E CB 1.147 30.774 29.700 -0.122 0.000 1.408 280 E HN 0.478 nan 8.360 nan 0.000 0.393 281 F N 4.806 124.592 119.950 -0.273 0.000 2.468 281 F HA 0.209 4.736 4.527 -0.000 0.000 0.356 281 F C 0.386 176.167 175.800 -0.031 0.000 1.167 281 F CA -0.275 57.664 58.000 -0.102 0.000 1.135 281 F CB -0.056 38.964 39.000 0.033 0.000 1.197 281 F HN 0.473 nan 8.300 nan 0.000 0.569 282 N N 4.176 122.633 118.700 -0.406 0.000 2.740 282 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 282 N C 0.783 176.199 175.510 -0.157 0.000 1.062 282 N CA 1.051 53.903 53.050 -0.330 0.000 0.704 282 N CB -1.474 36.718 38.487 -0.490 0.000 0.968 282 N HN 1.213 nan 8.380 nan 0.000 0.547 283 G N -0.201 108.540 108.800 -0.097 0.000 2.272 283 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.280 283 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.280 283 G C -0.310 174.570 174.900 -0.034 0.000 1.067 283 G CA 0.733 45.803 45.100 -0.050 0.000 0.902 283 G HN 0.683 nan 8.290 nan 0.000 0.500 284 Q N -0.211 119.578 119.800 -0.018 0.000 2.305 284 Q HA 0.492 4.832 4.340 -0.000 0.000 0.271 284 Q C -2.595 173.417 176.000 0.020 0.000 1.046 284 Q CA -2.426 53.388 55.803 0.019 0.000 0.798 284 Q CB 2.822 31.601 28.738 0.068 0.000 1.286 284 Q HN 0.145 nan 8.270 nan 0.000 0.435 285 P HA 0.063 nan 4.420 nan 0.000 0.261 285 P C -1.437 175.865 177.300 0.002 0.000 1.203 285 P CA 0.461 63.560 63.100 -0.001 0.000 0.767 285 P CB 0.549 32.251 31.700 0.003 0.000 0.785 286 A N 2.566 125.374 122.820 -0.019 0.000 2.587 286 A HA 0.675 4.995 4.320 -0.000 0.000 0.293 286 A C -0.489 177.094 177.584 -0.001 0.000 1.087 286 A CA -0.471 51.561 52.037 -0.009 0.000 0.692 286 A CB 1.708 20.717 19.000 0.015 0.000 1.291 286 A HN 0.409 nan 8.150 nan 0.000 0.407 287 S N -1.437 114.296 115.700 0.053 0.000 2.837 287 S HA 0.966 5.436 4.470 -0.000 0.000 0.314 287 S C 0.146 174.887 174.600 0.234 0.000 1.098 287 S CA 0.151 58.426 58.200 0.126 0.000 0.903 287 S CB 1.759 64.994 63.200 0.059 0.000 1.310 287 S HN 2.222 nan 8.310 nan 0.000 0.581 288 G N -0.348 108.585 108.800 0.223 0.000 2.489 288 G HA2 0.528 4.488 3.960 -0.000 0.000 0.305 288 G HA3 0.528 4.488 3.960 -0.000 0.000 0.305 288 G C -2.365 172.604 174.900 0.115 0.000 1.311 288 G CA -0.637 44.517 45.100 0.090 0.000 0.813 288 G HN 0.672 nan 8.290 nan 0.000 0.480 289 L N 1.232 122.448 121.223 -0.011 0.000 2.529 289 L HA 0.475 4.815 4.340 -0.000 0.000 0.258 289 L C 0.564 177.420 176.870 -0.023 0.000 1.032 289 L CA -0.615 54.252 54.840 0.044 0.000 0.899 289 L CB 1.925 43.985 42.059 0.001 0.000 1.174 289 L HN 0.788 nan 8.230 nan 0.000 0.458 290 G N 3.926 112.778 108.800 0.086 0.000 2.741 290 G HA2 0.418 4.378 3.960 -0.000 0.000 0.301 290 G HA3 0.418 4.378 3.960 -0.000 0.000 0.301 290 G C -0.058 174.873 174.900 0.051 0.000 0.834 290 G CA -0.236 44.764 45.100 -0.166 0.000 1.683 290 G HN 0.390 nan 8.290 nan 0.000 0.506 291 I N 1.712 122.341 120.570 0.099 0.000 2.496 291 I HA 0.231 4.401 4.170 -0.000 0.000 0.285 291 I C 0.684 176.995 176.117 0.323 0.000 1.080 291 I CA 0.017 61.427 61.300 0.184 0.000 1.404 291 I CB 1.145 39.215 38.000 0.117 0.000 1.403 291 I HN 0.493 nan 8.210 nan 0.000 0.539 292 K N 6.736 127.320 120.400 0.306 0.000 2.281 292 K HA 0.595 4.915 4.320 -0.000 0.000 0.242 292 K C -0.905 175.784 176.600 0.148 0.000 0.971 292 K CA -0.839 55.598 56.287 0.250 0.000 0.834 292 K CB 1.532 34.149 32.500 0.195 0.000 1.181 292 K HN 0.434 nan 8.250 nan 0.000 0.435 293 L N 1.380 122.673 121.223 0.117 0.000 2.472 293 L HA 0.209 4.549 4.340 -0.000 0.000 0.260 293 L C 0.549 177.463 176.870 0.073 0.000 1.209 293 L CA 0.066 54.962 54.840 0.092 0.000 0.817 293 L CB 1.210 43.321 42.059 0.087 0.000 1.106 293 L HN 1.086 nan 8.230 nan 0.000 0.479 294 A N 0.726 123.582 122.820 0.060 0.000 2.577 294 A HA 0.234 4.554 4.320 -0.000 0.000 0.280 294 A C 0.465 178.070 177.584 0.035 0.000 1.331 294 A CA -0.032 52.032 52.037 0.046 0.000 0.935 294 A CB -0.385 18.638 19.000 0.038 0.000 1.082 294 A HN 0.845 nan 8.150 nan 0.000 0.525 295 T N -0.542 114.037 114.554 0.041 0.000 3.318 295 T HA -0.024 4.326 4.350 -0.000 0.000 0.428 295 T C 1.174 175.889 174.700 0.024 0.000 0.768 295 T CA 1.290 63.410 62.100 0.034 0.000 2.218 295 T CB -1.878 67.006 68.868 0.026 0.000 1.689 295 T HN 2.177 nan 8.240 nan 0.000 0.671 296 G N -0.975 107.845 108.800 0.033 0.000 2.192 296 G HA2 0.253 4.213 3.960 -0.000 0.000 0.193 296 G HA3 0.253 4.213 3.960 -0.000 0.000 0.193 296 G C 0.325 175.244 174.900 0.031 0.000 0.999 296 G CA 0.383 45.500 45.100 0.028 0.000 0.659 296 G HN 1.818 nan 8.290 nan 0.000 0.503 297 A N 0.116 122.958 122.820 0.038 0.000 2.346 297 A HA 0.592 4.912 4.320 -0.000 0.000 0.255 297 A C 1.162 178.772 177.584 0.044 0.000 1.113 297 A CA 0.478 52.539 52.037 0.039 0.000 0.798 297 A CB 0.173 19.200 19.000 0.045 0.000 1.073 297 A HN 0.297 nan 8.150 nan 0.000 0.502 298 N N 0.401 119.125 118.700 0.041 0.000 2.370 298 N HA 0.221 4.961 4.740 -0.000 0.000 0.198 298 N C 1.214 176.752 175.510 0.047 0.000 1.156 298 N CA 0.860 53.934 53.050 0.040 0.000 0.839 298 N CB 0.040 38.545 38.487 0.031 0.000 0.989 298 N HN 0.894 nan 8.380 nan 0.000 0.468 299 A N 1.810 124.665 122.820 0.058 0.000 3.386 299 A HA -0.329 3.991 4.320 -0.000 0.000 0.340 299 A C 1.521 179.144 177.584 0.064 0.000 1.797 299 A CA 1.875 53.955 52.037 0.071 0.000 0.939 299 A CB -1.742 17.305 19.000 0.078 0.000 1.453 299 A HN 0.378 nan 8.150 nan 0.000 0.623 300 L N -1.336 119.918 121.223 0.052 0.000 2.313 300 L HA 0.125 4.465 4.340 -0.000 0.000 0.214 300 L C 1.620 178.510 176.870 0.032 0.000 1.119 300 L CA 2.624 57.490 54.840 0.043 0.000 0.809 300 L CB -0.358 41.719 42.059 0.030 0.000 0.933 300 L HN 0.475 nan 8.230 nan 0.000 0.449 301 D N 0.090 120.507 120.400 0.029 0.000 2.183 301 D HA -0.121 4.519 4.640 -0.000 0.000 0.203 301 D C 2.136 178.454 176.300 0.029 0.000 0.969 301 D CA 1.666 55.679 54.000 0.023 0.000 0.842 301 D CB -0.215 40.596 40.800 0.019 0.000 0.957 301 D HN 0.354 nan 8.370 nan 0.000 0.484 302 T N 0.150 114.727 114.554 0.039 0.000 2.821 302 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 302 T C 1.922 176.652 174.700 0.050 0.000 1.046 302 T CA 1.301 63.428 62.100 0.045 0.000 1.139 302 T CB -0.172 68.728 68.868 0.054 0.000 0.871 302 T HN 0.188 nan 8.240 nan 0.000 0.454 303 A N 0.849 123.701 122.820 0.054 0.000 2.119 303 A HA 0.406 4.726 4.320 -0.000 0.000 0.217 303 A C 2.461 180.071 177.584 0.044 0.000 1.153 303 A CA 1.308 53.380 52.037 0.059 0.000 0.692 303 A CB -0.614 18.425 19.000 0.065 0.000 0.799 303 A HN 0.475 nan 8.150 nan 0.000 0.458 304 A N -0.287 122.552 122.820 0.032 0.000 1.930 304 A HA 0.341 4.661 4.320 -0.000 0.000 0.215 304 A C 2.248 179.847 177.584 0.025 0.000 1.176 304 A CA 1.429 53.478 52.037 0.020 0.000 0.632 304 A CB -0.594 18.413 19.000 0.012 0.000 0.819 304 A HN 0.941 nan 8.150 nan 0.000 0.445 305 A N -0.729 122.108 122.820 0.030 0.000 2.208 305 A HA 0.284 4.604 4.320 -0.000 0.000 0.209 305 A C 1.805 179.413 177.584 0.040 0.000 1.161 305 A CA 0.450 52.505 52.037 0.030 0.000 0.782 305 A CB -0.488 18.528 19.000 0.026 0.000 0.816 305 A HN 0.458 nan 8.150 nan 0.000 0.477 306 I N -1.090 119.510 120.570 0.050 0.000 2.439 306 I HA -0.128 4.042 4.170 -0.000 0.000 0.251 306 I C 2.462 178.624 176.117 0.074 0.000 1.139 306 I CA 1.002 62.340 61.300 0.063 0.000 1.438 306 I CB 0.003 38.048 38.000 0.075 0.000 1.085 306 I HN 0.201 nan 8.210 nan 0.000 0.427 307 R N 1.342 121.883 120.500 0.069 0.000 2.275 307 R HA 0.107 4.447 4.340 -0.000 0.000 0.199 307 R C 1.884 178.214 176.300 0.051 0.000 0.989 307 R CA 1.044 57.188 56.100 0.072 0.000 1.016 307 R CB -0.410 29.920 30.300 0.049 0.000 0.918 307 R HN 0.293 nan 8.270 nan 0.000 0.473 308 A N 0.568 123.412 122.820 0.040 0.000 1.854 308 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 308 A C 1.772 179.378 177.584 0.035 0.000 1.192 308 A CA 1.218 53.273 52.037 0.031 0.000 0.611 308 A CB -0.317 18.697 19.000 0.024 0.000 0.832 308 A HN 0.270 nan 8.150 nan 0.000 0.442 309 E N -0.253 119.971 120.200 0.040 0.000 2.072 309 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 309 E C 2.058 178.691 176.600 0.055 0.000 0.985 309 E CA 0.953 57.378 56.400 0.042 0.000 0.801 309 E CB -0.540 29.183 29.700 0.038 0.000 0.750 309 E HN 0.603 nan 8.360 nan 0.000 0.452 310 L N 0.684 121.948 121.223 0.068 0.000 2.127 310 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 310 L C 2.253 179.158 176.870 0.058 0.000 1.089 310 L CA 1.542 56.436 54.840 0.090 0.000 0.757 310 L CB -0.196 41.933 42.059 0.117 0.000 0.899 310 L HN 0.050 nan 8.230 nan 0.000 0.434 311 A N -0.600 122.245 122.820 0.041 0.000 1.930 311 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 311 A C 2.145 179.721 177.584 -0.014 0.000 1.175 311 A CA 1.326 53.367 52.037 0.007 0.000 0.627 311 A CB -0.299 18.708 19.000 0.013 0.000 0.815 311 A HN 0.321 nan 8.150 nan 0.000 0.443 312 K N -0.933 119.484 120.400 0.027 0.000 2.366 312 K HA 0.114 4.433 4.320 -0.000 0.000 0.198 312 K C 1.552 178.235 176.600 0.139 0.000 1.044 312 K CA 0.837 57.171 56.287 0.078 0.000 0.973 312 K CB -0.272 32.281 32.500 0.089 0.000 0.767 312 K HN 0.531 nan 8.250 nan 0.000 0.475 313 M N 0.568 120.205 119.600 0.063 0.000 2.388 313 M HA -0.033 4.447 4.480 -0.000 0.000 0.265 313 M C 1.650 177.733 176.300 -0.363 0.000 1.088 313 M CA 1.010 56.355 55.300 0.076 0.000 1.134 313 M CB 0.121 32.824 32.600 0.173 0.000 1.384 313 M HN 0.075 nan 8.290 nan 0.000 0.447 314 E N 0.344 120.212 120.200 -0.553 0.000 2.058 314 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 314 E C -0.768 175.313 176.600 -0.865 0.000 0.997 314 E CA 1.332 57.120 56.400 -1.021 0.000 0.801 314 E CB -1.411 28.029 29.700 -0.434 0.000 0.746 314 E HN 0.419 nan 8.360 nan 0.000 0.450 315 P HA -0.128 nan 4.420 nan 0.000 0.220 315 P C 0.411 177.366 177.300 -0.575 0.000 1.148 315 P CA 1.094 63.833 63.100 -0.601 0.000 0.803 315 P CB -0.081 31.131 31.700 -0.814 0.000 0.782 316 F N -2.189 117.700 119.950 -0.102 0.000 2.713 316 F HA 0.236 4.763 4.527 -0.000 0.000 0.294 316 F C 0.700 176.687 175.800 0.311 0.000 1.152 316 F CA -0.668 57.382 58.000 0.083 0.000 1.385 316 F CB -0.598 38.461 39.000 0.099 0.000 0.981 316 F HN -0.238 nan 8.300 nan 0.000 0.514 317 F N 2.484 122.544 119.950 0.184 0.000 2.371 317 F HA 0.398 4.925 4.527 -0.000 0.000 0.329 317 F C -1.238 174.556 175.800 -0.010 0.000 1.107 317 F CA -3.656 54.407 58.000 0.106 0.000 1.137 317 F CB -0.168 38.866 39.000 0.057 0.000 1.214 317 F HN -0.079 nan 8.300 nan 0.000 0.536 318 P HA 0.088 nan 4.420 nan 0.000 0.279 318 P C -0.669 176.625 177.300 -0.010 0.000 1.282 318 P CA -0.489 62.590 63.100 -0.035 0.000 0.788 318 P CB 0.534 32.128 31.700 -0.177 0.000 1.139 319 S N -1.166 114.525 115.700 -0.015 0.000 2.498 319 S HA 0.398 4.868 4.470 -0.000 0.000 0.281 319 S C 1.203 175.791 174.600 -0.021 0.000 1.265 319 S CA 0.905 59.102 58.200 -0.003 0.000 1.071 319 S CB -1.464 61.736 63.200 -0.001 0.000 0.894 319 S HN 0.874 nan 8.310 nan 0.000 0.491 320 G N 4.225 113.023 108.800 -0.003 0.000 2.313 320 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 320 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 320 G C 0.075 174.963 174.900 -0.021 0.000 1.023 320 G CA -0.178 44.915 45.100 -0.011 0.000 0.626 320 G HN 0.677 nan 8.290 nan 0.000 0.503 321 L N 1.877 123.065 121.223 -0.058 0.000 2.562 321 L HA 0.474 4.814 4.340 -0.000 0.000 0.271 321 L C 0.445 177.333 176.870 0.030 0.000 1.167 321 L CA 1.027 55.788 54.840 -0.131 0.000 0.917 321 L CB 0.743 42.570 42.059 -0.387 0.000 1.187 321 L HN 0.542 nan 8.230 nan 0.000 0.482 322 K N 4.992 125.393 120.400 0.002 0.000 2.469 322 K HA 0.495 4.815 4.320 -0.000 0.000 0.254 322 K C -0.999 175.606 176.600 0.008 0.000 0.939 322 K CA -0.824 55.511 56.287 0.080 0.000 0.812 322 K CB 1.968 34.500 32.500 0.053 0.000 1.301 322 K HN 0.376 nan 8.250 nan 0.000 0.433 323 I N 3.622 124.217 120.570 0.043 0.000 2.472 323 I HA 0.322 4.492 4.170 -0.000 0.000 0.290 323 I C -0.139 175.837 176.117 -0.235 0.000 1.016 323 I CA -0.722 60.507 61.300 -0.119 0.000 1.348 323 I CB 1.324 39.280 38.000 -0.074 0.000 1.417 323 I HN 0.424 nan 8.210 nan 0.000 0.521 324 V N 7.326 126.969 119.914 -0.452 0.000 3.040 324 V HA 0.466 4.586 4.120 -0.000 0.000 0.312 324 V C -1.610 174.115 176.094 -0.614 0.000 1.115 324 V CA -0.470 61.576 62.300 -0.422 0.000 0.998 324 V CB 2.748 34.264 31.823 -0.512 0.000 1.042 324 V HN 0.545 nan 8.190 nan 0.000 0.433 325 Y N 5.810 126.047 120.300 -0.106 0.000 2.646 325 Y HA 0.530 5.080 4.550 -0.000 0.000 0.334 325 Y C -1.945 173.942 175.900 -0.022 0.000 1.004 325 Y CA -1.606 56.449 58.100 -0.074 0.000 1.301 325 Y CB 1.077 39.519 38.460 -0.030 0.000 1.093 325 Y HN 0.587 nan 8.280 nan 0.000 0.530 326 P HA 0.087 nan 4.420 nan 0.000 0.317 326 P C -0.582 176.771 177.300 0.087 0.000 1.307 326 P CA -0.722 62.445 63.100 0.112 0.000 0.749 326 P CB 0.754 32.533 31.700 0.133 0.000 1.377 327 Y N 0.160 120.427 120.300 -0.054 0.000 2.784 327 Y HA -0.221 4.329 4.550 -0.000 0.000 0.292 327 Y C -0.303 175.557 175.900 -0.066 0.000 1.367 327 Y CA 0.994 59.036 58.100 -0.096 0.000 1.126 327 Y CB -1.062 37.254 38.460 -0.240 0.000 1.491 327 Y HN 0.210 nan 8.280 nan 0.000 0.327 328 D N 3.180 123.531 120.400 -0.081 0.000 2.787 328 D HA 0.330 4.970 4.640 -0.000 0.000 0.246 328 D C 0.391 176.666 176.300 -0.043 0.000 1.150 328 D CA -0.405 53.598 54.000 0.005 0.000 0.864 328 D CB 1.936 42.756 40.800 0.034 0.000 1.481 328 D HN 0.371 nan 8.370 nan 0.000 0.509 329 T N 1.209 115.786 114.554 0.040 0.000 3.051 329 T HA -0.001 4.349 4.350 -0.000 0.000 0.255 329 T C 1.644 176.421 174.700 0.128 0.000 1.085 329 T CA 0.676 62.822 62.100 0.077 0.000 1.109 329 T CB 0.166 69.106 68.868 0.121 0.000 0.921 329 T HN 0.414 nan 8.240 nan 0.000 0.488 330 T N 3.041 117.650 114.554 0.091 0.000 2.635 330 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 330 T C -0.535 174.224 174.700 0.098 0.000 1.040 330 T CA 1.417 63.562 62.100 0.075 0.000 1.156 330 T CB -1.090 67.793 68.868 0.026 0.000 0.863 330 T HN 0.391 nan 8.240 nan 0.000 0.430 331 P HA 0.002 nan 4.420 nan 0.000 0.226 331 P C 1.190 178.651 177.300 0.267 0.000 1.153 331 P CA 0.682 63.877 63.100 0.159 0.000 0.777 331 P CB -0.196 31.595 31.700 0.153 0.000 0.794 332 F N 0.658 120.688 119.950 0.134 0.000 2.259 332 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 332 F C 2.200 178.024 175.800 0.041 0.000 1.088 332 F CA 0.811 58.902 58.000 0.151 0.000 1.358 332 F CB -0.678 38.409 39.000 0.145 0.000 1.040 332 F HN -0.278 nan 8.300 nan 0.000 0.505 333 V N 0.368 120.298 119.914 0.026 0.000 2.719 333 V HA -0.176 3.943 4.120 -0.000 0.000 0.252 333 V C 2.154 178.190 176.094 -0.096 0.000 1.065 333 V CA 1.518 63.760 62.300 -0.097 0.000 1.086 333 V CB -0.363 31.444 31.823 -0.026 0.000 0.700 333 V HN 0.232 nan 8.190 nan 0.000 0.467 334 K N -0.573 119.809 120.400 -0.030 0.000 2.288 334 K HA -0.030 4.290 4.320 -0.000 0.000 0.201 334 K C 1.791 178.381 176.600 -0.016 0.000 1.048 334 K CA 1.108 57.388 56.287 -0.013 0.000 0.956 334 K CB -0.024 32.489 32.500 0.022 0.000 0.746 334 K HN 0.364 nan 8.250 nan 0.000 0.461 335 I N 0.629 121.150 120.570 -0.081 0.000 2.852 335 I HA -0.108 4.062 4.170 -0.000 0.000 0.264 335 I C 1.725 177.674 176.117 -0.281 0.000 1.179 335 I CA 1.051 62.248 61.300 -0.172 0.000 1.480 335 I CB 0.223 38.063 38.000 -0.266 0.000 1.111 335 I HN -0.088 nan 8.210 nan 0.000 0.441 336 S N -0.096 115.394 115.700 -0.351 0.000 2.489 336 S HA 0.100 4.570 4.470 -0.000 0.000 0.228 336 S C 1.913 176.425 174.600 -0.147 0.000 0.995 336 S CA 0.828 58.832 58.200 -0.328 0.000 0.934 336 S CB -0.096 62.834 63.200 -0.450 0.000 0.771 336 S HN 0.356 nan 8.310 nan 0.000 0.522 337 I N 0.123 120.637 120.570 -0.094 0.000 2.731 337 I HA 0.002 4.172 4.170 -0.000 0.000 0.260 337 I C 2.172 178.312 176.117 0.038 0.000 1.138 337 I CA 0.837 62.123 61.300 -0.023 0.000 1.461 337 I CB -0.102 37.881 38.000 -0.028 0.000 1.128 337 I HN 0.234 nan 8.210 nan 0.000 0.438 338 H N 1.373 120.387 119.070 -0.093 0.000 2.551 338 H HA 0.144 4.700 4.556 -0.000 0.000 0.266 338 H C 0.565 175.839 175.328 -0.090 0.000 0.977 338 H CA 0.788 56.789 56.048 -0.079 0.000 1.163 338 H CB 0.248 29.967 29.762 -0.072 0.000 1.381 338 H HN 0.283 nan 8.280 nan 0.000 0.581 339 E N -0.113 119.997 120.200 -0.151 0.000 3.388 339 E HA 0.221 4.571 4.350 -0.000 0.000 0.214 339 E C -0.178 176.354 176.600 -0.114 0.000 1.040 339 E CA -0.050 56.224 56.400 -0.209 0.000 1.327 339 E CB 0.992 30.528 29.700 -0.273 0.000 1.243 339 E HN 0.166 nan 8.360 nan 0.000 0.444 340 V N -1.049 118.831 119.914 -0.058 0.000 3.163 340 V HA -0.093 4.027 4.120 -0.000 0.000 0.217 340 V C 1.415 177.505 176.094 -0.007 0.000 1.540 340 V CA 0.161 62.447 62.300 -0.023 0.000 1.205 340 V CB 1.055 32.910 31.823 0.053 0.000 1.110 340 V HN 0.146 nan 8.190 nan 0.000 0.482 341 V N 0.714 120.641 119.914 0.022 0.000 2.667 341 V HA -0.140 3.980 4.120 -0.000 0.000 0.252 341 V C 2.214 178.322 176.094 0.022 0.000 1.065 341 V CA 2.340 64.662 62.300 0.036 0.000 1.083 341 V CB -0.405 31.451 31.823 0.054 0.000 0.692 341 V HN 0.485 nan 8.190 nan 0.000 0.468 342 K N 0.028 120.434 120.400 0.009 0.000 2.103 342 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 342 K C 2.207 178.774 176.600 -0.054 0.000 1.052 342 K CA 1.526 57.800 56.287 -0.020 0.000 0.945 342 K CB -0.380 32.068 32.500 -0.087 0.000 0.722 342 K HN 0.309 nan 8.250 nan 0.000 0.443 343 T N 1.381 115.891 114.554 -0.074 0.000 2.995 343 T HA -0.030 4.320 4.350 -0.000 0.000 0.269 343 T C 1.368 176.020 174.700 -0.080 0.000 1.091 343 T CA 0.762 62.806 62.100 -0.092 0.000 1.128 343 T CB -0.112 68.679 68.868 -0.128 0.000 0.891 343 T HN 0.170 nan 8.240 nan 0.000 0.492 344 L N 0.968 122.159 121.223 -0.053 0.000 2.056 344 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 344 L C 2.250 179.098 176.870 -0.037 0.000 1.078 344 L CA 1.740 56.555 54.840 -0.041 0.000 0.749 344 L CB -1.101 40.954 42.059 -0.006 0.000 0.901 344 L HN 0.133 nan 8.230 nan 0.000 0.433 345 V N 0.412 120.309 119.914 -0.028 0.000 2.667 345 V HA -0.178 3.942 4.120 -0.000 0.000 0.252 345 V C 2.442 178.514 176.094 -0.036 0.000 1.065 345 V CA 1.368 63.652 62.300 -0.027 0.000 1.083 345 V CB -0.310 31.502 31.823 -0.018 0.000 0.692 345 V HN 0.462 nan 8.190 nan 0.000 0.468 346 E N 0.051 120.223 120.200 -0.045 0.000 2.285 346 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 346 E C 2.165 178.735 176.600 -0.051 0.000 0.997 346 E CA 0.928 57.299 56.400 -0.048 0.000 0.845 346 E CB -0.126 29.539 29.700 -0.058 0.000 0.782 346 E HN 0.602 nan 8.360 nan 0.000 0.491 347 A N 0.468 123.251 122.820 -0.063 0.000 2.021 347 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 347 A C 1.979 179.535 177.584 -0.046 0.000 1.163 347 A CA 0.448 52.440 52.037 -0.075 0.000 0.676 347 A CB -0.105 18.829 19.000 -0.110 0.000 0.818 347 A HN 0.101 nan 8.150 nan 0.000 0.453 348 I N -0.613 119.941 120.570 -0.027 0.000 2.400 348 I HA -0.104 4.066 4.170 -0.000 0.000 0.248 348 I C 2.171 178.315 176.117 0.046 0.000 1.109 348 I CA 0.814 62.118 61.300 0.006 0.000 1.425 348 I CB -0.105 37.895 38.000 -0.001 0.000 1.094 348 I HN 0.243 nan 8.210 nan 0.000 0.425 349 I N 0.406 120.983 120.570 0.011 0.000 2.315 349 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 349 I C 2.315 178.475 176.117 0.073 0.000 1.117 349 I CA 1.109 62.417 61.300 0.014 0.000 1.404 349 I CB -0.053 37.924 38.000 -0.038 0.000 1.071 349 I HN 0.223 nan 8.210 nan 0.000 0.419 350 L N -0.100 121.145 121.223 0.037 0.000 2.109 350 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 350 L C 2.523 179.421 176.870 0.047 0.000 1.086 350 L CA 1.305 56.166 54.840 0.035 0.000 0.760 350 L CB -0.688 41.370 42.059 -0.003 0.000 0.910 350 L HN 0.130 nan 8.230 nan 0.000 0.437 351 V N -0.737 119.199 119.914 0.038 0.000 2.626 351 V HA -0.274 3.846 4.120 -0.000 0.000 0.252 351 V C 2.220 178.345 176.094 0.052 0.000 1.067 351 V CA 1.268 63.579 62.300 0.017 0.000 1.081 351 V CB -0.565 31.254 31.823 -0.007 0.000 0.686 351 V HN 0.258 nan 8.190 nan 0.000 0.468 352 F N 0.124 120.054 119.950 -0.033 0.000 2.234 352 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 352 F C 1.967 177.779 175.800 0.021 0.000 1.087 352 F CA 1.497 59.480 58.000 -0.029 0.000 1.340 352 F CB 0.056 39.026 39.000 -0.051 0.000 1.031 352 F HN 0.054 nan 8.300 nan 0.000 0.500 353 L N -1.224 120.132 121.223 0.223 0.000 2.156 353 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 353 L C 2.210 179.166 176.870 0.143 0.000 1.095 353 L CA 0.533 55.492 54.840 0.198 0.000 0.770 353 L CB -0.835 41.324 42.059 0.167 0.000 0.914 353 L HN -0.037 nan 8.230 nan 0.000 0.439 354 V N -0.542 119.405 119.914 0.056 0.000 2.453 354 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 354 V C 2.349 178.412 176.094 -0.051 0.000 1.048 354 V CA 1.489 63.780 62.300 -0.016 0.000 1.049 354 V CB -0.309 31.442 31.823 -0.119 0.000 0.672 354 V HN 0.329 nan 8.190 nan 0.000 0.457 355 M N -1.493 118.064 119.600 -0.071 0.000 2.394 355 M HA -0.042 4.438 4.480 -0.000 0.000 0.264 355 M C 1.908 178.213 176.300 0.008 0.000 1.073 355 M CA 1.464 56.710 55.300 -0.091 0.000 1.111 355 M CB -0.418 32.070 32.600 -0.186 0.000 1.401 355 M HN 0.411 nan 8.290 nan 0.000 0.448 356 Y N -0.578 119.660 120.300 -0.104 0.000 2.397 356 Y HA 0.049 4.599 4.550 -0.000 0.000 0.292 356 Y C 1.631 177.581 175.900 0.084 0.000 1.115 356 Y CA 1.107 59.188 58.100 -0.031 0.000 1.208 356 Y CB 0.151 38.594 38.460 -0.028 0.000 1.046 356 Y HN 0.047 nan 8.280 nan 0.000 0.552 357 L N -1.685 119.654 121.223 0.193 0.000 2.072 357 L HA -0.197 4.143 4.340 -0.000 0.000 0.205 357 L C 1.966 178.850 176.870 0.023 0.000 1.079 357 L CA 1.467 56.410 54.840 0.171 0.000 0.752 357 L CB -0.854 41.382 42.059 0.295 0.000 0.906 357 L HN 0.194 nan 8.230 nan 0.000 0.436 358 F N 0.273 120.136 119.950 -0.144 0.000 2.187 358 F HA 0.041 4.568 4.527 -0.000 0.000 0.295 358 F C 1.069 176.841 175.800 -0.047 0.000 1.091 358 F CA 0.425 58.316 58.000 -0.182 0.000 1.308 358 F CB -0.152 38.782 39.000 -0.110 0.000 1.030 358 F HN -0.102 nan 8.300 nan 0.000 0.487 359 L N 0.555 121.901 121.223 0.206 0.000 2.343 359 L HA 0.362 4.702 4.340 -0.000 0.000 0.278 359 L C 0.955 177.857 176.870 0.053 0.000 0.996 359 L CA -0.553 54.409 54.840 0.203 0.000 0.831 359 L CB 1.491 43.629 42.059 0.131 0.000 1.232 359 L HN 0.073 nan 8.230 nan 0.000 0.413 360 Q N 1.067 120.918 119.800 0.084 0.000 2.436 360 Q HA 0.022 4.362 4.340 -0.000 0.000 0.209 360 Q C -0.201 175.718 176.000 -0.135 0.000 0.965 360 Q CA 0.502 56.169 55.803 -0.227 0.000 0.910 360 Q CB -0.060 28.640 28.738 -0.064 0.000 0.980 360 Q HN 0.671 nan 8.270 nan 0.000 0.491 361 N N 1.223 119.939 118.700 0.026 0.000 2.468 361 N HA -0.031 4.709 4.740 -0.000 0.000 0.265 361 N C -0.056 175.593 175.510 0.231 0.000 1.199 361 N CA 0.059 53.185 53.050 0.126 0.000 0.928 361 N CB 0.503 39.044 38.487 0.089 0.000 1.059 361 N HN 0.167 nan 8.380 nan 0.000 0.467 362 F N 4.089 124.158 119.950 0.199 0.000 2.186 362 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 362 F C 2.465 178.337 175.800 0.120 0.000 1.090 362 F CA 1.136 59.267 58.000 0.218 0.000 1.307 362 F CB 0.203 39.327 39.000 0.207 0.000 1.019 362 F HN 0.476 nan 8.300 nan 0.000 0.489 363 R N 0.775 121.393 120.500 0.196 0.000 2.148 363 R HA -0.019 4.321 4.340 -0.000 0.000 0.227 363 R C 2.019 178.316 176.300 -0.005 0.000 1.103 363 R CA 1.250 57.403 56.100 0.089 0.000 0.983 363 R CB -1.596 28.785 30.300 0.134 0.000 0.874 363 R HN 0.342 nan 8.270 nan 0.000 0.451 364 A N 1.131 123.950 122.820 -0.002 0.000 2.014 364 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 364 A C 1.777 179.296 177.584 -0.107 0.000 1.163 364 A CA 1.425 53.447 52.037 -0.025 0.000 0.652 364 A CB -0.334 18.673 19.000 0.013 0.000 0.808 364 A HN 0.376 nan 8.150 nan 0.000 0.449 365 T N -0.299 114.121 114.554 -0.223 0.000 3.591 365 T HA 0.497 4.847 4.350 -0.000 0.000 0.232 365 T C 0.476 174.888 174.700 -0.479 0.000 1.116 365 T CA 0.088 61.917 62.100 -0.452 0.000 1.063 365 T CB -0.635 67.781 68.868 -0.753 0.000 1.227 365 T HN 0.329 nan 8.240 nan 0.000 0.685 366 L N 0.717 121.809 121.223 -0.219 0.000 3.188 366 L HA 0.293 4.633 4.340 -0.000 0.000 0.327 366 L C 1.617 178.479 176.870 -0.014 0.000 1.009 366 L CA 0.240 55.021 54.840 -0.099 0.000 1.373 366 L CB -0.075 41.924 42.059 -0.100 0.000 2.331 366 L HN 0.320 nan 8.230 nan 0.000 0.594 367 I N 1.970 122.533 120.570 -0.011 0.000 2.252 367 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 367 I C -0.618 175.500 176.117 0.002 0.000 1.102 367 I CA 1.204 62.517 61.300 0.021 0.000 1.385 367 I CB -1.592 36.426 38.000 0.030 0.000 1.064 367 I HN 0.240 nan 8.210 nan 0.000 0.414 368 P HA -0.030 nan 4.420 nan 0.000 0.225 368 P C 1.517 178.807 177.300 -0.016 0.000 1.156 368 P CA 1.169 64.254 63.100 -0.024 0.000 0.787 368 P CB -0.146 31.528 31.700 -0.042 0.000 0.802 369 T N -0.476 114.077 114.554 -0.003 0.000 2.951 369 T HA 0.013 4.363 4.350 -0.000 0.000 0.268 369 T C 1.519 176.227 174.700 0.013 0.000 1.073 369 T CA 1.023 63.142 62.100 0.033 0.000 1.134 369 T CB -0.567 68.360 68.868 0.099 0.000 0.884 369 T HN 0.137 nan 8.240 nan 0.000 0.479 370 I N 0.519 121.088 120.570 -0.002 0.000 3.783 370 I HA 0.236 4.406 4.170 -0.000 0.000 0.310 370 I C 2.518 178.599 176.117 -0.059 0.000 1.274 370 I CA 0.036 61.315 61.300 -0.036 0.000 1.294 370 I CB -0.166 37.808 38.000 -0.043 0.000 1.051 370 I HN 0.110 nan 8.210 nan 0.000 0.435 371 A N 1.330 124.127 122.820 -0.038 0.000 1.840 371 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 371 A C 2.421 179.978 177.584 -0.046 0.000 1.198 371 A CA 2.006 54.018 52.037 -0.042 0.000 0.608 371 A CB -0.955 18.030 19.000 -0.025 0.000 0.839 371 A HN 0.265 nan 8.150 nan 0.000 0.443 372 V N -2.405 117.485 119.914 -0.040 0.000 2.427 372 V HA -0.060 4.060 4.120 -0.000 0.000 0.248 372 V C -0.175 175.891 176.094 -0.047 0.000 1.051 372 V CA 1.518 63.791 62.300 -0.045 0.000 1.048 372 V CB -2.064 29.733 31.823 -0.044 0.000 0.666 372 V HN 0.425 nan 8.190 nan 0.000 0.456 373 P HA -0.061 nan 4.420 nan 0.000 0.218 373 P C 2.001 179.279 177.300 -0.036 0.000 1.149 373 P CA 1.427 64.510 63.100 -0.029 0.000 0.817 373 P CB -0.078 31.609 31.700 -0.022 0.000 0.785 374 V N 0.163 120.042 119.914 -0.058 0.000 2.427 374 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 374 V C 2.766 178.827 176.094 -0.056 0.000 1.051 374 V CA 1.528 63.788 62.300 -0.066 0.000 1.048 374 V CB -0.958 30.804 31.823 -0.101 0.000 0.666 374 V HN -0.048 nan 8.190 nan 0.000 0.456 375 V N -0.670 119.208 119.914 -0.061 0.000 2.591 375 V HA -0.150 3.970 4.120 -0.000 0.000 0.249 375 V C 2.229 178.259 176.094 -0.107 0.000 1.053 375 V CA 1.329 63.588 62.300 -0.069 0.000 1.068 375 V CB -0.369 31.416 31.823 -0.063 0.000 0.689 375 V HN 0.411 nan 8.190 nan 0.000 0.462 376 L N -0.661 120.492 121.223 -0.117 0.000 2.046 376 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 376 L C 2.290 178.975 176.870 -0.309 0.000 1.077 376 L CA 1.618 56.330 54.840 -0.214 0.000 0.747 376 L CB -0.300 41.690 42.059 -0.114 0.000 0.896 376 L HN 0.281 nan 8.230 nan 0.000 0.432 377 L N -1.489 119.700 121.223 -0.058 0.000 2.109 377 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 377 L C 2.602 179.512 176.870 0.066 0.000 1.086 377 L CA 1.125 56.043 54.840 0.129 0.000 0.760 377 L CB -1.265 40.870 42.059 0.128 0.000 0.910 377 L HN 0.325 nan 8.230 nan 0.000 0.437 378 G N -0.439 108.353 108.800 -0.012 0.000 2.432 378 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 378 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 378 G C 1.583 176.476 174.900 -0.012 0.000 1.135 378 G CA 1.268 46.366 45.100 -0.002 0.000 0.767 378 G HN 0.262 nan 8.290 nan 0.000 0.550 379 T N 0.832 115.319 114.554 -0.112 0.000 2.821 379 T HA -0.031 4.319 4.350 -0.000 0.000 0.267 379 T C 2.012 176.680 174.700 -0.053 0.000 1.046 379 T CA 0.755 62.780 62.100 -0.124 0.000 1.139 379 T CB -0.331 68.383 68.868 -0.257 0.000 0.871 379 T HN 0.361 nan 8.240 nan 0.000 0.454 380 F N 1.448 121.436 119.950 0.063 0.000 2.216 380 F HA -0.042 4.485 4.527 -0.000 0.000 0.300 380 F C 2.670 178.507 175.800 0.063 0.000 1.085 380 F CA 0.556 58.594 58.000 0.064 0.000 1.326 380 F CB -0.290 38.734 39.000 0.039 0.000 1.027 380 F HN 0.142 nan 8.300 nan 0.000 0.497 381 A N -0.333 122.613 122.820 0.211 0.000 2.014 381 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 381 A C 2.202 179.837 177.584 0.085 0.000 1.163 381 A CA 1.270 53.378 52.037 0.119 0.000 0.652 381 A CB -0.871 18.173 19.000 0.073 0.000 0.808 381 A HN 0.184 nan 8.150 nan 0.000 0.449 382 V N 0.154 120.139 119.914 0.119 0.000 2.407 382 V HA -0.148 3.972 4.120 -0.000 0.000 0.245 382 V C 2.393 178.665 176.094 0.295 0.000 1.041 382 V CA 1.506 63.899 62.300 0.155 0.000 1.040 382 V CB -0.642 31.318 31.823 0.228 0.000 0.671 382 V HN 0.559 nan 8.190 nan 0.000 0.455 383 L N 0.192 121.617 121.223 0.337 0.000 2.291 383 L HA -0.028 4.312 4.340 -0.000 0.000 0.214 383 L C 2.595 179.635 176.870 0.282 0.000 1.120 383 L CA 1.244 56.361 54.840 0.462 0.000 0.799 383 L CB -0.765 41.557 42.059 0.437 0.000 0.925 383 L HN 0.359 nan 8.230 nan 0.000 0.446 384 A N 0.200 123.129 122.820 0.181 0.000 1.930 384 A HA 0.089 4.409 4.320 -0.000 0.000 0.215 384 A C 2.476 180.071 177.584 0.019 0.000 1.176 384 A CA 1.200 53.292 52.037 0.093 0.000 0.632 384 A CB -0.336 18.712 19.000 0.079 0.000 0.819 384 A HN 0.330 nan 8.150 nan 0.000 0.445 385 A N -1.850 120.951 122.820 -0.031 0.000 2.067 385 A HA 0.246 4.566 4.320 -0.000 0.000 0.217 385 A C 1.824 179.276 177.584 -0.221 0.000 1.156 385 A CA 0.816 52.758 52.037 -0.159 0.000 0.683 385 A CB -0.477 18.364 19.000 -0.265 0.000 0.808 385 A HN 0.492 nan 8.150 nan 0.000 0.455 386 F N -1.723 118.181 119.950 -0.077 0.000 2.315 386 F HA 0.336 4.863 4.527 -0.000 0.000 0.284 386 F C 2.158 177.758 175.800 -0.333 0.000 1.049 386 F CA 1.075 58.961 58.000 -0.191 0.000 1.323 386 F CB 0.533 39.403 39.000 -0.217 0.000 1.113 386 F HN 0.364 nan 8.300 nan 0.000 0.544 387 G N -1.233 107.438 108.800 -0.216 0.000 3.655 387 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.219 387 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.219 387 G C 0.113 174.881 174.900 -0.220 0.000 0.933 387 G CA -0.620 44.319 45.100 -0.268 0.000 0.856 387 G HN 0.077 nan 8.290 nan 0.000 0.523 388 F N 2.586 122.598 119.950 0.103 0.000 2.408 388 F HA 0.572 5.099 4.527 -0.000 0.000 0.303 388 F C 1.330 177.175 175.800 0.075 0.000 1.268 388 F CA 0.377 58.420 58.000 0.072 0.000 1.218 388 F CB 0.694 39.738 39.000 0.074 0.000 1.283 388 F HN 0.249 nan 8.300 nan 0.000 0.545 389 S N -0.681 115.187 115.700 0.281 0.000 2.851 389 S HA 0.604 5.074 4.470 -0.000 0.000 0.317 389 S C -0.675 174.020 174.600 0.159 0.000 1.144 389 S CA -1.001 57.302 58.200 0.170 0.000 0.862 389 S CB 1.076 64.340 63.200 0.106 0.000 1.259 389 S HN 0.453 nan 8.310 nan 0.000 0.564 390 I N 2.680 123.314 120.570 0.107 0.000 2.268 390 I HA 0.180 4.350 4.170 -0.000 0.000 0.298 390 I C 0.099 176.237 176.117 0.034 0.000 1.185 390 I CA -0.373 60.983 61.300 0.094 0.000 1.548 390 I CB -1.136 36.891 38.000 0.046 0.000 1.492 390 I HN 0.426 nan 8.210 nan 0.000 0.711 391 N N 2.488 121.203 118.700 0.026 0.000 2.364 391 N HA 0.169 4.909 4.740 -0.000 0.000 0.264 391 N C 1.295 176.731 175.510 -0.123 0.000 1.263 391 N CA -0.121 52.898 53.050 -0.051 0.000 0.959 391 N CB 0.672 39.137 38.487 -0.036 0.000 1.204 391 N HN 0.240 nan 8.380 nan 0.000 0.550 392 T N 0.553 114.941 114.554 -0.277 0.000 2.867 392 T HA -0.008 4.342 4.350 -0.000 0.000 0.268 392 T C 1.921 176.420 174.700 -0.335 0.000 1.057 392 T CA 0.706 62.560 62.100 -0.409 0.000 1.136 392 T CB -0.077 68.339 68.868 -0.753 0.000 0.874 392 T HN 0.283 nan 8.240 nan 0.000 0.466 393 L N 1.055 122.134 121.223 -0.239 0.000 2.068 393 L HA -0.064 4.276 4.340 -0.000 0.000 0.204 393 L C 2.972 179.809 176.870 -0.055 0.000 1.076 393 L CA 1.488 56.169 54.840 -0.265 0.000 0.753 393 L CB -0.516 41.343 42.059 -0.334 0.000 0.910 393 L HN 0.391 nan 8.230 nan 0.000 0.439 394 T N -3.670 110.892 114.554 0.013 0.000 2.995 394 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 394 T C 1.777 176.590 174.700 0.189 0.000 1.091 394 T CA 0.581 62.753 62.100 0.120 0.000 1.128 394 T CB -0.045 68.862 68.868 0.065 0.000 0.891 394 T HN 0.046 nan 8.240 nan 0.000 0.492 395 M N 0.114 119.822 119.600 0.180 0.000 2.334 395 M HA 0.339 4.819 4.480 -0.000 0.000 0.266 395 M C 1.786 178.287 176.300 0.335 0.000 1.082 395 M CA 0.499 55.932 55.300 0.222 0.000 1.141 395 M CB -1.167 31.532 32.600 0.165 0.000 1.380 395 M HN 0.334 nan 8.290 nan 0.000 0.440 396 F N -0.154 119.867 119.950 0.119 0.000 2.502 396 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 396 F C 2.215 178.239 175.800 0.374 0.000 1.111 396 F CA 0.485 58.610 58.000 0.207 0.000 1.445 396 F CB -0.121 39.013 39.000 0.224 0.000 1.081 396 F HN 0.242 nan 8.300 nan 0.000 0.558 397 G N -0.471 108.695 108.800 0.609 0.000 2.464 397 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.217 397 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.217 397 G C 1.542 176.507 174.900 0.108 0.000 1.138 397 G CA 0.266 45.575 45.100 0.349 0.000 0.793 397 G HN 0.077 nan 8.290 nan 0.000 0.539 398 M N 0.763 120.421 119.600 0.098 0.000 2.319 398 M HA 0.058 4.538 4.480 -0.000 0.000 0.265 398 M C 2.547 178.826 176.300 -0.035 0.000 1.068 398 M CA 0.648 55.947 55.300 -0.002 0.000 1.118 398 M CB -0.806 31.793 32.600 -0.003 0.000 1.395 398 M HN 0.120 nan 8.290 nan 0.000 0.435 399 V N -0.143 119.750 119.914 -0.035 0.000 2.446 399 V HA -0.145 3.975 4.120 -0.000 0.000 0.244 399 V C 2.344 178.347 176.094 -0.151 0.000 1.039 399 V CA 0.859 63.086 62.300 -0.122 0.000 1.045 399 V CB -0.828 30.872 31.823 -0.206 0.000 0.681 399 V HN 0.299 nan 8.190 nan 0.000 0.459 400 L N 0.877 122.042 121.223 -0.098 0.000 2.275 400 L HA 0.068 4.408 4.340 -0.000 0.000 0.215 400 L C 2.301 179.135 176.870 -0.061 0.000 1.119 400 L CA 1.943 56.732 54.840 -0.085 0.000 0.790 400 L CB -0.721 41.291 42.059 -0.078 0.000 0.919 400 L HN 0.218 nan 8.230 nan 0.000 0.443 401 A N -0.544 122.241 122.820 -0.058 0.000 1.898 401 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 401 A C 2.205 179.745 177.584 -0.072 0.000 1.183 401 A CA 1.353 53.364 52.037 -0.044 0.000 0.622 401 A CB -0.681 18.294 19.000 -0.042 0.000 0.824 401 A HN 0.387 nan 8.150 nan 0.000 0.444 402 I N 0.275 120.778 120.570 -0.111 0.000 2.229 402 I HA -0.331 3.839 4.170 -0.000 0.000 0.250 402 I C 2.591 178.613 176.117 -0.159 0.000 1.096 402 I CA 1.350 62.572 61.300 -0.130 0.000 1.358 402 I CB -0.385 37.526 38.000 -0.147 0.000 1.047 402 I HN 0.414 nan 8.210 nan 0.000 0.422 403 G N 0.211 108.844 108.800 -0.277 0.000 2.433 403 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 403 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 403 G C 1.204 176.208 174.900 0.172 0.000 1.186 403 G CA 0.180 45.069 45.100 -0.352 0.000 0.779 403 G HN 0.326 nan 8.290 nan 0.000 0.543 404 L N 0.836 122.158 121.223 0.166 0.000 2.796 404 L HA 0.503 4.843 4.340 -0.000 0.000 0.235 404 L C 0.659 177.531 176.870 0.004 0.000 1.344 404 L CA -0.195 54.699 54.840 0.091 0.000 1.245 404 L CB -0.022 42.059 42.059 0.037 0.000 1.556 404 L HN 0.210 nan 8.230 nan 0.000 0.423 405 L N -1.514 119.708 121.223 -0.002 0.000 2.249 405 L HA 0.052 4.391 4.340 -0.000 0.000 0.204 405 L C 1.707 178.563 176.870 -0.023 0.000 1.135 405 L CA 0.228 55.051 54.840 -0.028 0.000 1.070 405 L CB 0.210 42.241 42.059 -0.046 0.000 2.194 405 L HN 0.107 nan 8.230 nan 0.000 0.504 406 V N -1.408 118.493 119.914 -0.023 0.000 2.809 406 V HA -0.187 3.933 4.120 -0.000 0.000 0.256 406 V C 1.882 177.970 176.094 -0.010 0.000 1.080 406 V CA 1.892 64.178 62.300 -0.022 0.000 1.102 406 V CB -0.818 30.985 31.823 -0.032 0.000 0.705 406 V HN 0.509 nan 8.190 nan 0.000 0.475 407 D N 1.196 121.604 120.400 0.014 0.000 2.106 407 D HA -0.302 4.338 4.640 -0.000 0.000 0.191 407 D C 1.966 178.264 176.300 -0.004 0.000 0.997 407 D CA 2.048 56.057 54.000 0.016 0.000 0.834 407 D CB -0.353 40.470 40.800 0.038 0.000 0.956 407 D HN 0.423 nan 8.370 nan 0.000 0.448 408 D N -0.889 119.506 120.400 -0.009 0.000 2.183 408 D HA -0.048 4.592 4.640 -0.000 0.000 0.203 408 D C 1.889 178.186 176.300 -0.005 0.000 0.969 408 D CA 1.115 55.108 54.000 -0.012 0.000 0.842 408 D CB -0.086 40.701 40.800 -0.021 0.000 0.957 408 D HN 0.336 nan 8.370 nan 0.000 0.484 409 A N 0.209 123.024 122.820 -0.009 0.000 2.066 409 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 409 A C 2.280 179.861 177.584 -0.006 0.000 1.157 409 A CA 0.393 52.426 52.037 -0.007 0.000 0.670 409 A CB -0.304 18.687 19.000 -0.015 0.000 0.804 409 A HN 0.241 nan 8.150 nan 0.000 0.453 410 I N -0.755 119.808 120.570 -0.012 0.000 2.480 410 I HA -0.128 4.042 4.170 -0.000 0.000 0.251 410 I C 2.162 178.281 176.117 0.003 0.000 1.124 410 I CA 0.574 61.862 61.300 -0.019 0.000 1.444 410 I CB 0.040 38.014 38.000 -0.043 0.000 1.098 410 I HN 0.134 nan 8.210 nan 0.000 0.428 411 V N 0.725 120.651 119.914 0.019 0.000 2.343 411 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 411 V C 2.437 178.572 176.094 0.067 0.000 1.051 411 V CA 1.817 64.150 62.300 0.056 0.000 1.036 411 V CB -0.670 31.194 31.823 0.068 0.000 0.654 411 V HN 0.306 nan 8.190 nan 0.000 0.451 412 V N -1.118 118.825 119.914 0.048 0.000 2.307 412 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 412 V C 2.332 178.450 176.094 0.041 0.000 1.045 412 V CA 1.603 63.932 62.300 0.050 0.000 1.024 412 V CB -0.928 30.918 31.823 0.038 0.000 0.651 412 V HN 0.343 nan 8.190 nan 0.000 0.449 413 V N 1.998 121.930 119.914 0.029 0.000 2.270 413 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 413 V C 2.740 178.850 176.094 0.026 0.000 1.043 413 V CA 2.447 64.762 62.300 0.024 0.000 1.014 413 V CB -0.786 31.044 31.823 0.011 0.000 0.645 413 V HN 0.839 nan 8.190 nan 0.000 0.447 414 E N 0.520 120.734 120.200 0.023 0.000 2.358 414 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 414 E C 1.687 178.300 176.600 0.022 0.000 1.010 414 E CA 1.652 58.069 56.400 0.028 0.000 0.856 414 E CB -0.762 28.953 29.700 0.025 0.000 0.795 414 E HN 0.666 nan 8.360 nan 0.000 0.504 415 N N -0.213 118.499 118.700 0.020 0.000 2.331 415 N HA -0.080 4.659 4.740 -0.000 0.000 0.180 415 N C 1.204 176.716 175.510 0.004 0.000 1.019 415 N CA 1.068 54.117 53.050 -0.002 0.000 0.881 415 N CB 0.224 38.727 38.487 0.026 0.000 0.972 415 N HN 0.106 nan 8.380 nan 0.000 0.435 416 V N 0.138 120.064 119.914 0.021 0.000 2.453 416 V HA -0.111 4.009 4.120 -0.000 0.000 0.247 416 V C 2.045 178.152 176.094 0.021 0.000 1.048 416 V CA 1.451 63.764 62.300 0.021 0.000 1.049 416 V CB -0.576 31.263 31.823 0.026 0.000 0.672 416 V HN 0.315 nan 8.190 nan 0.000 0.457 417 E N 0.576 120.793 120.200 0.029 0.000 2.204 417 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 417 E C 2.308 178.934 176.600 0.043 0.000 0.990 417 E CA 1.299 57.724 56.400 0.041 0.000 0.821 417 E CB -0.191 29.544 29.700 0.059 0.000 0.750 417 E HN 0.575 nan 8.360 nan 0.000 0.477 418 R N -0.497 120.018 120.500 0.026 0.000 2.062 418 R HA -0.069 4.271 4.340 -0.000 0.000 0.229 418 R C 1.861 178.168 176.300 0.012 0.000 1.128 418 R CA 1.510 57.621 56.100 0.019 0.000 0.960 418 R CB -0.261 30.025 30.300 -0.024 0.000 0.855 418 R HN 0.111 nan 8.270 nan 0.000 0.432 419 V N 1.450 121.365 119.914 0.002 0.000 2.913 419 V HA -0.104 4.016 4.120 -0.000 0.000 0.260 419 V C 1.616 177.714 176.094 0.007 0.000 1.098 419 V CA 1.277 63.578 62.300 0.002 0.000 1.121 419 V CB -0.347 31.477 31.823 0.001 0.000 0.714 419 V HN 0.382 nan 8.190 nan 0.000 0.487 420 M N -0.309 119.299 119.600 0.013 0.000 3.310 420 M HA 0.450 4.930 4.480 -0.000 0.000 0.233 420 M C 0.679 176.985 176.300 0.010 0.000 1.267 420 M CA 0.513 55.819 55.300 0.010 0.000 1.301 420 M CB 0.181 32.789 32.600 0.013 0.000 1.186 420 M HN 0.360 nan 8.290 nan 0.000 0.515 421 A N -0.755 122.071 122.820 0.010 0.000 2.511 421 A HA 0.020 4.339 4.320 -0.000 0.000 0.201 421 A C 1.386 178.974 177.584 0.007 0.000 1.628 421 A CA -0.062 51.979 52.037 0.007 0.000 1.578 421 A CB -0.210 18.807 19.000 0.028 0.000 1.443 421 A HN 0.351 nan 8.150 nan 0.000 0.514 422 E N 0.973 121.184 120.200 0.019 0.000 2.070 422 E HA -0.180 4.170 4.350 -0.000 0.000 0.197 422 E C 0.318 176.920 176.600 0.004 0.000 1.004 422 E CA 1.675 58.084 56.400 0.016 0.000 0.805 422 E CB 0.022 29.730 29.700 0.013 0.000 0.744 422 E HN 0.666 nan 8.360 nan 0.000 0.451 423 E N -0.709 119.492 120.200 0.001 0.000 3.386 423 E HA 0.224 4.574 4.350 -0.000 0.000 0.236 423 E C -0.518 176.080 176.600 -0.003 0.000 1.227 423 E CA -0.240 56.159 56.400 -0.002 0.000 0.970 423 E CB 0.579 30.278 29.700 -0.001 0.000 1.343 423 E HN 0.194 nan 8.360 nan 0.000 0.397 424 G N 2.815 111.611 108.800 -0.006 0.000 2.578 424 G HA2 0.025 3.985 3.960 -0.000 0.000 0.287 424 G HA3 0.025 3.985 3.960 -0.000 0.000 0.287 424 G C -0.081 174.815 174.900 -0.007 0.000 0.568 424 G CA 0.389 45.484 45.100 -0.008 0.000 1.150 424 G HN 0.547 nan 8.290 nan 0.000 0.251 425 L N 4.469 125.690 121.223 -0.004 0.000 2.752 425 L HA 0.159 4.499 4.340 -0.000 0.000 0.257 425 L C -2.050 174.820 176.870 -0.000 0.000 0.968 425 L CA -1.429 53.410 54.840 -0.003 0.000 0.953 425 L CB 3.026 45.084 42.059 -0.002 0.000 1.286 425 L HN 0.312 nan 8.230 nan 0.000 0.443 426 P HA 0.029 nan 4.420 nan 0.000 0.229 426 P C -1.992 175.309 177.300 0.000 0.000 1.160 426 P CA 0.269 63.369 63.100 0.001 0.000 0.777 426 P CB -0.629 31.070 31.700 -0.001 0.000 0.814 427 P HA 0.078 nan 4.420 nan 0.000 0.293 427 P C 0.825 178.123 177.300 -0.003 0.000 1.298 427 P CA -0.085 63.012 63.100 -0.004 0.000 0.757 427 P CB 0.984 32.681 31.700 -0.006 0.000 1.262 428 K N -0.358 120.038 120.400 -0.006 0.000 2.209 428 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 428 K C 1.767 178.367 176.600 -0.000 0.000 1.048 428 K CA 1.525 57.809 56.287 -0.005 0.000 0.940 428 K CB -0.148 32.345 32.500 -0.012 0.000 0.729 428 K HN 0.384 nan 8.250 nan 0.000 0.451 429 E N 0.528 120.728 120.200 -0.001 0.000 2.274 429 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 429 E C 1.684 178.288 176.600 0.006 0.000 0.996 429 E CA 0.748 57.149 56.400 0.002 0.000 0.840 429 E CB 0.011 29.711 29.700 0.000 0.000 0.772 429 E HN 0.311 nan 8.360 nan 0.000 0.491 430 A N -0.045 122.778 122.820 0.006 0.000 1.929 430 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 430 A C 2.202 179.794 177.584 0.013 0.000 1.176 430 A CA 1.596 53.638 52.037 0.008 0.000 0.628 430 A CB -0.574 18.430 19.000 0.007 0.000 0.816 430 A HN 0.230 nan 8.150 nan 0.000 0.444 431 T N -0.966 113.596 114.554 0.014 0.000 2.951 431 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 431 T C 1.984 176.697 174.700 0.022 0.000 1.073 431 T CA 1.322 63.434 62.100 0.020 0.000 1.134 431 T CB -0.092 68.787 68.868 0.019 0.000 0.884 431 T HN 0.523 nan 8.240 nan 0.000 0.479 432 R N 0.836 121.347 120.500 0.017 0.000 2.066 432 R HA 0.088 4.428 4.340 -0.000 0.000 0.224 432 R C 1.864 178.177 176.300 0.021 0.000 1.122 432 R CA 0.967 57.077 56.100 0.018 0.000 0.974 432 R CB 0.080 30.387 30.300 0.012 0.000 0.871 432 R HN 0.010 nan 8.270 nan 0.000 0.435 433 K N 0.001 120.413 120.400 0.020 0.000 2.418 433 K HA 0.036 4.356 4.320 -0.000 0.000 0.195 433 K C 1.746 178.366 176.600 0.033 0.000 1.035 433 K CA 0.930 57.231 56.287 0.023 0.000 1.003 433 K CB 0.391 32.901 32.500 0.017 0.000 0.793 433 K HN 0.248 nan 8.250 nan 0.000 0.494 434 S N 0.717 116.437 115.700 0.034 0.000 2.371 434 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 434 S C 1.672 176.319 174.600 0.078 0.000 1.029 434 S CA 1.010 59.238 58.200 0.045 0.000 0.978 434 S CB -0.409 62.812 63.200 0.035 0.000 0.833 434 S HN 0.430 nan 8.310 nan 0.000 0.466 435 M N 0.454 120.091 119.600 0.062 0.000 2.631 435 M HA 0.505 4.985 4.480 -0.000 0.000 0.241 435 M C 1.420 177.747 176.300 0.045 0.000 1.255 435 M CA 0.252 55.590 55.300 0.063 0.000 0.983 435 M CB -0.296 32.331 32.600 0.045 0.000 1.580 435 M HN 0.259 nan 8.290 nan 0.000 0.464 436 G N 0.866 109.696 108.800 0.049 0.000 2.453 436 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.215 436 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.215 436 G C 1.559 176.486 174.900 0.045 0.000 1.147 436 G CA 0.192 45.313 45.100 0.034 0.000 0.802 436 G HN 0.580 nan 8.290 nan 0.000 0.535 437 Q N -0.355 119.507 119.800 0.104 0.000 2.204 437 Q HA 0.162 4.502 4.340 -0.000 0.000 0.198 437 Q C 2.522 178.574 176.000 0.087 0.000 0.946 437 Q CA 0.473 56.373 55.803 0.160 0.000 0.859 437 Q CB 0.151 29.116 28.738 0.378 0.000 0.946 437 Q HN 0.519 nan 8.270 nan 0.000 0.474 438 I N 0.833 121.481 120.570 0.130 0.000 2.406 438 I HA -0.200 3.970 4.170 -0.000 0.000 0.249 438 I C 2.663 178.755 176.117 -0.041 0.000 1.122 438 I CA 0.708 62.036 61.300 0.046 0.000 1.431 438 I CB -0.283 37.801 38.000 0.140 0.000 1.087 438 I HN 0.154 nan 8.210 nan 0.000 0.424 439 Q N 1.721 121.508 119.800 -0.021 0.000 2.135 439 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 439 Q C 2.178 178.126 176.000 -0.086 0.000 0.981 439 Q CA 2.133 57.912 55.803 -0.041 0.000 0.856 439 Q CB -0.394 28.329 28.738 -0.024 0.000 0.902 439 Q HN 0.555 nan 8.270 nan 0.000 0.425 440 G N 0.443 109.174 108.800 -0.117 0.000 2.440 440 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 440 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 440 G C 1.500 176.262 174.900 -0.230 0.000 1.154 440 G CA 1.376 46.366 45.100 -0.184 0.000 0.767 440 G HN 0.531 nan 8.290 nan 0.000 0.552 441 A N 0.372 123.068 122.820 -0.208 0.000 1.897 441 A HA 0.219 4.539 4.320 -0.000 0.000 0.215 441 A C 2.409 179.930 177.584 -0.106 0.000 1.181 441 A CA 0.988 52.925 52.037 -0.167 0.000 0.620 441 A CB -0.355 18.524 19.000 -0.202 0.000 0.821 441 A HN 0.334 nan 8.150 nan 0.000 0.443 442 L N -0.268 120.900 121.223 -0.092 0.000 2.127 442 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 442 L C 2.279 179.116 176.870 -0.054 0.000 1.089 442 L CA 1.035 55.840 54.840 -0.059 0.000 0.757 442 L CB -0.348 41.687 42.059 -0.041 0.000 0.899 442 L HN 0.284 nan 8.230 nan 0.000 0.434 443 V N -0.955 118.920 119.914 -0.066 0.000 2.725 443 V HA 0.012 4.132 4.120 -0.000 0.000 0.247 443 V C 2.503 178.565 176.094 -0.053 0.000 1.058 443 V CA 1.387 63.653 62.300 -0.056 0.000 1.080 443 V CB -0.646 31.140 31.823 -0.062 0.000 0.713 443 V HN 0.480 nan 8.190 nan 0.000 0.465 444 G N 1.707 110.466 108.800 -0.068 0.000 2.402 444 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 444 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 444 G C 1.540 176.451 174.900 0.020 0.000 1.162 444 G CA 1.239 46.330 45.100 -0.016 0.000 0.777 444 G HN 0.664 nan 8.290 nan 0.000 0.539 445 I N -0.425 120.142 120.570 -0.004 0.000 2.493 445 I HA 0.175 4.345 4.170 -0.000 0.000 0.254 445 I C 2.654 178.744 176.117 -0.046 0.000 1.160 445 I CA 1.416 62.701 61.300 -0.025 0.000 1.445 445 I CB -0.383 37.591 38.000 -0.042 0.000 1.086 445 I HN 0.089 nan 8.210 nan 0.000 0.433 446 A N 0.576 123.371 122.820 -0.042 0.000 1.968 446 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 446 A C 2.394 179.956 177.584 -0.036 0.000 1.169 446 A CA 1.726 53.736 52.037 -0.045 0.000 0.638 446 A CB -0.582 18.397 19.000 -0.034 0.000 0.812 446 A HN 0.553 nan 8.150 nan 0.000 0.446 447 M N -0.147 119.440 119.600 -0.021 0.000 2.447 447 M HA -0.036 4.444 4.480 -0.000 0.000 0.264 447 M C 1.709 178.006 176.300 -0.005 0.000 1.095 447 M CA 1.096 56.392 55.300 -0.006 0.000 1.125 447 M CB 0.217 32.819 32.600 0.004 0.000 1.389 447 M HN 0.392 nan 8.290 nan 0.000 0.459 448 V N -3.383 116.522 119.914 -0.016 0.000 3.174 448 V HA -0.009 4.111 4.120 -0.000 0.000 0.254 448 V C 1.811 177.875 176.094 -0.050 0.000 1.120 448 V CA 0.378 62.667 62.300 -0.018 0.000 1.114 448 V CB -0.570 31.241 31.823 -0.020 0.000 0.756 448 V HN 0.315 nan 8.190 nan 0.000 0.467 449 L N 1.366 122.532 121.223 -0.096 0.000 2.313 449 L HA 0.086 4.426 4.340 -0.000 0.000 0.214 449 L C 2.541 179.322 176.870 -0.149 0.000 1.119 449 L CA 2.191 56.915 54.840 -0.194 0.000 0.809 449 L CB -0.411 41.496 42.059 -0.254 0.000 0.933 449 L HN 0.633 nan 8.230 nan 0.000 0.449 450 S N -0.832 114.830 115.700 -0.064 0.000 2.603 450 S HA 0.083 4.553 4.470 -0.000 0.000 0.220 450 S C 1.630 176.241 174.600 0.018 0.000 0.967 450 S CA 0.692 58.885 58.200 -0.012 0.000 0.920 450 S CB 0.233 63.431 63.200 -0.004 0.000 0.773 450 S HN 0.370 nan 8.310 nan 0.000 0.529 451 A N 0.414 123.247 122.820 0.022 0.000 2.259 451 A HA 0.396 4.716 4.320 -0.000 0.000 0.213 451 A C 1.940 179.564 177.584 0.067 0.000 1.209 451 A CA 0.562 52.627 52.037 0.047 0.000 0.910 451 A CB -0.196 18.833 19.000 0.048 0.000 0.946 451 A HN 0.770 nan 8.150 nan 0.000 0.497 452 V N -4.331 115.631 119.914 0.079 0.000 2.599 452 V HA 0.122 4.242 4.120 -0.000 0.000 0.245 452 V C 1.981 178.220 176.094 0.241 0.000 1.046 452 V CA 1.155 63.541 62.300 0.143 0.000 1.065 452 V CB -0.949 30.960 31.823 0.143 0.000 0.703 452 V HN 0.220 nan 8.190 nan 0.000 0.464 453 F N 0.900 120.811 119.950 -0.066 0.000 2.274 453 F HA 0.254 4.781 4.527 -0.000 0.000 0.288 453 F C 2.408 178.138 175.800 -0.117 0.000 1.069 453 F CA 0.947 58.893 58.000 -0.090 0.000 1.343 453 F CB -0.572 38.379 39.000 -0.082 0.000 1.089 453 F HN -0.053 nan 8.300 nan 0.000 0.517 454 V N 1.842 121.794 119.914 0.063 0.000 2.307 454 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 454 V C -0.458 175.451 176.094 -0.308 0.000 1.045 454 V CA 1.918 64.145 62.300 -0.121 0.000 1.024 454 V CB -2.022 29.735 31.823 -0.109 0.000 0.651 454 V HN 0.142 nan 8.190 nan 0.000 0.449 455 P HA -0.166 nan 4.420 nan 0.000 0.221 455 P C 1.848 179.128 177.300 -0.034 0.000 1.150 455 P CA 1.400 64.477 63.100 -0.038 0.000 0.800 455 P CB -0.140 31.625 31.700 0.108 0.000 0.787 456 M N -0.135 119.396 119.600 -0.116 0.000 2.296 456 M HA -0.017 4.463 4.480 -0.000 0.000 0.265 456 M C 1.021 177.261 176.300 -0.101 0.000 1.064 456 M CA 1.260 56.442 55.300 -0.196 0.000 1.109 456 M CB -0.333 32.075 32.600 -0.320 0.000 1.396 456 M HN -0.157 nan 8.290 nan 0.000 0.430 457 A N -0.305 122.452 122.820 -0.104 0.000 3.105 457 A HA 0.210 4.530 4.320 -0.000 0.000 0.272 457 A C -0.203 177.406 177.584 0.041 0.000 1.466 457 A CA -0.319 51.728 52.037 0.017 0.000 1.101 457 A CB -1.020 17.946 19.000 -0.057 0.000 1.065 457 A HN 0.452 nan 8.150 nan 0.000 0.643 458 F N 0.522 120.531 119.950 0.098 0.000 2.791 458 F HA 0.270 4.797 4.527 -0.000 0.000 0.308 458 F C 0.369 175.920 175.800 -0.414 0.000 1.138 458 F CA -2.255 55.625 58.000 -0.200 0.000 1.294 458 F CB -0.874 38.016 39.000 -0.183 0.000 0.975 458 F HN 0.418 nan 8.300 nan 0.000 0.512 459 F N -0.299 119.766 119.950 0.192 0.000 1.907 459 F HA 0.109 4.636 4.527 -0.000 0.000 0.334 459 F C 0.409 176.274 175.800 0.109 0.000 0.631 459 F CA -0.187 57.900 58.000 0.146 0.000 0.867 459 F CB -0.795 38.275 39.000 0.118 0.000 0.792 459 F HN 0.219 nan 8.300 nan 0.000 0.584 460 G N 2.337 111.247 108.800 0.184 0.000 2.738 460 G HA2 0.742 4.702 3.960 -0.000 0.000 0.281 460 G HA3 0.742 4.702 3.960 -0.000 0.000 0.281 460 G C -0.147 174.793 174.900 0.067 0.000 1.527 460 G CA 0.125 45.269 45.100 0.073 0.000 1.132 460 G HN 2.283 nan 8.290 nan 0.000 0.569 461 G N 1.050 109.908 108.800 0.097 0.000 2.378 461 G HA2 0.063 4.023 3.960 -0.000 0.000 0.198 461 G HA3 0.063 4.023 3.960 -0.000 0.000 0.198 461 G C 1.163 176.103 174.900 0.067 0.000 1.223 461 G CA 0.453 45.587 45.100 0.057 0.000 1.088 461 G HN 1.386 nan 8.290 nan 0.000 0.530 462 S N -0.626 115.090 115.700 0.028 0.000 2.474 462 S HA 0.074 4.544 4.470 -0.000 0.000 0.235 462 S C 1.483 176.085 174.600 0.003 0.000 0.997 462 S CA 2.106 60.322 58.200 0.026 0.000 0.949 462 S CB -0.364 62.847 63.200 0.017 0.000 0.766 462 S HN 0.976 nan 8.310 nan 0.000 0.517 463 T N 1.708 116.230 114.554 -0.054 0.000 4.098 463 T HA 0.382 4.732 4.350 -0.000 0.000 0.291 463 T C 1.100 175.822 174.700 0.038 0.000 1.440 463 T CA 0.082 62.149 62.100 -0.056 0.000 1.164 463 T CB 0.467 69.197 68.868 -0.230 0.000 1.313 463 T HN 0.416 nan 8.240 nan 0.000 0.951 464 G N 1.231 110.064 108.800 0.054 0.000 2.524 464 G HA2 0.233 4.193 3.960 -0.000 0.000 0.210 464 G HA3 0.233 4.193 3.960 -0.000 0.000 0.210 464 G C 1.153 175.987 174.900 -0.110 0.000 1.187 464 G CA 0.166 45.306 45.100 0.067 0.000 0.825 464 G HN 0.612 nan 8.290 nan 0.000 0.558 465 A N -0.411 122.349 122.820 -0.101 0.000 2.640 465 A HA 0.578 4.898 4.320 -0.000 0.000 0.282 465 A C 1.320 178.834 177.584 -0.117 0.000 1.357 465 A CA -0.112 51.844 52.037 -0.134 0.000 0.946 465 A CB -0.131 18.828 19.000 -0.069 0.000 1.065 465 A HN 0.233 nan 8.150 nan 0.000 0.541 466 I N -2.190 118.316 120.570 -0.106 0.000 2.962 466 I HA 0.083 4.253 4.170 -0.000 0.000 0.246 466 I C 1.797 177.843 176.117 -0.119 0.000 1.091 466 I CA 1.162 62.350 61.300 -0.186 0.000 1.469 466 I CB -0.569 37.300 38.000 -0.218 0.000 1.324 466 I HN 0.487 nan 8.210 nan 0.000 0.461 467 Y N 0.132 120.449 120.300 0.028 0.000 2.475 467 Y HA 0.010 4.560 4.550 -0.000 0.000 0.289 467 Y C 2.606 178.511 175.900 0.009 0.000 1.121 467 Y CA 0.159 58.278 58.100 0.032 0.000 1.257 467 Y CB 0.051 38.532 38.460 0.035 0.000 1.026 467 Y HN 0.060 nan 8.280 nan 0.000 0.555 468 R N 1.081 121.660 120.500 0.132 0.000 2.064 468 R HA -0.189 4.151 4.340 -0.000 0.000 0.228 468 R C 1.809 178.041 176.300 -0.113 0.000 1.144 468 R CA 1.900 58.001 56.100 0.002 0.000 0.932 468 R CB -0.393 29.732 30.300 -0.291 0.000 0.833 468 R HN 0.373 nan 8.270 nan 0.000 0.429 469 Q N -0.508 119.182 119.800 -0.184 0.000 2.291 469 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 469 Q C 1.819 177.835 176.000 0.027 0.000 0.976 469 Q CA 1.015 56.661 55.803 -0.261 0.000 0.875 469 Q CB -0.060 28.514 28.738 -0.274 0.000 0.927 469 Q HN 0.446 nan 8.270 nan 0.000 0.450 470 F N -0.081 119.778 119.950 -0.151 0.000 2.664 470 F HA -0.178 4.349 4.527 -0.000 0.000 0.297 470 F C 2.086 177.699 175.800 -0.311 0.000 1.164 470 F CA 0.281 58.190 58.000 -0.150 0.000 1.472 470 F CB 0.342 39.305 39.000 -0.062 0.000 1.108 470 F HN 0.122 nan 8.300 nan 0.000 0.596 471 S N -0.409 115.206 115.700 -0.143 0.000 3.952 471 S HA -0.047 4.423 4.470 -0.000 0.000 0.211 471 S C 1.555 176.172 174.600 0.028 0.000 1.098 471 S CA 0.201 58.306 58.200 -0.158 0.000 0.954 471 S CB -0.887 62.210 63.200 -0.171 0.000 1.222 471 S HN 0.129 nan 8.310 nan 0.000 0.585 472 I N 3.200 123.736 120.570 -0.056 0.000 2.290 472 I HA -0.158 4.012 4.170 -0.000 0.000 0.253 472 I C 1.972 178.060 176.117 -0.047 0.000 1.112 472 I CA 2.506 63.766 61.300 -0.066 0.000 1.377 472 I CB -0.906 37.014 38.000 -0.134 0.000 1.060 472 I HN 0.518 nan 8.210 nan 0.000 0.428 473 T N 1.088 115.582 114.554 -0.099 0.000 2.643 473 T HA -0.090 4.260 4.350 -0.000 0.000 0.264 473 T C 1.876 176.591 174.700 0.024 0.000 1.045 473 T CA 2.278 64.355 62.100 -0.039 0.000 1.155 473 T CB -0.371 68.485 68.868 -0.019 0.000 0.863 473 T HN 0.412 nan 8.240 nan 0.000 0.420 474 I N 0.836 121.446 120.570 0.066 0.000 3.111 474 I HA -0.016 4.154 4.170 -0.000 0.000 0.272 474 I C 2.112 178.283 176.117 0.091 0.000 1.268 474 I CA 0.335 61.693 61.300 0.096 0.000 1.467 474 I CB -0.150 37.973 38.000 0.206 0.000 1.087 474 I HN 0.078 nan 8.210 nan 0.000 0.467 475 V N 0.662 120.645 119.914 0.116 0.000 2.649 475 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 475 V C 2.602 178.721 176.094 0.042 0.000 1.054 475 V CA 1.912 64.256 62.300 0.073 0.000 1.073 475 V CB -0.134 31.747 31.823 0.097 0.000 0.699 475 V HN 0.581 nan 8.190 nan 0.000 0.463 476 S N 1.236 116.972 115.700 0.060 0.000 2.383 476 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 476 S C 2.068 176.683 174.600 0.024 0.000 1.026 476 S CA 1.255 59.498 58.200 0.070 0.000 0.981 476 S CB -0.463 62.807 63.200 0.116 0.000 0.818 476 S HN 0.527 nan 8.310 nan 0.000 0.472 477 A N 2.318 125.138 122.820 -0.001 0.000 2.067 477 A HA 0.119 4.439 4.320 -0.000 0.000 0.219 477 A C 2.288 179.850 177.584 -0.037 0.000 1.158 477 A CA 1.419 53.437 52.037 -0.033 0.000 0.661 477 A CB -0.786 18.185 19.000 -0.049 0.000 0.801 477 A HN 0.798 nan 8.150 nan 0.000 0.452 478 M N -0.740 118.837 119.600 -0.039 0.000 2.123 478 M HA 0.048 4.528 4.480 -0.000 0.000 0.263 478 M C 2.014 178.293 176.300 -0.036 0.000 1.069 478 M CA 1.887 57.151 55.300 -0.059 0.000 1.133 478 M CB -0.234 32.310 32.600 -0.094 0.000 1.356 478 M HN 0.227 nan 8.290 nan 0.000 0.415 479 A N 0.404 123.215 122.820 -0.015 0.000 2.119 479 A HA 0.155 4.475 4.320 -0.000 0.000 0.216 479 A C 1.949 179.533 177.584 -0.001 0.000 1.152 479 A CA 0.678 52.713 52.037 -0.002 0.000 0.708 479 A CB -0.664 18.347 19.000 0.019 0.000 0.805 479 A HN 0.615 nan 8.150 nan 0.000 0.460 480 L N -0.103 121.117 121.223 -0.006 0.000 2.375 480 L HA -0.038 4.302 4.340 -0.000 0.000 0.215 480 L C 2.631 179.489 176.870 -0.021 0.000 1.108 480 L CA 1.128 55.961 54.840 -0.011 0.000 0.830 480 L CB 0.008 42.057 42.059 -0.016 0.000 0.959 480 L HN 0.527 nan 8.230 nan 0.000 0.457 481 S N -1.746 113.938 115.700 -0.027 0.000 2.478 481 S HA -0.007 4.463 4.470 -0.000 0.000 0.222 481 S C 1.663 176.250 174.600 -0.022 0.000 1.008 481 S CA 0.232 58.415 58.200 -0.029 0.000 0.928 481 S CB -0.043 63.135 63.200 -0.037 0.000 0.781 481 S HN 0.116 nan 8.310 nan 0.000 0.518 482 V N 1.476 121.378 119.914 -0.021 0.000 2.788 482 V HA 0.179 4.299 4.120 -0.000 0.000 0.251 482 V C 2.234 178.324 176.094 -0.007 0.000 1.068 482 V CA 0.942 63.233 62.300 -0.016 0.000 1.090 482 V CB -0.561 31.250 31.823 -0.020 0.000 0.710 482 V HN 0.434 nan 8.190 nan 0.000 0.467 483 L N -0.700 120.520 121.223 -0.004 0.000 2.240 483 L HA -0.022 4.318 4.340 -0.000 0.000 0.211 483 L C 2.143 179.015 176.870 0.003 0.000 1.106 483 L CA 0.725 55.566 54.840 0.003 0.000 0.793 483 L CB -0.112 41.949 42.059 0.004 0.000 0.927 483 L HN 0.177 nan 8.230 nan 0.000 0.446 484 V N -0.731 119.180 119.914 -0.006 0.000 3.406 484 V HA 0.032 4.152 4.120 -0.000 0.000 0.263 484 V C 2.060 178.156 176.094 0.003 0.000 1.172 484 V CA 1.210 63.505 62.300 -0.008 0.000 1.140 484 V CB 0.311 32.120 31.823 -0.024 0.000 0.784 484 V HN 0.410 nan 8.190 nan 0.000 0.467 485 A N -1.201 121.621 122.820 0.003 0.000 2.197 485 A HA 0.310 4.630 4.320 -0.000 0.000 0.210 485 A C 1.861 179.454 177.584 0.016 0.000 1.180 485 A CA 0.325 52.367 52.037 0.009 0.000 0.846 485 A CB 0.121 19.122 19.000 0.000 0.000 0.884 485 A HN 0.446 nan 8.150 nan 0.000 0.487 486 L N -0.559 120.673 121.223 0.015 0.000 2.316 486 L HA 0.321 4.661 4.340 -0.000 0.000 0.207 486 L C 0.350 177.240 176.870 0.033 0.000 1.070 486 L CA 0.348 55.199 54.840 0.019 0.000 0.820 486 L CB 0.050 42.116 42.059 0.011 0.000 0.992 486 L HN 0.232 nan 8.230 nan 0.000 0.466 487 I N -1.246 119.346 120.570 0.037 0.000 2.924 487 I HA 0.202 4.372 4.170 -0.000 0.000 0.316 487 I C 0.793 176.948 176.117 0.063 0.000 1.014 487 I CA -0.634 60.701 61.300 0.058 0.000 1.106 487 I CB 1.578 39.613 38.000 0.058 0.000 1.311 487 I HN -0.053 nan 8.210 nan 0.000 0.502 488 L N 1.517 122.800 121.223 0.099 0.000 3.542 488 L HA -0.366 3.974 4.340 -0.000 0.000 0.060 488 L C 1.650 178.592 176.870 0.120 0.000 4.389 488 L CA 2.888 57.800 54.840 0.120 0.000 0.557 488 L CB -2.091 39.993 42.059 0.042 0.000 3.528 488 L HN 0.829 nan 8.230 nan 0.000 0.847 489 T N 1.369 115.967 114.554 0.073 0.000 2.684 489 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 489 T C -0.762 173.978 174.700 0.068 0.000 1.036 489 T CA 2.163 64.302 62.100 0.066 0.000 1.148 489 T CB -1.103 67.789 68.868 0.039 0.000 0.863 489 T HN 0.559 nan 8.240 nan 0.000 0.436 490 P HA -0.160 nan 4.420 nan 0.000 0.217 490 P C 1.500 178.835 177.300 0.058 0.000 1.158 490 P CA 1.707 64.839 63.100 0.052 0.000 0.887 490 P CB -0.282 31.447 31.700 0.048 0.000 0.792 491 A N -0.866 122.002 122.820 0.080 0.000 1.855 491 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 491 A C 2.332 179.961 177.584 0.075 0.000 1.191 491 A CA 1.416 53.499 52.037 0.077 0.000 0.613 491 A CB -1.628 17.444 19.000 0.120 0.000 0.829 491 A HN 0.167 nan 8.150 nan 0.000 0.442 492 L N -0.698 120.605 121.223 0.133 0.000 2.201 492 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 492 L C 2.428 179.345 176.870 0.078 0.000 1.105 492 L CA 1.268 56.190 54.840 0.137 0.000 0.775 492 L CB -0.233 41.962 42.059 0.226 0.000 0.913 492 L HN 0.526 nan 8.230 nan 0.000 0.440 493 C N -1.152 118.187 119.300 0.064 0.000 2.466 493 C HA -0.033 4.427 4.460 -0.000 0.000 0.278 493 C C 2.969 177.976 174.990 0.029 0.000 1.288 493 C CA 0.644 59.689 59.018 0.045 0.000 1.722 493 C CB -1.012 26.752 27.740 0.041 0.000 2.017 493 C HN 0.689 nan 8.230 nan 0.000 0.488 494 A N 0.146 122.980 122.820 0.022 0.000 1.874 494 A HA -0.103 4.217 4.320 -0.000 0.000 0.214 494 A C 2.197 179.778 177.584 -0.006 0.000 1.189 494 A CA 2.253 54.295 52.037 0.007 0.000 0.615 494 A CB -1.222 17.779 19.000 0.002 0.000 0.830 494 A HN 0.501 nan 8.150 nan 0.000 0.443 495 T N -0.943 113.602 114.554 -0.016 0.000 2.665 495 T HA -0.061 4.289 4.350 -0.000 0.000 0.268 495 T C 0.771 175.454 174.700 -0.028 0.000 1.035 495 T CA 1.673 63.748 62.100 -0.042 0.000 1.151 495 T CB -0.153 68.669 68.868 -0.077 0.000 0.862 495 T HN 0.345 nan 8.240 nan 0.000 0.438 496 M N 0.444 120.042 119.600 -0.004 0.000 2.182 496 M HA 0.396 4.876 4.480 -0.000 0.000 0.266 496 M C -1.614 174.704 176.300 0.031 0.000 0.989 496 M CA -0.381 54.926 55.300 0.011 0.000 1.003 496 M CB 1.792 34.400 32.600 0.013 0.000 1.812 496 M HN 0.117 nan 8.290 nan 0.000 0.472 497 L N 3.761 125.001 121.223 0.029 0.000 3.878 497 L HA 0.539 4.879 4.340 -0.000 0.000 0.207 497 L C 0.021 176.914 176.870 0.038 0.000 1.209 497 L CA 0.667 55.529 54.840 0.037 0.000 1.453 497 L CB -0.204 41.873 42.059 0.030 0.000 1.818 497 L HN 0.677 nan 8.230 nan 0.000 0.806 514 G N -0.437 108.632 108.800 0.450 0.000 2.985 514 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.209 514 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.209 514 G C 0.337 175.521 174.900 0.473 0.000 1.165 514 G CA 0.074 45.407 45.100 0.388 0.000 0.776 514 G HN 0.557 nan 8.290 nan 0.000 0.541 515 W N 0.259 121.669 121.300 0.182 0.000 2.443 515 W HA 0.286 4.946 4.660 -0.000 0.000 0.296 515 W C 1.890 178.367 176.519 -0.069 0.000 1.202 515 W CA -0.091 57.247 57.345 -0.013 0.000 1.312 515 W CB -1.016 28.351 29.460 -0.155 0.000 1.120 515 W HN 0.177 nan 8.180 nan 0.000 0.536 516 F N 1.279 121.399 119.950 0.284 0.000 2.206 516 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 516 F C 2.080 178.018 175.800 0.230 0.000 1.090 516 F CA 1.218 59.347 58.000 0.215 0.000 1.323 516 F CB -0.936 38.180 39.000 0.193 0.000 1.028 516 F HN -0.149 nan 8.300 nan 0.000 0.492 517 N N 0.104 119.018 118.700 0.358 0.000 2.289 517 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 517 N C 1.892 177.516 175.510 0.189 0.000 1.016 517 N CA 0.821 54.011 53.050 0.234 0.000 0.872 517 N CB -0.320 38.273 38.487 0.176 0.000 0.973 517 N HN 0.293 nan 8.380 nan 0.000 0.433 518 R N -0.011 120.576 120.500 0.146 0.000 2.062 518 R HA 0.121 4.461 4.340 -0.000 0.000 0.229 518 R C 2.196 178.503 176.300 0.011 0.000 1.128 518 R CA 0.738 56.871 56.100 0.055 0.000 0.960 518 R CB -0.127 30.163 30.300 -0.016 0.000 0.855 518 R HN 0.111 nan 8.270 nan 0.000 0.432 519 M N -0.455 119.125 119.600 -0.033 0.000 2.159 519 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 519 M C 1.343 177.547 176.300 -0.159 0.000 1.063 519 M CA 1.723 56.915 55.300 -0.179 0.000 1.110 519 M CB -0.165 32.221 32.600 -0.356 0.000 1.374 519 M HN 0.111 nan 8.290 nan 0.000 0.411 520 F N 0.024 119.947 119.950 -0.045 0.000 2.456 520 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 520 F C 2.431 178.200 175.800 -0.052 0.000 1.104 520 F CA 0.841 58.820 58.000 -0.034 0.000 1.435 520 F CB -0.267 38.731 39.000 -0.004 0.000 1.078 520 F HN 0.267 nan 8.300 nan 0.000 0.546 521 E N 0.401 120.682 120.200 0.135 0.000 2.107 521 E HA -0.184 4.165 4.350 -0.000 0.000 0.191 521 E C 1.834 178.523 176.600 0.149 0.000 0.982 521 E CA 0.974 57.441 56.400 0.111 0.000 0.809 521 E CB 0.181 29.983 29.700 0.169 0.000 0.756 521 E HN 0.288 nan 8.360 nan 0.000 0.459 522 K N -0.017 120.432 120.400 0.082 0.000 2.062 522 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 522 K C 2.171 178.829 176.600 0.097 0.000 1.051 522 K CA 1.041 57.384 56.287 0.094 0.000 0.941 522 K CB -0.252 32.220 32.500 -0.047 0.000 0.719 522 K HN -0.106 nan 8.250 nan 0.000 0.440 523 S N -0.337 115.347 115.700 -0.025 0.000 2.423 523 S HA -0.100 4.369 4.470 -0.000 0.000 0.231 523 S C 1.586 176.219 174.600 0.055 0.000 1.014 523 S CA 1.667 59.848 58.200 -0.032 0.000 0.965 523 S CB -0.181 62.891 63.200 -0.214 0.000 0.785 523 S HN 0.340 nan 8.310 nan 0.000 0.495 524 T N 0.450 114.999 114.554 -0.008 0.000 2.904 524 T HA 0.190 4.540 4.350 -0.000 0.000 0.243 524 T C 0.772 175.452 174.700 -0.033 0.000 1.024 524 T CA 0.682 62.737 62.100 -0.075 0.000 1.158 524 T CB -0.279 68.441 68.868 -0.246 0.000 0.867 524 T HN 0.561 nan 8.240 nan 0.000 0.429 525 H N -0.505 118.614 119.070 0.081 0.000 2.689 525 H HA 0.315 4.871 4.556 -0.000 0.000 0.240 525 H C 1.299 176.669 175.328 0.071 0.000 1.561 525 H CA -0.633 55.411 56.048 -0.007 0.000 1.600 525 H CB 0.229 29.913 29.762 -0.129 0.000 1.620 525 H HN 0.190 nan 8.280 nan 0.000 0.865 526 H N -1.220 117.981 119.070 0.218 0.000 1.455 526 H HA -0.401 4.155 4.556 -0.000 0.000 0.090 526 H C 1.927 177.358 175.328 0.172 0.000 0.566 526 H CA 2.471 58.616 56.048 0.161 0.000 1.901 526 H CB -1.658 28.194 29.762 0.150 0.000 2.257 526 H HN 0.703 nan 8.280 nan 0.000 0.961 527 Y N 1.835 122.263 120.300 0.214 0.000 2.062 527 Y HA -0.185 4.365 4.550 -0.000 0.000 0.272 527 Y C 2.931 178.903 175.900 0.121 0.000 1.117 527 Y CA 2.813 61.014 58.100 0.168 0.000 1.095 527 Y CB -0.734 37.750 38.460 0.041 0.000 0.985 527 Y HN 0.358 nan 8.280 nan 0.000 0.479 528 T N 0.165 114.738 114.554 0.032 0.000 2.962 528 T HA -0.123 4.227 4.350 -0.000 0.000 0.270 528 T C 1.161 175.775 174.700 -0.143 0.000 1.088 528 T CA 1.460 63.476 62.100 -0.141 0.000 1.127 528 T CB -0.360 68.542 68.868 0.057 0.000 0.883 528 T HN 0.348 nan 8.240 nan 0.000 0.493 529 D N 1.289 121.659 120.400 -0.049 0.000 2.144 529 D HA -0.052 4.588 4.640 -0.000 0.000 0.200 529 D C 2.319 178.553 176.300 -0.110 0.000 0.978 529 D CA 1.250 55.216 54.000 -0.056 0.000 0.833 529 D CB -0.197 40.596 40.800 -0.012 0.000 0.961 529 D HN 0.479 nan 8.370 nan 0.000 0.470 530 S N -0.703 114.925 115.700 -0.120 0.000 2.562 530 S HA 0.010 4.480 4.470 -0.000 0.000 0.221 530 S C 1.842 176.224 174.600 -0.363 0.000 0.975 530 S CA 0.055 58.148 58.200 -0.178 0.000 0.918 530 S CB 0.041 63.180 63.200 -0.101 0.000 0.772 530 S HN 0.033 nan 8.310 nan 0.000 0.531 531 V N 1.821 121.469 119.914 -0.443 0.000 2.488 531 V HA 0.098 4.218 4.120 -0.000 0.000 0.246 531 V C 2.764 178.594 176.094 -0.440 0.000 1.046 531 V CA 1.649 63.600 62.300 -0.581 0.000 1.053 531 V CB -1.210 30.164 31.823 -0.749 0.000 0.679 531 V HN 0.640 nan 8.190 nan 0.000 0.458 532 G N -0.003 108.610 108.800 -0.310 0.000 2.448 532 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.218 532 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.218 532 G C 1.560 176.348 174.900 -0.186 0.000 1.135 532 G CA 0.837 45.797 45.100 -0.233 0.000 0.784 532 G HN 0.562 nan 8.290 nan 0.000 0.543 533 G N 1.560 110.261 108.800 -0.165 0.000 2.394 533 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.215 533 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.215 533 G C 1.819 176.690 174.900 -0.048 0.000 1.165 533 G CA 0.944 45.990 45.100 -0.090 0.000 0.784 533 G HN 0.596 nan 8.290 nan 0.000 0.535 534 I N -1.771 118.727 120.570 -0.120 0.000 2.439 534 I HA 0.119 4.289 4.170 -0.000 0.000 0.251 534 I C 2.401 178.447 176.117 -0.117 0.000 1.139 534 I CA 0.761 62.053 61.300 -0.012 0.000 1.438 534 I CB -0.296 37.551 38.000 -0.255 0.000 1.085 534 I HN 0.028 nan 8.210 nan 0.000 0.427 535 L N 0.790 121.792 121.223 -0.368 0.000 2.201 535 L HA -0.053 4.286 4.340 -0.000 0.000 0.212 535 L C 2.880 179.610 176.870 -0.234 0.000 1.105 535 L CA 1.076 55.629 54.840 -0.477 0.000 0.775 535 L CB -0.454 41.341 42.059 -0.440 0.000 0.913 535 L HN 0.184 nan 8.230 nan 0.000 0.440 536 R N -0.017 120.407 120.500 -0.126 0.000 2.073 536 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 536 R C 1.426 177.732 176.300 0.010 0.000 1.134 536 R CA 1.217 57.283 56.100 -0.057 0.000 0.952 536 R CB -0.321 29.957 30.300 -0.037 0.000 0.850 536 R HN 0.417 nan 8.270 nan 0.000 0.433 537 S N -1.441 114.315 115.700 0.093 0.000 2.634 537 S HA 0.233 4.702 4.470 -0.000 0.000 0.261 537 S C 0.586 175.357 174.600 0.285 0.000 1.271 537 S CA -0.193 58.116 58.200 0.181 0.000 0.985 537 S CB 1.947 65.298 63.200 0.251 0.000 0.968 537 S HN 0.145 nan 8.310 nan 0.000 0.568 538 T N -0.788 113.949 114.554 0.306 0.000 3.739 538 T HA 0.221 4.571 4.350 -0.000 0.000 0.306 538 T C 1.663 176.507 174.700 0.239 0.000 0.912 538 T CA 0.090 62.416 62.100 0.377 0.000 1.117 538 T CB -1.179 67.820 68.868 0.218 0.000 1.129 538 T HN 0.709 nan 8.240 nan 0.000 0.514 539 G N 1.341 110.215 108.800 0.124 0.000 2.432 539 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 539 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 539 G C 1.419 176.323 174.900 0.007 0.000 1.135 539 G CA 1.156 46.291 45.100 0.057 0.000 0.767 539 G HN 0.404 nan 8.290 nan 0.000 0.550 540 R N -0.995 119.478 120.500 -0.044 0.000 2.075 540 R HA 0.054 4.394 4.340 -0.000 0.000 0.226 540 R C 1.981 178.133 176.300 -0.247 0.000 1.114 540 R CA 0.758 56.743 56.100 -0.191 0.000 0.972 540 R CB -0.260 29.837 30.300 -0.338 0.000 0.869 540 R HN 0.473 nan 8.270 nan 0.000 0.437 541 Y N -0.274 119.981 120.300 -0.075 0.000 2.546 541 Y HA -0.047 4.503 4.550 -0.000 0.000 0.287 541 Y C 1.718 177.479 175.900 -0.232 0.000 1.158 541 Y CA -0.009 57.943 58.100 -0.248 0.000 1.307 541 Y CB 0.303 38.388 38.460 -0.626 0.000 1.036 541 Y HN 0.143 nan 8.280 nan 0.000 0.532 542 L N -1.140 120.094 121.223 0.018 0.000 2.162 542 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 542 L C 1.887 178.812 176.870 0.092 0.000 1.086 542 L CA 1.143 56.017 54.840 0.056 0.000 0.778 542 L CB -0.361 41.735 42.059 0.062 0.000 0.928 542 L HN -0.040 nan 8.230 nan 0.000 0.446 543 V N -0.390 119.541 119.914 0.029 0.000 2.809 543 V HA -0.194 3.926 4.120 -0.000 0.000 0.256 543 V C 2.314 178.405 176.094 -0.006 0.000 1.080 543 V CA 1.421 63.724 62.300 0.006 0.000 1.102 543 V CB -0.307 31.497 31.823 -0.031 0.000 0.705 543 V HN 0.417 nan 8.190 nan 0.000 0.475 544 L N -1.018 120.202 121.223 -0.006 0.000 2.179 544 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 544 L C 2.203 179.096 176.870 0.037 0.000 1.096 544 L CA 1.567 56.403 54.840 -0.007 0.000 0.779 544 L CB -0.516 41.542 42.059 -0.001 0.000 0.922 544 L HN 0.479 nan 8.230 nan 0.000 0.443 545 Y N -0.621 119.655 120.300 -0.039 0.000 2.220 545 Y HA -0.171 4.379 4.550 -0.000 0.000 0.291 545 Y C 1.969 177.857 175.900 -0.020 0.000 1.129 545 Y CA 1.709 59.794 58.100 -0.027 0.000 1.161 545 Y CB -0.121 38.320 38.460 -0.031 0.000 0.997 545 Y HN 0.124 nan 8.280 nan 0.000 0.522 546 L N -0.283 120.914 121.223 -0.044 0.000 2.217 546 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 546 L C 2.316 179.102 176.870 -0.140 0.000 1.107 546 L CA 0.859 55.623 54.840 -0.127 0.000 0.783 546 L CB -0.356 41.712 42.059 0.015 0.000 0.919 546 L HN 0.281 nan 8.230 nan 0.000 0.442 547 I N -0.378 120.133 120.570 -0.098 0.000 2.394 547 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 547 I C 2.292 178.348 176.117 -0.101 0.000 1.136 547 I CA 1.265 62.514 61.300 -0.086 0.000 1.425 547 I CB 0.101 38.062 38.000 -0.065 0.000 1.079 547 I HN 0.171 nan 8.210 nan 0.000 0.425 548 I N -0.437 120.050 120.570 -0.139 0.000 2.439 548 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 548 I C 2.218 178.238 176.117 -0.161 0.000 1.139 548 I CA 0.905 62.126 61.300 -0.132 0.000 1.438 548 I CB 0.029 37.951 38.000 -0.129 0.000 1.085 548 I HN -0.023 nan 8.210 nan 0.000 0.427 549 V N -0.182 119.577 119.914 -0.259 0.000 2.667 549 V HA -0.171 3.949 4.120 -0.000 0.000 0.252 549 V C 2.281 178.307 176.094 -0.114 0.000 1.065 549 V CA 1.025 63.191 62.300 -0.223 0.000 1.083 549 V CB -0.049 31.588 31.823 -0.310 0.000 0.692 549 V HN 0.222 nan 8.190 nan 0.000 0.468 550 V N 1.062 120.921 119.914 -0.092 0.000 2.358 550 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 550 V C 2.559 178.657 176.094 0.007 0.000 1.047 550 V CA 2.186 64.459 62.300 -0.045 0.000 1.035 550 V CB -1.116 30.673 31.823 -0.057 0.000 0.658 550 V HN 0.603 nan 8.190 nan 0.000 0.452 551 G N -1.590 107.214 108.800 0.006 0.000 2.572 551 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 551 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 551 G C 1.525 176.485 174.900 0.099 0.000 1.133 551 G CA 0.426 45.569 45.100 0.072 0.000 0.791 551 G HN 0.363 nan 8.290 nan 0.000 0.538 552 M N 0.613 120.237 119.600 0.041 0.000 2.288 552 M HA 0.138 4.618 4.480 -0.000 0.000 0.266 552 M C 2.699 179.042 176.300 0.070 0.000 1.072 552 M CA 1.249 56.574 55.300 0.041 0.000 1.132 552 M CB -0.045 32.535 32.600 -0.032 0.000 1.386 552 M HN 0.296 nan 8.290 nan 0.000 0.432 553 A N -0.855 122.000 122.820 0.058 0.000 1.897 553 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 553 A C 1.850 179.549 177.584 0.192 0.000 1.181 553 A CA 1.056 53.142 52.037 0.081 0.000 0.620 553 A CB -1.064 17.962 19.000 0.044 0.000 0.821 553 A HN 0.622 nan 8.150 nan 0.000 0.443 554 Y N 0.332 120.670 120.300 0.063 0.000 2.293 554 Y HA 0.040 4.590 4.550 -0.000 0.000 0.291 554 Y C 1.478 177.433 175.900 0.093 0.000 1.137 554 Y CA 1.159 59.300 58.100 0.068 0.000 1.202 554 Y CB -0.100 38.383 38.460 0.038 0.000 0.990 554 Y HN 0.188 nan 8.280 nan 0.000 0.537 555 L N -0.641 120.640 121.223 0.096 0.000 2.645 555 L HA 0.014 4.354 4.340 -0.000 0.000 0.234 555 L C 1.043 177.976 176.870 0.105 0.000 1.165 555 L CA 0.194 55.056 54.840 0.036 0.000 0.944 555 L CB -0.361 41.763 42.059 0.109 0.000 1.149 555 L HN 0.249 nan 8.230 nan 0.000 0.446 556 F N -0.908 119.023 119.950 -0.031 0.000 2.537 556 F HA 0.018 4.545 4.527 -0.000 0.000 0.275 556 F C 1.999 177.791 175.800 -0.014 0.000 0.947 556 F CA 0.552 58.558 58.000 0.009 0.000 1.238 556 F CB 0.139 39.154 39.000 0.025 0.000 1.071 556 F HN -0.174 nan 8.300 nan 0.000 0.749 557 V N 0.343 120.365 119.914 0.179 0.000 2.295 557 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 557 V C 2.310 178.359 176.094 -0.075 0.000 1.049 557 V CA 1.784 64.122 62.300 0.063 0.000 1.024 557 V CB -1.031 30.849 31.823 0.095 0.000 0.648 557 V HN 0.171 nan 8.190 nan 0.000 0.447 558 R N -0.014 120.395 120.500 -0.152 0.000 2.148 558 R HA 0.210 4.550 4.340 -0.000 0.000 0.223 558 R C 0.798 177.001 176.300 -0.162 0.000 1.088 558 R CA 0.053 56.038 56.100 -0.191 0.000 0.985 558 R CB -1.182 28.909 30.300 -0.348 0.000 0.880 558 R HN 0.530 nan 8.270 nan 0.000 0.451 559 L N 3.532 124.650 121.223 -0.175 0.000 2.477 559 L HA 0.182 4.522 4.340 -0.000 0.000 0.272 559 L C -2.070 174.695 176.870 -0.175 0.000 1.157 559 L CA -1.563 53.172 54.840 -0.176 0.000 0.889 559 L CB 0.351 42.290 42.059 -0.199 0.000 1.158 559 L HN 0.020 nan 8.230 nan 0.000 0.473 560 P HA 0.104 nan 4.420 nan 0.000 0.274 560 P C -1.192 176.064 177.300 -0.074 0.000 1.256 560 P CA -0.565 62.483 63.100 -0.087 0.000 0.795 560 P CB 0.948 32.613 31.700 -0.059 0.000 1.038 561 S N -0.003 115.677 115.700 -0.033 0.000 2.530 561 S HA 0.510 4.980 4.470 -0.000 0.000 0.322 561 S C -0.304 174.325 174.600 0.048 0.000 1.085 561 S CA -0.311 57.894 58.200 0.008 0.000 1.096 561 S CB -0.109 63.100 63.200 0.016 0.000 0.988 561 S HN 0.404 nan 8.310 nan 0.000 0.466 562 S N 2.954 118.703 115.700 0.081 0.000 2.798 562 S HA 0.657 5.127 4.470 -0.000 0.000 0.312 562 S C -0.276 174.448 174.600 0.205 0.000 1.122 562 S CA -0.535 57.734 58.200 0.115 0.000 0.949 562 S CB 1.097 64.348 63.200 0.085 0.000 1.235 562 S HN 0.755 nan 8.310 nan 0.000 0.552 563 F N 0.245 120.199 119.950 0.006 0.000 2.536 563 F HA 0.633 5.160 4.527 -0.000 0.000 0.278 563 F C -0.547 175.216 175.800 -0.062 0.000 0.945 563 F CA 0.018 58.000 58.000 -0.030 0.000 1.244 563 F CB -0.028 38.943 39.000 -0.047 0.000 1.118 563 F HN 0.369 nan 8.300 nan 0.000 0.725 564 L N 2.033 123.094 121.223 -0.270 0.000 2.526 564 L HA 0.485 4.825 4.340 -0.000 0.000 0.263 564 L C -2.668 174.144 176.870 -0.097 0.000 0.943 564 L CA -1.887 52.738 54.840 -0.359 0.000 0.859 564 L CB 1.630 43.235 42.059 -0.756 0.000 1.313 564 L HN -0.069 nan 8.230 nan 0.000 0.406 565 P HA 0.175 nan 4.420 nan 0.000 0.271 565 P C -1.176 176.154 177.300 0.050 0.000 1.220 565 P CA -0.194 62.949 63.100 0.072 0.000 0.768 565 P CB 0.470 32.250 31.700 0.135 0.000 0.848 566 D N 2.259 122.680 120.400 0.036 0.000 2.344 566 D HA 0.105 4.745 4.640 -0.000 0.000 0.253 566 D C 0.404 176.736 176.300 0.053 0.000 1.255 566 D CA 0.263 54.282 54.000 0.032 0.000 0.894 566 D CB 0.376 41.193 40.800 0.028 0.000 1.067 566 D HN 0.298 nan 8.370 nan 0.000 0.492 567 E N 1.174 121.416 120.200 0.071 0.000 2.280 567 E HA 0.139 4.489 4.350 -0.000 0.000 0.264 567 E C -0.360 176.297 176.600 0.096 0.000 1.064 567 E CA -0.828 55.638 56.400 0.110 0.000 0.900 567 E CB 1.018 30.834 29.700 0.194 0.000 1.123 567 E HN 0.322 nan 8.360 nan 0.000 0.418 568 D N 1.351 121.849 120.400 0.164 0.000 2.339 568 D HA -0.022 4.618 4.640 -0.000 0.000 0.256 568 D C -0.236 176.262 176.300 0.330 0.000 1.214 568 D CA 0.547 54.683 54.000 0.227 0.000 0.877 568 D CB 0.873 41.873 40.800 0.334 0.000 1.111 568 D HN 0.348 nan 8.370 nan 0.000 0.478 569 Q N 1.786 121.621 119.800 0.058 0.000 2.179 569 Q HA 0.239 4.579 4.340 -0.000 0.000 0.213 569 Q C 1.083 177.012 176.000 -0.118 0.000 0.833 569 Q CA 0.136 55.776 55.803 -0.271 0.000 0.990 569 Q CB 0.524 28.916 28.738 -0.576 0.000 1.132 569 Q HN 0.798 nan 8.270 nan 0.000 0.493 570 G N 0.189 108.848 108.800 -0.236 0.000 2.168 570 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.257 570 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.257 570 G C -0.172 174.555 174.900 -0.287 0.000 0.997 570 G CA 0.507 45.275 45.100 -0.553 0.000 0.708 570 G HN 0.281 nan 8.290 nan 0.000 0.520 571 V N 0.002 119.811 119.914 -0.174 0.000 2.823 571 V HA 0.673 4.793 4.120 -0.000 0.000 0.296 571 V C -0.378 175.722 176.094 0.011 0.000 1.250 571 V CA -0.357 61.840 62.300 -0.172 0.000 0.939 571 V CB 1.744 33.291 31.823 -0.460 0.000 1.062 571 V HN 1.105 nan 8.190 nan 0.000 0.433 572 F N 4.528 124.419 119.950 -0.098 0.000 2.824 572 F HA 0.968 5.495 4.527 -0.000 0.000 0.330 572 F C -0.777 175.071 175.800 0.080 0.000 1.175 572 F CA -1.078 56.907 58.000 -0.026 0.000 0.974 572 F CB 2.075 41.024 39.000 -0.085 0.000 1.430 572 F HN 0.564 nan 8.300 nan 0.000 0.507 573 M N 0.806 120.296 119.600 -0.184 0.000 2.880 573 M HA 0.690 5.170 4.480 -0.000 0.000 0.269 573 M C -1.860 174.217 176.300 -0.371 0.000 1.248 573 M CA -0.497 54.638 55.300 -0.276 0.000 0.821 573 M CB 2.010 34.711 32.600 0.168 0.000 1.650 573 M HN 0.915 nan 8.290 nan 0.000 0.479 574 T N 1.508 115.956 114.554 -0.175 0.000 2.923 574 T HA 0.721 5.071 4.350 -0.000 0.000 0.311 574 T C -1.021 173.731 174.700 0.088 0.000 1.183 574 T CA -0.788 61.305 62.100 -0.011 0.000 1.020 574 T CB 1.847 70.865 68.868 0.249 0.000 1.165 574 T HN 0.938 nan 8.240 nan 0.000 0.482 575 M N 2.664 122.419 119.600 0.258 0.000 2.777 575 M HA 0.910 5.390 4.480 -0.000 0.000 0.307 575 M C -1.601 174.767 176.300 0.113 0.000 1.228 575 M CA -0.851 54.584 55.300 0.225 0.000 0.871 575 M CB 1.905 34.741 32.600 0.394 0.000 1.721 575 M HN 0.368 nan 8.290 nan 0.000 0.487 576 V N 1.005 120.949 119.914 0.050 0.000 2.962 576 V HA 0.663 4.783 4.120 -0.000 0.000 0.313 576 V C -1.297 174.810 176.094 0.023 0.000 1.099 576 V CA -0.476 61.798 62.300 -0.043 0.000 0.971 576 V CB 1.828 33.585 31.823 -0.110 0.000 1.028 576 V HN 0.950 nan 8.190 nan 0.000 0.430 577 Q N 2.643 122.437 119.800 -0.010 0.000 2.371 577 Q HA 0.500 4.840 4.340 -0.000 0.000 0.244 577 Q C -2.297 173.704 176.000 0.002 0.000 0.882 577 Q CA -0.227 55.602 55.803 0.042 0.000 0.866 577 Q CB 1.416 30.240 28.738 0.143 0.000 1.399 577 Q HN 0.617 nan 8.270 nan 0.000 0.432 578 L N 5.203 126.428 121.223 0.003 0.000 2.375 578 L HA 0.691 5.031 4.340 -0.000 0.000 0.268 578 L C -1.812 175.069 176.870 0.017 0.000 1.058 578 L CA -1.718 53.118 54.840 -0.006 0.000 0.803 578 L CB 0.998 43.048 42.059 -0.015 0.000 1.212 578 L HN 0.665 nan 8.230 nan 0.000 0.451 579 P HA 0.085 nan 4.420 nan 0.000 0.286 579 P C -0.821 176.499 177.300 0.034 0.000 1.293 579 P CA -0.573 62.543 63.100 0.026 0.000 0.770 579 P CB 0.362 32.071 31.700 0.015 0.000 1.206 580 A N -0.429 122.417 122.820 0.043 0.000 2.563 580 A HA 0.353 4.673 4.320 -0.000 0.000 0.256 580 A C 1.292 178.903 177.584 0.044 0.000 1.056 580 A CA 0.767 52.838 52.037 0.056 0.000 0.775 580 A CB -2.015 17.028 19.000 0.072 0.000 0.973 580 A HN 0.927 nan 8.150 nan 0.000 0.516 581 G N 1.308 110.141 108.800 0.054 0.000 2.289 581 G HA2 0.209 4.169 3.960 -0.000 0.000 0.280 581 G HA3 0.209 4.169 3.960 -0.000 0.000 0.280 581 G C 0.381 175.302 174.900 0.035 0.000 1.089 581 G CA 0.347 45.479 45.100 0.053 0.000 0.939 581 G HN 2.130 nan 8.290 nan 0.000 0.499 582 A N -0.371 122.467 122.820 0.030 0.000 2.257 582 A HA 0.966 5.286 4.320 -0.000 0.000 0.289 582 A C 0.939 178.534 177.584 0.018 0.000 1.095 582 A CA 0.776 52.822 52.037 0.015 0.000 0.836 582 A CB 0.735 19.739 19.000 0.007 0.000 1.111 582 A HN 1.803 nan 8.150 nan 0.000 0.497 583 T N -2.115 112.442 114.554 0.006 0.000 2.919 583 T HA 0.399 4.749 4.350 -0.000 0.000 0.282 583 T C 0.852 175.552 174.700 -0.000 0.000 1.020 583 T CA 0.015 62.118 62.100 0.005 0.000 0.994 583 T CB 1.137 70.002 68.868 -0.004 0.000 1.180 583 T HN 0.632 nan 8.240 nan 0.000 0.566 584 Q N -0.352 119.447 119.800 -0.000 0.000 2.167 584 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 584 Q C 2.023 178.013 176.000 -0.017 0.000 0.970 584 Q CA 1.357 57.159 55.803 -0.002 0.000 0.855 584 Q CB -0.029 28.711 28.738 0.005 0.000 0.911 584 Q HN 0.794 nan 8.270 nan 0.000 0.438 585 E N -0.168 120.017 120.200 -0.025 0.000 2.112 585 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 585 E C 2.034 178.610 176.600 -0.040 0.000 0.979 585 E CA 0.378 56.757 56.400 -0.035 0.000 0.814 585 E CB 0.199 29.876 29.700 -0.039 0.000 0.762 585 E HN 0.277 nan 8.360 nan 0.000 0.460 586 R N -0.261 120.217 120.500 -0.036 0.000 2.073 586 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 586 R C 2.362 178.630 176.300 -0.054 0.000 1.120 586 R CA 1.418 57.492 56.100 -0.043 0.000 0.967 586 R CB -0.449 29.830 30.300 -0.034 0.000 0.862 586 R HN 0.077 nan 8.270 nan 0.000 0.436 587 T N 0.078 114.604 114.554 -0.046 0.000 2.995 587 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 587 T C 1.663 176.318 174.700 -0.075 0.000 1.091 587 T CA 1.075 63.140 62.100 -0.058 0.000 1.128 587 T CB 0.100 68.946 68.868 -0.036 0.000 0.891 587 T HN 0.090 nan 8.240 nan 0.000 0.492 588 Q N 1.254 121.015 119.800 -0.064 0.000 2.172 588 Q HA 0.054 4.394 4.340 -0.000 0.000 0.200 588 Q C 2.101 178.044 176.000 -0.095 0.000 0.964 588 Q CA 1.549 57.309 55.803 -0.072 0.000 0.855 588 Q CB -0.243 28.463 28.738 -0.052 0.000 0.918 588 Q HN 0.561 nan 8.270 nan 0.000 0.444 589 K N -1.029 119.314 120.400 -0.095 0.000 2.097 589 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 589 K C 1.566 178.072 176.600 -0.156 0.000 1.050 589 K CA 1.361 57.579 56.287 -0.114 0.000 0.938 589 K CB 0.085 32.529 32.500 -0.093 0.000 0.718 589 K HN 0.141 nan 8.250 nan 0.000 0.442 590 V N 1.318 121.138 119.914 -0.157 0.000 2.591 590 V HA -0.156 3.964 4.120 -0.000 0.000 0.249 590 V C 2.119 178.060 176.094 -0.256 0.000 1.053 590 V CA 1.195 63.371 62.300 -0.206 0.000 1.068 590 V CB -0.242 31.465 31.823 -0.192 0.000 0.689 590 V HN 0.286 nan 8.190 nan 0.000 0.462 591 L N 0.175 121.275 121.223 -0.205 0.000 2.291 591 L HA -0.053 4.287 4.340 -0.000 0.000 0.214 591 L C 2.237 178.987 176.870 -0.200 0.000 1.120 591 L CA 0.908 55.627 54.840 -0.202 0.000 0.799 591 L CB -0.452 41.522 42.059 -0.142 0.000 0.925 591 L HN 0.356 nan 8.230 nan 0.000 0.446 592 N N -0.034 118.538 118.700 -0.214 0.000 2.173 592 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 592 N C 1.678 176.869 175.510 -0.532 0.000 1.025 592 N CA 0.973 53.863 53.050 -0.266 0.000 0.852 592 N CB -0.024 38.318 38.487 -0.241 0.000 0.998 592 N HN 0.288 nan 8.380 nan 0.000 0.427 593 E N 0.076 119.993 120.200 -0.471 0.000 2.153 593 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 593 E C 1.676 178.140 176.600 -0.227 0.000 0.988 593 E CA 0.639 56.797 56.400 -0.403 0.000 0.811 593 E CB 0.108 29.659 29.700 -0.249 0.000 0.746 593 E HN 0.079 nan 8.360 nan 0.000 0.466 594 V N 0.867 120.580 119.914 -0.334 0.000 2.453 594 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 594 V C 2.174 178.099 176.094 -0.282 0.000 1.048 594 V CA 1.959 63.998 62.300 -0.436 0.000 1.049 594 V CB -0.460 30.958 31.823 -0.676 0.000 0.672 594 V HN 0.311 nan 8.190 nan 0.000 0.457 595 T N -1.145 113.335 114.554 -0.123 0.000 2.962 595 T HA -0.150 4.200 4.350 -0.000 0.000 0.270 595 T C 1.735 176.561 174.700 0.209 0.000 1.088 595 T CA 1.315 63.446 62.100 0.052 0.000 1.127 595 T CB -0.280 68.640 68.868 0.086 0.000 0.883 595 T HN 0.543 nan 8.240 nan 0.000 0.493 596 H N -0.651 118.410 119.070 -0.017 0.000 2.436 596 H HA 0.134 4.690 4.556 -0.000 0.000 0.294 596 H C 1.729 177.099 175.328 0.070 0.000 1.048 596 H CA 0.293 56.355 56.048 0.022 0.000 1.353 596 H CB -0.600 29.174 29.762 0.020 0.000 1.414 596 H HN 0.416 nan 8.280 nan 0.000 0.536 597 Y N 0.139 120.499 120.300 0.099 0.000 2.293 597 Y HA -0.261 4.289 4.550 -0.000 0.000 0.291 597 Y C 1.316 177.332 175.900 0.194 0.000 1.137 597 Y CA 1.248 59.398 58.100 0.083 0.000 1.202 597 Y CB -0.107 38.380 38.460 0.045 0.000 0.990 597 Y HN 0.108 nan 8.280 nan 0.000 0.537 598 Y N -1.095 119.358 120.300 0.256 0.000 2.475 598 Y HA 0.008 4.558 4.550 -0.000 0.000 0.289 598 Y C 1.880 177.802 175.900 0.037 0.000 1.121 598 Y CA 0.257 58.449 58.100 0.152 0.000 1.257 598 Y CB -0.549 38.027 38.460 0.193 0.000 1.026 598 Y HN 0.165 nan 8.280 nan 0.000 0.555 599 L N -1.715 119.600 121.223 0.154 0.000 2.327 599 L HA -0.043 4.297 4.340 -0.000 0.000 0.192 599 L C 2.402 179.263 176.870 -0.015 0.000 1.158 599 L CA 1.258 56.121 54.840 0.038 0.000 0.813 599 L CB -0.749 41.298 42.059 -0.020 0.000 1.021 599 L HN -0.058 nan 8.230 nan 0.000 0.481 600 T N -0.426 114.104 114.554 -0.039 0.000 2.857 600 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 600 T C 1.519 176.177 174.700 -0.071 0.000 1.048 600 T CA 1.193 63.259 62.100 -0.057 0.000 1.139 600 T CB 0.089 68.919 68.868 -0.064 0.000 0.874 600 T HN 0.128 nan 8.240 nan 0.000 0.455 601 K N 0.406 120.738 120.400 -0.113 0.000 2.374 601 K HA 0.199 4.519 4.320 -0.000 0.000 0.196 601 K C 0.353 176.804 176.600 -0.248 0.000 1.023 601 K CA 0.191 56.347 56.287 -0.218 0.000 1.103 601 K CB 0.548 32.815 32.500 -0.389 0.000 0.848 601 K HN 0.195 nan 8.250 nan 0.000 0.528 602 E N 0.833 120.954 120.200 -0.132 0.000 3.844 602 E HA 0.077 4.427 4.350 -0.000 0.000 0.260 602 E C 0.054 176.642 176.600 -0.019 0.000 1.163 602 E CA 0.017 56.374 56.400 -0.072 0.000 1.261 602 E CB 0.264 29.949 29.700 -0.024 0.000 1.261 602 E HN -0.027 nan 8.360 nan 0.000 0.399 603 K N -0.234 120.148 120.400 -0.031 0.000 2.103 603 K HA 0.002 4.322 4.320 -0.000 0.000 0.204 603 K C 0.994 177.585 176.600 -0.015 0.000 1.052 603 K CA 0.966 57.241 56.287 -0.020 0.000 0.945 603 K CB 0.085 32.569 32.500 -0.026 0.000 0.722 603 K HN 0.117 nan 8.250 nan 0.000 0.443 604 N N 1.298 119.987 118.700 -0.018 0.000 2.331 604 N HA -0.081 4.659 4.740 -0.000 0.000 0.180 604 N C 0.890 176.391 175.510 -0.014 0.000 1.019 604 N CA 1.112 54.154 53.050 -0.014 0.000 0.881 604 N CB -0.057 38.422 38.487 -0.014 0.000 0.972 604 N HN 0.334 nan 8.380 nan 0.000 0.435 605 N N -1.030 117.662 118.700 -0.013 0.000 2.322 605 N HA 0.132 4.872 4.740 -0.000 0.000 0.181 605 N C -0.867 174.635 175.510 -0.014 0.000 1.088 605 N CA -0.023 53.017 53.050 -0.016 0.000 0.885 605 N CB 1.191 39.669 38.487 -0.015 0.000 1.013 605 N HN -0.108 nan 8.380 nan 0.000 0.472 606 V N 1.177 121.089 119.914 -0.002 0.000 2.409 606 V HA 0.164 4.284 4.120 -0.000 0.000 0.291 606 V C 0.695 176.788 176.094 -0.003 0.000 1.020 606 V CA -0.407 61.893 62.300 0.001 0.000 0.848 606 V CB 1.822 33.663 31.823 0.030 0.000 0.990 606 V HN -0.005 nan 8.190 nan 0.000 0.430 607 E N 3.746 123.942 120.200 -0.006 0.000 2.060 607 E HA 0.034 4.384 4.350 -0.000 0.000 0.189 607 E C 0.843 177.448 176.600 0.008 0.000 0.974 607 E CA 1.264 57.668 56.400 0.008 0.000 0.808 607 E CB 0.360 30.071 29.700 0.019 0.000 0.768 607 E HN 0.869 nan 8.360 nan 0.000 0.453 608 S N -1.861 113.850 115.700 0.017 0.000 2.656 608 S HA 0.718 5.188 4.470 -0.000 0.000 0.273 608 S C -0.981 173.629 174.600 0.017 0.000 1.168 608 S CA -0.543 57.641 58.200 -0.028 0.000 0.817 608 S CB 1.684 64.940 63.200 0.093 0.000 1.146 608 S HN 0.031 nan 8.310 nan 0.000 0.475 609 V N 0.069 119.962 119.914 -0.035 0.000 3.078 609 V HA 0.747 4.867 4.120 -0.000 0.000 0.311 609 V C -1.610 174.622 176.094 0.230 0.000 1.138 609 V CA -0.719 61.640 62.300 0.099 0.000 1.007 609 V CB 1.727 33.601 31.823 0.086 0.000 1.045 609 V HN 0.973 nan 8.190 nan 0.000 0.432 610 F N 2.131 122.153 119.950 0.119 0.000 2.872 610 F HA 0.769 5.296 4.527 -0.000 0.000 0.365 610 F C 0.510 176.306 175.800 -0.005 0.000 1.296 610 F CA -0.317 57.770 58.000 0.145 0.000 1.199 610 F CB 0.473 39.609 39.000 0.225 0.000 1.687 610 F HN 0.770 nan 8.300 nan 0.000 0.604 611 A N 2.174 124.900 122.820 -0.157 0.000 2.406 611 A HA 0.691 5.011 4.320 -0.000 0.000 0.243 611 A C -0.802 176.656 177.584 -0.209 0.000 1.082 611 A CA -0.189 51.746 52.037 -0.169 0.000 0.786 611 A CB 0.641 19.561 19.000 -0.133 0.000 1.029 611 A HN 0.448 nan 8.150 nan 0.000 0.495 612 V N 1.236 121.082 119.914 -0.113 0.000 2.851 612 V HA 0.277 4.397 4.120 -0.000 0.000 0.307 612 V C -0.409 175.696 176.094 0.020 0.000 1.129 612 V CA -0.693 61.615 62.300 0.014 0.000 0.932 612 V CB 2.065 34.011 31.823 0.204 0.000 1.024 612 V HN 0.984 nan 8.190 nan 0.000 0.426 613 N N 2.674 121.402 118.700 0.045 0.000 2.678 613 N HA 0.547 5.287 4.740 -0.000 0.000 0.231 613 N C 0.447 176.000 175.510 0.071 0.000 1.038 613 N CA 0.716 53.785 53.050 0.031 0.000 0.932 613 N CB 0.723 39.216 38.487 0.010 0.000 1.176 613 N HN 1.199 nan 8.380 nan 0.000 0.511 614 G N 3.237 112.087 108.800 0.083 0.000 2.237 614 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.153 614 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.153 614 G C -0.563 174.459 174.900 0.205 0.000 1.039 614 G CA -0.345 44.819 45.100 0.107 0.000 0.719 614 G HN 0.580 nan 8.290 nan 0.000 0.491 615 F N 0.683 120.642 119.950 0.014 0.000 3.361 615 F HA 0.543 5.070 4.527 -0.000 0.000 0.390 615 F C 0.347 176.167 175.800 0.035 0.000 1.251 615 F CA -0.173 57.833 58.000 0.010 0.000 1.260 615 F CB 0.469 39.460 39.000 -0.015 0.000 1.847 615 F HN 0.367 nan 8.300 nan 0.000 0.673 616 G N 2.044 110.742 108.800 -0.171 0.000 2.522 616 G HA2 0.238 4.197 3.960 -0.000 0.000 0.304 616 G HA3 0.238 4.197 3.960 -0.000 0.000 0.304 616 G C -0.382 174.345 174.900 -0.288 0.000 1.210 616 G CA -0.536 44.437 45.100 -0.211 0.000 0.960 616 G HN 0.587 nan 8.290 nan 0.000 0.497 617 F N 0.611 120.483 119.950 -0.130 0.000 2.811 617 F HA 0.212 4.739 4.527 -0.000 0.000 0.301 617 F C 2.423 178.228 175.800 0.010 0.000 1.151 617 F CA 0.543 58.517 58.000 -0.042 0.000 1.412 617 F CB 0.242 39.253 39.000 0.018 0.000 1.113 617 F HN 0.425 nan 8.300 nan 0.000 0.579 618 A N -0.401 122.524 122.820 0.176 0.000 1.840 618 A HA 0.360 4.680 4.320 -0.000 0.000 0.214 618 A C 1.935 179.601 177.584 0.136 0.000 1.198 618 A CA 1.796 53.912 52.037 0.131 0.000 0.608 618 A CB -0.986 18.072 19.000 0.097 0.000 0.839 618 A HN 0.421 nan 8.150 nan 0.000 0.443 619 G N -2.188 106.693 108.800 0.134 0.000 3.331 619 G HA2 0.501 4.461 3.960 -0.000 0.000 0.153 619 G HA3 0.501 4.461 3.960 -0.000 0.000 0.153 619 G C -0.365 174.651 174.900 0.193 0.000 1.216 619 G CA -0.007 45.183 45.100 0.150 0.000 1.426 619 G HN 0.410 nan 8.290 nan 0.000 0.705 620 R N -1.282 119.309 120.500 0.151 0.000 2.766 620 R HA 0.600 4.940 4.340 -0.000 0.000 0.270 620 R C -0.730 175.637 176.300 0.112 0.000 1.035 620 R CA 0.107 56.299 56.100 0.153 0.000 0.911 620 R CB 2.208 32.576 30.300 0.112 0.000 1.243 620 R HN 1.751 nan 8.270 nan 0.000 0.460 621 G N 0.151 109.012 108.800 0.102 0.000 2.340 621 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.527 621 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.527 621 G C -0.385 174.561 174.900 0.076 0.000 1.381 621 G CA -0.729 44.420 45.100 0.082 0.000 1.001 621 G HN 0.495 nan 8.290 nan 0.000 0.626 622 Q N -0.371 119.467 119.800 0.062 0.000 2.435 622 Q HA -0.011 4.329 4.340 -0.000 0.000 0.207 622 Q C 1.881 177.904 176.000 0.039 0.000 0.956 622 Q CA 1.023 56.856 55.803 0.050 0.000 0.917 622 Q CB 0.050 28.814 28.738 0.043 0.000 0.997 622 Q HN 0.474 nan 8.270 nan 0.000 0.497 623 N N 0.618 119.345 118.700 0.044 0.000 2.290 623 N HA -0.064 4.676 4.740 -0.000 0.000 0.179 623 N C 1.059 176.585 175.510 0.028 0.000 1.016 623 N CA 1.154 54.223 53.050 0.032 0.000 0.871 623 N CB -0.225 38.288 38.487 0.042 0.000 0.987 623 N HN 0.288 nan 8.380 nan 0.000 0.431 624 T N -2.072 112.509 114.554 0.046 0.000 2.732 624 T HA 0.679 5.029 4.350 -0.000 0.000 0.287 624 T C 0.650 175.362 174.700 0.020 0.000 0.993 624 T CA -0.304 61.821 62.100 0.043 0.000 0.966 624 T CB 1.308 70.216 68.868 0.066 0.000 1.047 624 T HN 0.231 nan 8.240 nan 0.000 0.527 625 G N -0.970 107.827 108.800 -0.005 0.000 2.368 625 G HA2 0.511 4.471 3.960 -0.000 0.000 0.293 625 G HA3 0.511 4.471 3.960 -0.000 0.000 0.293 625 G C -2.140 172.703 174.900 -0.094 0.000 1.467 625 G CA -0.713 44.362 45.100 -0.042 0.000 0.804 625 G HN 1.019 nan 8.290 nan 0.000 0.535 626 I N -0.046 120.429 120.570 -0.159 0.000 2.715 626 I HA 0.679 4.849 4.170 -0.000 0.000 0.288 626 I C -0.464 175.421 176.117 -0.387 0.000 1.371 626 I CA -0.289 60.854 61.300 -0.262 0.000 1.056 626 I CB 1.861 39.638 38.000 -0.371 0.000 1.339 626 I HN 1.213 nan 8.210 nan 0.000 0.425 627 A N 6.515 129.157 122.820 -0.297 0.000 2.304 627 A HA 0.791 5.111 4.320 -0.000 0.000 0.323 627 A C -1.459 176.000 177.584 -0.207 0.000 1.195 627 A CA -0.243 51.663 52.037 -0.219 0.000 0.826 627 A CB 0.341 19.317 19.000 -0.039 0.000 1.184 627 A HN 0.459 nan 8.150 nan 0.000 0.496 628 F N 2.667 122.693 119.950 0.127 0.000 2.313 628 F HA 0.373 4.900 4.527 -0.000 0.000 0.369 628 F C 0.282 176.111 175.800 0.048 0.000 1.109 628 F CA -0.860 57.200 58.000 0.100 0.000 1.132 628 F CB 1.242 40.306 39.000 0.106 0.000 1.291 628 F HN 0.256 nan 8.300 nan 0.000 0.496 629 V N 2.343 122.243 119.914 -0.024 0.000 2.583 629 V HA 0.285 4.405 4.120 -0.000 0.000 0.287 629 V C 0.313 176.347 176.094 -0.100 0.000 1.051 629 V CA -0.313 61.846 62.300 -0.235 0.000 1.010 629 V CB 1.505 32.769 31.823 -0.932 0.000 0.988 629 V HN 0.727 nan 8.190 nan 0.000 0.478 630 S N 5.802 121.486 115.700 -0.027 0.000 2.667 630 S HA 0.567 5.037 4.470 -0.000 0.000 0.304 630 S C -0.531 174.041 174.600 -0.047 0.000 1.135 630 S CA -0.676 57.509 58.200 -0.025 0.000 1.125 630 S CB -0.012 63.220 63.200 0.054 0.000 0.996 630 S HN 0.537 nan 8.310 nan 0.000 0.474 631 L N 3.628 124.802 121.223 -0.081 0.000 2.473 631 L HA 0.354 4.694 4.340 -0.000 0.000 0.268 631 L C 1.202 177.990 176.870 -0.136 0.000 1.215 631 L CA -0.457 54.331 54.840 -0.087 0.000 0.823 631 L CB 0.356 42.357 42.059 -0.098 0.000 1.099 631 L HN 0.445 nan 8.230 nan 0.000 0.483 632 K N 0.994 121.327 120.400 -0.112 0.000 2.187 632 K HA 0.032 4.352 4.320 -0.000 0.000 0.247 632 K C -0.516 175.955 176.600 -0.215 0.000 1.019 632 K CA -0.302 55.917 56.287 -0.113 0.000 0.893 632 K CB 0.439 32.902 32.500 -0.062 0.000 1.025 632 K HN 0.624 nan 8.250 nan 0.000 0.500 633 D N -0.796 119.501 120.400 -0.172 0.000 2.364 633 D HA -0.098 4.542 4.640 -0.000 0.000 0.236 633 D C 0.832 177.030 176.300 -0.171 0.000 1.221 633 D CA 0.124 53.986 54.000 -0.229 0.000 0.891 633 D CB 0.118 40.895 40.800 -0.039 0.000 1.190 633 D HN 0.458 nan 8.370 nan 0.000 0.449 634 W N 0.053 121.377 121.300 0.039 0.000 2.425 634 W HA 0.098 4.758 4.660 -0.000 0.000 0.277 634 W C 2.387 178.919 176.519 0.023 0.000 1.231 634 W CA 0.634 58.000 57.345 0.034 0.000 1.248 634 W CB -0.713 28.770 29.460 0.038 0.000 1.117 634 W HN 0.556 nan 8.180 nan 0.000 0.568 635 A N 0.729 123.687 122.820 0.229 0.000 1.898 635 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 635 A C 1.391 179.027 177.584 0.086 0.000 1.181 635 A CA 1.977 54.096 52.037 0.138 0.000 0.620 635 A CB -0.771 18.297 19.000 0.112 0.000 0.819 635 A HN 0.166 nan 8.150 nan 0.000 0.442 636 D N -0.765 119.672 120.400 0.062 0.000 2.363 636 D HA 0.048 4.688 4.640 -0.000 0.000 0.220 636 D C 0.535 176.853 176.300 0.029 0.000 0.994 636 D CA 0.472 54.493 54.000 0.034 0.000 0.890 636 D CB 0.055 40.865 40.800 0.016 0.000 0.906 636 D HN 0.314 nan 8.370 nan 0.000 0.530 637 R N 0.895 121.422 120.500 0.044 0.000 2.332 637 R HA 0.203 4.543 4.340 -0.000 0.000 0.306 637 R C -1.671 174.668 176.300 0.065 0.000 1.117 637 R CA -1.113 55.012 56.100 0.041 0.000 1.108 637 R CB 1.481 31.799 30.300 0.029 0.000 1.126 637 R HN 0.084 nan 8.270 nan 0.000 0.548 638 P HA -0.019 nan 4.420 nan 0.000 0.214 638 P C 0.743 178.069 177.300 0.043 0.000 1.167 638 P CA 0.703 63.831 63.100 0.047 0.000 0.882 638 P CB 0.272 31.991 31.700 0.032 0.000 0.777 639 G N -0.343 108.476 108.800 0.031 0.000 2.543 639 G HA2 0.056 4.016 3.960 -0.000 0.000 0.290 639 G HA3 0.056 4.016 3.960 -0.000 0.000 0.290 639 G C 0.662 175.577 174.900 0.025 0.000 1.310 639 G CA -0.270 44.844 45.100 0.024 0.000 1.025 639 G HN 0.106 nan 8.290 nan 0.000 0.502 640 E N -0.621 119.590 120.200 0.018 0.000 2.358 640 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 640 E C 1.841 178.443 176.600 0.004 0.000 1.010 640 E CA 0.381 56.790 56.400 0.014 0.000 0.856 640 E CB 0.190 29.896 29.700 0.009 0.000 0.795 640 E HN 0.454 nan 8.360 nan 0.000 0.504 641 E N 0.744 120.945 120.200 0.002 0.000 2.106 641 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 641 E C 0.674 177.267 176.600 -0.011 0.000 0.984 641 E CA 0.632 57.029 56.400 -0.005 0.000 0.806 641 E CB -0.244 29.454 29.700 -0.003 0.000 0.750 641 E HN 0.165 nan 8.360 nan 0.000 0.458 642 N N 1.345 120.043 118.700 -0.003 0.000 2.575 642 N HA 0.028 4.768 4.740 -0.000 0.000 0.275 642 N C -0.141 175.366 175.510 -0.005 0.000 1.202 642 N CA 0.140 53.185 53.050 -0.008 0.000 0.945 642 N CB 0.458 38.946 38.487 0.002 0.000 1.247 642 N HN 0.023 nan 8.380 nan 0.000 0.510 643 K N 0.082 120.473 120.400 -0.015 0.000 2.375 643 K HA 0.277 4.597 4.320 -0.000 0.000 0.249 643 K C 0.835 177.392 176.600 -0.072 0.000 0.942 643 K CA -0.477 55.805 56.287 -0.007 0.000 0.806 643 K CB 2.002 34.518 32.500 0.027 0.000 1.227 643 K HN -0.249 nan 8.250 nan 0.000 0.430 644 V N 2.442 122.300 119.914 -0.094 0.000 2.370 644 V HA -0.254 3.866 4.120 -0.000 0.000 0.252 644 V C 2.318 178.283 176.094 -0.215 0.000 1.068 644 V CA 1.984 64.150 62.300 -0.224 0.000 1.061 644 V CB -0.477 31.249 31.823 -0.161 0.000 0.656 644 V HN 0.785 nan 8.190 nan 0.000 0.455 645 E N 0.237 120.375 120.200 -0.105 0.000 2.031 645 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 645 E C 2.323 178.875 176.600 -0.082 0.000 0.994 645 E CA 1.784 58.139 56.400 -0.076 0.000 0.800 645 E CB -0.299 29.381 29.700 -0.032 0.000 0.752 645 E HN 0.563 nan 8.360 nan 0.000 0.447 646 A N 0.455 123.234 122.820 -0.069 0.000 2.014 646 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 646 A C 2.316 179.861 177.584 -0.066 0.000 1.163 646 A CA 0.797 52.803 52.037 -0.052 0.000 0.652 646 A CB -0.423 18.558 19.000 -0.032 0.000 0.808 646 A HN 0.239 nan 8.150 nan 0.000 0.449 647 I N 0.146 120.642 120.570 -0.124 0.000 2.286 647 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 647 I C 2.623 178.653 176.117 -0.146 0.000 1.104 647 I CA 1.734 62.953 61.300 -0.135 0.000 1.397 647 I CB -0.342 37.507 38.000 -0.253 0.000 1.072 647 I HN 0.473 nan 8.210 nan 0.000 0.417 648 T N -1.933 112.462 114.554 -0.264 0.000 3.085 648 T HA 0.014 4.364 4.350 -0.000 0.000 0.263 648 T C 1.795 176.455 174.700 -0.067 0.000 1.127 648 T CA 0.360 62.355 62.100 -0.176 0.000 1.103 648 T CB 0.040 68.772 68.868 -0.227 0.000 0.921 648 T HN 0.098 nan 8.240 nan 0.000 0.510 649 M N 2.190 121.752 119.600 -0.064 0.000 2.081 649 M HA 0.060 4.540 4.480 -0.000 0.000 0.261 649 M C 2.622 178.891 176.300 -0.051 0.000 1.075 649 M CA 1.606 56.882 55.300 -0.039 0.000 1.133 649 M CB -0.414 32.168 32.600 -0.030 0.000 1.330 649 M HN 0.437 nan 8.290 nan 0.000 0.414 650 R N -0.290 120.189 120.500 -0.035 0.000 2.299 650 R HA 0.209 4.549 4.340 -0.000 0.000 0.197 650 R C 1.789 177.984 176.300 -0.174 0.000 0.971 650 R CA 0.928 57.008 56.100 -0.033 0.000 1.030 650 R CB -0.514 29.824 30.300 0.064 0.000 0.932 650 R HN 0.218 nan 8.270 nan 0.000 0.477 651 A N 1.649 124.328 122.820 -0.234 0.000 1.898 651 A HA -0.105 4.215 4.320 -0.000 0.000 0.214 651 A C 2.280 179.284 177.584 -0.965 0.000 1.183 651 A CA 1.494 53.107 52.037 -0.707 0.000 0.622 651 A CB -0.872 18.058 19.000 -0.117 0.000 0.824 651 A HN 0.513 nan 8.150 nan 0.000 0.444 652 T N -2.030 112.309 114.554 -0.358 0.000 2.867 652 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 652 T C 1.957 176.550 174.700 -0.179 0.000 1.057 652 T CA 1.300 63.313 62.100 -0.145 0.000 1.136 652 T CB -0.305 68.595 68.868 0.054 0.000 0.874 652 T HN 0.462 nan 8.240 nan 0.000 0.466 653 R N 1.144 121.516 120.500 -0.213 0.000 2.092 653 R HA 0.141 4.481 4.340 -0.000 0.000 0.231 653 R C 2.666 178.840 176.300 -0.209 0.000 1.119 653 R CA 1.140 57.150 56.100 -0.150 0.000 0.970 653 R CB -0.580 29.660 30.300 -0.101 0.000 0.864 653 R HN 0.493 nan 8.270 nan 0.000 0.440 654 A N -0.070 122.489 122.820 -0.434 0.000 2.014 654 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 654 A C 1.432 178.861 177.584 -0.258 0.000 1.163 654 A CA 0.814 52.587 52.037 -0.439 0.000 0.652 654 A CB -0.261 18.225 19.000 -0.856 0.000 0.808 654 A HN 0.311 nan 8.150 nan 0.000 0.449 655 F N 0.006 119.814 119.950 -0.237 0.000 2.743 655 F HA 0.124 4.651 4.527 -0.000 0.000 0.297 655 F C 2.116 177.819 175.800 -0.161 0.000 1.131 655 F CA 0.445 58.319 58.000 -0.210 0.000 1.426 655 F CB -0.487 38.372 39.000 -0.235 0.000 1.116 655 F HN 0.100 nan 8.300 nan 0.000 0.583 656 S N -1.055 114.660 115.700 0.026 0.000 2.517 656 S HA 0.020 4.490 4.470 -0.000 0.000 0.214 656 S C 1.850 176.447 174.600 -0.005 0.000 0.991 656 S CA 0.079 58.283 58.200 0.006 0.000 0.906 656 S CB 0.240 63.449 63.200 0.016 0.000 0.789 656 S HN 0.259 nan 8.310 nan 0.000 0.513 657 Q N 1.195 120.987 119.800 -0.014 0.000 2.263 657 Q HA 0.252 4.592 4.340 -0.000 0.000 0.196 657 Q C 1.357 177.354 176.000 -0.005 0.000 0.965 657 Q CA 0.774 56.570 55.803 -0.012 0.000 0.851 657 Q CB -0.065 28.661 28.738 -0.020 0.000 0.948 657 Q HN 0.675 nan 8.270 nan 0.000 0.516 658 I N -1.462 119.109 120.570 0.002 0.000 3.478 658 I HA 0.462 4.632 4.170 -0.000 0.000 0.347 658 I C -0.482 175.634 176.117 -0.002 0.000 1.443 658 I CA -0.295 61.008 61.300 0.005 0.000 1.097 658 I CB 0.221 38.232 38.000 0.017 0.000 1.598 658 I HN -0.184 nan 8.210 nan 0.000 0.474 659 K N 1.525 121.916 120.400 -0.014 0.000 2.575 659 K HA 0.298 4.618 4.320 -0.000 0.000 0.279 659 K C -1.126 175.447 176.600 -0.046 0.000 0.969 659 K CA -0.558 55.705 56.287 -0.041 0.000 0.868 659 K CB 1.886 34.353 32.500 -0.056 0.000 1.457 659 K HN 0.402 nan 8.250 nan 0.000 0.426 660 D N 1.222 121.588 120.400 -0.058 0.000 2.891 660 D HA 0.358 4.998 4.640 -0.000 0.000 0.312 660 D C -0.429 175.836 176.300 -0.059 0.000 1.354 660 D CA -0.312 53.659 54.000 -0.048 0.000 0.838 660 D CB 0.977 41.754 40.800 -0.039 0.000 1.117 660 D HN 0.436 nan 8.370 nan 0.000 0.473 661 A N 0.149 122.918 122.820 -0.086 0.000 2.733 661 A HA 0.703 5.023 4.320 -0.000 0.000 0.299 661 A C -1.320 176.174 177.584 -0.151 0.000 1.252 661 A CA -0.806 51.170 52.037 -0.102 0.000 0.677 661 A CB 1.226 20.151 19.000 -0.124 0.000 1.361 661 A HN 0.097 nan 8.150 nan 0.000 0.528 662 M N 1.406 120.888 119.600 -0.197 0.000 2.268 662 M HA 0.445 4.925 4.480 -0.000 0.000 0.340 662 M C -1.121 174.692 176.300 -0.811 0.000 1.099 662 M CA -0.056 55.013 55.300 -0.386 0.000 1.053 662 M CB 0.821 33.418 32.600 -0.004 0.000 1.284 662 M HN 0.332 nan 8.290 nan 0.000 0.410 663 V N 3.469 122.836 119.914 -0.911 0.000 2.581 663 V HA 0.685 4.805 4.120 -0.000 0.000 0.303 663 V C -0.309 175.269 176.094 -0.860 0.000 1.041 663 V CA -0.519 61.309 62.300 -0.787 0.000 0.907 663 V CB 1.478 32.959 31.823 -0.571 0.000 0.994 663 V HN 0.603 nan 8.190 nan 0.000 0.442 664 F N 0.865 120.915 119.950 0.168 0.000 3.305 664 F HA 0.965 5.492 4.527 -0.000 0.000 0.292 664 F C 0.218 176.216 175.800 0.329 0.000 1.516 664 F CA -0.579 57.573 58.000 0.254 0.000 1.010 664 F CB 0.775 39.912 39.000 0.227 0.000 1.738 664 F HN 0.651 nan 8.300 nan 0.000 0.402 665 A N 0.553 123.702 122.820 0.549 0.000 1.853 665 A HA 0.507 4.827 4.320 -0.000 0.000 0.260 665 A C -1.738 176.033 177.584 0.311 0.000 0.973 665 A CA -0.792 51.461 52.037 0.360 0.000 0.811 665 A CB -0.875 18.375 19.000 0.416 0.000 0.795 665 A HN 0.832 nan 8.150 nan 0.000 0.331 666 F N 0.696 120.817 119.950 0.286 0.000 2.556 666 F HA 0.811 5.338 4.527 -0.000 0.000 0.327 666 F C 0.209 176.120 175.800 0.185 0.000 1.059 666 F CA -1.297 56.809 58.000 0.176 0.000 0.953 666 F CB 0.687 39.758 39.000 0.118 0.000 1.227 666 F HN 0.549 nan 8.300 nan 0.000 0.478 667 N N 0.739 119.612 118.700 0.289 0.000 2.354 667 N HA 0.265 5.005 4.740 -0.000 0.000 0.246 667 N C -1.175 174.484 175.510 0.247 0.000 1.285 667 N CA -0.811 52.344 53.050 0.174 0.000 0.925 667 N CB 0.597 39.143 38.487 0.098 0.000 1.174 667 N HN 0.565 nan 8.380 nan 0.000 0.478 668 L N 1.783 123.100 121.223 0.156 0.000 2.314 668 L HA 0.289 4.629 4.340 -0.000 0.000 0.275 668 L C -1.740 175.165 176.870 0.058 0.000 1.068 668 L CA -1.752 53.169 54.840 0.134 0.000 0.894 668 L CB 0.821 42.924 42.059 0.074 0.000 1.275 668 L HN 0.544 nan 8.230 nan 0.000 0.432 669 P HA -0.020 nan 4.420 nan 0.000 0.221 669 P C 0.836 178.095 177.300 -0.069 0.000 1.150 669 P CA 1.191 64.290 63.100 -0.002 0.000 0.800 669 P CB 0.425 32.121 31.700 -0.006 0.000 0.787 670 A N -1.556 121.218 122.820 -0.077 0.000 5.553 670 A HA -0.311 4.009 4.320 -0.000 0.000 0.268 670 A C 0.949 178.378 177.584 -0.259 0.000 2.171 670 A CA 0.801 52.728 52.037 -0.182 0.000 0.714 670 A CB -2.175 16.657 19.000 -0.280 0.000 1.097 670 A HN 0.156 nan 8.150 nan 0.000 0.349 671 I N -4.478 115.794 120.570 -0.497 0.000 4.908 671 I HA -0.315 3.855 4.170 -0.000 0.000 0.038 671 I C 1.085 177.114 176.117 -0.147 0.000 0.635 671 I CA 2.333 63.438 61.300 -0.325 0.000 0.202 671 I CB -1.780 36.104 38.000 -0.193 0.000 0.318 671 I HN 1.702 nan 8.210 nan 0.000 0.150 672 V N -1.671 118.213 119.914 -0.050 0.000 3.703 672 V HA 0.325 4.445 4.120 -0.000 0.000 0.306 672 V C 0.765 176.840 176.094 -0.031 0.000 1.407 672 V CA -0.419 61.866 62.300 -0.025 0.000 0.974 672 V CB 0.997 32.828 31.823 0.013 0.000 1.188 672 V HN 0.628 nan 8.190 nan 0.000 0.477 673 E N 0.472 120.654 120.200 -0.030 0.000 2.230 673 E HA 0.076 4.425 4.350 -0.000 0.000 0.192 673 E C 0.791 177.379 176.600 -0.020 0.000 0.987 673 E CA 0.421 56.790 56.400 -0.052 0.000 0.841 673 E CB 0.234 29.894 29.700 -0.067 0.000 0.783 673 E HN 0.570 nan 8.360 nan 0.000 0.481 674 L N -1.992 119.240 121.223 0.015 0.000 2.479 674 L HA 0.518 4.858 4.340 -0.000 0.000 0.249 674 L C 0.834 177.740 176.870 0.060 0.000 1.178 674 L CA 0.222 55.081 54.840 0.031 0.000 0.811 674 L CB 0.535 42.621 42.059 0.044 0.000 1.187 674 L HN 0.178 nan 8.230 nan 0.000 0.480 675 G N 0.218 109.047 108.800 0.049 0.000 2.289 675 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.280 675 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.280 675 G C 0.386 175.370 174.900 0.139 0.000 1.089 675 G CA 0.351 45.508 45.100 0.094 0.000 0.939 675 G HN 0.958 nan 8.290 nan 0.000 0.499 676 T N -0.349 114.241 114.554 0.060 0.000 2.985 676 T HA 0.458 4.808 4.350 -0.000 0.000 0.266 676 T C 1.456 176.187 174.700 0.053 0.000 1.076 676 T CA 1.538 63.662 62.100 0.039 0.000 1.135 676 T CB -0.077 68.784 68.868 -0.012 0.000 0.890 676 T HN 2.388 nan 8.240 nan 0.000 0.480 677 A N 1.757 124.611 122.820 0.057 0.000 2.429 677 A HA 0.186 4.506 4.320 -0.000 0.000 0.684 677 A C 0.884 178.489 177.584 0.035 0.000 0.143 677 A CA 0.800 52.872 52.037 0.058 0.000 0.046 677 A CB -2.202 16.850 19.000 0.087 0.000 3.961 677 A HN 1.805 nan 8.150 nan 0.000 0.546 678 T N -1.192 113.383 114.554 0.035 0.000 3.886 678 T HA 0.334 4.684 4.350 -0.000 0.000 0.371 678 T C 1.252 175.969 174.700 0.029 0.000 0.760 678 T CA 2.001 64.121 62.100 0.034 0.000 1.966 678 T CB -2.224 66.658 68.868 0.023 0.000 1.793 678 T HN 3.134 nan 8.240 nan 0.000 0.798 679 G N 0.611 109.433 108.800 0.037 0.000 2.733 679 G HA2 0.667 4.627 3.960 -0.000 0.000 0.297 679 G HA3 0.667 4.627 3.960 -0.000 0.000 0.297 679 G C -0.890 174.035 174.900 0.042 0.000 1.452 679 G CA -0.518 44.571 45.100 -0.018 0.000 0.940 679 G HN 1.187 nan 8.290 nan 0.000 0.547 680 F N -0.277 119.669 119.950 -0.007 0.000 2.679 680 F HA 0.915 5.442 4.527 -0.000 0.000 0.341 680 F C -1.223 174.633 175.800 0.093 0.000 1.095 680 F CA -1.572 56.446 58.000 0.030 0.000 1.004 680 F CB 2.303 41.364 39.000 0.102 0.000 1.388 680 F HN 0.336 nan 8.300 nan 0.000 0.505 681 D N 0.871 121.571 120.400 0.501 0.000 2.375 681 D HA 0.236 4.876 4.640 -0.000 0.000 0.241 681 D C -1.810 174.786 176.300 0.493 0.000 1.361 681 D CA -0.108 54.085 54.000 0.322 0.000 0.995 681 D CB 1.218 42.080 40.800 0.103 0.000 1.312 681 D HN 0.428 nan 8.370 nan 0.000 0.576 682 F N 1.991 122.089 119.950 0.246 0.000 2.370 682 F HA 0.564 5.091 4.527 -0.000 0.000 0.319 682 F C 0.095 175.746 175.800 -0.249 0.000 1.129 682 F CA -0.468 57.393 58.000 -0.232 0.000 1.109 682 F CB 1.251 40.063 39.000 -0.313 0.000 1.262 682 F HN 0.242 nan 8.300 nan 0.000 0.534 683 E N 2.462 122.013 120.200 -1.082 0.000 2.321 683 E HA 0.448 4.798 4.350 -0.000 0.000 0.278 683 E C -2.262 173.800 176.600 -0.897 0.000 0.902 683 E CA -0.817 55.127 56.400 -0.759 0.000 0.758 683 E CB 1.560 30.856 29.700 -0.674 0.000 1.213 683 E HN 0.529 nan 8.360 nan 0.000 0.426 684 L N 5.757 126.711 121.223 -0.449 0.000 2.276 684 L HA 0.598 4.938 4.340 -0.000 0.000 0.286 684 L C -1.593 175.179 176.870 -0.163 0.000 1.024 684 L CA -0.202 54.481 54.840 -0.261 0.000 0.826 684 L CB 0.686 42.700 42.059 -0.075 0.000 1.211 684 L HN 0.620 nan 8.230 nan 0.000 0.422 685 I N 3.676 124.168 120.570 -0.130 0.000 2.437 685 I HA 0.280 4.450 4.170 -0.000 0.000 0.298 685 I C -0.458 175.643 176.117 -0.027 0.000 0.984 685 I CA -0.514 60.748 61.300 -0.063 0.000 1.214 685 I CB 1.689 39.663 38.000 -0.044 0.000 1.365 685 I HN 0.637 nan 8.210 nan 0.000 0.469 686 D N 4.368 124.758 120.400 -0.016 0.000 2.428 686 D HA 0.147 4.787 4.640 -0.000 0.000 0.221 686 D C 0.448 176.745 176.300 -0.004 0.000 1.123 686 D CA -0.165 53.832 54.000 -0.006 0.000 0.869 686 D CB 1.289 42.086 40.800 -0.005 0.000 1.032 686 D HN 0.376 nan 8.370 nan 0.000 0.506 687 Q N 2.949 122.747 119.800 -0.004 0.000 2.123 687 Q HA 0.256 4.596 4.340 -0.000 0.000 0.196 687 Q C 0.740 176.738 176.000 -0.003 0.000 0.958 687 Q CA 0.736 56.535 55.803 -0.007 0.000 0.841 687 Q CB 0.145 28.875 28.738 -0.012 0.000 0.915 687 Q HN 0.629 nan 8.270 nan 0.000 0.455 688 A N -0.831 121.990 122.820 0.001 0.000 2.296 688 A HA 0.543 4.863 4.320 -0.000 0.000 0.276 688 A C 0.809 178.396 177.584 0.005 0.000 1.356 688 A CA 0.032 52.071 52.037 0.003 0.000 0.825 688 A CB -0.397 18.607 19.000 0.006 0.000 1.308 688 A HN 0.380 nan 8.150 nan 0.000 0.515 689 G N -0.145 108.660 108.800 0.007 0.000 3.943 689 G HA2 0.483 4.442 3.960 -0.000 0.000 0.275 689 G HA3 0.483 4.442 3.960 -0.000 0.000 0.275 689 G C -0.004 174.904 174.900 0.014 0.000 1.234 689 G CA -0.305 44.800 45.100 0.009 0.000 1.522 689 G HN 0.441 nan 8.290 nan 0.000 0.636 690 L N -0.158 121.075 121.223 0.016 0.000 2.431 690 L HA 0.756 5.096 4.340 -0.000 0.000 0.260 690 L C 1.215 178.104 176.870 0.031 0.000 1.098 690 L CA -1.019 53.834 54.840 0.023 0.000 0.800 690 L CB 0.769 42.842 42.059 0.024 0.000 1.210 690 L HN 0.199 nan 8.230 nan 0.000 0.465 691 G N -2.026 106.801 108.800 0.045 0.000 2.606 691 G HA2 0.125 4.085 3.960 -0.000 0.000 0.262 691 G HA3 0.125 4.085 3.960 -0.000 0.000 0.262 691 G C 0.404 175.370 174.900 0.110 0.000 1.394 691 G CA -0.101 45.041 45.100 0.069 0.000 1.044 691 G HN 0.724 nan 8.290 nan 0.000 0.553 692 H N 0.308 119.387 119.070 0.016 0.000 2.363 692 H HA -0.077 4.479 4.556 -0.000 0.000 0.301 692 H C 2.490 177.827 175.328 0.014 0.000 1.074 692 H CA 1.975 58.033 56.048 0.018 0.000 1.354 692 H CB -0.029 29.748 29.762 0.025 0.000 1.397 692 H HN 0.677 nan 8.280 nan 0.000 0.516 693 E N 0.776 121.067 120.200 0.152 0.000 2.204 693 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 693 E C 1.654 178.294 176.600 0.066 0.000 0.990 693 E CA 0.942 57.371 56.400 0.049 0.000 0.821 693 E CB -0.134 29.567 29.700 0.001 0.000 0.750 693 E HN 0.417 nan 8.360 nan 0.000 0.477 694 K N 0.464 120.909 120.400 0.074 0.000 2.243 694 K HA 0.098 4.418 4.320 -0.000 0.000 0.201 694 K C 2.316 178.948 176.600 0.055 0.000 1.051 694 K CA 0.267 56.584 56.287 0.051 0.000 0.970 694 K CB 0.021 32.545 32.500 0.039 0.000 0.755 694 K HN 0.155 nan 8.250 nan 0.000 0.465 695 L N 1.148 122.416 121.223 0.076 0.000 2.217 695 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 695 L C 2.021 178.931 176.870 0.066 0.000 1.107 695 L CA 1.001 55.873 54.840 0.052 0.000 0.783 695 L CB -0.154 41.915 42.059 0.017 0.000 0.919 695 L HN 0.146 nan 8.230 nan 0.000 0.442 696 T N -1.357 113.266 114.554 0.116 0.000 2.777 696 T HA -0.231 4.119 4.350 -0.000 0.000 0.266 696 T C 1.709 176.435 174.700 0.044 0.000 1.040 696 T CA 1.247 63.406 62.100 0.098 0.000 1.141 696 T CB -0.001 68.931 68.868 0.107 0.000 0.868 696 T HN 0.209 nan 8.240 nan 0.000 0.444 697 Q N 0.991 120.810 119.800 0.033 0.000 2.172 697 Q HA 0.168 4.508 4.340 -0.000 0.000 0.200 697 Q C 2.200 178.209 176.000 0.016 0.000 0.964 697 Q CA 1.379 57.191 55.803 0.015 0.000 0.855 697 Q CB -0.498 28.247 28.738 0.011 0.000 0.918 697 Q HN 0.500 nan 8.270 nan 0.000 0.444 698 A N 0.630 123.463 122.820 0.023 0.000 1.968 698 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 698 A C 2.044 179.640 177.584 0.020 0.000 1.169 698 A CA 1.421 53.471 52.037 0.022 0.000 0.638 698 A CB -0.559 18.456 19.000 0.025 0.000 0.812 698 A HN 0.442 nan 8.150 nan 0.000 0.446 699 R N -0.180 120.334 120.500 0.022 0.000 2.119 699 R HA -0.020 4.320 4.340 -0.000 0.000 0.222 699 R C 1.301 177.608 176.300 0.012 0.000 1.088 699 R CA 1.629 57.741 56.100 0.021 0.000 0.984 699 R CB -0.515 29.799 30.300 0.022 0.000 0.884 699 R HN 0.525 nan 8.270 nan 0.000 0.447 700 N N 0.348 119.053 118.700 0.008 0.000 2.396 700 N HA -0.122 4.618 4.740 -0.000 0.000 0.180 700 N C 1.634 177.140 175.510 -0.008 0.000 1.028 700 N CA 0.818 53.867 53.050 -0.001 0.000 0.893 700 N CB 0.123 38.607 38.487 -0.004 0.000 0.967 700 N HN 0.352 nan 8.380 nan 0.000 0.440 701 Q N 0.132 119.930 119.800 -0.004 0.000 2.331 701 Q HA 0.078 4.418 4.340 -0.000 0.000 0.203 701 Q C 1.854 177.843 176.000 -0.018 0.000 0.944 701 Q CA 0.318 56.117 55.803 -0.007 0.000 0.892 701 Q CB 0.285 29.023 28.738 0.001 0.000 0.983 701 Q HN 0.393 nan 8.270 nan 0.000 0.482 702 L N -0.283 120.929 121.223 -0.019 0.000 2.095 702 L HA -0.040 4.300 4.340 -0.000 0.000 0.204 702 L C 1.727 178.561 176.870 -0.061 0.000 1.080 702 L CA 0.887 55.702 54.840 -0.042 0.000 0.759 702 L CB 0.049 42.096 42.059 -0.020 0.000 0.914 702 L HN 0.216 nan 8.230 nan 0.000 0.439 703 L N -0.256 120.944 121.223 -0.038 0.000 2.156 703 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 703 L C 2.708 179.544 176.870 -0.057 0.000 1.095 703 L CA 0.972 55.788 54.840 -0.040 0.000 0.770 703 L CB -0.754 41.293 42.059 -0.020 0.000 0.914 703 L HN 0.325 nan 8.230 nan 0.000 0.439 704 A N -0.643 122.146 122.820 -0.051 0.000 1.930 704 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 704 A C 2.230 179.760 177.584 -0.091 0.000 1.176 704 A CA 0.967 52.971 52.037 -0.055 0.000 0.632 704 A CB -0.217 18.764 19.000 -0.032 0.000 0.819 704 A HN 0.273 nan 8.150 nan 0.000 0.445 705 E N 0.056 120.195 120.200 -0.100 0.000 2.150 705 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 705 E C 2.255 178.607 176.600 -0.414 0.000 0.985 705 E CA 1.078 57.380 56.400 -0.162 0.000 0.814 705 E CB -0.341 29.331 29.700 -0.046 0.000 0.752 705 E HN 0.571 nan 8.360 nan 0.000 0.466 706 A N 1.105 123.759 122.820 -0.277 0.000 1.930 706 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 706 A C 2.218 179.657 177.584 -0.242 0.000 1.175 706 A CA 1.545 53.417 52.037 -0.275 0.000 0.627 706 A CB -0.170 18.738 19.000 -0.152 0.000 0.815 706 A HN 0.215 nan 8.150 nan 0.000 0.443 707 A N -0.368 122.348 122.820 -0.173 0.000 2.275 707 A HA 0.218 4.538 4.320 -0.000 0.000 0.212 707 A C 1.684 179.202 177.584 -0.109 0.000 1.201 707 A CA 1.201 53.170 52.037 -0.114 0.000 0.843 707 A CB -0.201 18.757 19.000 -0.070 0.000 0.873 707 A HN 0.614 nan 8.150 nan 0.000 0.492 708 K N -0.516 119.787 120.400 -0.162 0.000 2.399 708 K HA 0.075 4.395 4.320 -0.000 0.000 0.196 708 K C 0.812 177.399 176.600 -0.023 0.000 1.103 708 K CA 0.866 57.105 56.287 -0.080 0.000 0.986 708 K CB -0.103 32.374 32.500 -0.039 0.000 0.952 708 K HN 0.553 nan 8.250 nan 0.000 0.541 709 H N -0.126 118.933 119.070 -0.019 0.000 2.676 709 H HA 0.426 4.982 4.556 -0.000 0.000 0.238 709 H C -2.537 172.780 175.328 -0.019 0.000 1.276 709 H CA -1.693 54.344 56.048 -0.018 0.000 0.983 709 H CB 0.147 29.896 29.762 -0.021 0.000 2.000 709 H HN 0.054 nan 8.280 nan 0.000 0.584 710 P HA 0.224 nan 4.420 nan 0.000 0.290 710 P C -0.249 177.066 177.300 0.026 0.000 1.276 710 P CA 0.093 63.199 63.100 0.011 0.000 0.808 710 P CB 1.666 33.347 31.700 -0.031 0.000 0.966 711 D N 2.921 123.338 120.400 0.030 0.000 2.862 711 D HA -0.134 4.506 4.640 -0.000 0.000 0.218 711 D C -0.616 175.696 176.300 0.020 0.000 1.034 711 D CA -0.012 54.008 54.000 0.033 0.000 0.797 711 D CB -2.100 38.734 40.800 0.057 0.000 1.027 711 D HN 0.376 nan 8.370 nan 0.000 0.438 712 M N -0.537 119.072 119.600 0.014 0.000 3.241 712 M HA -0.256 4.224 4.480 -0.000 0.000 0.169 712 M C 0.634 176.940 176.300 0.010 0.000 1.333 712 M CA 0.678 55.985 55.300 0.011 0.000 0.838 712 M CB -0.926 31.680 32.600 0.011 0.000 1.258 712 M HN 0.422 nan 8.290 nan 0.000 0.656 713 L N -0.109 121.118 121.223 0.007 0.000 2.136 713 L HA 0.602 4.942 4.340 -0.000 0.000 0.164 713 L C 0.888 177.762 176.870 0.006 0.000 0.785 713 L CA 0.851 55.692 54.840 0.002 0.000 1.155 713 L CB -1.214 40.843 42.059 -0.003 0.000 1.300 713 L HN 0.621 nan 8.230 nan 0.000 0.449 714 T N -3.921 110.635 114.554 0.003 0.000 2.661 714 T HA 0.643 4.993 4.350 -0.000 0.000 0.305 714 T C -0.822 173.879 174.700 0.002 0.000 1.441 714 T CA -0.224 61.887 62.100 0.017 0.000 0.999 714 T CB 0.753 69.634 68.868 0.023 0.000 1.650 714 T HN 1.202 nan 8.240 nan 0.000 0.489 715 S N -0.243 115.459 115.700 0.002 0.000 2.706 715 S HA 0.650 5.120 4.470 -0.000 0.000 0.270 715 S C -0.981 173.593 174.600 -0.043 0.000 1.163 715 S CA -0.747 57.436 58.200 -0.028 0.000 1.042 715 S CB 0.823 63.996 63.200 -0.046 0.000 1.079 715 S HN 1.712 nan 8.310 nan 0.000 0.474 716 V N 0.726 120.620 119.914 -0.035 0.000 2.569 716 V HA 0.903 5.023 4.120 -0.000 0.000 0.301 716 V C -0.799 175.274 176.094 -0.036 0.000 1.044 716 V CA -0.741 61.540 62.300 -0.030 0.000 0.874 716 V CB 1.579 33.407 31.823 0.008 0.000 1.002 716 V HN 0.906 nan 8.190 nan 0.000 0.424 717 R N 3.672 124.143 120.500 -0.049 0.000 2.739 717 R HA 0.694 5.034 4.340 -0.000 0.000 0.271 717 R C -3.086 173.194 176.300 -0.033 0.000 1.010 717 R CA -1.886 54.191 56.100 -0.038 0.000 0.897 717 R CB 2.858 33.130 30.300 -0.047 0.000 1.236 717 R HN 0.577 nan 8.270 nan 0.000 0.466 718 P HA 0.138 nan 4.420 nan 0.000 0.274 718 P C 0.050 177.339 177.300 -0.018 0.000 1.246 718 P CA -0.221 62.873 63.100 -0.009 0.000 0.795 718 P CB 0.953 32.657 31.700 0.007 0.000 1.006 719 N N 0.156 118.848 118.700 -0.014 0.000 2.333 719 N HA 0.042 4.782 4.740 -0.000 0.000 0.178 719 N C 0.554 176.067 175.510 0.006 0.000 1.018 719 N CA 1.284 54.323 53.050 -0.017 0.000 0.882 719 N CB -0.004 38.472 38.487 -0.017 0.000 0.984 719 N HN 0.685 nan 8.380 nan 0.000 0.434 720 G N -0.234 108.579 108.800 0.022 0.000 3.541 720 G HA2 0.203 4.163 3.960 -0.000 0.000 0.236 720 G HA3 0.203 4.163 3.960 -0.000 0.000 0.236 720 G C -1.171 173.761 174.900 0.054 0.000 3.926 720 G CA -0.505 44.620 45.100 0.042 0.000 0.465 720 G HN 0.105 nan 8.290 nan 0.000 0.274 721 L N 0.312 121.568 121.223 0.055 0.000 2.839 721 L HA 0.432 4.772 4.340 -0.000 0.000 0.259 721 L C 1.298 178.213 176.870 0.076 0.000 1.369 721 L CA -0.424 54.461 54.840 0.076 0.000 0.845 721 L CB 1.169 43.273 42.059 0.076 0.000 1.181 721 L HN 0.166 nan 8.230 nan 0.000 0.529 722 E N 0.610 120.854 120.200 0.073 0.000 2.268 722 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 722 E C -0.164 176.481 176.600 0.074 0.000 0.995 722 E CA 0.503 56.943 56.400 0.067 0.000 0.836 722 E CB -0.004 29.737 29.700 0.069 0.000 0.763 722 E HN 0.525 nan 8.360 nan 0.000 0.491 723 D N -0.531 119.927 120.400 0.096 0.000 4.736 723 D HA -0.124 4.516 4.640 -0.000 0.000 0.234 723 D C -1.029 175.379 176.300 0.180 0.000 1.210 723 D CA 1.003 55.073 54.000 0.116 0.000 1.126 723 D CB -0.319 40.511 40.800 0.050 0.000 0.669 723 D HN 0.169 nan 8.370 nan 0.000 0.319 724 T N 1.256 115.929 114.554 0.200 0.000 2.924 724 T HA 0.872 5.222 4.350 -0.000 0.000 0.291 724 T C -2.740 172.074 174.700 0.190 0.000 1.045 724 T CA -1.842 60.379 62.100 0.202 0.000 1.015 724 T CB 2.272 71.220 68.868 0.133 0.000 1.103 724 T HN 0.027 nan 8.240 nan 0.000 0.496 725 P HA 0.338 nan 4.420 nan 0.000 0.272 725 P C -0.982 176.418 177.300 0.168 0.000 1.230 725 P CA -0.465 62.611 63.100 -0.040 0.000 0.788 725 P CB 0.318 31.950 31.700 -0.113 0.000 0.949 726 Q N 0.511 120.409 119.800 0.163 0.000 2.305 726 Q HA 0.373 4.713 4.340 -0.000 0.000 0.271 726 Q C -1.355 174.648 176.000 0.006 0.000 1.046 726 Q CA -0.620 55.246 55.803 0.104 0.000 0.798 726 Q CB 1.883 30.649 28.738 0.046 0.000 1.286 726 Q HN 0.329 nan 8.270 nan 0.000 0.435 727 F N 3.149 122.899 119.950 -0.332 0.000 2.439 727 F HA 0.210 4.737 4.527 -0.000 0.000 0.356 727 F C 0.209 175.777 175.800 -0.387 0.000 1.161 727 F CA -0.153 57.475 58.000 -0.620 0.000 1.151 727 F CB 0.317 38.818 39.000 -0.833 0.000 1.222 727 F HN 0.309 nan 8.300 nan 0.000 0.558 728 K N 5.951 125.973 120.400 -0.630 0.000 2.174 728 K HA 0.555 4.875 4.320 -0.000 0.000 0.275 728 K C -0.999 175.235 176.600 -0.610 0.000 1.015 728 K CA -0.376 55.636 56.287 -0.459 0.000 0.933 728 K CB 0.693 33.017 32.500 -0.292 0.000 1.025 728 K HN 0.666 nan 8.250 nan 0.000 0.463 729 I N 3.753 124.105 120.570 -0.362 0.000 2.495 729 I HA 0.132 4.302 4.170 -0.000 0.000 0.277 729 I C -1.068 174.968 176.117 -0.135 0.000 1.045 729 I CA -0.835 60.306 61.300 -0.264 0.000 1.135 729 I CB 1.615 39.522 38.000 -0.154 0.000 1.241 729 I HN 0.625 nan 8.210 nan 0.000 0.469 730 D N 6.987 127.310 120.400 -0.128 0.000 2.344 730 D HA 0.277 4.917 4.640 -0.000 0.000 0.253 730 D C 0.002 176.291 176.300 -0.019 0.000 1.255 730 D CA 0.288 54.246 54.000 -0.071 0.000 0.894 730 D CB 0.769 41.526 40.800 -0.071 0.000 1.067 730 D HN 0.334 nan 8.370 nan 0.000 0.492 731 I N 2.399 122.966 120.570 -0.004 0.000 2.301 731 I HA 0.097 4.267 4.170 -0.000 0.000 0.292 731 I C 0.343 176.456 176.117 -0.005 0.000 1.046 731 I CA -0.607 60.709 61.300 0.027 0.000 1.282 731 I CB 0.826 38.819 38.000 -0.013 0.000 1.409 731 I HN 0.219 nan 8.210 nan 0.000 0.484 732 D N 5.632 126.045 120.400 0.022 0.000 2.371 732 D HA 0.014 4.654 4.640 -0.000 0.000 0.256 732 D C 1.109 177.392 176.300 -0.028 0.000 1.193 732 D CA 0.134 54.135 54.000 0.002 0.000 0.881 732 D CB 1.031 41.844 40.800 0.022 0.000 1.143 732 D HN 0.406 nan 8.370 nan 0.000 0.473 733 Q N 2.781 122.555 119.800 -0.043 0.000 2.083 733 Q HA -0.154 4.186 4.340 -0.000 0.000 0.198 733 Q C 1.627 177.594 176.000 -0.056 0.000 0.969 733 Q CA 1.094 56.857 55.803 -0.067 0.000 0.838 733 Q CB 0.020 28.726 28.738 -0.055 0.000 0.900 733 Q HN 0.762 nan 8.270 nan 0.000 0.436 734 E N 0.494 120.675 120.200 -0.032 0.000 2.150 734 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 734 E C 1.764 178.356 176.600 -0.013 0.000 0.985 734 E CA 0.707 57.094 56.400 -0.022 0.000 0.814 734 E CB -0.100 29.593 29.700 -0.012 0.000 0.752 734 E HN 0.102 nan 8.360 nan 0.000 0.466 735 K N 0.715 121.115 120.400 -0.000 0.000 2.097 735 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 735 K C 2.292 178.904 176.600 0.019 0.000 1.050 735 K CA 1.041 57.346 56.287 0.029 0.000 0.938 735 K CB -0.137 32.405 32.500 0.070 0.000 0.718 735 K HN 0.224 nan 8.250 nan 0.000 0.442 736 A N 1.729 124.519 122.820 -0.051 0.000 1.855 736 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 736 A C 2.045 179.567 177.584 -0.102 0.000 1.191 736 A CA 1.258 53.199 52.037 -0.161 0.000 0.613 736 A CB -0.474 18.323 19.000 -0.338 0.000 0.829 736 A HN 0.311 nan 8.150 nan 0.000 0.442 737 Q N -0.621 119.131 119.800 -0.080 0.000 2.291 737 Q HA -0.027 4.313 4.340 -0.000 0.000 0.205 737 Q C 2.290 178.274 176.000 -0.027 0.000 0.970 737 Q CA 0.904 56.674 55.803 -0.055 0.000 0.876 737 Q CB -0.336 28.373 28.738 -0.048 0.000 0.935 737 Q HN 0.693 nan 8.270 nan 0.000 0.455 738 A N 1.223 124.034 122.820 -0.014 0.000 1.898 738 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 738 A C 2.017 179.607 177.584 0.010 0.000 1.181 738 A CA 1.062 53.099 52.037 0.001 0.000 0.620 738 A CB -0.513 18.493 19.000 0.010 0.000 0.819 738 A HN 0.307 nan 8.150 nan 0.000 0.442 739 L N -1.820 119.415 121.223 0.019 0.000 2.313 739 L HA 0.238 4.578 4.340 -0.000 0.000 0.214 739 L C 1.428 178.312 176.870 0.023 0.000 1.119 739 L CA 0.560 55.420 54.840 0.034 0.000 0.809 739 L CB -0.683 41.418 42.059 0.070 0.000 0.933 739 L HN 0.580 nan 8.230 nan 0.000 0.449 740 G N 1.374 110.175 108.800 0.001 0.000 2.392 740 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.215 740 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.215 740 G C -0.190 174.701 174.900 -0.015 0.000 1.097 740 G CA -0.142 44.955 45.100 -0.006 0.000 0.840 740 G HN 0.182 nan 8.290 nan 0.000 0.492 741 V N -2.103 117.781 119.914 -0.050 0.000 2.495 741 V HA 0.893 5.013 4.120 -0.000 0.000 0.298 741 V C 0.709 176.735 176.094 -0.114 0.000 1.031 741 V CA -0.450 61.803 62.300 -0.079 0.000 0.871 741 V CB 1.630 33.375 31.823 -0.131 0.000 0.988 741 V HN 0.816 nan 8.190 nan 0.000 0.432 742 S N 2.205 117.855 115.700 -0.083 0.000 2.576 742 S HA 0.437 4.907 4.470 -0.000 0.000 0.276 742 S C 0.947 175.476 174.600 -0.117 0.000 1.339 742 S CA -0.401 57.752 58.200 -0.079 0.000 1.039 742 S CB 0.507 63.682 63.200 -0.041 0.000 0.902 742 S HN 0.649 nan 8.310 nan 0.000 0.516 743 I N 4.100 124.603 120.570 -0.111 0.000 2.546 743 I HA -0.076 4.094 4.170 -0.000 0.000 0.255 743 I C 1.983 178.055 176.117 -0.075 0.000 1.163 743 I CA 0.567 61.793 61.300 -0.122 0.000 1.457 743 I CB -0.287 37.653 38.000 -0.101 0.000 1.092 743 I HN 0.544 nan 8.210 nan 0.000 0.434 744 N N 0.807 119.479 118.700 -0.046 0.000 2.106 744 N HA -0.178 4.562 4.740 -0.000 0.000 0.188 744 N C 1.492 177.000 175.510 -0.004 0.000 1.029 744 N CA 1.431 54.471 53.050 -0.017 0.000 0.848 744 N CB -0.428 38.054 38.487 -0.009 0.000 1.007 744 N HN 0.370 nan 8.380 nan 0.000 0.423 745 D N 0.671 121.066 120.400 -0.008 0.000 2.144 745 D HA -0.059 4.581 4.640 -0.000 0.000 0.199 745 D C 1.955 178.279 176.300 0.039 0.000 0.984 745 D CA 0.649 54.661 54.000 0.020 0.000 0.834 745 D CB 0.041 40.854 40.800 0.021 0.000 0.955 745 D HN 0.299 nan 8.370 nan 0.000 0.465 746 I N 1.275 121.836 120.570 -0.015 0.000 2.439 746 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 746 I C 1.957 178.131 176.117 0.094 0.000 1.139 746 I CA 0.562 61.865 61.300 0.004 0.000 1.438 746 I CB -0.109 37.744 38.000 -0.246 0.000 1.085 746 I HN -0.101 nan 8.210 nan 0.000 0.427 747 N N -0.212 118.511 118.700 0.039 0.000 2.354 747 N HA -0.120 4.620 4.740 -0.000 0.000 0.179 747 N C 1.843 177.390 175.510 0.062 0.000 1.021 747 N CA 1.449 54.528 53.050 0.049 0.000 0.887 747 N CB -0.145 38.355 38.487 0.022 0.000 0.974 747 N HN 0.258 nan 8.380 nan 0.000 0.437 748 T N -1.010 113.581 114.554 0.061 0.000 3.069 748 T HA 0.125 4.475 4.350 -0.000 0.000 0.252 748 T C 1.331 176.059 174.700 0.047 0.000 1.053 748 T CA 0.372 62.505 62.100 0.055 0.000 0.964 748 T CB 0.024 68.922 68.868 0.051 0.000 1.005 748 T HN 0.022 nan 8.240 nan 0.000 0.532 749 T N 1.507 116.109 114.554 0.080 0.000 2.939 749 T HA 0.161 4.510 4.350 -0.000 0.000 0.254 749 T C 1.597 176.246 174.700 -0.085 0.000 1.041 749 T CA 0.658 62.789 62.100 0.053 0.000 1.142 749 T CB -0.124 68.890 68.868 0.244 0.000 0.874 749 T HN 0.237 nan 8.240 nan 0.000 0.452 750 L N 1.170 122.414 121.223 0.036 0.000 2.162 750 L HA 0.334 4.674 4.340 -0.000 0.000 0.205 750 L C 2.377 179.249 176.870 0.003 0.000 1.086 750 L CA 1.432 56.243 54.840 -0.049 0.000 0.778 750 L CB -0.836 41.244 42.059 0.035 0.000 0.928 750 L HN 0.265 nan 8.230 nan 0.000 0.446 751 G N -1.133 107.680 108.800 0.022 0.000 2.396 751 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.214 751 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.214 751 G C 1.528 176.462 174.900 0.057 0.000 1.166 751 G CA 0.560 45.684 45.100 0.041 0.000 0.793 751 G HN 0.532 nan 8.290 nan 0.000 0.533 752 A N 0.889 123.724 122.820 0.025 0.000 1.930 752 A HA 0.475 4.795 4.320 -0.000 0.000 0.215 752 A C 2.702 180.271 177.584 -0.026 0.000 1.176 752 A CA 1.839 53.889 52.037 0.023 0.000 0.632 752 A CB -0.512 18.495 19.000 0.011 0.000 0.819 752 A HN 0.600 nan 8.150 nan 0.000 0.445 753 A N -1.211 121.511 122.820 -0.163 0.000 1.872 753 A HA -0.011 4.309 4.320 -0.000 0.000 0.214 753 A C 1.926 179.374 177.584 -0.227 0.000 1.187 753 A CA 1.355 53.161 52.037 -0.385 0.000 0.614 753 A CB -0.673 17.607 19.000 -1.200 0.000 0.826 753 A HN 0.690 nan 8.150 nan 0.000 0.442 754 W N -0.918 120.263 121.300 -0.198 0.000 2.601 754 W HA 0.254 4.914 4.660 -0.000 0.000 0.292 754 W C 2.500 179.010 176.519 -0.014 0.000 1.153 754 W CA 0.811 58.107 57.345 -0.082 0.000 1.448 754 W CB -0.728 28.661 29.460 -0.119 0.000 1.113 754 W HN 0.305 nan 8.180 nan 0.000 0.548 755 G N -0.494 108.436 108.800 0.217 0.000 2.603 755 G HA2 0.390 4.350 3.960 -0.000 0.000 0.214 755 G HA3 0.390 4.350 3.960 -0.000 0.000 0.214 755 G C 0.696 175.689 174.900 0.155 0.000 1.140 755 G CA 0.611 45.803 45.100 0.152 0.000 0.800 755 G HN 0.500 nan 8.290 nan 0.000 0.533 756 G N -1.547 107.346 108.800 0.154 0.000 2.712 756 G HA2 0.293 4.253 3.960 -0.000 0.000 0.683 756 G HA3 0.293 4.253 3.960 -0.000 0.000 0.683 756 G C -0.506 174.526 174.900 0.220 0.000 1.320 756 G CA 0.067 45.286 45.100 0.199 0.000 0.847 756 G HN 1.233 nan 8.290 nan 0.000 0.553 757 S N -1.219 114.636 115.700 0.258 0.000 2.562 757 S HA 0.532 5.002 4.470 -0.000 0.000 0.274 757 S C -0.971 173.641 174.600 0.019 0.000 1.160 757 S CA -0.342 57.961 58.200 0.172 0.000 0.933 757 S CB 1.102 64.359 63.200 0.095 0.000 1.100 757 S HN 1.631 nan 8.310 nan 0.000 0.468 758 Y N 5.627 125.825 120.300 -0.169 0.000 2.480 758 Y HA 0.360 4.910 4.550 -0.000 0.000 0.341 758 Y C 0.799 176.561 175.900 -0.231 0.000 1.031 758 Y CA 0.552 58.392 58.100 -0.433 0.000 1.295 758 Y CB 0.462 38.751 38.460 -0.284 0.000 1.162 758 Y HN 0.494 nan 8.280 nan 0.000 0.523 759 V N 4.522 124.141 119.914 -0.492 0.000 2.502 759 V HA 0.136 4.256 4.120 -0.000 0.000 0.234 759 V C 0.035 175.974 176.094 -0.259 0.000 1.072 759 V CA 0.532 62.681 62.300 -0.252 0.000 1.094 759 V CB -0.267 31.440 31.823 -0.194 0.000 0.761 759 V HN 0.742 nan 8.190 nan 0.000 0.489 760 N N -1.401 117.054 118.700 -0.408 0.000 2.961 760 N HA 0.252 4.992 4.740 -0.000 0.000 0.245 760 N C -2.129 173.264 175.510 -0.194 0.000 1.404 760 N CA -0.570 52.355 53.050 -0.208 0.000 0.880 760 N CB 1.849 40.303 38.487 -0.055 0.000 1.461 760 N HN 0.102 nan 8.380 nan 0.000 0.510 761 D N 1.228 121.619 120.400 -0.015 0.000 2.225 761 D HA 0.330 4.970 4.640 -0.000 0.000 0.248 761 D C -0.607 175.816 176.300 0.205 0.000 1.096 761 D CA 0.154 54.207 54.000 0.088 0.000 0.863 761 D CB 0.817 41.674 40.800 0.094 0.000 1.156 761 D HN 0.404 nan 8.370 nan 0.000 0.450 762 F N 0.214 120.173 119.950 0.016 0.000 2.661 762 F HA 0.712 5.239 4.527 -0.000 0.000 0.347 762 F C -1.209 174.619 175.800 0.047 0.000 1.086 762 F CA -1.156 56.886 58.000 0.069 0.000 1.016 762 F CB 0.852 39.951 39.000 0.164 0.000 1.368 762 F HN 0.048 nan 8.300 nan 0.000 0.505 763 I N 1.261 121.555 120.570 -0.459 0.000 2.474 763 I HA 0.341 4.510 4.170 -0.000 0.000 0.294 763 I C -1.485 174.227 176.117 -0.676 0.000 1.005 763 I CA -0.100 60.884 61.300 -0.526 0.000 1.113 763 I CB 1.781 39.680 38.000 -0.167 0.000 1.289 763 I HN 0.670 nan 8.210 nan 0.000 0.436 764 D N 5.325 125.391 120.400 -0.557 0.000 2.402 764 D HA 0.392 5.032 4.640 -0.000 0.000 0.252 764 D C 0.039 176.279 176.300 -0.099 0.000 1.294 764 D CA -0.412 53.432 54.000 -0.260 0.000 0.948 764 D CB 0.593 41.257 40.800 -0.227 0.000 1.202 764 D HN 0.461 nan 8.370 nan 0.000 0.561 765 R N 3.027 123.508 120.500 -0.032 0.000 3.651 765 R HA -0.223 4.117 4.340 -0.000 0.000 0.292 765 R C 0.955 177.244 176.300 -0.019 0.000 1.161 765 R CA 1.136 57.237 56.100 0.002 0.000 0.787 765 R CB -1.474 28.852 30.300 0.044 0.000 1.249 765 R HN 0.966 nan 8.270 nan 0.000 0.476 766 G N -0.617 108.155 108.800 -0.048 0.000 2.397 766 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.211 766 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.211 766 G C 0.117 174.973 174.900 -0.072 0.000 1.077 766 G CA 0.192 45.262 45.100 -0.049 0.000 0.649 766 G HN 0.344 nan 8.290 nan 0.000 0.511 767 R N 0.888 121.338 120.500 -0.083 0.000 2.254 767 R HA 0.523 4.863 4.340 -0.000 0.000 0.318 767 R C 0.215 176.428 176.300 -0.145 0.000 1.031 767 R CA -0.134 55.913 56.100 -0.089 0.000 0.905 767 R CB 1.545 31.806 30.300 -0.065 0.000 1.050 767 R HN 0.350 nan 8.270 nan 0.000 0.456 768 V N 5.870 125.711 119.914 -0.121 0.000 2.479 768 V HA 0.113 4.233 4.120 -0.000 0.000 0.281 768 V C -0.391 175.637 176.094 -0.110 0.000 1.031 768 V CA 0.598 62.810 62.300 -0.146 0.000 1.038 768 V CB 0.229 32.010 31.823 -0.070 0.000 0.981 768 V HN 0.750 nan 8.190 nan 0.000 0.478 769 K N 5.236 125.530 120.400 -0.177 0.000 2.246 769 K HA 0.633 4.953 4.320 -0.000 0.000 0.239 769 K C -0.956 175.741 176.600 0.161 0.000 1.089 769 K CA -1.154 55.136 56.287 0.005 0.000 0.892 769 K CB 1.651 34.175 32.500 0.041 0.000 1.334 769 K HN 0.525 nan 8.250 nan 0.000 0.507 770 K N 0.599 121.153 120.400 0.256 0.000 2.139 770 K HA 0.518 4.838 4.320 -0.000 0.000 0.243 770 K C -0.852 175.811 176.600 0.106 0.000 0.983 770 K CA -0.871 55.506 56.287 0.150 0.000 0.890 770 K CB 1.655 34.281 32.500 0.211 0.000 1.090 770 K HN 0.134 nan 8.250 nan 0.000 0.445 771 V N 2.131 121.901 119.914 -0.240 0.000 2.487 771 V HA 0.335 4.455 4.120 -0.000 0.000 0.298 771 V C -1.407 174.420 176.094 -0.446 0.000 1.028 771 V CA -0.852 61.241 62.300 -0.345 0.000 0.860 771 V CB 0.767 32.386 31.823 -0.341 0.000 0.991 771 V HN 0.594 nan 8.190 nan 0.000 0.427 772 Y N 2.620 122.754 120.300 -0.276 0.000 2.446 772 Y HA 0.722 5.272 4.550 -0.000 0.000 0.345 772 Y C -0.125 175.629 175.900 -0.243 0.000 0.984 772 Y CA -0.795 57.186 58.100 -0.198 0.000 1.058 772 Y CB 2.431 40.819 38.460 -0.120 0.000 1.220 772 Y HN 0.368 nan 8.280 nan 0.000 0.455 773 V N 5.027 124.934 119.914 -0.012 0.000 2.487 773 V HA 0.417 4.537 4.120 -0.000 0.000 0.298 773 V C -0.295 175.812 176.094 0.023 0.000 1.028 773 V CA -0.276 61.991 62.300 -0.055 0.000 0.860 773 V CB 1.584 33.383 31.823 -0.041 0.000 0.991 773 V HN 1.040 nan 8.190 nan 0.000 0.427 774 M N 3.333 122.945 119.600 0.020 0.000 2.485 774 M HA 0.570 5.050 4.480 -0.000 0.000 0.193 774 M C -0.833 175.580 176.300 0.188 0.000 2.165 774 M CA 0.369 55.739 55.300 0.117 0.000 1.310 774 M CB 1.911 34.635 32.600 0.206 0.000 1.536 774 M HN 0.756 nan 8.290 nan 0.000 0.657 775 S N -0.248 115.677 115.700 0.375 0.000 2.714 775 S HA 0.246 4.716 4.470 -0.000 0.000 0.284 775 S C -1.590 173.259 174.600 0.415 0.000 1.019 775 S CA -1.091 57.350 58.200 0.402 0.000 0.856 775 S CB 0.630 64.049 63.200 0.365 0.000 1.075 775 S HN 0.508 nan 8.310 nan 0.000 0.455 776 E N 0.582 120.980 120.200 0.331 0.000 2.442 776 E HA 0.258 4.608 4.350 -0.000 0.000 0.262 776 E C 1.555 178.123 176.600 -0.053 0.000 1.004 776 E CA 0.405 56.854 56.400 0.082 0.000 0.928 776 E CB 0.645 30.460 29.700 0.191 0.000 0.937 776 E HN 0.777 nan 8.360 nan 0.000 0.446 777 A N 4.390 127.043 122.820 -0.277 0.000 1.940 777 A HA -0.246 4.073 4.320 -0.000 0.000 0.219 777 A C 1.892 179.326 177.584 -0.250 0.000 1.176 777 A CA 1.969 53.841 52.037 -0.274 0.000 0.631 777 A CB -0.380 18.418 19.000 -0.338 0.000 0.814 777 A HN 0.700 nan 8.150 nan 0.000 0.446 778 K N -1.632 118.566 120.400 -0.337 0.000 2.365 778 K HA -0.092 4.228 4.320 -0.000 0.000 0.199 778 K C 0.715 177.028 176.600 -0.479 0.000 1.045 778 K CA 1.286 57.312 56.287 -0.435 0.000 0.962 778 K CB -0.404 31.762 32.500 -0.557 0.000 0.759 778 K HN 0.544 nan 8.250 nan 0.000 0.469 779 Y N 1.985 122.165 120.300 -0.201 0.000 2.495 779 Y HA 0.188 4.738 4.550 -0.000 0.000 0.293 779 Y C 0.117 175.816 175.900 -0.335 0.000 1.186 779 Y CA -0.561 57.394 58.100 -0.243 0.000 1.266 779 Y CB 0.309 38.587 38.460 -0.304 0.000 1.101 779 Y HN 0.153 nan 8.280 nan 0.000 0.517 780 R N -2.151 118.167 120.500 -0.303 0.000 2.499 780 R HA 0.270 4.610 4.340 -0.000 0.000 0.252 780 R C -0.393 175.786 176.300 -0.202 0.000 1.309 780 R CA -0.022 55.658 56.100 -0.701 0.000 1.425 780 R CB -0.519 29.119 30.300 -1.104 0.000 1.392 780 R HN 0.051 nan 8.270 nan 0.000 0.766 781 M N 0.195 119.765 119.600 -0.050 0.000 2.906 781 M HA 0.342 4.822 4.480 -0.000 0.000 0.252 781 M C 0.540 176.886 176.300 0.077 0.000 1.359 781 M CA 0.688 55.995 55.300 0.013 0.000 1.239 781 M CB -0.164 32.406 32.600 -0.051 0.000 1.229 781 M HN 0.251 nan 8.290 nan 0.000 0.547 782 L N -0.301 120.963 121.223 0.068 0.000 2.331 782 L HA 0.332 4.672 4.340 -0.000 0.000 0.268 782 L C -1.493 175.373 176.870 -0.006 0.000 1.015 782 L CA -1.887 52.969 54.840 0.025 0.000 0.807 782 L CB -0.019 42.048 42.059 0.012 0.000 1.293 782 L HN -0.080 nan 8.230 nan 0.000 0.451 783 P HA -0.056 nan 4.420 nan 0.000 0.223 783 P C 0.258 177.522 177.300 -0.061 0.000 1.151 783 P CA 0.858 63.728 63.100 -0.384 0.000 0.787 783 P CB 0.157 31.547 31.700 -0.517 0.000 0.788 784 D N -0.912 119.500 120.400 0.020 0.000 2.348 784 D HA -0.086 4.554 4.640 -0.000 0.000 0.216 784 D C 1.001 177.356 176.300 0.091 0.000 0.970 784 D CA 0.789 54.824 54.000 0.058 0.000 0.889 784 D CB -0.473 40.353 40.800 0.043 0.000 0.912 784 D HN 0.172 nan 8.370 nan 0.000 0.524 785 D N 0.106 120.599 120.400 0.154 0.000 2.336 785 D HA -0.001 4.639 4.640 -0.000 0.000 0.229 785 D C 1.757 178.288 176.300 0.384 0.000 1.061 785 D CA 0.039 54.162 54.000 0.205 0.000 0.875 785 D CB 0.429 41.336 40.800 0.178 0.000 0.904 785 D HN 0.236 nan 8.370 nan 0.000 0.525 786 I N 0.791 121.564 120.570 0.339 0.000 2.286 786 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 786 I C 2.466 178.699 176.117 0.193 0.000 1.104 786 I CA 1.016 62.492 61.300 0.294 0.000 1.397 786 I CB -1.148 36.915 38.000 0.106 0.000 1.072 786 I HN 0.000 nan 8.210 nan 0.000 0.417 787 G N 0.350 109.213 108.800 0.104 0.000 2.598 787 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 787 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 787 G C 1.164 175.942 174.900 -0.203 0.000 1.131 787 G CA 0.237 45.335 45.100 -0.003 0.000 0.785 787 G HN 0.317 nan 8.290 nan 0.000 0.539 788 D N -0.076 120.215 120.400 -0.182 0.000 2.264 788 D HA -0.033 4.607 4.640 -0.000 0.000 0.208 788 D C 0.275 176.205 176.300 -0.617 0.000 0.966 788 D CA 0.289 54.058 54.000 -0.385 0.000 0.864 788 D CB 0.008 40.614 40.800 -0.323 0.000 0.933 788 D HN 0.423 nan 8.370 nan 0.000 0.499 789 W N 0.624 121.744 121.300 -0.299 0.000 2.311 789 W HA 0.241 4.901 4.660 -0.000 0.000 0.310 789 W C -0.351 176.086 176.519 -0.137 0.000 1.274 789 W CA -0.623 56.627 57.345 -0.159 0.000 1.215 789 W CB 0.186 29.573 29.460 -0.122 0.000 1.227 789 W HN -0.163 nan 8.180 nan 0.000 0.523 790 Y N 2.782 123.310 120.300 0.381 0.000 2.334 790 Y HA 0.427 4.977 4.550 0.000 0.000 0.336 790 Y C 0.262 176.361 175.900 0.332 0.000 0.960 790 Y CA -1.209 57.076 58.100 0.308 0.000 1.164 790 Y CB 0.625 39.180 38.460 0.157 0.000 1.155 790 Y HN 0.011 nan 8.280 nan 0.000 0.478 791 V N 3.984 124.187 119.914 0.481 0.000 2.607 791 V HA 0.347 4.467 4.120 -0.000 0.000 0.289 791 V C 0.209 176.458 176.094 0.258 0.000 1.053 791 V CA -0.992 61.521 62.300 0.356 0.000 0.996 791 V CB 1.302 33.310 31.823 0.309 0.000 0.995 791 V HN 0.684 nan 8.190 nan 0.000 0.476 792 R N 2.759 123.371 120.500 0.187 0.000 2.357 792 R HA 0.643 4.983 4.340 -0.000 0.000 0.296 792 R C -0.087 176.270 176.300 0.094 0.000 1.052 792 R CA 0.150 56.330 56.100 0.132 0.000 0.988 792 R CB 0.970 31.336 30.300 0.109 0.000 1.025 792 R HN 0.920 nan 8.270 nan 0.000 0.469 793 A N 2.856 125.723 122.820 0.079 0.000 2.261 793 A HA 0.610 4.930 4.320 -0.000 0.000 0.323 793 A C 0.698 178.304 177.584 0.037 0.000 1.107 793 A CA -0.133 51.935 52.037 0.051 0.000 0.883 793 A CB 0.954 19.987 19.000 0.055 0.000 1.251 793 A HN 0.931 nan 8.150 nan 0.000 0.502 794 A N -0.315 122.519 122.820 0.024 0.000 2.066 794 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 794 A C 1.008 178.604 177.584 0.019 0.000 1.157 794 A CA 1.773 53.821 52.037 0.018 0.000 0.670 794 A CB -0.625 18.380 19.000 0.010 0.000 0.804 794 A HN 0.820 nan 8.150 nan 0.000 0.453 795 D N -1.510 118.903 120.400 0.022 0.000 2.352 795 D HA 0.314 4.954 4.640 -0.000 0.000 0.236 795 D C 0.978 177.292 176.300 0.023 0.000 1.148 795 D CA 0.361 54.373 54.000 0.020 0.000 0.844 795 D CB -0.951 39.861 40.800 0.020 0.000 0.933 795 D HN 0.555 nan 8.370 nan 0.000 0.507 796 G N 0.755 109.571 108.800 0.027 0.000 2.273 796 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.280 796 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.280 796 G C -0.165 174.751 174.900 0.026 0.000 1.047 796 G CA 0.615 45.732 45.100 0.027 0.000 0.869 796 G HN 0.788 nan 8.290 nan 0.000 0.502 797 Q N -2.003 117.817 119.800 0.034 0.000 2.416 797 Q HA 0.828 5.167 4.340 -0.000 0.000 0.281 797 Q C -0.309 175.723 176.000 0.053 0.000 1.067 797 Q CA -1.402 54.419 55.803 0.030 0.000 0.809 797 Q CB 1.121 29.873 28.738 0.023 0.000 1.418 797 Q HN 0.091 nan 8.270 nan 0.000 0.411 798 M N 1.260 120.883 119.600 0.040 0.000 2.228 798 M HA 0.469 4.949 4.480 -0.000 0.000 0.326 798 M C -1.106 175.285 176.300 0.152 0.000 1.122 798 M CA -0.148 55.206 55.300 0.090 0.000 1.161 798 M CB 1.784 34.374 32.600 -0.016 0.000 1.437 798 M HN 0.561 nan 8.290 nan 0.000 0.465 799 V N 3.695 123.772 119.914 0.272 0.000 2.612 799 V HA 0.474 4.594 4.120 -0.000 0.000 0.301 799 V C -2.381 173.917 176.094 0.341 0.000 1.059 799 V CA -1.454 61.012 62.300 0.276 0.000 0.886 799 V CB 1.752 33.731 31.823 0.261 0.000 1.007 799 V HN 0.723 nan 8.190 nan 0.000 0.426 800 P HA 0.254 nan 4.420 nan 0.000 0.274 800 P C 0.595 177.765 177.300 -0.218 0.000 1.237 800 P CA -0.163 62.963 63.100 0.045 0.000 0.793 800 P CB 1.170 32.899 31.700 0.048 0.000 0.977 801 F N 0.792 120.529 119.950 -0.355 0.000 2.325 801 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 801 F C 2.584 177.988 175.800 -0.660 0.000 1.090 801 F CA 1.941 59.612 58.000 -0.548 0.000 1.392 801 F CB -0.222 38.709 39.000 -0.115 0.000 1.053 801 F HN 0.294 nan 8.300 nan 0.000 0.521 802 S N -0.168 115.404 115.700 -0.215 0.000 2.474 802 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 802 S C 2.136 176.593 174.600 -0.239 0.000 0.997 802 S CA 0.622 58.724 58.200 -0.164 0.000 0.949 802 S CB -0.666 62.498 63.200 -0.059 0.000 0.766 802 S HN 0.279 nan 8.310 nan 0.000 0.517 803 A N 2.104 124.706 122.820 -0.364 0.000 1.858 803 A HA 0.104 4.424 4.320 -0.000 0.000 0.216 803 A C 1.983 179.460 177.584 -0.179 0.000 1.190 803 A CA 1.532 53.429 52.037 -0.232 0.000 0.617 803 A CB -0.943 17.963 19.000 -0.156 0.000 0.827 803 A HN 0.828 nan 8.150 nan 0.000 0.443 804 F N 0.035 119.947 119.950 -0.062 0.000 2.582 804 F HA 0.263 4.790 4.527 -0.000 0.000 0.290 804 F C 1.386 177.135 175.800 -0.084 0.000 1.115 804 F CA 0.071 58.020 58.000 -0.085 0.000 1.445 804 F CB -0.732 38.189 39.000 -0.131 0.000 1.126 804 F HN 0.154 nan 8.300 nan 0.000 0.574 805 S N 0.746 116.413 115.700 -0.056 0.000 2.634 805 S HA 0.506 4.975 4.470 -0.000 0.000 0.261 805 S C 0.034 174.630 174.600 -0.007 0.000 1.271 805 S CA -0.038 58.189 58.200 0.046 0.000 0.985 805 S CB 1.361 64.600 63.200 0.065 0.000 0.968 805 S HN 0.418 nan 8.310 nan 0.000 0.568 806 S N 0.296 115.984 115.700 -0.021 0.000 2.614 806 S HA 0.494 4.964 4.470 -0.000 0.000 0.275 806 S C -0.768 173.758 174.600 -0.124 0.000 1.161 806 S CA -0.455 57.714 58.200 -0.052 0.000 0.969 806 S CB 1.067 64.239 63.200 -0.047 0.000 1.059 806 S HN 1.387 nan 8.310 nan 0.000 0.482 807 S N 4.748 120.382 115.700 -0.110 0.000 2.457 807 S HA 0.818 5.288 4.470 -0.000 0.000 0.289 807 S C -0.361 174.093 174.600 -0.244 0.000 1.163 807 S CA -0.686 57.382 58.200 -0.220 0.000 1.078 807 S CB 0.180 63.405 63.200 0.043 0.000 0.987 807 S HN 1.034 nan 8.310 nan 0.000 0.482 808 R N 2.318 122.512 120.500 -0.510 0.000 2.579 808 R HA 0.371 4.711 4.340 -0.000 0.000 0.260 808 R C -1.797 174.257 176.300 -0.411 0.000 1.103 808 R CA -0.940 54.993 56.100 -0.278 0.000 0.942 808 R CB 0.051 30.266 30.300 -0.142 0.000 1.251 808 R HN 0.574 nan 8.270 nan 0.000 0.450 809 W N 1.548 122.753 121.300 -0.159 0.000 2.141 809 W HA 0.466 5.126 4.660 -0.000 0.000 0.354 809 W C 0.748 177.182 176.519 -0.142 0.000 1.297 809 W CA 0.200 57.474 57.345 -0.117 0.000 1.380 809 W CB 0.763 30.195 29.460 -0.046 0.000 1.168 809 W HN 0.638 nan 8.180 nan 0.000 0.639 810 E N -0.917 119.355 120.200 0.121 0.000 2.391 810 E HA 0.354 4.704 4.350 -0.000 0.000 0.256 810 E C -2.009 174.556 176.600 -0.058 0.000 0.975 810 E CA -1.004 55.415 56.400 0.031 0.000 0.881 810 E CB 1.727 31.428 29.700 0.001 0.000 1.728 810 E HN 0.284 nan 8.360 nan 0.000 0.446 811 Y N -0.338 119.995 120.300 0.055 0.000 2.333 811 Y HA 0.536 5.086 4.550 -0.000 0.000 0.324 811 Y C 0.133 176.020 175.900 -0.022 0.000 1.033 811 Y CA -0.297 57.820 58.100 0.029 0.000 1.224 811 Y CB 1.802 40.264 38.460 0.004 0.000 1.120 811 Y HN 0.592 nan 8.280 nan 0.000 0.457 812 G N 0.418 109.316 108.800 0.164 0.000 3.175 812 G HA2 0.567 4.527 3.960 -0.000 0.000 0.255 812 G HA3 0.567 4.527 3.960 -0.000 0.000 0.255 812 G C -1.219 173.733 174.900 0.086 0.000 1.352 812 G CA -0.922 44.218 45.100 0.067 0.000 1.037 812 G HN 0.384 nan 8.290 nan 0.000 0.556 813 S N -0.315 115.449 115.700 0.107 0.000 2.521 813 S HA 0.620 5.090 4.470 -0.000 0.000 0.295 813 S C -1.990 172.698 174.600 0.147 0.000 1.098 813 S CA -1.464 56.838 58.200 0.170 0.000 0.999 813 S CB 2.319 65.734 63.200 0.358 0.000 1.034 813 S HN 0.321 nan 8.310 nan 0.000 0.483 814 P HA 0.166 nan 4.420 nan 0.000 0.249 814 P C -0.169 177.188 177.300 0.095 0.000 1.229 814 P CA 0.161 63.322 63.100 0.102 0.000 0.788 814 P CB -0.066 31.692 31.700 0.096 0.000 1.072 815 R N 0.626 121.187 120.500 0.102 0.000 2.921 815 R HA 0.336 4.676 4.340 -0.000 0.000 0.269 815 R C -1.190 175.150 176.300 0.067 0.000 1.696 815 R CA -0.322 55.827 56.100 0.081 0.000 1.161 815 R CB -0.092 30.253 30.300 0.074 0.000 1.337 815 R HN -0.092 nan 8.270 nan 0.000 0.496 816 L N 3.876 125.132 121.223 0.055 0.000 2.295 816 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 816 L C -0.030 176.841 176.870 0.002 0.000 1.079 816 L CA -0.373 54.472 54.840 0.008 0.000 0.830 816 L CB 1.130 43.202 42.059 0.023 0.000 1.200 816 L HN 0.510 nan 8.230 nan 0.000 0.438 817 E N 3.950 124.139 120.200 -0.018 0.000 2.277 817 E HA 0.525 4.875 4.350 -0.000 0.000 0.274 817 E C -0.648 175.952 176.600 -0.001 0.000 1.022 817 E CA -0.661 55.741 56.400 0.004 0.000 0.853 817 E CB 1.251 30.954 29.700 0.005 0.000 1.086 817 E HN 0.372 nan 8.360 nan 0.000 0.397 818 R N 2.155 122.675 120.500 0.033 0.000 2.574 818 R HA 0.300 4.640 4.340 -0.000 0.000 0.288 818 R C -1.485 174.877 176.300 0.105 0.000 1.004 818 R CA -0.919 55.206 56.100 0.042 0.000 0.895 818 R CB 1.515 31.825 30.300 0.018 0.000 1.191 818 R HN 0.581 nan 8.270 nan 0.000 0.444 819 Y N 3.441 123.719 120.300 -0.037 0.000 2.345 819 Y HA 0.208 4.758 4.550 -0.000 0.000 0.331 819 Y C -0.099 175.787 175.900 -0.023 0.000 0.959 819 Y CA -0.662 57.421 58.100 -0.029 0.000 1.204 819 Y CB 0.780 39.200 38.460 -0.066 0.000 1.135 819 Y HN 0.719 nan 8.280 nan 0.000 0.477 820 N N 4.713 123.156 118.700 -0.428 0.000 2.746 820 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 820 N C 0.805 176.212 175.510 -0.171 0.000 1.055 820 N CA 1.361 54.178 53.050 -0.387 0.000 0.699 820 N CB -1.097 37.045 38.487 -0.575 0.000 0.919 820 N HN 1.347 nan 8.380 nan 0.000 0.548 821 G N -1.416 107.319 108.800 -0.109 0.000 2.184 821 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 821 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 821 G C 0.053 174.931 174.900 -0.036 0.000 0.975 821 G CA 0.878 45.941 45.100 -0.062 0.000 0.642 821 G HN 0.470 nan 8.290 nan 0.000 0.536 822 L N 0.572 121.778 121.223 -0.028 0.000 2.333 822 L HA 0.629 4.969 4.340 -0.000 0.000 0.263 822 L C -2.164 174.708 176.870 0.003 0.000 1.014 822 L CA -2.817 52.018 54.840 -0.008 0.000 0.820 822 L CB 2.114 44.173 42.059 -0.001 0.000 1.352 822 L HN -0.169 nan 8.230 nan 0.000 0.421 823 P HA 0.160 nan 4.420 nan 0.000 0.271 823 P C -0.724 176.561 177.300 -0.024 0.000 1.218 823 P CA -0.022 63.063 63.100 -0.026 0.000 0.780 823 P CB 1.680 33.353 31.700 -0.045 0.000 0.901 824 S N 0.978 116.653 115.700 -0.041 0.000 2.611 824 S HA 0.717 5.187 4.470 -0.000 0.000 0.268 824 S C -1.568 172.987 174.600 -0.074 0.000 1.156 824 S CA -0.648 57.523 58.200 -0.049 0.000 0.817 824 S CB 0.783 63.979 63.200 -0.007 0.000 1.122 824 S HN 0.362 nan 8.310 nan 0.000 0.466 825 M N 2.356 121.904 119.600 -0.086 0.000 2.183 825 M HA 0.328 4.808 4.480 -0.000 0.000 0.277 825 M C -0.934 175.317 176.300 -0.081 0.000 0.995 825 M CA -0.372 54.886 55.300 -0.070 0.000 0.969 825 M CB 2.018 34.588 32.600 -0.050 0.000 1.659 825 M HN 0.697 nan 8.290 nan 0.000 0.462 826 E N 3.878 124.037 120.200 -0.067 0.000 2.344 826 E HA 0.235 4.585 4.350 -0.000 0.000 0.270 826 E C -1.065 175.516 176.600 -0.032 0.000 1.021 826 E CA -0.152 56.203 56.400 -0.074 0.000 0.887 826 E CB 0.784 30.451 29.700 -0.056 0.000 0.997 826 E HN 0.461 nan 8.360 nan 0.000 0.429 827 I N 6.531 127.100 120.570 -0.002 0.000 2.390 827 I HA 0.169 4.339 4.170 -0.000 0.000 0.283 827 I C -0.348 175.792 176.117 0.039 0.000 1.016 827 I CA -0.534 60.799 61.300 0.055 0.000 1.151 827 I CB 0.694 38.793 38.000 0.166 0.000 1.293 827 I HN 0.575 nan 8.210 nan 0.000 0.458 828 L N 6.144 127.340 121.223 -0.044 0.000 2.328 828 L HA 0.481 4.821 4.340 -0.000 0.000 0.280 828 L C 0.723 177.451 176.870 -0.236 0.000 1.111 828 L CA -0.145 54.611 54.840 -0.140 0.000 0.909 828 L CB 0.668 42.647 42.059 -0.134 0.000 1.277 828 L HN 0.692 nan 8.230 nan 0.000 0.433 829 G N 2.527 111.043 108.800 -0.474 0.000 2.498 829 G HA2 0.676 4.636 3.960 -0.000 0.000 0.312 829 G HA3 0.676 4.636 3.960 -0.000 0.000 0.312 829 G C -1.090 172.981 174.900 -1.380 0.000 1.230 829 G CA -0.346 44.356 45.100 -0.664 0.000 0.968 829 G HN 0.465 nan 8.290 nan 0.000 0.481 830 Q N -0.668 118.725 119.800 -0.679 0.000 2.445 830 Q HA 0.674 5.013 4.340 -0.000 0.000 0.281 830 Q C 0.085 176.099 176.000 0.024 0.000 1.101 830 Q CA -0.891 54.662 55.803 -0.416 0.000 0.833 830 Q CB 2.371 30.983 28.738 -0.211 0.000 1.416 830 Q HN 0.771 nan 8.270 nan 0.000 0.451 831 A N 0.567 123.465 122.820 0.130 0.000 2.327 831 A HA 0.638 4.958 4.320 -0.000 0.000 0.255 831 A C -0.160 177.467 177.584 0.072 0.000 1.099 831 A CA 0.141 52.275 52.037 0.162 0.000 0.801 831 A CB -0.006 19.066 19.000 0.121 0.000 1.062 831 A HN 0.736 nan 8.150 nan 0.000 0.496 832 A N 0.401 123.255 122.820 0.057 0.000 2.296 832 A HA 0.559 4.879 4.320 -0.000 0.000 0.264 832 A C -1.437 176.156 177.584 0.016 0.000 1.097 832 A CA -0.892 51.162 52.037 0.029 0.000 0.811 832 A CB -0.563 18.451 19.000 0.023 0.000 1.072 832 A HN 0.566 nan 8.150 nan 0.000 0.495 833 P HA -0.005 nan 4.420 nan 0.000 0.221 833 P C 1.363 178.663 177.300 0.001 0.000 1.150 833 P CA 1.647 64.748 63.100 0.002 0.000 0.800 833 P CB 0.145 31.844 31.700 -0.001 0.000 0.787 834 G N -0.347 108.455 108.800 0.004 0.000 2.471 834 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.211 834 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.211 834 G C 0.673 175.576 174.900 0.005 0.000 1.194 834 G CA 0.109 45.211 45.100 0.003 0.000 0.816 834 G HN 0.193 nan 8.290 nan 0.000 0.545 835 K N -0.025 120.380 120.400 0.010 0.000 2.156 835 K HA 0.420 4.740 4.320 -0.000 0.000 0.242 835 K C -0.602 176.007 176.600 0.015 0.000 1.033 835 K CA 0.272 56.566 56.287 0.011 0.000 0.878 835 K CB 0.864 33.371 32.500 0.011 0.000 1.057 835 K HN 0.161 nan 8.250 nan 0.000 0.505 836 S N 0.282 115.991 115.700 0.015 0.000 2.446 836 S HA 0.180 4.650 4.470 -0.000 0.000 0.230 836 S C -0.218 174.392 174.600 0.016 0.000 1.051 836 S CA 0.033 58.245 58.200 0.020 0.000 1.113 836 S CB 0.126 63.335 63.200 0.015 0.000 1.184 836 S HN 0.798 nan 8.310 nan 0.000 0.435 837 T N 3.286 117.853 114.554 0.022 0.000 13.450 837 T HA -0.291 4.058 4.350 -0.000 0.000 0.419 837 T C 1.632 176.287 174.700 -0.076 0.000 1.441 837 T CA 2.072 64.165 62.100 -0.010 0.000 2.355 837 T CB -1.819 67.051 68.868 0.003 0.000 2.797 837 T HN 1.148 nan 8.240 nan 0.000 0.561 838 G N 1.155 109.929 108.800 -0.043 0.000 2.442 838 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 838 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 838 G C 1.246 176.106 174.900 -0.067 0.000 1.141 838 G CA 1.630 46.697 45.100 -0.054 0.000 0.763 838 G HN 0.773 nan 8.290 nan 0.000 0.554 839 E N 0.249 120.423 120.200 -0.044 0.000 2.076 839 E HA 0.073 4.423 4.350 -0.000 0.000 0.190 839 E C 2.921 179.481 176.600 -0.067 0.000 0.979 839 E CA 0.591 56.966 56.400 -0.040 0.000 0.807 839 E CB -0.096 29.594 29.700 -0.017 0.000 0.761 839 E HN 0.407 nan 8.360 nan 0.000 0.454 840 A N 0.792 123.567 122.820 -0.075 0.000 1.968 840 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 840 A C 2.078 179.512 177.584 -0.250 0.000 1.169 840 A CA 1.067 53.038 52.037 -0.109 0.000 0.638 840 A CB -0.303 18.690 19.000 -0.012 0.000 0.812 840 A HN 0.120 nan 8.150 nan 0.000 0.446 841 M N -0.504 118.926 119.600 -0.283 0.000 2.236 841 M HA -0.106 4.374 4.480 -0.000 0.000 0.266 841 M C 1.994 178.222 176.300 -0.120 0.000 1.070 841 M CA 1.726 56.827 55.300 -0.330 0.000 1.137 841 M CB -0.253 31.939 32.600 -0.679 0.000 1.378 841 M HN 0.665 nan 8.290 nan 0.000 0.426 842 E N 0.463 120.594 120.200 -0.115 0.000 2.358 842 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 842 E C 1.422 177.982 176.600 -0.067 0.000 1.010 842 E CA 0.961 57.332 56.400 -0.049 0.000 0.856 842 E CB -0.300 29.380 29.700 -0.034 0.000 0.795 842 E HN 0.398 nan 8.360 nan 0.000 0.504 843 L N 0.038 121.202 121.223 -0.099 0.000 2.592 843 L HA 0.259 4.599 4.340 -0.000 0.000 0.227 843 L C 1.721 178.497 176.870 -0.157 0.000 1.127 843 L CA 0.324 55.108 54.840 -0.093 0.000 0.884 843 L CB 0.145 42.167 42.059 -0.061 0.000 1.065 843 L HN 0.258 nan 8.230 nan 0.000 0.457 844 M N -1.895 117.551 119.600 -0.257 0.000 2.367 844 M HA 0.066 4.546 4.480 -0.000 0.000 0.256 844 M C 1.468 177.454 176.300 -0.524 0.000 1.091 844 M CA 0.558 55.590 55.300 -0.447 0.000 1.049 844 M CB 0.351 32.527 32.600 -0.705 0.000 1.406 844 M HN 0.207 nan 8.290 nan 0.000 0.498 845 E N 0.871 120.880 120.200 -0.319 0.000 2.112 845 E HA -0.195 4.155 4.350 -0.000 0.000 0.190 845 E C 1.699 178.168 176.600 -0.218 0.000 0.979 845 E CA 1.083 57.288 56.400 -0.326 0.000 0.814 845 E CB 0.158 29.841 29.700 -0.028 0.000 0.762 845 E HN 0.504 nan 8.360 nan 0.000 0.460 846 Q N 0.295 120.023 119.800 -0.119 0.000 2.435 846 Q HA -0.019 4.321 4.340 -0.000 0.000 0.207 846 Q C 1.715 177.676 176.000 -0.066 0.000 0.956 846 Q CA 0.797 56.566 55.803 -0.057 0.000 0.917 846 Q CB -0.307 28.414 28.738 -0.029 0.000 0.997 846 Q HN 0.265 nan 8.270 nan 0.000 0.497 847 L N -0.168 120.983 121.223 -0.119 0.000 2.179 847 L HA 0.140 4.480 4.340 -0.000 0.000 0.208 847 L C 2.293 179.099 176.870 -0.106 0.000 1.096 847 L CA 0.851 55.633 54.840 -0.096 0.000 0.779 847 L CB -0.650 41.329 42.059 -0.134 0.000 0.922 847 L HN 0.367 nan 8.230 nan 0.000 0.443 848 A N 0.497 123.205 122.820 -0.187 0.000 1.969 848 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 848 A C 2.510 180.112 177.584 0.029 0.000 1.169 848 A CA 1.709 53.682 52.037 -0.106 0.000 0.635 848 A CB -0.451 18.371 19.000 -0.297 0.000 0.810 848 A HN 0.500 nan 8.150 nan 0.000 0.445 849 S N -0.354 115.365 115.700 0.031 0.000 2.436 849 S HA -0.038 4.432 4.470 -0.000 0.000 0.228 849 S C 1.622 176.250 174.600 0.047 0.000 1.014 849 S CA 1.140 59.390 58.200 0.083 0.000 0.950 849 S CB -0.249 63.003 63.200 0.086 0.000 0.784 849 S HN 0.570 nan 8.310 nan 0.000 0.504 850 K N 0.523 120.935 120.400 0.021 0.000 2.486 850 K HA 0.269 4.589 4.320 -0.000 0.000 0.194 850 K C 0.296 176.908 176.600 0.020 0.000 1.033 850 K CA -0.033 56.264 56.287 0.017 0.000 1.004 850 K CB -0.247 32.258 32.500 0.009 0.000 0.798 850 K HN 0.415 nan 8.250 nan 0.000 0.495 851 L N 1.638 122.876 121.223 0.026 0.000 2.472 851 L HA 0.087 4.427 4.340 -0.000 0.000 0.260 851 L C -1.801 175.087 176.870 0.030 0.000 1.209 851 L CA -1.874 52.982 54.840 0.027 0.000 0.817 851 L CB -0.254 41.826 42.059 0.035 0.000 1.106 851 L HN -0.071 nan 8.230 nan 0.000 0.479 852 P HA 0.055 nan 4.420 nan 0.000 0.274 852 P C -0.641 176.675 177.300 0.026 0.000 1.264 852 P CA -0.373 62.741 63.100 0.023 0.000 0.795 852 P CB 0.190 31.902 31.700 0.019 0.000 1.064 853 T N -0.245 114.322 114.554 0.022 0.000 2.918 853 T HA 0.394 4.744 4.350 -0.000 0.000 0.302 853 T C 1.005 175.717 174.700 0.020 0.000 1.045 853 T CA 0.928 63.040 62.100 0.021 0.000 1.114 853 T CB -0.179 68.699 68.868 0.016 0.000 0.965 853 T HN 0.835 nan 8.240 nan 0.000 0.540 854 G N 0.953 109.764 108.800 0.019 0.000 2.225 854 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.264 854 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.264 854 G C -0.105 174.806 174.900 0.018 0.000 1.060 854 G CA -0.134 44.975 45.100 0.015 0.000 0.833 854 G HN 0.819 nan 8.290 nan 0.000 0.498 855 V N 0.086 120.017 119.914 0.028 0.000 2.501 855 V HA 0.712 4.832 4.120 -0.000 0.000 0.277 855 V C 0.874 177.006 176.094 0.063 0.000 1.004 855 V CA -0.054 62.269 62.300 0.038 0.000 0.862 855 V CB 1.025 32.873 31.823 0.043 0.000 1.035 855 V HN 0.790 nan 8.190 nan 0.000 0.448 856 G N 3.169 111.993 108.800 0.041 0.000 2.736 856 G HA2 0.808 4.768 3.960 -0.000 0.000 0.229 856 G HA3 0.808 4.768 3.960 -0.000 0.000 0.229 856 G C -0.991 173.964 174.900 0.093 0.000 1.380 856 G CA -0.435 44.688 45.100 0.039 0.000 1.040 856 G HN 0.859 nan 8.290 nan 0.000 0.568 857 Y N -2.863 117.363 120.300 -0.123 0.000 2.713 857 Y HA 0.735 5.285 4.550 -0.000 0.000 0.335 857 Y C -1.715 173.987 175.900 -0.330 0.000 1.222 857 Y CA -1.421 56.487 58.100 -0.319 0.000 1.061 857 Y CB 1.781 40.038 38.460 -0.337 0.000 1.314 857 Y HN 0.561 nan 8.280 nan 0.000 0.453 858 D N 0.555 120.702 120.400 -0.422 0.000 2.836 858 D HA 0.142 4.782 4.640 -0.000 0.000 0.215 858 D C -2.173 173.805 176.300 -0.536 0.000 1.255 858 D CA -0.353 53.442 54.000 -0.342 0.000 0.822 858 D CB 1.565 42.249 40.800 -0.193 0.000 1.656 858 D HN 0.709 nan 8.370 nan 0.000 0.511 859 W N 2.549 123.730 121.300 -0.199 0.000 2.507 859 W HA 0.287 4.947 4.660 -0.000 0.000 0.334 859 W C 0.208 176.538 176.519 -0.315 0.000 1.165 859 W CA -0.062 57.170 57.345 -0.188 0.000 1.460 859 W CB 0.845 30.280 29.460 -0.041 0.000 1.404 859 W HN -0.006 nan 8.180 nan 0.000 0.435 860 T N 2.226 116.611 114.554 -0.282 0.000 2.841 860 T HA 0.672 5.022 4.350 -0.000 0.000 0.283 860 T C 0.290 174.875 174.700 -0.190 0.000 1.000 860 T CA -0.775 61.081 62.100 -0.407 0.000 0.977 860 T CB 1.761 70.183 68.868 -0.743 0.000 0.979 860 T HN 0.488 nan 8.240 nan 0.000 0.446 861 G N 2.107 110.822 108.800 -0.141 0.000 5.114 861 G HA2 0.310 4.270 3.960 -0.000 0.000 0.209 861 G HA3 0.310 4.270 3.960 -0.000 0.000 0.209 861 G C 0.259 175.132 174.900 -0.044 0.000 1.021 861 G CA -0.336 44.604 45.100 -0.267 0.000 0.608 861 G HN 0.788 nan 8.290 nan 0.000 0.360 862 M N -0.554 119.062 119.600 0.027 0.000 2.292 862 M HA 0.432 4.912 4.480 -0.000 0.000 0.286 862 M C 0.267 176.633 176.300 0.110 0.000 1.002 862 M CA 0.200 55.558 55.300 0.097 0.000 1.029 862 M CB 1.059 33.764 32.600 0.175 0.000 1.537 862 M HN 0.166 nan 8.290 nan 0.000 0.543 863 S N 1.191 116.937 115.700 0.077 0.000 2.718 863 S HA 0.571 5.041 4.470 -0.000 0.000 0.294 863 S C -0.539 174.072 174.600 0.018 0.000 1.157 863 S CA -0.724 57.507 58.200 0.051 0.000 1.121 863 S CB -0.237 62.936 63.200 -0.046 0.000 1.015 863 S HN 0.687 nan 8.310 nan 0.000 0.479 864 Y N 0.751 121.050 120.300 -0.001 0.000 2.083 864 Y HA 0.557 5.107 4.550 -0.000 0.000 0.070 864 Y C 0.407 176.316 175.900 0.015 0.000 1.141 864 Y CA -0.976 57.119 58.100 -0.008 0.000 1.707 864 Y CB 0.026 38.453 38.460 -0.056 0.000 1.113 864 Y HN 0.491 nan 8.280 nan 0.000 0.185 865 Q N 0.041 119.833 119.800 -0.013 0.000 1.830 865 Q HA 0.118 4.458 4.340 -0.000 0.000 0.149 865 Q C -1.684 174.047 176.000 -0.448 0.000 0.679 865 Q CA 1.012 56.741 55.803 -0.122 0.000 0.791 865 Q CB 0.723 29.458 28.738 -0.005 0.000 1.115 865 Q HN 0.734 nan 8.270 nan 0.000 0.327 866 E N 0.041 119.935 120.200 -0.510 0.000 2.406 866 E HA 0.423 4.773 4.350 -0.000 0.000 0.297 866 E C -0.697 175.681 176.600 -0.370 0.000 0.917 866 E CA -0.628 55.458 56.400 -0.523 0.000 0.795 866 E CB 1.811 31.354 29.700 -0.260 0.000 1.285 866 E HN -0.031 nan 8.360 nan 0.000 0.400 867 R N 1.111 121.390 120.500 -0.369 0.000 2.900 867 R HA 0.442 4.782 4.340 -0.000 0.000 0.198 867 R C 1.351 177.617 176.300 -0.057 0.000 1.053 867 R CA 0.040 56.044 56.100 -0.161 0.000 1.132 867 R CB 0.014 30.291 30.300 -0.038 0.000 1.041 867 R HN 0.632 nan 8.270 nan 0.000 0.499 868 L N -2.429 118.804 121.223 0.017 0.000 2.691 868 L HA 0.272 4.612 4.340 -0.000 0.000 0.185 868 L C 2.125 179.122 176.870 0.212 0.000 1.081 868 L CA 0.021 54.958 54.840 0.162 0.000 0.865 868 L CB -0.783 41.362 42.059 0.143 0.000 1.370 868 L HN 0.363 nan 8.230 nan 0.000 0.488 869 S N 0.402 116.210 115.700 0.180 0.000 2.461 869 S HA 0.136 4.606 4.470 -0.000 0.000 0.228 869 S C 1.272 175.956 174.600 0.140 0.000 1.005 869 S CA 0.693 59.001 58.200 0.180 0.000 0.942 869 S CB -0.442 62.847 63.200 0.148 0.000 0.776 869 S HN 0.447 nan 8.310 nan 0.000 0.514 870 G N 1.596 110.454 108.800 0.095 0.000 2.679 870 G HA2 0.037 3.997 3.960 -0.000 0.000 0.202 870 G HA3 0.037 3.997 3.960 -0.000 0.000 0.202 870 G C 0.669 175.602 174.900 0.055 0.000 1.566 870 G CA 0.269 45.410 45.100 0.069 0.000 1.074 870 G HN 0.554 nan 8.290 nan 0.000 0.564 871 N N -0.168 118.539 118.700 0.013 0.000 2.144 871 N HA -0.285 4.455 4.740 -0.000 0.000 0.195 871 N C 1.937 177.453 175.510 0.010 0.000 1.006 871 N CA 2.029 55.079 53.050 -0.000 0.000 0.880 871 N CB -0.349 38.111 38.487 -0.044 0.000 1.018 871 N HN 0.657 nan 8.380 nan 0.000 0.443 872 Q N 0.371 120.177 119.800 0.010 0.000 2.016 872 Q HA -0.041 4.299 4.340 -0.000 0.000 0.200 872 Q C 2.149 178.164 176.000 0.024 0.000 0.978 872 Q CA 1.732 57.546 55.803 0.018 0.000 0.833 872 Q CB -0.295 28.471 28.738 0.047 0.000 0.895 872 Q HN 0.475 nan 8.270 nan 0.000 0.427 873 A N 1.100 123.956 122.820 0.061 0.000 1.892 873 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 873 A C -0.358 177.324 177.584 0.163 0.000 1.188 873 A CA 1.568 53.651 52.037 0.076 0.000 0.631 873 A CB -1.783 17.347 19.000 0.215 0.000 0.822 873 A HN 0.448 nan 8.150 nan 0.000 0.447 874 P HA -0.139 nan 4.420 nan 0.000 0.216 874 P C 1.669 179.024 177.300 0.092 0.000 1.154 874 P CA 1.992 65.171 63.100 0.133 0.000 0.865 874 P CB -0.165 31.584 31.700 0.082 0.000 0.789 875 S N -1.219 114.508 115.700 0.045 0.000 2.406 875 S HA -0.027 4.443 4.470 -0.000 0.000 0.228 875 S C 1.819 176.425 174.600 0.009 0.000 1.020 875 S CA 0.866 59.078 58.200 0.019 0.000 0.965 875 S CB -0.873 62.325 63.200 -0.003 0.000 0.798 875 S HN 0.103 nan 8.310 nan 0.000 0.488 876 L N -0.557 120.644 121.223 -0.038 0.000 2.044 876 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 876 L C 2.061 178.854 176.870 -0.130 0.000 1.075 876 L CA 1.360 56.124 54.840 -0.126 0.000 0.747 876 L CB -0.656 41.217 42.059 -0.310 0.000 0.903 876 L HN 0.311 nan 8.230 nan 0.000 0.435 877 Y N -0.069 120.221 120.300 -0.017 0.000 2.421 877 Y HA -0.171 4.379 4.550 -0.000 0.000 0.292 877 Y C 2.595 178.495 175.900 -0.000 0.000 1.136 877 Y CA 0.563 58.656 58.100 -0.012 0.000 1.255 877 Y CB -0.332 38.114 38.460 -0.024 0.000 0.991 877 Y HN 0.164 nan 8.280 nan 0.000 0.552 878 A N 0.241 123.142 122.820 0.136 0.000 1.841 878 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 878 A C 1.969 179.592 177.584 0.064 0.000 1.195 878 A CA 1.741 53.826 52.037 0.079 0.000 0.611 878 A CB -0.845 18.185 19.000 0.049 0.000 0.835 878 A HN 0.340 nan 8.150 nan 0.000 0.443 879 I N 0.238 120.844 120.570 0.059 0.000 2.493 879 I HA -0.133 4.037 4.170 -0.000 0.000 0.254 879 I C 2.522 178.687 176.117 0.079 0.000 1.160 879 I CA 1.251 62.590 61.300 0.064 0.000 1.445 879 I CB -0.295 37.750 38.000 0.075 0.000 1.086 879 I HN 0.173 nan 8.210 nan 0.000 0.433 880 S N 0.082 115.831 115.700 0.081 0.000 2.399 880 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 880 S C 1.971 176.632 174.600 0.103 0.000 1.022 880 S CA 1.083 59.338 58.200 0.092 0.000 0.983 880 S CB -0.236 63.026 63.200 0.102 0.000 0.803 880 S HN 0.389 nan 8.310 nan 0.000 0.480 881 L N 0.568 121.852 121.223 0.102 0.000 2.131 881 L HA 0.027 4.367 4.340 -0.000 0.000 0.206 881 L C 2.069 178.999 176.870 0.100 0.000 1.087 881 L CA 0.871 55.769 54.840 0.097 0.000 0.767 881 L CB -0.564 41.538 42.059 0.073 0.000 0.917 881 L HN 0.305 nan 8.230 nan 0.000 0.441 882 I N -0.513 120.103 120.570 0.077 0.000 2.226 882 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 882 I C 2.323 178.519 176.117 0.131 0.000 1.100 882 I CA 1.090 62.435 61.300 0.074 0.000 1.374 882 I CB -0.213 37.815 38.000 0.047 0.000 1.057 882 I HN 0.030 nan 8.210 nan 0.000 0.413 883 V N -0.277 119.706 119.914 0.116 0.000 2.649 883 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 883 V C 2.343 178.503 176.094 0.110 0.000 1.054 883 V CA 0.780 63.147 62.300 0.112 0.000 1.073 883 V CB 0.106 31.984 31.823 0.091 0.000 0.699 883 V HN 0.201 nan 8.190 nan 0.000 0.463 884 V N -0.175 119.804 119.914 0.108 0.000 2.407 884 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 884 V C 2.162 178.307 176.094 0.085 0.000 1.055 884 V CA 2.500 64.849 62.300 0.080 0.000 1.049 884 V CB -0.617 31.251 31.823 0.075 0.000 0.662 884 V HN 0.614 nan 8.190 nan 0.000 0.455 885 F N -0.499 119.444 119.950 -0.013 0.000 2.146 885 F HA -0.120 4.406 4.527 -0.000 0.000 0.298 885 F C 2.102 177.904 175.800 0.004 0.000 1.096 885 F CA 1.466 59.444 58.000 -0.037 0.000 1.275 885 F CB -0.038 38.939 39.000 -0.039 0.000 1.008 885 F HN -0.010 nan 8.300 nan 0.000 0.480 886 L N -0.481 120.851 121.223 0.181 0.000 2.093 886 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 886 L C 2.367 179.245 176.870 0.012 0.000 1.085 886 L CA 1.377 56.282 54.840 0.109 0.000 0.755 886 L CB -1.518 40.633 42.059 0.153 0.000 0.904 886 L HN 0.322 nan 8.230 nan 0.000 0.435 887 C N -0.557 118.753 119.300 0.017 0.000 2.481 887 C HA 0.019 4.479 4.460 -0.000 0.000 0.275 887 C C 1.923 176.932 174.990 0.031 0.000 1.419 887 C CA -0.295 58.735 59.018 0.020 0.000 1.773 887 C CB -0.744 27.013 27.740 0.028 0.000 1.862 887 C HN 0.273 nan 8.230 nan 0.000 0.530 888 L N 0.678 121.858 121.223 -0.072 0.000 2.990 888 L HA 0.348 4.688 4.340 -0.000 0.000 0.231 888 L C 1.100 177.860 176.870 -0.183 0.000 1.341 888 L CA 0.220 54.958 54.840 -0.170 0.000 1.208 888 L CB -0.330 41.476 42.059 -0.420 0.000 1.571 888 L HN 0.332 nan 8.230 nan 0.000 0.453 889 A N -0.743 122.079 122.820 0.003 0.000 1.781 889 A HA 0.279 4.599 4.320 -0.000 0.000 0.180 889 A C 1.835 179.379 177.584 -0.066 0.000 1.996 889 A CA 0.612 52.585 52.037 -0.106 0.000 1.576 889 A CB -0.350 18.510 19.000 -0.232 0.000 1.609 889 A HN 0.279 nan 8.150 nan 0.000 0.304 890 A N -0.419 122.381 122.820 -0.033 0.000 2.070 890 A HA 0.201 4.520 4.320 -0.000 0.000 0.220 890 A C 1.373 178.899 177.584 -0.096 0.000 1.159 890 A CA 1.685 53.690 52.037 -0.052 0.000 0.656 890 A CB -0.235 18.747 19.000 -0.029 0.000 0.800 890 A HN 0.441 nan 8.150 nan 0.000 0.453 891 L N -2.570 118.579 121.223 -0.124 0.000 2.906 891 L HA 0.299 4.639 4.340 -0.000 0.000 0.255 891 L C 0.653 177.130 176.870 -0.656 0.000 1.166 891 L CA 0.695 55.309 54.840 -0.377 0.000 0.977 891 L CB -1.057 40.709 42.059 -0.487 0.000 1.313 891 L HN 0.532 nan 8.230 nan 0.000 0.549 892 Y N 0.058 120.262 120.300 -0.159 0.000 2.965 892 Y HA 0.190 4.740 4.550 -0.000 0.000 0.242 892 Y C 0.244 176.025 175.900 -0.198 0.000 1.078 892 Y CA -0.859 57.137 58.100 -0.173 0.000 1.288 892 Y CB 0.509 38.854 38.460 -0.191 0.000 1.459 892 Y HN 0.051 nan 8.280 nan 0.000 0.438 893 E N 1.646 121.792 120.200 -0.091 0.000 4.220 893 E HA -0.037 4.313 4.350 -0.000 0.000 0.160 893 E C -0.703 175.732 176.600 -0.276 0.000 1.630 893 E CA 0.510 56.775 56.400 -0.226 0.000 0.960 893 E CB -1.449 28.142 29.700 -0.181 0.000 1.061 893 E HN 0.403 nan 8.360 nan 0.000 0.360 894 S N 0.380 115.818 115.700 -0.437 0.000 2.660 894 S HA 0.568 5.038 4.470 -0.000 0.000 0.264 894 S C -1.408 172.884 174.600 -0.514 0.000 1.131 894 S CA -1.109 56.852 58.200 -0.397 0.000 0.846 894 S CB 0.895 63.984 63.200 -0.185 0.000 1.151 894 S HN 0.389 nan 8.310 nan 0.000 0.486 895 W N 1.630 122.909 121.300 -0.034 0.000 1.506 895 W HA 0.507 5.167 4.660 -0.000 0.000 0.296 895 W C 0.909 177.513 176.519 0.141 0.000 0.847 895 W CA -0.087 57.277 57.345 0.031 0.000 2.203 895 W CB 1.047 30.601 29.460 0.157 0.000 2.219 895 W HN 1.002 nan 8.180 nan 0.000 0.464 896 S N -2.487 113.346 115.700 0.222 0.000 2.961 896 S HA 0.007 4.477 4.470 -0.000 0.000 0.253 896 S C 1.120 175.769 174.600 0.082 0.000 1.029 896 S CA -0.094 58.257 58.200 0.251 0.000 1.087 896 S CB -0.021 63.264 63.200 0.141 0.000 0.932 896 S HN 0.138 nan 8.310 nan 0.000 0.418 897 I N 3.327 123.855 120.570 -0.071 0.000 2.194 897 I HA -0.062 4.108 4.170 -0.000 0.000 0.246 897 I C -1.037 174.912 176.117 -0.281 0.000 1.093 897 I CA 1.543 62.733 61.300 -0.183 0.000 1.355 897 I CB -1.011 36.837 38.000 -0.254 0.000 1.046 897 I HN 0.302 nan 8.210 nan 0.000 0.413 898 P HA -0.147 nan 4.420 nan 0.000 0.217 898 P C 1.623 178.812 177.300 -0.185 0.000 1.150 898 P CA 1.608 64.438 63.100 -0.450 0.000 0.832 898 P CB -0.134 31.036 31.700 -0.883 0.000 0.787 899 F N 0.361 120.362 119.950 0.084 0.000 2.293 899 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 899 F C 2.553 178.367 175.800 0.024 0.000 1.086 899 F CA 1.163 59.221 58.000 0.097 0.000 1.375 899 F CB -0.851 38.213 39.000 0.107 0.000 1.045 899 F HN -0.012 nan 8.300 nan 0.000 0.516 900 S N -0.134 115.652 115.700 0.142 0.000 2.368 900 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 900 S C 1.864 176.472 174.600 0.014 0.000 1.030 900 S CA 1.334 59.568 58.200 0.057 0.000 0.999 900 S CB -1.060 62.147 63.200 0.012 0.000 0.844 900 S HN 0.166 nan 8.310 nan 0.000 0.459 901 V N 1.393 121.289 119.914 -0.030 0.000 2.871 901 V HA 0.149 4.269 4.120 -0.000 0.000 0.256 901 V C 2.320 178.425 176.094 0.019 0.000 1.082 901 V CA 1.429 63.703 62.300 -0.043 0.000 1.105 901 V CB -0.646 31.106 31.823 -0.119 0.000 0.713 901 V HN 0.534 nan 8.190 nan 0.000 0.473 902 M N 0.446 120.093 119.600 0.079 0.000 2.563 902 M HA 0.179 4.659 4.480 -0.000 0.000 0.231 902 M C 0.589 176.972 176.300 0.137 0.000 1.136 902 M CA 0.930 56.308 55.300 0.130 0.000 1.026 902 M CB 0.088 32.825 32.600 0.229 0.000 1.597 902 M HN 0.431 nan 8.290 nan 0.000 0.495 903 L N -2.839 118.456 121.223 0.121 0.000 3.347 903 L HA 0.312 4.652 4.340 -0.000 0.000 0.306 903 L C 0.503 177.464 176.870 0.153 0.000 1.301 903 L CA -0.511 54.423 54.840 0.157 0.000 0.985 903 L CB -0.299 41.853 42.059 0.156 0.000 1.400 903 L HN -0.232 nan 8.230 nan 0.000 0.601 904 V N -1.601 118.366 119.914 0.089 0.000 3.647 904 V HA 0.028 4.148 4.120 -0.000 0.000 0.279 904 V C 2.246 178.372 176.094 0.055 0.000 1.314 904 V CA 0.732 63.073 62.300 0.068 0.000 1.125 904 V CB 0.345 32.179 31.823 0.019 0.000 0.907 904 V HN 0.421 nan 8.190 nan 0.000 0.434 905 V N 0.453 120.401 119.914 0.057 0.000 2.261 905 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 905 V C 0.090 176.192 176.094 0.014 0.000 1.047 905 V CA 1.951 64.267 62.300 0.027 0.000 1.015 905 V CB -2.170 29.664 31.823 0.018 0.000 0.642 905 V HN 0.538 nan 8.190 nan 0.000 0.446 906 P HA 0.047 nan 4.420 nan 0.000 0.233 906 P C 1.582 178.889 177.300 0.012 0.000 1.167 906 P CA 0.574 63.669 63.100 -0.009 0.000 0.770 906 P CB 0.003 31.673 31.700 -0.050 0.000 0.837 907 L N -0.267 120.988 121.223 0.052 0.000 2.023 907 L HA 0.031 4.371 4.340 -0.000 0.000 0.205 907 L C 2.569 179.464 176.870 0.041 0.000 1.073 907 L CA 2.283 57.160 54.840 0.062 0.000 0.745 907 L CB -1.827 40.283 42.059 0.086 0.000 0.900 907 L HN 0.014 nan 8.230 nan 0.000 0.435 908 G N -1.799 107.016 108.800 0.024 0.000 2.511 908 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.217 908 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.217 908 G C 1.498 176.412 174.900 0.024 0.000 1.133 908 G CA 0.710 45.817 45.100 0.012 0.000 0.792 908 G HN 0.240 nan 8.290 nan 0.000 0.539 909 V N 0.581 120.508 119.914 0.021 0.000 2.535 909 V HA -0.008 4.112 4.120 -0.000 0.000 0.246 909 V C 2.464 178.608 176.094 0.083 0.000 1.045 909 V CA 0.929 63.250 62.300 0.035 0.000 1.058 909 V CB -0.016 31.800 31.823 -0.011 0.000 0.689 909 V HN 0.355 nan 8.190 nan 0.000 0.461 910 I N 1.495 122.101 120.570 0.059 0.000 2.286 910 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 910 I C 2.224 178.396 176.117 0.092 0.000 1.115 910 I CA 1.903 63.246 61.300 0.071 0.000 1.392 910 I CB -0.683 37.339 38.000 0.036 0.000 1.065 910 I HN 0.223 nan 8.210 nan 0.000 0.418 911 G N -0.446 108.404 108.800 0.083 0.000 2.421 911 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.217 911 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.217 911 G C 1.714 176.695 174.900 0.135 0.000 1.143 911 G CA 0.587 45.739 45.100 0.087 0.000 0.784 911 G HN 0.562 nan 8.290 nan 0.000 0.541 912 A N 0.715 123.640 122.820 0.174 0.000 1.898 912 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 912 A C 2.329 180.198 177.584 0.474 0.000 1.181 912 A CA 0.976 53.195 52.037 0.304 0.000 0.620 912 A CB -0.373 18.748 19.000 0.201 0.000 0.819 912 A HN 0.324 nan 8.150 nan 0.000 0.442 913 L N -0.972 120.491 121.223 0.401 0.000 2.362 913 L HA -0.068 4.272 4.340 -0.000 0.000 0.219 913 L C 2.393 179.356 176.870 0.155 0.000 1.134 913 L CA 0.447 55.481 54.840 0.322 0.000 0.807 913 L CB -0.337 41.896 42.059 0.289 0.000 0.927 913 L HN 0.392 nan 8.230 nan 0.000 0.447 914 L N -0.362 120.947 121.223 0.144 0.000 2.072 914 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 914 L C 2.633 179.568 176.870 0.110 0.000 1.079 914 L CA 1.469 56.367 54.840 0.098 0.000 0.752 914 L CB -0.268 41.824 42.059 0.055 0.000 0.906 914 L HN 0.164 nan 8.230 nan 0.000 0.436 915 A N -0.984 121.908 122.820 0.121 0.000 1.970 915 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 915 A C 2.321 179.966 177.584 0.101 0.000 1.170 915 A CA 1.251 53.369 52.037 0.135 0.000 0.645 915 A CB -0.695 18.389 19.000 0.139 0.000 0.816 915 A HN 0.472 nan 8.150 nan 0.000 0.447 916 A N -0.986 121.826 122.820 -0.014 0.000 1.898 916 A HA 0.026 4.346 4.320 -0.000 0.000 0.214 916 A C 2.220 179.718 177.584 -0.142 0.000 1.183 916 A CA 1.956 53.861 52.037 -0.219 0.000 0.622 916 A CB -0.916 17.602 19.000 -0.805 0.000 0.824 916 A HN 0.378 nan 8.150 nan 0.000 0.444 917 T N -0.922 113.591 114.554 -0.068 0.000 2.985 917 T HA -0.013 4.337 4.350 -0.000 0.000 0.266 917 T C 1.544 176.274 174.700 0.050 0.000 1.076 917 T CA 1.205 63.288 62.100 -0.029 0.000 1.135 917 T CB -0.285 68.580 68.868 -0.005 0.000 0.890 917 T HN 0.425 nan 8.240 nan 0.000 0.480 918 F N 1.975 121.901 119.950 -0.039 0.000 2.098 918 F HA 0.220 4.747 4.527 -0.000 0.000 0.294 918 F C 1.394 177.182 175.800 -0.021 0.000 1.107 918 F CA 0.651 58.640 58.000 -0.017 0.000 1.234 918 F CB -0.043 38.958 39.000 0.001 0.000 1.002 918 F HN -0.138 nan 8.300 nan 0.000 0.472 919 R N 0.022 120.515 120.500 -0.013 0.000 2.668 919 R HA 0.215 4.555 4.340 -0.000 0.000 0.268 919 R C 0.640 176.876 176.300 -0.106 0.000 1.232 919 R CA 0.414 56.450 56.100 -0.106 0.000 1.166 919 R CB 0.069 30.377 30.300 0.014 0.000 1.179 919 R HN 0.290 nan 8.270 nan 0.000 0.606 920 G N 1.650 110.397 108.800 -0.089 0.000 3.474 920 G HA2 0.222 4.182 3.960 -0.000 0.000 0.269 920 G HA3 0.222 4.182 3.960 -0.000 0.000 0.269 920 G C 0.303 175.171 174.900 -0.053 0.000 1.339 920 G CA -0.198 44.858 45.100 -0.074 0.000 1.258 920 G HN 0.218 nan 8.290 nan 0.000 0.560 921 L N -0.835 120.349 121.223 -0.064 0.000 2.397 921 L HA 0.805 5.145 4.340 -0.000 0.000 0.266 921 L C 0.380 177.180 176.870 -0.117 0.000 1.040 921 L CA -0.817 53.983 54.840 -0.067 0.000 0.800 921 L CB 2.036 44.056 42.059 -0.065 0.000 1.324 921 L HN 0.081 nan 8.230 nan 0.000 0.469 922 T N -1.523 112.961 114.554 -0.117 0.000 2.843 922 T HA 0.198 4.548 4.350 -0.000 0.000 0.302 922 T C -0.868 173.758 174.700 -0.122 0.000 1.232 922 T CA -0.681 61.340 62.100 -0.132 0.000 1.009 922 T CB 1.502 70.341 68.868 -0.049 0.000 1.254 922 T HN 0.619 nan 8.240 nan 0.000 0.504 923 N N 2.215 120.863 118.700 -0.086 0.000 2.498 923 N HA 0.201 4.940 4.740 -0.000 0.000 0.277 923 N C -0.144 175.489 175.510 0.205 0.000 1.208 923 N CA -0.124 53.015 53.050 0.148 0.000 1.029 923 N CB 0.097 38.635 38.487 0.085 0.000 1.403 923 N HN 0.598 nan 8.380 nan 0.000 0.500 924 D N 0.088 120.650 120.400 0.270 0.000 2.489 924 D HA 0.115 4.755 4.640 -0.000 0.000 0.232 924 D C 1.021 177.484 176.300 0.273 0.000 1.230 924 D CA -0.569 53.570 54.000 0.231 0.000 1.101 924 D CB 0.019 40.916 40.800 0.161 0.000 1.198 924 D HN 0.018 nan 8.370 nan 0.000 0.611 925 V N -1.310 118.673 119.914 0.114 0.000 2.379 925 V HA -0.120 4.000 4.120 -0.000 0.000 0.243 925 V C 2.118 178.302 176.094 0.150 0.000 1.035 925 V CA 1.190 63.517 62.300 0.046 0.000 1.035 925 V CB -0.851 30.747 31.823 -0.375 0.000 0.673 925 V HN 0.432 nan 8.190 nan 0.000 0.457 926 Y N -1.312 119.155 120.300 0.277 0.000 2.274 926 Y HA -0.235 4.315 4.550 -0.000 0.000 0.290 926 Y C 2.232 178.360 175.900 0.379 0.000 1.145 926 Y CA 1.984 60.299 58.100 0.358 0.000 1.203 926 Y CB -0.295 38.355 38.460 0.317 0.000 0.984 926 Y HN 0.297 nan 8.280 nan 0.000 0.533 927 F N 0.788 120.946 119.950 0.345 0.000 2.234 927 F HA -0.100 4.427 4.527 -0.000 0.000 0.296 927 F C 2.366 178.319 175.800 0.255 0.000 1.089 927 F CA 1.163 59.321 58.000 0.262 0.000 1.343 927 F CB -0.394 38.726 39.000 0.200 0.000 1.040 927 F HN -0.046 nan 8.300 nan 0.000 0.498 928 Q N -0.019 119.928 119.800 0.245 0.000 2.124 928 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 928 Q C 1.820 177.873 176.000 0.089 0.000 0.977 928 Q CA 2.144 58.047 55.803 0.168 0.000 0.850 928 Q CB -0.165 28.768 28.738 0.326 0.000 0.901 928 Q HN 0.335 nan 8.270 nan 0.000 0.429 929 V N -0.588 119.421 119.914 0.158 0.000 3.235 929 V HA 0.049 4.168 4.120 -0.000 0.000 0.259 929 V C 1.994 178.098 176.094 0.016 0.000 1.133 929 V CA 1.170 63.500 62.300 0.049 0.000 1.128 929 V CB -0.300 31.607 31.823 0.140 0.000 0.757 929 V HN 0.514 nan 8.190 nan 0.000 0.469 930 G N 0.281 109.111 108.800 0.050 0.000 2.443 930 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 930 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 930 G C 1.482 176.354 174.900 -0.048 0.000 1.131 930 G CA 0.572 45.688 45.100 0.026 0.000 0.775 930 G HN 0.455 nan 8.290 nan 0.000 0.547 931 L N -0.513 120.630 121.223 -0.133 0.000 2.056 931 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 931 L C 2.736 179.641 176.870 0.058 0.000 1.078 931 L CA 0.622 55.411 54.840 -0.086 0.000 0.749 931 L CB -0.462 41.543 42.059 -0.090 0.000 0.901 931 L HN 0.176 nan 8.230 nan 0.000 0.433 932 L N -0.769 120.536 121.223 0.137 0.000 2.217 932 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 932 L C 2.515 179.590 176.870 0.342 0.000 1.107 932 L CA 1.228 56.226 54.840 0.264 0.000 0.783 932 L CB -0.829 41.386 42.059 0.259 0.000 0.919 932 L HN 0.145 nan 8.230 nan 0.000 0.442 933 T N -1.841 112.887 114.554 0.290 0.000 2.821 933 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 933 T C 1.959 176.682 174.700 0.038 0.000 1.046 933 T CA 1.752 63.966 62.100 0.190 0.000 1.139 933 T CB -0.163 68.830 68.868 0.208 0.000 0.871 933 T HN 0.272 nan 8.240 nan 0.000 0.454 934 T N 1.470 116.037 114.554 0.022 0.000 2.867 934 T HA 0.089 4.439 4.350 -0.000 0.000 0.268 934 T C 1.803 176.481 174.700 -0.037 0.000 1.057 934 T CA 0.617 62.691 62.100 -0.044 0.000 1.136 934 T CB -0.297 68.551 68.868 -0.033 0.000 0.874 934 T HN 0.302 nan 8.240 nan 0.000 0.466 935 I N 0.602 121.176 120.570 0.007 0.000 2.546 935 I HA 0.043 4.213 4.170 -0.000 0.000 0.255 935 I C 2.581 178.679 176.117 -0.033 0.000 1.163 935 I CA 0.884 62.188 61.300 0.007 0.000 1.457 935 I CB -0.192 37.844 38.000 0.060 0.000 1.092 935 I HN 0.236 nan 8.210 nan 0.000 0.434 936 G N 0.230 108.992 108.800 -0.064 0.000 2.551 936 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.216 936 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.216 936 G C 1.536 176.363 174.900 -0.122 0.000 1.137 936 G CA 0.210 45.231 45.100 -0.131 0.000 0.798 936 G HN 0.292 nan 8.290 nan 0.000 0.536 937 L N 0.131 121.280 121.223 -0.123 0.000 2.513 937 L HA 0.200 4.540 4.340 -0.000 0.000 0.222 937 L C 2.599 179.392 176.870 -0.128 0.000 1.096 937 L CA 0.189 54.936 54.840 -0.155 0.000 0.857 937 L CB 0.430 42.327 42.059 -0.270 0.000 1.026 937 L HN 0.067 nan 8.230 nan 0.000 0.469 938 S N -0.005 115.638 115.700 -0.095 0.000 2.439 938 S HA 0.087 4.557 4.470 -0.000 0.000 0.224 938 S C 2.136 176.698 174.600 -0.062 0.000 1.029 938 S CA 0.805 58.964 58.200 -0.068 0.000 0.946 938 S CB 0.220 63.396 63.200 -0.041 0.000 0.797 938 S HN 0.410 nan 8.310 nan 0.000 0.504 939 A N 2.125 124.907 122.820 -0.064 0.000 1.897 939 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 939 A C 1.943 179.482 177.584 -0.075 0.000 1.181 939 A CA 1.761 53.757 52.037 -0.068 0.000 0.620 939 A CB -0.456 18.507 19.000 -0.063 0.000 0.821 939 A HN 0.351 nan 8.150 nan 0.000 0.443 940 K N 0.894 121.247 120.400 -0.079 0.000 1.991 940 K HA -0.168 4.152 4.320 -0.000 0.000 0.212 940 K C 1.519 178.078 176.600 -0.067 0.000 1.049 940 K CA 2.287 58.530 56.287 -0.073 0.000 0.932 940 K CB -0.564 31.888 32.500 -0.079 0.000 0.717 940 K HN 0.382 nan 8.250 nan 0.000 0.441 941 N N 0.310 118.967 118.700 -0.071 0.000 2.166 941 N HA -0.084 4.656 4.740 -0.000 0.000 0.186 941 N C 1.517 176.984 175.510 -0.071 0.000 1.019 941 N CA 1.563 54.577 53.050 -0.061 0.000 0.856 941 N CB -0.519 37.928 38.487 -0.067 0.000 0.993 941 N HN 0.409 nan 8.380 nan 0.000 0.426 942 A N 0.169 122.938 122.820 -0.085 0.000 2.067 942 A HA 0.090 4.410 4.320 -0.000 0.000 0.217 942 A C 2.146 179.669 177.584 -0.101 0.000 1.156 942 A CA 0.508 52.481 52.037 -0.106 0.000 0.683 942 A CB -0.400 18.543 19.000 -0.095 0.000 0.808 942 A HN 0.206 nan 8.150 nan 0.000 0.455 943 I N -0.107 120.410 120.570 -0.088 0.000 2.617 943 I HA -0.149 4.021 4.170 -0.000 0.000 0.256 943 I C 1.958 178.016 176.117 -0.098 0.000 1.167 943 I CA 0.560 61.816 61.300 -0.074 0.000 1.469 943 I CB -0.045 37.933 38.000 -0.038 0.000 1.098 943 I HN 0.295 nan 8.210 nan 0.000 0.436 944 L N 0.135 121.300 121.223 -0.097 0.000 2.156 944 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 944 L C 2.386 179.263 176.870 0.010 0.000 1.095 944 L CA 1.014 55.793 54.840 -0.103 0.000 0.770 944 L CB -0.525 41.565 42.059 0.051 0.000 0.914 944 L HN 0.227 nan 8.230 nan 0.000 0.439 945 I N -0.488 120.076 120.570 -0.011 0.000 2.546 945 I HA -0.156 4.014 4.170 -0.000 0.000 0.255 945 I C 2.275 178.402 176.117 0.017 0.000 1.163 945 I CA 1.104 62.398 61.300 -0.010 0.000 1.457 945 I CB -0.256 37.618 38.000 -0.210 0.000 1.092 945 I HN 0.116 nan 8.210 nan 0.000 0.434 946 V N 0.251 120.154 119.914 -0.019 0.000 2.949 946 V HA -0.075 4.044 4.120 -0.000 0.000 0.245 946 V C 2.342 178.457 176.094 0.035 0.000 1.086 946 V CA 0.915 63.219 62.300 0.008 0.000 1.097 946 V CB 0.041 31.837 31.823 -0.045 0.000 0.762 946 V HN 0.248 nan 8.190 nan 0.000 0.470 947 E N 0.654 120.826 120.200 -0.046 0.000 2.033 947 E HA -0.085 4.265 4.350 -0.000 0.000 0.189 947 E C 1.909 178.442 176.600 -0.110 0.000 0.979 947 E CA 1.583 57.904 56.400 -0.132 0.000 0.802 947 E CB -0.323 29.167 29.700 -0.350 0.000 0.763 947 E HN 0.559 nan 8.360 nan 0.000 0.449 948 F N 0.075 120.053 119.950 0.047 0.000 2.234 948 F HA -0.003 4.524 4.527 -0.000 0.000 0.299 948 F C 2.220 178.054 175.800 0.057 0.000 1.087 948 F CA 0.515 58.542 58.000 0.044 0.000 1.340 948 F CB -0.098 38.929 39.000 0.046 0.000 1.031 948 F HN 0.137 nan 8.300 nan 0.000 0.500 949 A N -0.710 122.250 122.820 0.234 0.000 2.067 949 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 949 A C 1.859 179.528 177.584 0.142 0.000 1.156 949 A CA 1.177 53.325 52.037 0.184 0.000 0.683 949 A CB -0.239 18.871 19.000 0.183 0.000 0.808 949 A HN 0.090 nan 8.150 nan 0.000 0.455 950 K N -0.181 120.284 120.400 0.109 0.000 2.354 950 K HA 0.114 4.434 4.320 -0.000 0.000 0.194 950 K C 0.645 177.280 176.600 0.058 0.000 1.038 950 K CA 0.449 56.780 56.287 0.074 0.000 1.052 950 K CB 0.163 32.696 32.500 0.054 0.000 0.861 950 K HN 0.295 nan 8.250 nan 0.000 0.535 951 D N -0.008 120.438 120.400 0.078 0.000 2.317 951 D HA 0.010 4.650 4.640 -0.000 0.000 0.211 951 D C 1.437 177.787 176.300 0.083 0.000 0.966 951 D CA 0.612 54.657 54.000 0.075 0.000 0.876 951 D CB 0.379 41.245 40.800 0.111 0.000 0.927 951 D HN 0.140 nan 8.370 nan 0.000 0.519 952 L N -0.177 121.106 121.223 0.101 0.000 2.168 952 L HA 0.078 4.418 4.340 -0.000 0.000 0.203 952 L C 2.433 179.349 176.870 0.077 0.000 1.078 952 L CA 0.329 55.221 54.840 0.087 0.000 0.780 952 L CB -0.150 41.969 42.059 0.100 0.000 0.939 952 L HN -0.040 nan 8.230 nan 0.000 0.451 953 M N -0.179 119.474 119.600 0.088 0.000 2.067 953 M HA -0.231 4.249 4.480 -0.000 0.000 0.260 953 M C 1.588 177.923 176.300 0.059 0.000 1.069 953 M CA 1.993 57.348 55.300 0.091 0.000 1.117 953 M CB -0.010 32.653 32.600 0.104 0.000 1.334 953 M HN 0.195 nan 8.290 nan 0.000 0.407 954 D N -0.287 120.136 120.400 0.039 0.000 2.214 954 D HA -0.061 4.579 4.640 -0.000 0.000 0.217 954 D C 1.973 178.285 176.300 0.020 0.000 0.973 954 D CA 1.107 55.118 54.000 0.019 0.000 0.880 954 D CB -0.256 40.545 40.800 0.001 0.000 1.031 954 D HN 0.373 nan 8.370 nan 0.000 0.468 955 K N 0.910 121.323 120.400 0.021 0.000 2.002 955 K HA -0.077 4.243 4.320 -0.000 0.000 0.209 955 K C 1.842 178.456 176.600 0.023 0.000 1.048 955 K CA 0.969 57.267 56.287 0.019 0.000 0.930 955 K CB 0.092 32.605 32.500 0.021 0.000 0.714 955 K HN 0.246 nan 8.250 nan 0.000 0.438 956 E N 0.010 120.229 120.200 0.032 0.000 3.145 956 E HA 0.118 4.468 4.350 -0.000 0.000 0.412 956 E C 0.808 177.427 176.600 0.032 0.000 0.371 956 E CA -0.064 56.354 56.400 0.031 0.000 2.392 956 E CB -0.085 29.637 29.700 0.036 0.000 2.126 956 E HN 0.201 nan 8.360 nan 0.000 0.483 957 G N 0.054 108.877 108.800 0.038 0.000 2.454 957 G HA2 0.264 4.224 3.960 -0.000 0.000 0.329 957 G HA3 0.264 4.224 3.960 -0.000 0.000 0.329 957 G C 0.166 175.098 174.900 0.054 0.000 1.177 957 G CA -0.269 44.854 45.100 0.038 0.000 0.951 957 G HN 0.188 nan 8.290 nan 0.000 0.485 958 K N 0.682 121.117 120.400 0.059 0.000 1.965 958 K HA 0.126 4.446 4.320 -0.000 0.000 0.218 958 K C 1.332 177.992 176.600 0.101 0.000 1.048 958 K CA 1.621 57.963 56.287 0.091 0.000 0.960 958 K CB -0.745 31.811 32.500 0.093 0.000 0.732 958 K HN 1.627 nan 8.250 nan 0.000 0.444 959 G N 1.040 109.875 108.800 0.059 0.000 2.460 959 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.259 959 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.259 959 G C 0.246 175.136 174.900 -0.016 0.000 0.959 959 G CA 0.408 45.521 45.100 0.021 0.000 1.330 959 G HN 0.385 nan 8.290 nan 0.000 0.451 960 L N 1.447 122.616 121.223 -0.089 0.000 1.990 960 L HA -0.047 4.293 4.340 -0.000 0.000 0.213 960 L C 2.572 179.098 176.870 -0.573 0.000 1.072 960 L CA 2.692 57.340 54.840 -0.320 0.000 0.755 960 L CB -0.017 41.900 42.059 -0.238 0.000 0.889 960 L HN 0.901 nan 8.230 nan 0.000 0.432 961 I N -5.746 114.629 120.570 -0.326 0.000 4.225 961 I HA 0.209 4.379 4.170 -0.000 0.000 0.327 961 I C 0.618 176.640 176.117 -0.158 0.000 1.422 961 I CA -0.160 60.975 61.300 -0.276 0.000 1.150 961 I CB 0.367 38.203 38.000 -0.275 0.000 1.192 961 I HN -0.023 nan 8.210 nan 0.000 0.440 962 E N 1.497 121.633 120.200 -0.107 0.000 2.501 962 E HA 0.388 4.738 4.350 -0.000 0.000 0.200 962 E C 1.591 178.183 176.600 -0.013 0.000 1.016 962 E CA 0.490 56.855 56.400 -0.060 0.000 0.921 962 E CB 0.989 30.660 29.700 -0.049 0.000 1.034 962 E HN 0.617 nan 8.360 nan 0.000 0.468 963 A N 0.064 122.890 122.820 0.010 0.000 2.013 963 A HA -0.023 4.297 4.320 -0.000 0.000 0.204 963 A C 2.222 179.866 177.584 0.100 0.000 1.262 963 A CA 0.930 53.008 52.037 0.067 0.000 0.800 963 A CB -0.484 18.580 19.000 0.107 0.000 0.909 963 A HN 0.302 nan 8.150 nan 0.000 0.472 964 T N -1.099 113.514 114.554 0.098 0.000 2.821 964 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 964 T C 1.861 176.636 174.700 0.125 0.000 1.046 964 T CA 1.425 63.624 62.100 0.164 0.000 1.139 964 T CB -0.470 68.499 68.868 0.169 0.000 0.871 964 T HN 0.225 nan 8.240 nan 0.000 0.454 965 L N 1.157 122.374 121.223 -0.012 0.000 2.072 965 L HA 0.025 4.365 4.340 -0.000 0.000 0.205 965 L C 2.328 179.196 176.870 -0.003 0.000 1.079 965 L CA 1.990 56.779 54.840 -0.085 0.000 0.752 965 L CB -0.429 41.552 42.059 -0.129 0.000 0.906 965 L HN 0.172 nan 8.230 nan 0.000 0.436 966 D N -0.598 119.816 120.400 0.025 0.000 2.312 966 D HA -0.107 4.533 4.640 -0.000 0.000 0.211 966 D C 1.985 178.330 176.300 0.075 0.000 0.964 966 D CA 1.000 55.025 54.000 0.041 0.000 0.877 966 D CB 0.268 41.088 40.800 0.033 0.000 0.924 966 D HN 0.464 nan 8.370 nan 0.000 0.515 967 A N -0.301 122.595 122.820 0.126 0.000 1.854 967 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 967 A C 2.282 179.974 177.584 0.179 0.000 1.192 967 A CA 1.184 53.323 52.037 0.169 0.000 0.611 967 A CB -0.863 18.279 19.000 0.237 0.000 0.832 967 A HN 0.206 nan 8.150 nan 0.000 0.442 968 V N 0.249 120.320 119.914 0.261 0.000 3.217 968 V HA -0.082 4.038 4.120 -0.000 0.000 0.264 968 V C 2.363 178.570 176.094 0.189 0.000 1.135 968 V CA 1.478 63.953 62.300 0.292 0.000 1.142 968 V CB -0.837 31.322 31.823 0.560 0.000 0.754 968 V HN 0.575 nan 8.190 nan 0.000 0.484 969 R N 0.987 121.564 120.500 0.129 0.000 2.193 969 R HA -0.088 4.252 4.340 -0.000 0.000 0.229 969 R C 1.187 177.508 176.300 0.035 0.000 1.110 969 R CA 1.707 57.854 56.100 0.079 0.000 0.988 969 R CB -0.118 30.212 30.300 0.051 0.000 0.871 969 R HN 0.709 nan 8.270 nan 0.000 0.458 970 M N -0.985 118.624 119.600 0.016 0.000 3.101 970 M HA 0.360 4.840 4.480 -0.000 0.000 0.307 970 M C -0.583 175.667 176.300 -0.083 0.000 1.315 970 M CA -0.537 54.740 55.300 -0.039 0.000 0.734 970 M CB 1.007 33.572 32.600 -0.057 0.000 1.392 970 M HN -0.089 nan 8.290 nan 0.000 0.496 971 R N -0.876 119.605 120.500 -0.031 0.000 2.512 971 R HA 0.131 4.471 4.340 -0.000 0.000 0.191 971 R C 0.070 176.377 176.300 0.011 0.000 0.622 971 R CA -0.455 55.631 56.100 -0.023 0.000 0.844 971 R CB -1.339 28.951 30.300 -0.016 0.000 1.228 971 R HN 0.426 nan 8.270 nan 0.000 0.587 972 L N 0.475 121.677 121.223 -0.035 0.000 2.217 972 L HA 0.152 4.492 4.340 -0.000 0.000 0.211 972 L C 1.904 178.718 176.870 -0.093 0.000 1.107 972 L CA 1.800 56.572 54.840 -0.113 0.000 0.783 972 L CB -0.438 41.440 42.059 -0.303 0.000 0.919 972 L HN 0.608 nan 8.230 nan 0.000 0.442 973 R N 1.026 121.488 120.500 -0.063 0.000 2.082 973 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 973 R C -0.453 175.871 176.300 0.040 0.000 1.136 973 R CA 2.172 58.294 56.100 0.036 0.000 0.935 973 R CB -1.380 28.936 30.300 0.026 0.000 0.842 973 R HN 0.335 nan 8.270 nan 0.000 0.430 974 P HA -0.117 nan 4.420 nan 0.000 0.223 974 P C 1.453 178.733 177.300 -0.033 0.000 1.151 974 P CA 1.137 64.227 63.100 -0.017 0.000 0.787 974 P CB -0.150 31.563 31.700 0.021 0.000 0.788 975 I N -0.970 119.587 120.570 -0.021 0.000 2.353 975 I HA -0.115 4.055 4.170 -0.000 0.000 0.248 975 I C 2.241 178.321 176.117 -0.062 0.000 1.119 975 I CA 1.197 62.477 61.300 -0.033 0.000 1.417 975 I CB -0.537 37.454 38.000 -0.015 0.000 1.078 975 I HN -0.020 nan 8.210 nan 0.000 0.421 976 L N -0.536 120.650 121.223 -0.062 0.000 2.607 976 L HA 0.096 4.436 4.340 -0.000 0.000 0.228 976 L C 2.068 178.833 176.870 -0.176 0.000 1.123 976 L CA 0.199 55.000 54.840 -0.065 0.000 0.890 976 L CB 0.241 42.295 42.059 -0.009 0.000 1.103 976 L HN 0.121 nan 8.230 nan 0.000 0.468 977 M N -2.058 117.371 119.600 -0.285 0.000 2.429 977 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 977 M C 1.875 177.983 176.300 -0.319 0.000 1.120 977 M CA 1.276 56.224 55.300 -0.586 0.000 1.173 977 M CB 0.258 32.518 32.600 -0.566 0.000 1.343 977 M HN 0.024 nan 8.290 nan 0.000 0.464 978 T N -0.502 113.949 114.554 -0.170 0.000 2.812 978 T HA -0.095 4.255 4.350 -0.000 0.000 0.264 978 T C 1.825 176.511 174.700 -0.022 0.000 1.042 978 T CA 1.803 63.857 62.100 -0.077 0.000 1.140 978 T CB -0.176 68.666 68.868 -0.044 0.000 0.870 978 T HN 0.426 nan 8.240 nan 0.000 0.445 979 S N 0.431 116.098 115.700 -0.056 0.000 2.406 979 S HA 0.063 4.533 4.470 -0.000 0.000 0.228 979 S C 1.948 176.556 174.600 0.013 0.000 1.020 979 S CA 0.563 58.742 58.200 -0.036 0.000 0.965 979 S CB -0.316 62.835 63.200 -0.081 0.000 0.798 979 S HN 0.379 nan 8.310 nan 0.000 0.488 980 L N 1.038 122.235 121.223 -0.044 0.000 2.156 980 L HA 0.232 4.572 4.340 -0.000 0.000 0.208 980 L C 2.357 179.215 176.870 -0.021 0.000 1.095 980 L CA 1.373 56.192 54.840 -0.035 0.000 0.770 980 L CB -0.496 41.517 42.059 -0.076 0.000 0.914 980 L HN 0.353 nan 8.230 nan 0.000 0.439 981 A N -1.277 121.514 122.820 -0.047 0.000 2.067 981 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 981 A C 2.057 179.652 177.584 0.020 0.000 1.156 981 A CA 1.020 53.035 52.037 -0.036 0.000 0.683 981 A CB -0.787 18.166 19.000 -0.078 0.000 0.808 981 A HN 0.545 nan 8.150 nan 0.000 0.455 982 F N 0.379 120.285 119.950 -0.074 0.000 2.149 982 F HA -0.025 4.502 4.527 -0.000 0.000 0.294 982 F C 1.978 177.751 175.800 -0.044 0.000 1.095 982 F CA 1.201 59.168 58.000 -0.057 0.000 1.276 982 F CB 0.054 39.022 39.000 -0.054 0.000 1.023 982 F HN 0.100 nan 8.300 nan 0.000 0.480 983 I N 0.492 121.229 120.570 0.278 0.000 2.226 983 I HA -0.294 3.875 4.170 -0.000 0.000 0.245 983 I C 2.267 178.411 176.117 0.046 0.000 1.100 983 I CA 1.514 62.918 61.300 0.174 0.000 1.374 983 I CB -1.022 37.044 38.000 0.112 0.000 1.057 983 I HN 0.267 nan 8.210 nan 0.000 0.413 984 L N 0.243 121.473 121.223 0.011 0.000 2.217 984 L HA -0.046 4.294 4.340 -0.000 0.000 0.211 984 L C 2.578 179.413 176.870 -0.060 0.000 1.107 984 L CA 1.078 55.906 54.840 -0.019 0.000 0.783 984 L CB -0.770 41.281 42.059 -0.012 0.000 0.919 984 L HN 0.246 nan 8.230 nan 0.000 0.442 985 G N -0.871 107.863 108.800 -0.110 0.000 2.448 985 G HA2 -0.108 3.851 3.960 -0.000 0.000 0.218 985 G HA3 -0.108 3.851 3.960 -0.000 0.000 0.218 985 G C 1.405 176.185 174.900 -0.201 0.000 1.135 985 G CA 0.456 45.454 45.100 -0.170 0.000 0.784 985 G HN 0.215 nan 8.290 nan 0.000 0.543 986 V N 0.492 120.289 119.914 -0.195 0.000 3.541 986 V HA 0.090 4.210 4.120 -0.000 0.000 0.267 986 V C 2.412 178.457 176.094 -0.081 0.000 1.213 986 V CA 0.952 63.159 62.300 -0.154 0.000 1.149 986 V CB 0.131 31.896 31.823 -0.098 0.000 0.822 986 V HN 0.382 nan 8.190 nan 0.000 0.462 987 M N 1.571 121.135 119.600 -0.061 0.000 2.080 987 M HA -0.094 4.386 4.480 -0.000 0.000 0.260 987 M C -0.345 175.926 176.300 -0.050 0.000 1.068 987 M CA 2.448 57.726 55.300 -0.037 0.000 1.109 987 M CB -0.827 31.757 32.600 -0.026 0.000 1.342 987 M HN 0.216 nan 8.290 nan 0.000 0.405 988 P HA -0.095 nan 4.420 nan 0.000 0.230 988 P C 0.964 178.208 177.300 -0.095 0.000 1.158 988 P CA 1.233 64.286 63.100 -0.078 0.000 0.769 988 P CB -0.258 31.389 31.700 -0.089 0.000 0.807 989 L N -1.872 119.286 121.223 -0.107 0.000 2.253 989 L HA 0.018 4.358 4.340 -0.000 0.000 0.205 989 L C 2.557 179.382 176.870 -0.075 0.000 1.078 989 L CA 0.508 55.272 54.840 -0.127 0.000 0.805 989 L CB -1.208 40.739 42.059 -0.187 0.000 0.963 989 L HN -0.226 nan 8.230 nan 0.000 0.459 990 V N 1.484 121.373 119.914 -0.042 0.000 2.237 990 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 990 V C 1.694 177.785 176.094 -0.005 0.000 1.046 990 V CA 1.933 64.230 62.300 -0.006 0.000 1.007 990 V CB -0.416 31.417 31.823 0.017 0.000 0.638 990 V HN 0.398 nan 8.190 nan 0.000 0.445 991 I N -4.295 116.267 120.570 -0.012 0.000 4.499 991 I HA 0.532 4.701 4.170 -0.000 0.000 0.204 991 I C 1.340 177.440 176.117 -0.028 0.000 0.872 991 I CA 0.277 61.569 61.300 -0.012 0.000 1.678 991 I CB 0.618 38.619 38.000 0.002 0.000 1.189 991 I HN 0.269 nan 8.210 nan 0.000 0.376 992 S N 0.412 116.099 115.700 -0.023 0.000 4.141 992 S HA -0.236 4.234 4.470 -0.000 0.000 0.443 992 S C 0.827 175.401 174.600 -0.043 0.000 1.849 992 S CA 2.020 60.201 58.200 -0.032 0.000 4.221 992 S CB -2.673 60.502 63.200 -0.042 0.000 0.370 992 S HN 1.196 nan 8.310 nan 0.000 0.455 993 T N 0.543 115.059 114.554 -0.063 0.000 2.851 993 T HA 0.557 4.907 4.350 -0.000 0.000 0.298 993 T C 0.349 175.014 174.700 -0.060 0.000 0.977 993 T CA 0.248 62.300 62.100 -0.079 0.000 1.126 993 T CB 1.568 70.368 68.868 -0.114 0.000 0.916 993 T HN 1.476 nan 8.240 nan 0.000 0.529 994 G N 0.242 109.012 108.800 -0.050 0.000 5.072 994 G HA2 0.600 4.560 3.960 -0.000 0.000 0.208 994 G HA3 0.600 4.560 3.960 -0.000 0.000 0.208 994 G C 0.071 174.970 174.900 -0.002 0.000 0.804 994 G CA 0.001 45.088 45.100 -0.022 0.000 0.619 994 G HN 1.139 nan 8.290 nan 0.000 0.427 995 A N -0.710 122.089 122.820 -0.034 0.000 1.461 995 A HA 0.540 4.860 4.320 -0.000 0.000 0.209 995 A C 2.059 179.535 177.584 -0.181 0.000 1.769 995 A CA 1.468 53.517 52.037 0.020 0.000 1.456 995 A CB -0.763 18.300 19.000 0.104 0.000 1.363 995 A HN 1.122 nan 8.150 nan 0.000 0.395 996 G N -0.188 108.325 108.800 -0.478 0.000 2.418 996 G HA2 0.186 4.146 3.960 -0.000 0.000 0.217 996 G HA3 0.186 4.146 3.960 -0.000 0.000 0.217 996 G C 0.777 175.348 174.900 -0.549 0.000 1.158 996 G CA 1.715 46.239 45.100 -0.961 0.000 0.771 996 G HN 1.148 nan 8.290 nan 0.000 0.545 997 S N -0.598 114.934 115.700 -0.281 0.000 2.746 997 S HA 0.515 4.985 4.470 -0.000 0.000 0.273 997 S C 1.065 175.650 174.600 -0.024 0.000 1.172 997 S CA 0.183 58.310 58.200 -0.122 0.000 1.116 997 S CB 0.949 64.093 63.200 -0.092 0.000 1.057 997 S HN 0.321 nan 8.310 nan 0.000 0.483 998 G N 2.640 111.458 108.800 0.030 0.000 2.650 998 G HA2 0.115 4.074 3.960 -0.000 0.000 0.214 998 G HA3 0.115 4.074 3.960 -0.000 0.000 0.214 998 G C 1.343 176.262 174.900 0.032 0.000 1.136 998 G CA 0.600 45.724 45.100 0.039 0.000 0.789 998 G HN 0.846 nan 8.290 nan 0.000 0.536 999 A N 0.324 123.156 122.820 0.021 0.000 2.066 999 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 999 A C 2.198 179.766 177.584 -0.026 0.000 1.157 999 A CA 1.418 53.389 52.037 -0.110 0.000 0.670 999 A CB -0.253 18.529 19.000 -0.364 0.000 0.804 999 A HN 0.423 nan 8.150 nan 0.000 0.453 1000 Q N -0.196 119.647 119.800 0.071 0.000 2.170 1000 Q HA -0.208 4.132 4.340 -0.000 0.000 0.203 1000 Q C 1.663 177.606 176.000 -0.095 0.000 0.976 1000 Q CA 1.775 57.503 55.803 -0.125 0.000 0.858 1000 Q CB -0.261 28.398 28.738 -0.132 0.000 0.907 1000 Q HN 0.859 nan 8.270 nan 0.000 0.433 1001 N N 0.172 118.854 118.700 -0.031 0.000 2.188 1001 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 1001 N C 1.665 177.202 175.510 0.045 0.000 1.018 1001 N CA 0.876 53.929 53.050 0.004 0.000 0.858 1001 N CB -0.082 38.415 38.487 0.016 0.000 0.989 1001 N HN 0.172 nan 8.380 nan 0.000 0.426 1002 A N 0.623 123.479 122.820 0.060 0.000 1.969 1002 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 1002 A C 2.287 180.018 177.584 0.246 0.000 1.169 1002 A CA 1.010 53.148 52.037 0.168 0.000 0.635 1002 A CB -0.521 18.632 19.000 0.255 0.000 0.810 1002 A HN 0.086 nan 8.150 nan 0.000 0.445 1003 V N -0.434 119.564 119.914 0.140 0.000 2.256 1003 V HA -0.067 4.053 4.120 -0.000 0.000 0.240 1003 V C 2.787 178.967 176.094 0.144 0.000 1.036 1003 V CA 1.893 64.303 62.300 0.182 0.000 1.008 1003 V CB -1.450 30.389 31.823 0.028 0.000 0.648 1003 V HN 0.540 nan 8.190 nan 0.000 0.453 1004 G N -0.895 107.931 108.800 0.044 0.000 2.559 1004 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 1004 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 1004 G C 1.574 176.537 174.900 0.105 0.000 1.126 1004 G CA 1.329 46.458 45.100 0.048 0.000 0.778 1004 G HN 0.475 nan 8.290 nan 0.000 0.543 1005 T N 0.501 115.135 114.554 0.133 0.000 2.857 1005 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 1005 T C 2.354 177.190 174.700 0.227 0.000 1.048 1005 T CA 1.143 63.334 62.100 0.151 0.000 1.139 1005 T CB -0.120 68.823 68.868 0.125 0.000 0.874 1005 T HN 0.313 nan 8.240 nan 0.000 0.455 1006 G N 0.447 109.451 108.800 0.341 0.000 2.920 1006 G HA2 0.154 4.114 3.960 -0.000 0.000 0.208 1006 G HA3 0.154 4.114 3.960 -0.000 0.000 0.208 1006 G C 1.271 176.327 174.900 0.259 0.000 1.159 1006 G CA 0.283 45.669 45.100 0.477 0.000 0.784 1006 G HN 0.472 nan 8.290 nan 0.000 0.535 1007 V N -0.703 119.340 119.914 0.215 0.000 2.908 1007 V HA 0.172 4.292 4.120 -0.000 0.000 0.240 1007 V C 2.461 178.666 176.094 0.184 0.000 1.117 1007 V CA 0.458 62.877 62.300 0.199 0.000 1.133 1007 V CB -0.343 31.660 31.823 0.299 0.000 0.857 1007 V HN 0.267 nan 8.190 nan 0.000 0.478 1008 M N 1.375 121.082 119.600 0.179 0.000 2.149 1008 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 1008 M C 2.013 178.376 176.300 0.103 0.000 1.064 1008 M CA 2.240 57.622 55.300 0.138 0.000 1.102 1008 M CB -0.411 32.255 32.600 0.110 0.000 1.369 1008 M HN 0.527 nan 8.290 nan 0.000 0.408 1009 G N -1.229 107.644 108.800 0.121 0.000 2.394 1009 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.215 1009 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.215 1009 G C 1.201 176.154 174.900 0.088 0.000 1.165 1009 G CA 0.705 45.870 45.100 0.108 0.000 0.784 1009 G HN 0.585 nan 8.290 nan 0.000 0.535 1010 G N -0.483 108.370 108.800 0.088 0.000 3.327 1010 G HA2 0.340 4.300 3.960 -0.000 0.000 0.240 1010 G HA3 0.340 4.300 3.960 -0.000 0.000 0.240 1010 G C 1.078 175.959 174.900 -0.031 0.000 1.222 1010 G CA -0.042 45.081 45.100 0.038 0.000 0.871 1010 G HN 0.247 nan 8.290 nan 0.000 0.525 1011 M N -0.834 118.749 119.600 -0.028 0.000 2.312 1011 M HA 0.172 4.652 4.480 -0.000 0.000 0.260 1011 M C 2.245 178.523 176.300 -0.036 0.000 1.253 1011 M CA 0.382 55.625 55.300 -0.094 0.000 1.114 1011 M CB 0.332 32.843 32.600 -0.149 0.000 1.660 1011 M HN 0.055 nan 8.290 nan 0.000 0.581 1012 V N 0.883 120.801 119.914 0.006 0.000 2.343 1012 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 1012 V C 1.808 177.919 176.094 0.028 0.000 1.051 1012 V CA 2.144 64.455 62.300 0.018 0.000 1.036 1012 V CB -0.826 31.013 31.823 0.027 0.000 0.654 1012 V HN 0.431 nan 8.190 nan 0.000 0.451 1013 T N -0.721 113.853 114.554 0.032 0.000 3.122 1013 T HA 0.358 4.708 4.350 -0.000 0.000 0.250 1013 T C 1.337 176.062 174.700 0.042 0.000 1.067 1013 T CA 0.700 62.830 62.100 0.050 0.000 0.966 1013 T CB 0.390 69.290 68.868 0.053 0.000 1.002 1013 T HN 0.464 nan 8.240 nan 0.000 0.542 1014 A N 1.161 123.986 122.820 0.008 0.000 2.343 1014 A HA 0.281 4.601 4.320 -0.000 0.000 0.223 1014 A C 2.089 179.665 177.584 -0.014 0.000 1.214 1014 A CA 0.560 52.589 52.037 -0.013 0.000 0.900 1014 A CB -0.089 18.870 19.000 -0.067 0.000 0.942 1014 A HN 0.488 nan 8.150 nan 0.000 0.507 1015 T N -3.654 110.899 114.554 -0.002 0.000 3.174 1015 T HA 0.144 4.494 4.350 -0.000 0.000 0.252 1015 T C 0.432 175.160 174.700 0.046 0.000 0.984 1015 T CA 0.542 62.644 62.100 0.004 0.000 1.113 1015 T CB -0.494 68.354 68.868 -0.034 0.000 1.088 1015 T HN -0.028 nan 8.240 nan 0.000 0.442 1016 V N 2.799 122.741 119.914 0.045 0.000 2.055 1016 V HA 0.485 4.605 4.120 -0.000 0.000 0.248 1016 V C 0.480 176.688 176.094 0.189 0.000 1.476 1016 V CA 0.315 62.662 62.300 0.078 0.000 1.417 1016 V CB -0.690 31.161 31.823 0.048 0.000 1.465 1016 V HN 0.476 nan 8.190 nan 0.000 0.502 1017 L N 1.967 123.340 121.223 0.250 0.000 1.230 1017 L HA 0.072 4.412 4.340 -0.000 0.000 0.076 1017 L C 1.881 178.913 176.870 0.269 0.000 1.446 1017 L CA 1.513 56.534 54.840 0.302 0.000 1.170 1017 L CB -0.929 41.256 42.059 0.210 0.000 2.400 1017 L HN 0.265 nan 8.230 nan 0.000 0.455 1018 A N -0.200 122.729 122.820 0.182 0.000 1.873 1018 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 1018 A C 1.751 179.439 177.584 0.173 0.000 1.186 1018 A CA 1.994 54.110 52.037 0.131 0.000 0.616 1018 A CB -0.516 18.513 19.000 0.048 0.000 0.823 1018 A HN 0.324 nan 8.150 nan 0.000 0.442 1019 I N -1.764 118.945 120.570 0.231 0.000 3.456 1019 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 1019 I C 0.241 176.818 176.117 0.766 0.000 1.307 1019 I CA 0.386 61.939 61.300 0.422 0.000 1.333 1019 I CB -0.569 37.586 38.000 0.258 0.000 1.032 1019 I HN 0.343 nan 8.210 nan 0.000 0.506 1020 F N -2.929 117.205 119.950 0.307 0.000 3.262 1020 F HA 0.168 4.695 4.527 -0.000 0.000 0.327 1020 F C 1.132 176.979 175.800 0.079 0.000 1.206 1020 F CA -1.090 56.956 58.000 0.077 0.000 0.930 1020 F CB 0.253 39.191 39.000 -0.103 0.000 1.513 1020 F HN -0.149 nan 8.300 nan 0.000 0.519 1021 F N 0.484 120.325 119.950 -0.181 0.000 2.282 1021 F HA -0.368 4.159 4.527 -0.000 0.000 0.265 1021 F C 0.796 176.423 175.800 -0.288 0.000 1.139 1021 F CA 1.573 59.373 58.000 -0.334 0.000 1.505 1021 F CB -1.392 37.562 39.000 -0.076 0.000 0.829 1021 F HN -0.018 nan 8.300 nan 0.000 0.496 1022 V N 0.845 120.864 119.914 0.176 0.000 2.617 1022 V HA 0.200 4.320 4.120 -0.000 0.000 0.298 1022 V C -1.399 174.784 176.094 0.147 0.000 1.048 1022 V CA -1.977 60.372 62.300 0.081 0.000 0.964 1022 V CB 1.454 33.383 31.823 0.177 0.000 1.004 1022 V HN -0.097 nan 8.190 nan 0.000 0.466 1023 P HA -0.233 nan 4.420 nan 0.000 0.296 1023 P C 0.569 177.973 177.300 0.175 0.000 1.937 1023 P CA 1.678 64.880 63.100 0.171 0.000 1.733 1023 P CB -0.049 31.672 31.700 0.035 0.000 0.296 1024 V N -4.126 115.814 119.914 0.045 0.000 4.935 1024 V HA -0.267 3.853 4.120 -0.000 0.000 0.273 1024 V C 0.794 176.652 176.094 -0.393 0.000 0.517 1024 V CA 1.918 64.125 62.300 -0.155 0.000 0.745 1024 V CB -2.975 28.715 31.823 -0.221 0.000 0.647 1024 V HN 0.545 nan 8.190 nan 0.000 1.220 1025 F N -4.451 115.578 119.950 0.132 0.000 1.693 1025 F HA 0.071 4.598 4.527 -0.000 0.000 0.278 1025 F C 1.411 177.223 175.800 0.019 0.000 1.207 1025 F CA 0.228 58.266 58.000 0.063 0.000 1.296 1025 F CB -0.519 38.499 39.000 0.030 0.000 1.903 1025 F HN 0.075 nan 8.300 nan 0.000 0.221 1026 F N 1.844 121.907 119.950 0.188 0.000 2.134 1026 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 1026 F C 2.439 178.278 175.800 0.065 0.000 1.097 1026 F CA 1.940 59.993 58.000 0.090 0.000 1.264 1026 F CB -0.808 38.224 39.000 0.053 0.000 1.001 1026 F HN -0.087 nan 8.300 nan 0.000 0.479 1027 V N -1.801 118.249 119.914 0.227 0.000 2.231 1027 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 1027 V C 2.115 178.294 176.094 0.142 0.000 1.054 1027 V CA 2.028 64.401 62.300 0.122 0.000 1.015 1027 V CB -1.738 30.123 31.823 0.064 0.000 0.638 1027 V HN 0.183 nan 8.190 nan 0.000 0.444 1028 V N 0.202 120.206 119.914 0.150 0.000 2.568 1028 V HA -0.193 3.927 4.120 -0.000 0.000 0.253 1028 V C 2.565 178.840 176.094 0.301 0.000 1.072 1028 V CA 1.831 64.240 62.300 0.181 0.000 1.084 1028 V CB -0.905 31.026 31.823 0.181 0.000 0.676 1028 V HN 0.456 nan 8.190 nan 0.000 0.469 1029 V N 1.507 121.574 119.914 0.255 0.000 2.244 1029 V HA -0.213 3.907 4.120 -0.000 0.000 0.244 1029 V C 2.496 178.767 176.094 0.294 0.000 1.042 1029 V CA 2.485 64.946 62.300 0.269 0.000 1.006 1029 V CB -0.707 31.134 31.823 0.030 0.000 0.641 1029 V HN 0.676 nan 8.190 nan 0.000 0.446 1030 R N -0.030 120.581 120.500 0.186 0.000 2.313 1030 R HA 0.119 4.459 4.340 -0.000 0.000 0.199 1030 R C 2.003 178.378 176.300 0.126 0.000 0.958 1030 R CA 0.405 56.593 56.100 0.146 0.000 1.047 1030 R CB -0.182 30.183 30.300 0.108 0.000 0.955 1030 R HN 0.376 nan 8.270 nan 0.000 0.481 1031 R N 0.114 120.699 120.500 0.140 0.000 2.087 1031 R HA 0.193 4.533 4.340 -0.000 0.000 0.213 1031 R C 1.908 178.268 176.300 0.100 0.000 1.137 1031 R CA 0.052 56.231 56.100 0.130 0.000 1.022 1031 R CB -0.279 30.122 30.300 0.169 0.000 0.920 1031 R HN 0.042 nan 8.270 nan 0.000 0.451 1032 R N 0.982 121.505 120.500 0.037 0.000 2.056 1032 R HA 0.093 4.433 4.340 -0.000 0.000 0.227 1032 R C 0.881 177.049 176.300 -0.219 0.000 1.149 1032 R CA 1.236 57.230 56.100 -0.176 0.000 0.937 1032 R CB -0.598 29.439 30.300 -0.439 0.000 0.835 1032 R HN -0.051 nan 8.270 nan 0.000 0.430 1033 F N 0.101 120.080 119.950 0.048 0.000 2.234 1033 F HA 0.086 4.613 4.527 -0.000 0.000 0.292 1033 F C 1.925 177.747 175.800 0.037 0.000 1.187 1033 F CA 0.638 58.660 58.000 0.036 0.000 1.128 1033 F CB 0.239 39.253 39.000 0.024 0.000 1.507 1033 F HN 0.331 nan 8.300 nan 0.000 0.512 1034 S N -1.264 114.586 115.700 0.250 0.000 2.105 1034 S HA -0.295 4.175 4.470 -0.000 0.000 0.242 1034 S C 0.642 175.300 174.600 0.097 0.000 1.128 1034 S CA 1.471 59.755 58.200 0.140 0.000 1.482 1034 S CB -1.145 62.128 63.200 0.121 0.000 1.865 1034 S HN 0.892 nan 8.310 nan 0.000 0.577 1035 R N 1.396 121.951 120.500 0.091 0.000 5.324 1035 R HA 0.589 4.929 4.340 -0.000 0.000 0.103 1035 R C 0.074 176.409 176.300 0.057 0.000 0.980 1035 R CA 0.450 56.590 56.100 0.066 0.000 0.877 1035 R CB -0.344 29.990 30.300 0.057 0.000 1.354 1035 R HN 0.723 nan 8.270 nan 0.000 0.391 1036 K N 0.000 120.430 120.400 0.050 0.000 2.780 1036 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1036 K CA 0.000 56.307 56.287 0.034 0.000 0.838 1036 K CB 0.000 32.529 32.500 0.049 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543