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 1t9x_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 YRQXSITIVS 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 YDWTGXSYQE 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 0.000 176.276 176.300 -0.040 0.000 2.045 7 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 7 D CB 0.000 40.812 40.800 0.020 0.000 0.688 8 R N 0.680 121.132 120.500 -0.081 0.000 2.732 8 R HA 0.584 4.924 4.340 -0.000 0.000 0.278 8 R C -1.819 174.408 176.300 -0.122 0.000 0.976 8 R CA -1.420 54.570 56.100 -0.183 0.000 0.963 8 R CB 1.544 31.587 30.300 -0.427 0.000 1.150 8 R HN 0.177 nan 8.270 nan 0.000 0.478 9 P HA -0.104 nan 4.420 nan 0.000 0.213 9 P C 1.378 178.700 177.300 0.036 0.000 1.176 9 P CA 0.965 64.039 63.100 -0.045 0.000 0.894 9 P CB -0.076 31.525 31.700 -0.165 0.000 0.771 10 I N -2.125 118.415 120.570 -0.050 0.000 2.208 10 I HA -0.218 3.951 4.170 -0.000 0.000 0.245 10 I C 2.365 178.696 176.117 0.357 0.000 1.097 10 I CA 1.764 63.134 61.300 0.116 0.000 1.363 10 I CB -2.258 35.797 38.000 0.092 0.000 1.051 10 I HN -0.131 nan 8.210 nan 0.000 0.413 11 F N 1.794 121.802 119.950 0.097 0.000 2.216 11 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 11 F C 2.823 178.693 175.800 0.115 0.000 1.085 11 F CA 0.751 58.805 58.000 0.090 0.000 1.326 11 F CB -0.290 38.747 39.000 0.062 0.000 1.027 11 F HN 0.226 nan 8.300 nan 0.000 0.497 12 A N -0.519 122.503 122.820 0.337 0.000 1.898 12 A HA -0.171 4.149 4.320 -0.000 0.000 0.214 12 A C 1.693 179.431 177.584 0.257 0.000 1.183 12 A CA 0.767 52.956 52.037 0.253 0.000 0.622 12 A CB -1.138 17.998 19.000 0.228 0.000 0.824 12 A HN 0.464 nan 8.150 nan 0.000 0.444 13 W N -0.155 121.197 121.300 0.088 0.000 2.421 13 W HA -0.049 4.611 4.660 -0.000 0.000 0.270 13 W C 2.084 178.645 176.519 0.070 0.000 1.233 13 W CA 1.396 58.783 57.345 0.070 0.000 1.226 13 W CB -0.222 29.276 29.460 0.063 0.000 1.121 13 W HN 0.149 nan 8.180 nan 0.000 0.579 14 V N -0.342 119.745 119.914 0.288 0.000 2.725 14 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 14 V C 2.080 178.240 176.094 0.111 0.000 1.058 14 V CA 0.923 63.333 62.300 0.184 0.000 1.080 14 V CB -0.483 31.440 31.823 0.166 0.000 0.713 14 V HN 0.032 nan 8.190 nan 0.000 0.465 15 I N 0.839 121.473 120.570 0.107 0.000 2.286 15 I HA -0.225 3.944 4.170 -0.000 0.000 0.248 15 I C 2.586 178.723 176.117 0.033 0.000 1.115 15 I CA 1.867 63.204 61.300 0.063 0.000 1.392 15 I CB -0.760 37.281 38.000 0.068 0.000 1.065 15 I HN 0.343 nan 8.210 nan 0.000 0.418 16 A N 0.497 123.325 122.820 0.014 0.000 1.968 16 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 16 A C 2.198 179.763 177.584 -0.031 0.000 1.169 16 A CA 0.903 52.913 52.037 -0.046 0.000 0.638 16 A CB -0.495 18.410 19.000 -0.159 0.000 0.812 16 A HN 0.378 nan 8.150 nan 0.000 0.446 17 I N -0.425 120.151 120.570 0.009 0.000 2.928 17 I HA -0.120 4.050 4.170 -0.000 0.000 0.266 17 I C 1.920 178.055 176.117 0.029 0.000 1.234 17 I CA 0.446 61.761 61.300 0.026 0.000 1.483 17 I CB -0.112 37.932 38.000 0.074 0.000 1.097 17 I HN 0.292 nan 8.210 nan 0.000 0.455 18 I N 0.719 121.306 120.570 0.028 0.000 2.179 18 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 18 I C 2.302 178.432 176.117 0.021 0.000 1.088 18 I CA 1.752 63.066 61.300 0.023 0.000 1.357 18 I CB -0.182 37.831 38.000 0.021 0.000 1.051 18 I HN 0.132 nan 8.210 nan 0.000 0.409 19 I N -0.244 120.336 120.570 0.017 0.000 2.546 19 I HA -0.244 3.926 4.170 -0.000 0.000 0.255 19 I C 2.420 178.554 176.117 0.029 0.000 1.163 19 I CA 0.731 62.044 61.300 0.023 0.000 1.457 19 I CB -0.227 37.781 38.000 0.013 0.000 1.092 19 I HN 0.222 nan 8.210 nan 0.000 0.434 20 M N 0.101 119.710 119.600 0.016 0.000 2.159 20 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 20 M C 2.026 178.342 176.300 0.026 0.000 1.063 20 M CA 1.784 57.095 55.300 0.018 0.000 1.110 20 M CB -0.748 31.857 32.600 0.009 0.000 1.374 20 M HN 0.228 nan 8.290 nan 0.000 0.411 21 L N -0.975 120.263 121.223 0.025 0.000 2.080 21 L HA 0.095 4.435 4.340 -0.000 0.000 0.209 21 L C 2.541 179.426 176.870 0.026 0.000 1.178 21 L CA 0.556 55.409 54.840 0.021 0.000 1.430 21 L CB -1.422 40.648 42.059 0.019 0.000 1.236 21 L HN 0.206 nan 8.230 nan 0.000 0.736 22 A N 0.679 123.512 122.820 0.023 0.000 1.698 22 A HA -0.384 3.936 4.320 -0.000 0.000 0.304 22 A C 2.121 179.734 177.584 0.047 0.000 3.354 22 A CA 3.090 55.143 52.037 0.027 0.000 0.884 22 A CB -2.109 16.906 19.000 0.024 0.000 0.798 22 A HN 0.761 nan 8.150 nan 0.000 0.543 23 G N -2.082 106.762 108.800 0.074 0.000 2.434 23 G HA2 0.097 4.057 3.960 -0.000 0.000 0.214 23 G HA3 0.097 4.057 3.960 -0.000 0.000 0.214 23 G C 1.723 176.691 174.900 0.113 0.000 1.202 23 G CA 1.356 46.541 45.100 0.143 0.000 0.788 23 G HN 1.267 nan 8.290 nan 0.000 0.539 24 G N 1.238 110.079 108.800 0.069 0.000 2.469 24 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 24 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 24 G C 1.723 176.600 174.900 -0.039 0.000 1.150 24 G CA 1.305 46.406 45.100 0.001 0.000 0.763 24 G HN 0.538 nan 8.290 nan 0.000 0.561 25 L N 0.773 121.988 121.223 -0.014 0.000 2.291 25 L HA 0.280 4.620 4.340 -0.000 0.000 0.214 25 L C 2.513 179.363 176.870 -0.032 0.000 1.120 25 L CA 2.324 57.150 54.840 -0.022 0.000 0.799 25 L CB -1.418 40.636 42.059 -0.008 0.000 0.925 25 L HN 0.241 nan 8.230 nan 0.000 0.446 26 A N 0.454 123.260 122.820 -0.024 0.000 1.930 26 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 26 A C 2.211 179.742 177.584 -0.089 0.000 1.175 26 A CA 1.615 53.636 52.037 -0.026 0.000 0.627 26 A CB -0.686 18.333 19.000 0.031 0.000 0.815 26 A HN 0.420 nan 8.150 nan 0.000 0.443 27 I N -0.620 119.842 120.570 -0.181 0.000 2.361 27 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 27 I C 0.999 177.025 176.117 -0.150 0.000 1.133 27 I CA 1.085 62.224 61.300 -0.268 0.000 1.413 27 I CB -0.073 37.684 38.000 -0.405 0.000 1.073 27 I HN 0.212 nan 8.210 nan 0.000 0.424 28 L N 0.001 121.164 121.223 -0.100 0.000 2.805 28 L HA 0.181 4.521 4.340 -0.000 0.000 0.237 28 L C 1.307 178.149 176.870 -0.046 0.000 1.252 28 L CA 0.482 55.283 54.840 -0.065 0.000 1.064 28 L CB -0.442 41.587 42.059 -0.050 0.000 1.361 28 L HN 0.055 nan 8.230 nan 0.000 0.474 29 K N 0.157 120.529 120.400 -0.047 0.000 2.582 29 K HA 0.211 4.531 4.320 -0.000 0.000 0.191 29 K C -0.504 176.084 176.600 -0.021 0.000 1.593 29 K CA -0.005 56.264 56.287 -0.029 0.000 1.040 29 K CB 0.994 33.480 32.500 -0.023 0.000 1.374 29 K HN 0.253 nan 8.250 nan 0.000 0.608 30 L N -0.087 121.121 121.223 -0.027 0.000 2.354 30 L HA 0.759 5.099 4.340 -0.000 0.000 0.264 30 L C -2.866 174.001 176.870 -0.006 0.000 1.008 30 L CA -1.857 52.979 54.840 -0.006 0.000 0.819 30 L CB 1.821 43.887 42.059 0.013 0.000 1.339 30 L HN -0.218 nan 8.230 nan 0.000 0.420 31 P HA 0.075 nan 4.420 nan 0.000 0.265 31 P C 0.902 178.208 177.300 0.009 0.000 1.222 31 P CA -0.398 62.711 63.100 0.014 0.000 0.767 31 P CB 0.920 32.638 31.700 0.031 0.000 0.801 32 V N 1.401 121.311 119.914 -0.007 0.000 3.078 32 V HA -0.062 4.058 4.120 -0.000 0.000 0.265 32 V C 1.274 177.365 176.094 -0.007 0.000 1.122 32 V CA 0.623 62.914 62.300 -0.016 0.000 1.141 32 V CB -1.887 29.919 31.823 -0.028 0.000 0.735 32 V HN 0.576 nan 8.190 nan 0.000 0.498 33 A N 0.754 123.579 122.820 0.009 0.000 2.645 33 A HA 0.032 4.352 4.320 -0.000 0.000 0.233 33 A C 0.942 178.522 177.584 -0.006 0.000 1.100 33 A CA 0.488 52.535 52.037 0.017 0.000 0.793 33 A CB -0.009 19.015 19.000 0.041 0.000 1.028 33 A HN 0.568 nan 8.150 nan 0.000 0.516 34 Q N -0.879 118.926 119.800 0.008 0.000 2.492 34 Q HA 0.134 4.474 4.340 -0.000 0.000 0.184 34 Q C -0.514 175.460 176.000 -0.044 0.000 1.126 34 Q CA 0.030 55.796 55.803 -0.062 0.000 1.196 34 Q CB -0.074 28.704 28.738 0.067 0.000 1.240 34 Q HN 0.624 nan 8.270 nan 0.000 0.651 35 Y N 1.264 121.584 120.300 0.033 0.000 3.121 35 Y HA -0.176 4.374 4.550 -0.000 0.000 0.357 35 Y C -1.518 174.397 175.900 0.025 0.000 1.250 35 Y CA -0.467 57.642 58.100 0.015 0.000 1.594 35 Y CB -0.868 37.601 38.460 0.016 0.000 1.145 35 Y HN 0.387 nan 8.280 nan 0.000 0.604 36 P HA 0.096 nan 4.420 nan 0.000 0.289 36 P C -0.454 176.908 177.300 0.103 0.000 1.299 36 P CA -0.631 62.535 63.100 0.110 0.000 0.766 36 P CB 0.540 32.291 31.700 0.085 0.000 1.226 37 T N 0.803 115.404 114.554 0.079 0.000 2.834 37 T HA 0.227 4.577 4.350 -0.000 0.000 0.298 37 T C 0.981 175.712 174.700 0.052 0.000 0.966 37 T CA 0.485 62.623 62.100 0.064 0.000 1.141 37 T CB -0.348 68.552 68.868 0.053 0.000 0.905 37 T HN 0.303 nan 8.240 nan 0.000 0.535 38 I N 0.788 121.388 120.570 0.049 0.000 4.881 38 I HA 0.431 4.601 4.170 -0.000 0.000 0.319 38 I C 1.015 177.157 176.117 0.043 0.000 1.205 38 I CA -0.550 60.775 61.300 0.042 0.000 1.368 38 I CB -0.833 37.194 38.000 0.046 0.000 1.484 38 I HN 0.507 nan 8.210 nan 0.000 0.486 39 A N 4.475 127.321 122.820 0.044 0.000 2.522 39 A HA 0.507 4.827 4.320 -0.000 0.000 0.256 39 A C -2.189 175.429 177.584 0.058 0.000 1.086 39 A CA -0.743 51.323 52.037 0.048 0.000 0.763 39 A CB -1.061 17.966 19.000 0.045 0.000 1.024 39 A HN 0.174 nan 8.150 nan 0.000 0.502 40 P HA 0.174 nan 4.420 nan 0.000 0.260 40 P C -2.533 174.818 177.300 0.085 0.000 1.185 40 P CA -0.590 62.554 63.100 0.074 0.000 0.763 40 P CB -0.192 31.554 31.700 0.076 0.000 0.776 41 P HA 0.342 nan 4.420 nan 0.000 0.275 41 P C -0.761 176.624 177.300 0.143 0.000 1.227 41 P CA -0.039 63.106 63.100 0.076 0.000 0.781 41 P CB 0.802 32.517 31.700 0.026 0.000 0.906 42 A N 2.301 125.205 122.820 0.140 0.000 2.515 42 A HA 0.714 5.034 4.320 -0.000 0.000 0.296 42 A C -1.014 176.672 177.584 0.169 0.000 1.094 42 A CA -0.619 51.554 52.037 0.226 0.000 0.718 42 A CB 1.236 20.324 19.000 0.147 0.000 1.307 42 A HN 0.302 nan 8.150 nan 0.000 0.408 43 V N 0.479 120.535 119.914 0.236 0.000 2.769 43 V HA 0.777 4.896 4.120 -0.000 0.000 0.312 43 V C -0.175 175.991 176.094 0.120 0.000 1.058 43 V CA -0.397 61.998 62.300 0.158 0.000 0.952 43 V CB 2.047 33.987 31.823 0.196 0.000 1.019 43 V HN 1.029 nan 8.190 nan 0.000 0.445 44 T N 2.235 116.840 114.554 0.085 0.000 2.937 44 T HA 0.657 5.007 4.350 -0.000 0.000 0.297 44 T C -0.591 174.142 174.700 0.054 0.000 0.991 44 T CA -0.344 61.797 62.100 0.069 0.000 0.990 44 T CB 1.027 69.936 68.868 0.068 0.000 0.991 44 T HN 0.376 nan 8.240 nan 0.000 0.440 45 I N 2.550 123.149 120.570 0.048 0.000 2.577 45 I HA 0.605 4.774 4.170 -0.000 0.000 0.300 45 I C 0.131 176.269 176.117 0.034 0.000 0.990 45 I CA -0.776 60.546 61.300 0.037 0.000 1.283 45 I CB 1.493 39.513 38.000 0.032 0.000 1.411 45 I HN 0.833 nan 8.210 nan 0.000 0.515 46 S N 3.035 118.751 115.700 0.026 0.000 2.461 46 S HA 0.694 5.164 4.470 -0.000 0.000 0.245 46 S C -0.670 173.941 174.600 0.018 0.000 1.039 46 S CA -0.855 57.359 58.200 0.023 0.000 1.077 46 S CB 1.136 64.347 63.200 0.018 0.000 1.171 46 S HN 0.837 nan 8.310 nan 0.000 0.433 47 A N 1.627 124.461 122.820 0.024 0.000 2.263 47 A HA 0.967 5.287 4.320 -0.000 0.000 0.318 47 A C 0.046 177.653 177.584 0.040 0.000 1.111 47 A CA -0.994 51.059 52.037 0.025 0.000 0.901 47 A CB 1.627 20.641 19.000 0.023 0.000 1.280 47 A HN 1.286 nan 8.150 nan 0.000 0.503 48 S N -0.833 114.899 115.700 0.054 0.000 2.706 48 S HA 0.404 4.873 4.470 -0.000 0.000 0.270 48 S C -1.794 172.901 174.600 0.160 0.000 1.163 48 S CA -0.313 57.940 58.200 0.088 0.000 1.042 48 S CB 0.396 63.629 63.200 0.055 0.000 1.079 48 S HN 0.615 nan 8.310 nan 0.000 0.474 49 Y N 7.087 127.408 120.300 0.036 0.000 2.595 49 Y HA 0.394 4.944 4.550 -0.000 0.000 0.336 49 Y C -2.266 173.669 175.900 0.057 0.000 0.996 49 Y CA -2.765 55.364 58.100 0.048 0.000 1.260 49 Y CB 1.027 39.510 38.460 0.038 0.000 1.108 49 Y HN 0.447 nan 8.280 nan 0.000 0.509 50 P HA 0.123 nan 4.420 nan 0.000 0.271 50 P C 0.631 177.983 177.300 0.085 0.000 1.233 50 P CA 1.298 64.502 63.100 0.174 0.000 0.764 50 P CB 1.350 33.191 31.700 0.235 0.000 0.825 51 G N 2.731 111.539 108.800 0.014 0.000 2.345 51 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 51 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 51 G C 0.413 175.231 174.900 -0.136 0.000 1.058 51 G CA 0.022 45.102 45.100 -0.034 0.000 0.632 51 G HN 0.839 nan 8.290 nan 0.000 0.508 52 A N 1.213 123.855 122.820 -0.295 0.000 2.520 52 A HA 0.507 4.827 4.320 -0.000 0.000 0.235 52 A C 0.630 178.118 177.584 -0.161 0.000 1.065 52 A CA 1.212 53.023 52.037 -0.378 0.000 0.764 52 A CB -0.149 18.451 19.000 -0.666 0.000 1.002 52 A HN 1.192 nan 8.150 nan 0.000 0.502 53 D N 0.684 121.006 120.400 -0.130 0.000 2.478 53 D HA 0.538 5.178 4.640 -0.000 0.000 0.274 53 D C 1.097 177.372 176.300 -0.042 0.000 1.234 53 D CA -0.027 53.934 54.000 -0.065 0.000 1.069 53 D CB 0.723 41.487 40.800 -0.060 0.000 1.113 53 D HN 0.409 nan 8.370 nan 0.000 0.571 54 A N -0.369 122.436 122.820 -0.025 0.000 1.898 54 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 54 A C 1.971 179.539 177.584 -0.027 0.000 1.181 54 A CA 1.356 53.381 52.037 -0.020 0.000 0.620 54 A CB -0.716 18.269 19.000 -0.024 0.000 0.819 54 A HN 0.463 nan 8.150 nan 0.000 0.442 55 K N -0.372 120.007 120.400 -0.036 0.000 2.217 55 K HA -0.003 4.317 4.320 -0.000 0.000 0.202 55 K C 1.970 178.565 176.600 -0.009 0.000 1.051 55 K CA 1.636 57.905 56.287 -0.031 0.000 0.952 55 K CB -0.502 31.979 32.500 -0.032 0.000 0.736 55 K HN 0.498 nan 8.250 nan 0.000 0.453 56 T N 0.333 114.878 114.554 -0.014 0.000 2.701 56 T HA -0.116 4.234 4.350 -0.000 0.000 0.263 56 T C 1.917 176.662 174.700 0.075 0.000 1.040 56 T CA 1.608 63.712 62.100 0.007 0.000 1.147 56 T CB -0.360 68.465 68.868 -0.073 0.000 0.865 56 T HN 0.157 nan 8.240 nan 0.000 0.426 57 V N 0.566 120.523 119.914 0.071 0.000 2.626 57 V HA -0.108 4.012 4.120 -0.000 0.000 0.252 57 V C 2.343 178.483 176.094 0.077 0.000 1.067 57 V CA 1.505 63.878 62.300 0.122 0.000 1.081 57 V CB -0.893 30.991 31.823 0.102 0.000 0.686 57 V HN 0.325 nan 8.190 nan 0.000 0.468 58 Q N 0.654 120.480 119.800 0.043 0.000 2.224 58 Q HA -0.177 4.163 4.340 -0.000 0.000 0.203 58 Q C 1.499 177.518 176.000 0.031 0.000 0.970 58 Q CA 2.027 57.847 55.803 0.028 0.000 0.865 58 Q CB 0.009 28.748 28.738 0.003 0.000 0.922 58 Q HN 0.915 nan 8.270 nan 0.000 0.445 59 D N -2.013 118.410 120.400 0.037 0.000 2.473 59 D HA 0.005 4.645 4.640 -0.000 0.000 0.230 59 D C 1.337 177.660 176.300 0.040 0.000 1.097 59 D CA 0.225 54.245 54.000 0.033 0.000 0.861 59 D CB 0.000 40.816 40.800 0.027 0.000 1.114 59 D HN 0.016 nan 8.370 nan 0.000 0.500 60 T N 0.278 114.870 114.554 0.062 0.000 3.054 60 T HA 0.081 4.431 4.350 -0.000 0.000 0.259 60 T C 1.673 176.394 174.700 0.035 0.000 1.092 60 T CA 0.641 62.778 62.100 0.062 0.000 1.121 60 T CB 0.310 69.252 68.868 0.124 0.000 0.912 60 T HN -0.050 nan 8.240 nan 0.000 0.489 61 V N -0.509 119.433 119.914 0.047 0.000 3.278 61 V HA 0.097 4.217 4.120 -0.000 0.000 0.215 61 V C 2.579 178.688 176.094 0.025 0.000 1.287 61 V CA 0.808 63.124 62.300 0.026 0.000 1.302 61 V CB -0.650 31.197 31.823 0.040 0.000 1.228 61 V HN 0.241 nan 8.190 nan 0.000 0.523 62 T N 0.399 114.974 114.554 0.035 0.000 2.607 62 T HA -0.275 4.075 4.350 -0.000 0.000 0.267 62 T C 1.874 176.586 174.700 0.019 0.000 1.049 62 T CA 2.094 64.211 62.100 0.028 0.000 1.162 62 T CB -0.310 68.578 68.868 0.032 0.000 0.863 62 T HN 0.385 nan 8.240 nan 0.000 0.424 63 Q N 0.146 119.958 119.800 0.020 0.000 2.167 63 Q HA -0.026 4.314 4.340 -0.000 0.000 0.202 63 Q C 2.630 178.636 176.000 0.009 0.000 0.970 63 Q CA 0.847 56.659 55.803 0.014 0.000 0.855 63 Q CB -0.322 28.425 28.738 0.016 0.000 0.911 63 Q HN 0.377 nan 8.270 nan 0.000 0.438 64 V N 0.953 120.873 119.914 0.009 0.000 2.343 64 V HA -0.249 3.870 4.120 -0.000 0.000 0.247 64 V C 2.086 178.180 176.094 0.001 0.000 1.051 64 V CA 1.524 63.827 62.300 0.004 0.000 1.036 64 V CB -0.347 31.477 31.823 0.001 0.000 0.654 64 V HN 0.301 nan 8.190 nan 0.000 0.451 65 I N -0.428 120.144 120.570 0.003 0.000 2.546 65 I HA -0.153 4.017 4.170 -0.000 0.000 0.255 65 I C 2.384 178.499 176.117 -0.002 0.000 1.163 65 I CA 1.220 62.521 61.300 0.001 0.000 1.457 65 I CB -0.271 37.732 38.000 0.005 0.000 1.092 65 I HN 0.338 nan 8.210 nan 0.000 0.434 66 E N 0.467 120.666 120.200 -0.003 0.000 2.216 66 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 66 E C 1.426 178.019 176.600 -0.011 0.000 0.988 66 E CA 0.570 56.964 56.400 -0.010 0.000 0.834 66 E CB 0.049 29.743 29.700 -0.009 0.000 0.772 66 E HN 0.558 nan 8.360 nan 0.000 0.479 67 Q N 0.286 120.083 119.800 -0.006 0.000 2.253 67 Q HA 0.061 4.401 4.340 -0.000 0.000 0.210 67 Q C 0.074 176.070 176.000 -0.005 0.000 0.907 67 Q CA 0.101 55.901 55.803 -0.005 0.000 0.948 67 Q CB 0.180 28.917 28.738 -0.002 0.000 1.033 67 Q HN 0.000 nan 8.270 nan 0.000 0.471 68 N N -0.073 118.623 118.700 -0.006 0.000 2.527 68 N HA 0.120 4.860 4.740 -0.000 0.000 0.279 68 N C -1.045 174.462 175.510 -0.004 0.000 1.571 68 N CA 0.108 53.155 53.050 -0.004 0.000 0.858 68 N CB 0.710 39.196 38.487 -0.002 0.000 1.422 68 N HN -0.031 nan 8.380 nan 0.000 0.491 69 M N 1.555 121.149 119.600 -0.010 0.000 3.062 69 M HA 0.358 4.838 4.480 -0.000 0.000 0.270 69 M C -1.192 175.096 176.300 -0.021 0.000 1.270 69 M CA -0.311 54.981 55.300 -0.014 0.000 0.702 69 M CB -0.703 31.882 32.600 -0.025 0.000 1.398 69 M HN 0.252 nan 8.290 nan 0.000 0.490 70 N N -1.767 116.927 118.700 -0.010 0.000 2.525 70 N HA 0.654 5.394 4.740 -0.000 0.000 0.270 70 N C 0.308 175.819 175.510 0.001 0.000 1.321 70 N CA 0.115 53.158 53.050 -0.011 0.000 0.797 70 N CB 1.222 39.701 38.487 -0.013 0.000 1.529 70 N HN 0.272 nan 8.380 nan 0.000 0.491 71 G N 0.056 108.857 108.800 0.002 0.000 2.248 71 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.263 71 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.263 71 G C -0.735 174.179 174.900 0.023 0.000 1.082 71 G CA 0.173 45.279 45.100 0.010 0.000 0.863 71 G HN 0.625 nan 8.290 nan 0.000 0.495 72 I N 0.543 121.131 120.570 0.030 0.000 2.410 72 I HA 0.226 4.396 4.170 -0.000 0.000 0.286 72 I C -0.542 175.626 176.117 0.085 0.000 1.009 72 I CA -1.082 60.260 61.300 0.069 0.000 1.111 72 I CB 1.415 39.467 38.000 0.087 0.000 1.262 72 I HN -0.104 nan 8.210 nan 0.000 0.443 73 D N 6.396 126.853 120.400 0.094 0.000 2.487 73 D HA 0.061 4.701 4.640 -0.000 0.000 0.243 73 D C -0.093 176.301 176.300 0.157 0.000 1.154 73 D CA 0.978 55.032 54.000 0.090 0.000 0.876 73 D CB 0.079 40.916 40.800 0.063 0.000 1.161 73 D HN 0.558 nan 8.370 nan 0.000 0.478 74 N N 0.673 119.437 118.700 0.106 0.000 4.004 74 N HA -0.186 4.554 4.740 -0.000 0.000 0.308 74 N C -1.388 174.154 175.510 0.052 0.000 2.168 74 N CA -0.068 53.054 53.050 0.119 0.000 2.861 74 N CB -0.301 38.303 38.487 0.195 0.000 0.389 74 N HN 0.265 nan 8.380 nan 0.000 0.708 75 L N 2.304 123.473 121.223 -0.090 0.000 2.795 75 L HA 0.289 4.629 4.340 -0.000 0.000 0.260 75 L C 0.223 176.961 176.870 -0.218 0.000 0.935 75 L CA -0.290 54.374 54.840 -0.292 0.000 0.985 75 L CB 1.734 43.620 42.059 -0.288 0.000 1.433 75 L HN 0.696 nan 8.230 nan 0.000 0.447 76 M N 3.178 122.592 119.600 -0.310 0.000 2.191 76 M HA 0.156 4.636 4.480 -0.000 0.000 0.262 76 M C -0.495 175.764 176.300 -0.069 0.000 1.083 76 M CA 1.562 56.760 55.300 -0.171 0.000 1.154 76 M CB 0.104 32.571 32.600 -0.222 0.000 1.344 76 M HN 0.569 nan 8.290 nan 0.000 0.431 77 Y N -2.615 117.591 120.300 -0.156 0.000 2.788 77 Y HA 0.677 5.227 4.550 -0.000 0.000 0.335 77 Y C -1.181 174.528 175.900 -0.318 0.000 1.287 77 Y CA -2.394 55.558 58.100 -0.245 0.000 1.068 77 Y CB 0.952 39.303 38.460 -0.181 0.000 1.340 77 Y HN -0.000 nan 8.280 nan 0.000 0.449 78 M N 2.871 122.359 119.600 -0.188 0.000 2.271 78 M HA 0.696 5.175 4.480 -0.000 0.000 0.285 78 M C -1.506 174.671 176.300 -0.205 0.000 1.059 78 M CA -0.324 54.876 55.300 -0.167 0.000 0.940 78 M CB 1.960 34.452 32.600 -0.181 0.000 1.636 78 M HN 0.982 nan 8.290 nan 0.000 0.460 79 S N 2.890 118.584 115.700 -0.010 0.000 2.767 79 S HA 0.944 5.414 4.470 -0.000 0.000 0.300 79 S C -0.486 174.143 174.600 0.049 0.000 1.123 79 S CA -0.477 57.756 58.200 0.054 0.000 0.992 79 S CB 1.912 65.210 63.200 0.163 0.000 1.138 79 S HN 0.948 nan 8.310 nan 0.000 0.550 80 S N 0.248 115.992 115.700 0.074 0.000 2.552 80 S HA 0.564 5.034 4.470 -0.000 0.000 0.272 80 S C -2.289 172.352 174.600 0.069 0.000 1.150 80 S CA -0.833 57.403 58.200 0.060 0.000 0.849 80 S CB 1.026 64.251 63.200 0.041 0.000 1.113 80 S HN 0.772 nan 8.310 nan 0.000 0.458 81 N N 1.128 119.866 118.700 0.062 0.000 2.229 81 N HA 0.688 5.428 4.740 -0.000 0.000 0.298 81 N C -1.796 173.744 175.510 0.051 0.000 1.114 81 N CA -0.581 52.506 53.050 0.062 0.000 0.776 81 N CB 2.142 40.671 38.487 0.071 0.000 1.501 81 N HN 0.677 nan 8.380 nan 0.000 0.474 82 S N 0.163 115.889 115.700 0.044 0.000 2.720 82 S HA 0.418 4.888 4.470 -0.000 0.000 0.278 82 S C -1.281 173.337 174.600 0.030 0.000 1.172 82 S CA -0.976 57.245 58.200 0.036 0.000 1.019 82 S CB 1.986 65.202 63.200 0.026 0.000 1.049 82 S HN 0.328 nan 8.310 nan 0.000 0.483 83 D N 1.358 121.779 120.400 0.034 0.000 2.326 83 D HA 0.386 5.026 4.640 -0.000 0.000 0.248 83 D C 1.058 177.371 176.300 0.023 0.000 1.001 83 D CA -0.412 53.608 54.000 0.034 0.000 0.961 83 D CB 2.151 42.976 40.800 0.041 0.000 1.183 83 D HN 0.528 nan 8.370 nan 0.000 0.502 84 S N -0.602 115.113 115.700 0.024 0.000 2.489 84 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 84 S C 1.525 176.133 174.600 0.013 0.000 0.995 84 S CA 0.802 59.011 58.200 0.015 0.000 0.934 84 S CB -0.114 63.102 63.200 0.027 0.000 0.771 84 S HN 0.429 nan 8.310 nan 0.000 0.522 85 T N 1.463 116.031 114.554 0.023 0.000 2.962 85 T HA 0.303 4.653 4.350 -0.000 0.000 0.270 85 T C 1.190 175.901 174.700 0.018 0.000 1.088 85 T CA 0.948 63.062 62.100 0.023 0.000 1.127 85 T CB -0.718 68.165 68.868 0.025 0.000 0.883 85 T HN 1.043 nan 8.240 nan 0.000 0.493 86 G N 2.292 111.104 108.800 0.020 0.000 2.683 86 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.234 86 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.234 86 G C -0.079 174.862 174.900 0.068 0.000 1.135 86 G CA -0.338 44.783 45.100 0.035 0.000 0.975 86 G HN 0.736 nan 8.290 nan 0.000 0.511 87 T N -3.009 111.579 114.554 0.057 0.000 2.993 87 T HA 0.745 5.095 4.350 -0.000 0.000 0.312 87 T C -0.624 174.106 174.700 0.051 0.000 1.115 87 T CA -0.276 61.854 62.100 0.051 0.000 1.027 87 T CB 2.595 71.479 68.868 0.027 0.000 1.116 87 T HN 1.687 nan 8.240 nan 0.000 0.464 88 V N 1.906 121.851 119.914 0.051 0.000 2.735 88 V HA 0.856 4.975 4.120 -0.000 0.000 0.310 88 V C -1.638 174.482 176.094 0.043 0.000 1.061 88 V CA -0.571 61.758 62.300 0.049 0.000 0.913 88 V CB 1.940 33.794 31.823 0.051 0.000 1.005 88 V HN 1.182 nan 8.190 nan 0.000 0.428 89 Q N 4.789 124.618 119.800 0.047 0.000 2.334 89 Q HA 0.543 4.883 4.340 -0.000 0.000 0.249 89 Q C -2.130 173.902 176.000 0.053 0.000 0.909 89 Q CA -0.521 55.311 55.803 0.049 0.000 0.823 89 Q CB 1.716 30.487 28.738 0.055 0.000 1.353 89 Q HN 0.781 nan 8.270 nan 0.000 0.433 90 I N 2.052 122.650 120.570 0.046 0.000 2.577 90 I HA 0.475 4.645 4.170 -0.000 0.000 0.305 90 I C -0.145 176.002 176.117 0.049 0.000 0.986 90 I CA -0.201 61.124 61.300 0.041 0.000 1.189 90 I CB 2.326 40.340 38.000 0.023 0.000 1.355 90 I HN 0.526 nan 8.210 nan 0.000 0.476 91 T N 6.123 120.707 114.554 0.050 0.000 2.906 91 T HA 0.510 4.860 4.350 -0.000 0.000 0.302 91 T C -0.545 174.154 174.700 -0.003 0.000 1.002 91 T CA -0.383 61.750 62.100 0.056 0.000 0.988 91 T CB 0.420 69.348 68.868 0.100 0.000 0.972 91 T HN 0.140 nan 8.240 nan 0.000 0.447 92 L N 3.892 125.085 121.223 -0.051 0.000 2.282 92 L HA 0.345 4.685 4.340 -0.000 0.000 0.287 92 L C 0.786 177.437 176.870 -0.366 0.000 1.075 92 L CA -0.182 54.504 54.840 -0.257 0.000 0.839 92 L CB 0.344 42.241 42.059 -0.271 0.000 1.219 92 L HN 0.548 nan 8.230 nan 0.000 0.434 93 T N 3.214 117.464 114.554 -0.506 0.000 2.817 93 T HA 0.501 4.851 4.350 -0.000 0.000 0.293 93 T C 0.024 174.365 174.700 -0.599 0.000 0.964 93 T CA -0.111 61.722 62.100 -0.445 0.000 1.085 93 T CB 0.417 68.939 68.868 -0.577 0.000 0.921 93 T HN 0.034 nan 8.240 nan 0.000 0.502 94 F N 0.822 120.660 119.950 -0.188 0.000 2.452 94 F HA 0.473 5.000 4.527 -0.000 0.000 0.353 94 F C 1.143 176.887 175.800 -0.094 0.000 1.089 94 F CA -1.302 56.620 58.000 -0.130 0.000 1.080 94 F CB 0.574 39.529 39.000 -0.075 0.000 1.399 94 F HN 0.345 nan 8.300 nan 0.000 0.492 95 E N -0.464 119.831 120.200 0.158 0.000 2.397 95 E HA 0.073 4.423 4.350 -0.000 0.000 0.254 95 E C -0.364 176.290 176.600 0.090 0.000 1.231 95 E CA -0.298 56.155 56.400 0.088 0.000 0.954 95 E CB 0.254 30.000 29.700 0.075 0.000 1.024 95 E HN 0.342 nan 8.360 nan 0.000 0.481 96 S N -0.513 115.232 115.700 0.074 0.000 2.510 96 S HA 0.372 4.842 4.470 -0.000 0.000 0.279 96 S C 0.933 175.576 174.600 0.071 0.000 1.284 96 S CA 0.566 58.810 58.200 0.073 0.000 1.059 96 S CB -0.302 62.945 63.200 0.079 0.000 0.901 96 S HN 0.704 nan 8.310 nan 0.000 0.491 97 G N 3.723 112.558 108.800 0.058 0.000 2.153 97 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.252 97 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.252 97 G C 0.187 175.105 174.900 0.030 0.000 0.994 97 G CA 0.372 45.501 45.100 0.047 0.000 0.698 97 G HN 0.879 nan 8.290 nan 0.000 0.521 98 T N 0.864 115.433 114.554 0.025 0.000 2.919 98 T HA 0.300 4.650 4.350 -0.000 0.000 0.302 98 T C 0.278 174.940 174.700 -0.064 0.000 1.031 98 T CA -0.040 62.054 62.100 -0.010 0.000 1.127 98 T CB 1.349 70.224 68.868 0.010 0.000 0.952 98 T HN 0.256 nan 8.240 nan 0.000 0.540 99 D N 1.733 122.082 120.400 -0.085 0.000 2.342 99 D HA 0.203 4.843 4.640 -0.000 0.000 0.260 99 D C 0.751 176.949 176.300 -0.170 0.000 1.278 99 D CA -0.240 53.702 54.000 -0.096 0.000 0.910 99 D CB 0.781 41.537 40.800 -0.072 0.000 1.079 99 D HN 0.644 nan 8.370 nan 0.000 0.496 100 A N 3.860 126.593 122.820 -0.146 0.000 2.208 100 A HA -0.068 4.252 4.320 -0.000 0.000 0.209 100 A C 1.626 179.124 177.584 -0.143 0.000 1.161 100 A CA 0.389 52.316 52.037 -0.183 0.000 0.782 100 A CB 0.230 19.165 19.000 -0.109 0.000 0.816 100 A HN 0.562 nan 8.150 nan 0.000 0.477 101 D N -0.613 119.725 120.400 -0.103 0.000 2.347 101 D HA -0.027 4.613 4.640 -0.000 0.000 0.215 101 D C 1.469 177.719 176.300 -0.083 0.000 0.976 101 D CA 1.277 55.232 54.000 -0.074 0.000 0.884 101 D CB 0.321 41.092 40.800 -0.049 0.000 0.915 101 D HN 0.635 nan 8.370 nan 0.000 0.526 102 I N -1.660 118.840 120.570 -0.118 0.000 4.124 102 I HA 0.209 4.379 4.170 -0.000 0.000 0.311 102 I C 1.891 177.917 176.117 -0.152 0.000 1.259 102 I CA 0.269 61.505 61.300 -0.106 0.000 1.315 102 I CB 0.158 38.109 38.000 -0.083 0.000 1.223 102 I HN -0.208 nan 8.210 nan 0.000 0.441 103 A N 0.172 122.817 122.820 -0.292 0.000 2.070 103 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 103 A C 2.099 179.531 177.584 -0.252 0.000 1.159 103 A CA 1.418 53.162 52.037 -0.488 0.000 0.656 103 A CB -0.735 17.471 19.000 -1.324 0.000 0.800 103 A HN 0.627 nan 8.150 nan 0.000 0.453 104 Q N -0.006 119.694 119.800 -0.167 0.000 2.247 104 Q HA 0.281 4.621 4.340 -0.000 0.000 0.234 104 Q C 0.130 176.111 176.000 -0.031 0.000 0.899 104 Q CA 0.154 55.919 55.803 -0.063 0.000 0.951 104 Q CB 0.018 28.723 28.738 -0.055 0.000 1.057 104 Q HN 0.424 nan 8.270 nan 0.000 0.444 105 V N -1.272 118.625 119.914 -0.028 0.000 3.474 105 V HA -0.111 4.009 4.120 -0.000 0.000 0.195 105 V C 1.776 177.873 176.094 0.005 0.000 1.431 105 V CA 0.082 62.374 62.300 -0.012 0.000 1.268 105 V CB 0.177 31.987 31.823 -0.023 0.000 1.195 105 V HN 0.239 nan 8.190 nan 0.000 0.542 106 Q N 0.322 120.126 119.800 0.007 0.000 2.152 106 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 106 Q C 2.182 178.217 176.000 0.057 0.000 0.985 106 Q CA 2.087 57.911 55.803 0.034 0.000 0.863 106 Q CB -0.228 28.540 28.738 0.050 0.000 0.904 106 Q HN 0.543 nan 8.270 nan 0.000 0.422 107 V N 1.146 121.109 119.914 0.082 0.000 2.323 107 V HA -0.244 3.875 4.120 -0.000 0.000 0.244 107 V C 2.184 178.308 176.094 0.049 0.000 1.041 107 V CA 2.062 64.416 62.300 0.089 0.000 1.025 107 V CB -0.422 31.488 31.823 0.145 0.000 0.656 107 V HN 0.478 nan 8.190 nan 0.000 0.451 108 Q N 0.543 120.364 119.800 0.036 0.000 2.415 108 Q HA 0.281 4.620 4.340 -0.000 0.000 0.206 108 Q C 0.544 176.553 176.000 0.014 0.000 0.946 108 Q CA 0.973 56.790 55.803 0.022 0.000 0.951 108 Q CB 0.123 28.871 28.738 0.016 0.000 1.026 108 Q HN 0.476 nan 8.270 nan 0.000 0.510 109 A N -0.014 122.815 122.820 0.015 0.000 3.308 109 A HA 0.596 4.916 4.320 -0.000 0.000 0.275 109 A C 0.090 177.680 177.584 0.011 0.000 0.950 109 A CA -0.437 51.606 52.037 0.010 0.000 0.987 109 A CB 0.417 19.422 19.000 0.007 0.000 1.146 109 A HN 0.177 nan 8.150 nan 0.000 0.488 110 K N -0.856 119.551 120.400 0.012 0.000 2.623 110 K HA 0.093 4.413 4.320 -0.000 0.000 0.162 110 K C 1.137 177.742 176.600 0.009 0.000 2.231 110 K CA 0.628 56.922 56.287 0.012 0.000 1.364 110 K CB -0.773 31.738 32.500 0.018 0.000 2.500 110 K HN 0.298 nan 8.250 nan 0.000 0.525 111 L N 1.599 122.828 121.223 0.011 0.000 2.043 111 L HA -0.181 4.158 4.340 -0.000 0.000 0.212 111 L C 1.905 178.778 176.870 0.004 0.000 1.075 111 L CA 1.947 56.792 54.840 0.008 0.000 0.752 111 L CB -0.139 41.927 42.059 0.012 0.000 0.891 111 L HN 0.435 nan 8.230 nan 0.000 0.432 112 Q N -0.080 119.723 119.800 0.004 0.000 2.364 112 Q HA -0.156 4.184 4.340 -0.000 0.000 0.207 112 Q C 2.050 178.049 176.000 -0.001 0.000 0.970 112 Q CA 1.168 56.971 55.803 0.001 0.000 0.888 112 Q CB -0.052 28.688 28.738 0.002 0.000 0.951 112 Q HN 0.698 nan 8.270 nan 0.000 0.469 113 L N -1.748 119.475 121.223 -0.000 0.000 2.554 113 L HA 0.120 4.459 4.340 -0.000 0.000 0.226 113 L C 1.702 178.570 176.870 -0.003 0.000 1.137 113 L CA 0.574 55.413 54.840 -0.002 0.000 0.863 113 L CB -0.097 41.962 42.059 -0.000 0.000 0.985 113 L HN -0.035 nan 8.230 nan 0.000 0.451 114 A N -1.209 121.609 122.820 -0.004 0.000 2.470 114 A HA 0.273 4.593 4.320 -0.000 0.000 0.251 114 A C 2.084 179.662 177.584 -0.010 0.000 1.245 114 A CA -0.213 51.820 52.037 -0.006 0.000 0.932 114 A CB 0.036 19.034 19.000 -0.004 0.000 1.037 114 A HN 0.123 nan 8.150 nan 0.000 0.522 115 M N 0.316 119.910 119.600 -0.010 0.000 2.132 115 M HA -0.037 4.443 4.480 -0.000 0.000 0.263 115 M C -0.895 175.393 176.300 -0.021 0.000 1.065 115 M CA 1.490 56.781 55.300 -0.015 0.000 1.122 115 M CB -1.858 30.736 32.600 -0.011 0.000 1.365 115 M HN 0.124 nan 8.290 nan 0.000 0.411 116 P HA -0.015 nan 4.420 nan 0.000 0.230 116 P C 0.975 178.263 177.300 -0.020 0.000 1.158 116 P CA 0.860 63.950 63.100 -0.018 0.000 0.769 116 P CB -0.139 31.553 31.700 -0.013 0.000 0.807 117 L N -1.581 119.631 121.223 -0.019 0.000 2.653 117 L HA 0.224 4.563 4.340 -0.000 0.000 0.232 117 L C 0.603 177.457 176.870 -0.026 0.000 1.169 117 L CA 0.167 54.997 54.840 -0.018 0.000 0.951 117 L CB -0.569 41.483 42.059 -0.011 0.000 1.181 117 L HN 0.006 nan 8.230 nan 0.000 0.460 118 L N -0.210 120.989 121.223 -0.041 0.000 2.304 118 L HA 0.551 4.890 4.340 -0.000 0.000 0.268 118 L C -2.193 174.619 176.870 -0.097 0.000 1.010 118 L CA -2.084 52.715 54.840 -0.068 0.000 0.813 118 L CB 0.990 43.003 42.059 -0.077 0.000 1.315 118 L HN -0.161 nan 8.230 nan 0.000 0.445 119 P HA 0.032 nan 4.420 nan 0.000 0.269 119 P C -0.201 176.989 177.300 -0.183 0.000 1.209 119 P CA -0.356 62.621 63.100 -0.204 0.000 0.776 119 P CB 0.447 31.879 31.700 -0.446 0.000 0.876 120 Q N 0.950 120.684 119.800 -0.109 0.000 2.234 120 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 120 Q C 1.048 177.006 176.000 -0.070 0.000 0.980 120 Q CA 1.532 57.292 55.803 -0.071 0.000 0.869 120 Q CB -0.497 28.217 28.738 -0.039 0.000 0.912 120 Q HN 0.361 nan 8.270 nan 0.000 0.436 121 E N 0.947 121.080 120.200 -0.111 0.000 2.077 121 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 121 E C 2.002 178.559 176.600 -0.071 0.000 0.989 121 E CA 1.318 57.688 56.400 -0.051 0.000 0.800 121 E CB -0.194 29.508 29.700 0.003 0.000 0.746 121 E HN 0.188 nan 8.360 nan 0.000 0.452 122 V N 0.486 120.261 119.914 -0.232 0.000 2.548 122 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 122 V C 2.122 178.184 176.094 -0.052 0.000 1.055 122 V CA 1.628 63.843 62.300 -0.142 0.000 1.065 122 V CB -0.290 31.405 31.823 -0.212 0.000 0.681 122 V HN 0.277 nan 8.190 nan 0.000 0.462 123 Q N -0.071 119.698 119.800 -0.052 0.000 2.050 123 Q HA -0.279 4.060 4.340 -0.000 0.000 0.202 123 Q C 2.278 178.294 176.000 0.026 0.000 0.980 123 Q CA 2.100 57.894 55.803 -0.016 0.000 0.840 123 Q CB -0.125 28.599 28.738 -0.023 0.000 0.898 123 Q HN 0.857 nan 8.270 nan 0.000 0.424 124 Q N -0.408 119.429 119.800 0.061 0.000 2.435 124 Q HA -0.023 4.317 4.340 -0.000 0.000 0.207 124 Q C 0.527 176.633 176.000 0.176 0.000 0.956 124 Q CA 0.334 56.229 55.803 0.153 0.000 0.917 124 Q CB 0.184 29.041 28.738 0.199 0.000 0.997 124 Q HN 0.058 nan 8.270 nan 0.000 0.497 125 Q N 1.056 120.913 119.800 0.094 0.000 2.237 125 Q HA 0.434 4.774 4.340 -0.000 0.000 0.219 125 Q C -0.283 175.724 176.000 0.012 0.000 0.999 125 Q CA -0.104 55.719 55.803 0.033 0.000 0.959 125 Q CB 0.939 29.707 28.738 0.051 0.000 1.173 125 Q HN 0.339 nan 8.270 nan 0.000 0.527 126 G N 0.354 109.150 108.800 -0.006 0.000 2.530 126 G HA2 0.431 4.391 3.960 -0.000 0.000 0.313 126 G HA3 0.431 4.391 3.960 -0.000 0.000 0.313 126 G C -0.618 174.282 174.900 -0.000 0.000 0.971 126 G CA -0.337 44.758 45.100 -0.007 0.000 1.237 126 G HN 0.295 nan 8.290 nan 0.000 0.446 127 V N 1.866 121.782 119.914 0.002 0.000 2.732 127 V HA 0.652 4.772 4.120 -0.000 0.000 0.297 127 V C 0.578 176.674 176.094 0.004 0.000 1.060 127 V CA -0.237 62.066 62.300 0.004 0.000 1.038 127 V CB 1.462 33.286 31.823 0.002 0.000 1.003 127 V HN 0.651 nan 8.190 nan 0.000 0.481 128 S N 1.752 117.457 115.700 0.008 0.000 2.537 128 S HA 0.664 5.134 4.470 -0.000 0.000 0.270 128 S C -1.138 173.472 174.600 0.016 0.000 1.142 128 S CA -0.488 57.718 58.200 0.009 0.000 0.870 128 S CB 2.088 65.291 63.200 0.006 0.000 1.112 128 S HN 0.469 nan 8.310 nan 0.000 0.466 129 V N 3.409 123.333 119.914 0.017 0.000 2.398 129 V HA 0.476 4.596 4.120 -0.000 0.000 0.282 129 V C -0.496 175.612 176.094 0.022 0.000 1.014 129 V CA -0.551 61.764 62.300 0.025 0.000 0.838 129 V CB 1.208 33.047 31.823 0.025 0.000 1.018 129 V HN 0.883 nan 8.190 nan 0.000 0.432 130 E N 2.738 122.955 120.200 0.028 0.000 2.393 130 E HA 0.666 5.016 4.350 -0.000 0.000 0.265 130 E C -1.211 175.409 176.600 0.033 0.000 0.941 130 E CA -1.308 55.108 56.400 0.026 0.000 0.801 130 E CB 2.334 32.050 29.700 0.027 0.000 1.313 130 E HN 0.388 nan 8.360 nan 0.000 0.435 131 K N 0.913 121.331 120.400 0.029 0.000 2.240 131 K HA 0.311 4.631 4.320 -0.000 0.000 0.271 131 K C -0.590 176.037 176.600 0.045 0.000 1.018 131 K CA -0.310 55.996 56.287 0.032 0.000 0.874 131 K CB 1.641 34.151 32.500 0.016 0.000 1.098 131 K HN 0.347 nan 8.250 nan 0.000 0.458 132 S N 1.369 117.101 115.700 0.055 0.000 2.690 132 S HA 0.480 4.950 4.470 -0.000 0.000 0.291 132 S C -0.243 174.389 174.600 0.053 0.000 1.138 132 S CA -0.510 57.725 58.200 0.059 0.000 1.013 132 S CB 0.997 64.239 63.200 0.069 0.000 1.053 132 S HN 0.426 nan 8.310 nan 0.000 0.539 133 S N 1.646 117.372 115.700 0.044 0.000 2.686 133 S HA 0.226 4.696 4.470 -0.000 0.000 0.223 133 S C -0.393 174.203 174.600 -0.006 0.000 0.885 133 S CA -0.538 57.680 58.200 0.030 0.000 1.115 133 S CB 0.188 63.412 63.200 0.041 0.000 1.459 133 S HN 0.757 nan 8.310 nan 0.000 0.444 134 S N 2.868 118.564 115.700 -0.006 0.000 3.425 134 S HA -0.026 4.444 4.470 -0.000 0.000 0.146 134 S C 0.253 174.744 174.600 -0.181 0.000 0.347 134 S CA 1.052 59.219 58.200 -0.055 0.000 1.403 134 S CB -0.913 62.259 63.200 -0.048 0.000 0.835 134 S HN 0.962 nan 8.310 nan 0.000 0.245 135 S N 0.535 116.099 115.700 -0.226 0.000 2.769 135 S HA 0.454 4.924 4.470 -0.000 0.000 0.283 135 S C -0.898 173.541 174.600 -0.268 0.000 0.936 135 S CA -1.011 57.012 58.200 -0.296 0.000 0.893 135 S CB 0.026 63.155 63.200 -0.118 0.000 1.125 135 S HN 0.225 nan 8.310 nan 0.000 0.464 136 F N 2.328 122.369 119.950 0.152 0.000 2.461 136 F HA 0.731 5.258 4.527 -0.000 0.000 0.337 136 F C 1.288 177.206 175.800 0.197 0.000 1.079 136 F CA -0.502 57.564 58.000 0.111 0.000 1.032 136 F CB 0.951 39.915 39.000 -0.060 0.000 1.327 136 F HN 0.679 nan 8.300 nan 0.000 0.491 137 L N -1.565 119.899 121.223 0.400 0.000 3.358 137 L HA 0.426 4.765 4.340 -0.000 0.000 0.169 137 L C -0.002 177.030 176.870 0.270 0.000 1.158 137 L CA -0.660 54.364 54.840 0.307 0.000 0.861 137 L CB -0.093 42.086 42.059 0.199 0.000 1.597 137 L HN 0.279 nan 8.230 nan 0.000 0.580 138 M N 2.781 122.493 119.600 0.187 0.000 2.162 138 M HA 0.363 4.843 4.480 -0.000 0.000 0.356 138 M C -1.178 175.167 176.300 0.075 0.000 1.303 138 M CA -0.156 55.227 55.300 0.140 0.000 1.116 138 M CB 1.699 34.371 32.600 0.122 0.000 1.632 138 M HN 0.100 nan 8.290 nan 0.000 0.469 139 V N 5.362 125.284 119.914 0.014 0.000 2.340 139 V HA 0.225 4.345 4.120 -0.000 0.000 0.277 139 V C -0.198 175.756 176.094 -0.234 0.000 1.017 139 V CA -0.709 61.486 62.300 -0.175 0.000 0.820 139 V CB 1.509 33.106 31.823 -0.377 0.000 1.028 139 V HN 0.590 nan 8.190 nan 0.000 0.436 140 V N 4.641 124.434 119.914 -0.202 0.000 2.322 140 V HA 0.446 4.566 4.120 -0.000 0.000 0.258 140 V C 1.256 177.167 176.094 -0.304 0.000 1.074 140 V CA -0.189 61.942 62.300 -0.282 0.000 0.909 140 V CB 0.792 32.499 31.823 -0.194 0.000 1.090 140 V HN 0.844 nan 8.190 nan 0.000 0.486 141 G N 3.687 112.237 108.800 -0.416 0.000 2.594 141 G HA2 0.446 4.406 3.960 -0.000 0.000 0.243 141 G HA3 0.446 4.406 3.960 -0.000 0.000 0.243 141 G C -0.599 174.175 174.900 -0.211 0.000 1.229 141 G CA -0.113 44.838 45.100 -0.249 0.000 0.843 141 G HN 0.624 nan 8.290 nan 0.000 0.578 142 V N 2.695 122.561 119.914 -0.079 0.000 2.655 142 V HA 0.508 4.628 4.120 -0.000 0.000 0.301 142 V C 0.114 176.176 176.094 -0.053 0.000 1.082 142 V CA -0.569 61.681 62.300 -0.083 0.000 0.899 142 V CB 0.912 32.701 31.823 -0.057 0.000 1.014 142 V HN 0.901 nan 8.190 nan 0.000 0.429 143 I N 0.702 121.236 120.570 -0.060 0.000 3.343 143 I HA 0.747 4.917 4.170 -0.000 0.000 0.315 143 I C -1.128 174.976 176.117 -0.022 0.000 1.153 143 I CA -0.795 60.493 61.300 -0.020 0.000 0.952 143 I CB 2.596 40.615 38.000 0.032 0.000 1.287 143 I HN 0.532 nan 8.210 nan 0.000 0.472 144 N N 0.149 118.845 118.700 -0.006 0.000 2.272 144 N HA 0.494 5.234 4.740 -0.000 0.000 0.305 144 N C -0.318 175.201 175.510 0.015 0.000 1.103 144 N CA 0.113 53.158 53.050 -0.009 0.000 0.791 144 N CB 2.558 41.028 38.487 -0.028 0.000 1.356 144 N HN 0.922 nan 8.380 nan 0.000 0.486 145 T N -0.720 113.845 114.554 0.017 0.000 3.311 145 T HA 0.102 4.452 4.350 -0.000 0.000 0.239 145 T C 1.076 175.786 174.700 0.017 0.000 0.976 145 T CA 0.346 62.461 62.100 0.025 0.000 1.283 145 T CB -0.233 68.656 68.868 0.035 0.000 1.113 145 T HN 0.420 nan 8.240 nan 0.000 0.392 146 D N 1.896 122.305 120.400 0.014 0.000 2.165 146 D HA 0.189 4.829 4.640 -0.000 0.000 0.213 146 D C 1.510 177.813 176.300 0.005 0.000 0.983 146 D CA 0.913 54.920 54.000 0.011 0.000 0.881 146 D CB -0.371 40.436 40.800 0.013 0.000 1.028 146 D HN 0.508 nan 8.370 nan 0.000 0.457 147 G N 0.704 109.504 108.800 0.000 0.000 3.064 147 G HA2 0.219 4.179 3.960 -0.000 0.000 0.286 147 G HA3 0.219 4.179 3.960 -0.000 0.000 0.286 147 G C -0.164 174.730 174.900 -0.010 0.000 0.834 147 G CA -0.290 44.807 45.100 -0.005 0.000 1.856 147 G HN 0.104 nan 8.290 nan 0.000 0.559 148 T N 3.451 118.003 114.554 -0.003 0.000 2.933 148 T HA 0.318 4.668 4.350 -0.000 0.000 0.306 148 T C 0.607 175.304 174.700 -0.005 0.000 1.045 148 T CA 0.492 62.590 62.100 -0.003 0.000 1.143 148 T CB 0.579 69.449 68.868 0.003 0.000 1.003 148 T HN 0.669 nan 8.240 nan 0.000 0.540 149 M N 1.037 120.631 119.600 -0.009 0.000 2.716 149 M HA 0.655 5.135 4.480 -0.000 0.000 0.278 149 M C -0.186 176.113 176.300 -0.001 0.000 1.281 149 M CA -1.041 54.256 55.300 -0.005 0.000 0.814 149 M CB 1.979 34.565 32.600 -0.023 0.000 1.719 149 M HN 0.606 nan 8.290 nan 0.000 0.457 150 T N -1.109 113.452 114.554 0.012 0.000 2.888 150 T HA 0.378 4.728 4.350 -0.000 0.000 0.283 150 T C 0.192 174.894 174.700 0.003 0.000 1.013 150 T CA -0.501 61.610 62.100 0.019 0.000 0.938 150 T CB 0.931 69.828 68.868 0.048 0.000 1.298 150 T HN 0.773 nan 8.240 nan 0.000 0.580 151 Q N 0.692 120.498 119.800 0.009 0.000 2.642 151 Q HA 0.285 4.625 4.340 -0.000 0.000 0.319 151 Q C -0.405 175.587 176.000 -0.013 0.000 1.030 151 Q CA -0.026 55.773 55.803 -0.006 0.000 0.943 151 Q CB 0.240 28.976 28.738 -0.003 0.000 1.323 151 Q HN 0.694 nan 8.270 nan 0.000 0.419 152 E N -0.339 119.840 120.200 -0.035 0.000 1.790 152 E HA -0.061 4.289 4.350 -0.000 0.000 0.239 152 E C 0.697 177.162 176.600 -0.224 0.000 1.072 152 E CA 0.231 56.591 56.400 -0.067 0.000 1.530 152 E CB -0.267 29.490 29.700 0.095 0.000 4.031 152 E HN 0.149 nan 8.360 nan 0.000 0.911 153 D N 0.553 120.910 120.400 -0.070 0.000 2.144 153 D HA -0.018 4.621 4.640 -0.000 0.000 0.200 153 D C 1.893 178.105 176.300 -0.147 0.000 0.978 153 D CA 1.183 55.130 54.000 -0.087 0.000 0.833 153 D CB 0.197 41.026 40.800 0.047 0.000 0.961 153 D HN 0.281 nan 8.370 nan 0.000 0.470 154 I N 0.634 121.142 120.570 -0.104 0.000 2.406 154 I HA -0.175 3.995 4.170 -0.000 0.000 0.249 154 I C 2.276 178.345 176.117 -0.081 0.000 1.122 154 I CA 0.514 61.768 61.300 -0.077 0.000 1.431 154 I CB -0.049 37.917 38.000 -0.056 0.000 1.087 154 I HN -0.138 nan 8.210 nan 0.000 0.424 155 S N 0.285 115.911 115.700 -0.123 0.000 2.423 155 S HA -0.197 4.273 4.470 -0.000 0.000 0.231 155 S C 1.546 176.036 174.600 -0.184 0.000 1.014 155 S CA 1.529 59.657 58.200 -0.120 0.000 0.965 155 S CB -0.359 62.774 63.200 -0.111 0.000 0.785 155 S HN 0.546 nan 8.310 nan 0.000 0.495 156 D N 0.500 120.709 120.400 -0.319 0.000 2.120 156 D HA -0.144 4.496 4.640 -0.000 0.000 0.202 156 D C 1.776 177.986 176.300 -0.151 0.000 0.972 156 D CA 0.687 54.477 54.000 -0.350 0.000 0.837 156 D CB -0.331 39.965 40.800 -0.839 0.000 0.989 156 D HN 0.351 nan 8.370 nan 0.000 0.469 157 Y N 0.436 120.605 120.300 -0.219 0.000 2.274 157 Y HA -0.092 4.457 4.550 -0.000 0.000 0.290 157 Y C 2.029 177.845 175.900 -0.139 0.000 1.145 157 Y CA 1.071 59.080 58.100 -0.153 0.000 1.203 157 Y CB -0.219 38.138 38.460 -0.173 0.000 0.984 157 Y HN -0.064 nan 8.280 nan 0.000 0.533 158 V N -0.059 119.784 119.914 -0.117 0.000 2.358 158 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 158 V C 2.050 178.049 176.094 -0.158 0.000 1.047 158 V CA 1.771 63.985 62.300 -0.143 0.000 1.035 158 V CB -1.162 30.622 31.823 -0.065 0.000 0.658 158 V HN 0.495 nan 8.190 nan 0.000 0.452 159 A N -1.031 121.705 122.820 -0.140 0.000 2.640 159 A HA 0.698 5.017 4.320 -0.000 0.000 0.282 159 A C 0.905 178.416 177.584 -0.123 0.000 1.357 159 A CA 0.653 52.618 52.037 -0.120 0.000 0.946 159 A CB -0.228 18.711 19.000 -0.102 0.000 1.065 159 A HN 0.630 nan 8.150 nan 0.000 0.541 160 A N -0.279 122.437 122.820 -0.173 0.000 2.958 160 A HA 0.529 4.849 4.320 -0.000 0.000 0.214 160 A C 0.080 177.528 177.584 -0.227 0.000 0.902 160 A CA 0.355 52.300 52.037 -0.153 0.000 1.136 160 A CB -0.402 18.542 19.000 -0.094 0.000 1.250 160 A HN 0.546 nan 8.150 nan 0.000 0.497 161 N N -1.187 117.369 118.700 -0.240 0.000 2.501 161 N HA -0.096 4.644 4.740 -0.000 0.000 0.310 161 N C 1.128 176.549 175.510 -0.149 0.000 0.704 161 N CA 1.123 54.023 53.050 -0.249 0.000 0.777 161 N CB -0.383 37.788 38.487 -0.528 0.000 2.418 161 N HN 0.200 nan 8.380 nan 0.000 1.244 162 M N -0.735 118.773 119.600 -0.154 0.000 2.538 162 M HA 0.365 4.845 4.480 -0.000 0.000 0.259 162 M C 1.767 178.039 176.300 -0.047 0.000 1.217 162 M CA 0.143 55.409 55.300 -0.057 0.000 1.131 162 M CB 0.172 32.763 32.600 -0.015 0.000 1.382 162 M HN 0.048 nan 8.290 nan 0.000 0.520 163 K N 1.409 121.766 120.400 -0.072 0.000 2.062 163 K HA -0.126 4.193 4.320 -0.000 0.000 0.205 163 K C 1.092 177.665 176.600 -0.044 0.000 1.051 163 K CA 1.881 58.135 56.287 -0.056 0.000 0.941 163 K CB 0.126 32.583 32.500 -0.072 0.000 0.719 163 K HN 0.115 nan 8.250 nan 0.000 0.440 164 D N 0.236 120.606 120.400 -0.049 0.000 2.144 164 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 164 D C 1.617 177.902 176.300 -0.025 0.000 0.978 164 D CA 1.214 55.192 54.000 -0.038 0.000 0.833 164 D CB 0.020 40.794 40.800 -0.043 0.000 0.961 164 D HN 0.343 nan 8.370 nan 0.000 0.470 165 A N -0.027 122.779 122.820 -0.022 0.000 1.968 165 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 165 A C 1.943 179.528 177.584 0.001 0.000 1.169 165 A CA 0.654 52.686 52.037 -0.008 0.000 0.638 165 A CB -0.314 18.684 19.000 -0.003 0.000 0.812 165 A HN 0.102 nan 8.150 nan 0.000 0.446 166 I N 0.856 121.426 120.570 0.000 0.000 2.286 166 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 166 I C 2.790 178.913 176.117 0.010 0.000 1.104 166 I CA 1.794 63.100 61.300 0.010 0.000 1.397 166 I CB -0.727 37.278 38.000 0.008 0.000 1.072 166 I HN 0.466 nan 8.210 nan 0.000 0.417 167 S N 1.102 116.802 115.700 0.001 0.000 2.428 167 S HA -0.169 4.300 4.470 -0.000 0.000 0.230 167 S C 2.025 176.629 174.600 0.006 0.000 1.014 167 S CA 0.723 58.925 58.200 0.003 0.000 0.957 167 S CB -0.504 62.692 63.200 -0.008 0.000 0.784 167 S HN 0.613 nan 8.310 nan 0.000 0.499 168 R N 0.776 121.278 120.500 0.003 0.000 2.280 168 R HA 0.160 4.500 4.340 -0.000 0.000 0.195 168 R C 0.704 177.010 176.300 0.009 0.000 0.935 168 R CA 0.426 56.528 56.100 0.004 0.000 1.033 168 R CB -0.639 29.660 30.300 -0.001 0.000 0.964 168 R HN 0.256 nan 8.270 nan 0.000 0.489 169 T N 1.833 116.395 114.554 0.013 0.000 2.856 169 T HA -0.019 4.331 4.350 -0.000 0.000 0.306 169 T C 0.123 174.835 174.700 0.021 0.000 1.062 169 T CA 0.717 62.827 62.100 0.017 0.000 1.083 169 T CB 0.682 69.564 68.868 0.022 0.000 0.984 169 T HN 0.561 nan 8.240 nan 0.000 0.542 170 S N 1.973 117.685 115.700 0.021 0.000 3.507 170 S HA -0.118 4.352 4.470 -0.000 0.000 0.139 170 S C 0.979 175.595 174.600 0.026 0.000 0.333 170 S CA 0.346 58.560 58.200 0.023 0.000 1.411 170 S CB -2.116 61.100 63.200 0.026 0.000 0.973 170 S HN 1.882 nan 8.310 nan 0.000 0.248 171 G N 0.998 109.810 108.800 0.021 0.000 2.334 171 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.279 171 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.279 171 G C 0.007 174.925 174.900 0.031 0.000 0.918 171 G CA -0.063 45.051 45.100 0.023 0.000 1.314 171 G HN 1.397 nan 8.290 nan 0.000 0.463 172 V N 1.147 121.080 119.914 0.032 0.000 2.546 172 V HA 0.566 4.686 4.120 -0.000 0.000 0.284 172 V C 1.855 177.973 176.094 0.039 0.000 1.050 172 V CA 0.533 62.858 62.300 0.041 0.000 0.981 172 V CB 1.228 33.075 31.823 0.040 0.000 0.990 172 V HN 0.625 nan 8.190 nan 0.000 0.474 173 G N 4.080 112.911 108.800 0.050 0.000 2.556 173 G HA2 -0.005 3.954 3.960 -0.000 0.000 0.215 173 G HA3 -0.005 3.954 3.960 -0.000 0.000 0.215 173 G C 0.090 175.016 174.900 0.045 0.000 1.258 173 G CA 1.025 46.154 45.100 0.047 0.000 0.811 173 G HN 0.906 nan 8.290 nan 0.000 0.557 174 D N -2.174 118.262 120.400 0.060 0.000 2.859 174 D HA 0.468 5.108 4.640 -0.000 0.000 0.223 174 D C -1.043 175.293 176.300 0.060 0.000 1.218 174 D CA -0.787 53.242 54.000 0.049 0.000 0.850 174 D CB 2.173 43.001 40.800 0.046 0.000 1.656 174 D HN 0.154 nan 8.370 nan 0.000 0.484 175 V N 1.140 121.065 119.914 0.018 0.000 2.472 175 V HA 0.488 4.608 4.120 -0.000 0.000 0.290 175 V C -0.363 175.689 176.094 -0.071 0.000 1.037 175 V CA -0.561 61.731 62.300 -0.013 0.000 0.908 175 V CB 1.386 33.188 31.823 -0.035 0.000 0.985 175 V HN 0.650 nan 8.190 nan 0.000 0.454 176 Q N 3.907 123.618 119.800 -0.148 0.000 2.425 176 Q HA 0.384 4.724 4.340 -0.000 0.000 0.254 176 Q C -0.889 174.800 176.000 -0.519 0.000 1.032 176 Q CA -0.224 55.390 55.803 -0.316 0.000 0.798 176 Q CB 1.232 29.778 28.738 -0.320 0.000 1.210 176 Q HN 0.733 nan 8.270 nan 0.000 0.491 177 L N 5.388 126.404 121.223 -0.345 0.000 2.477 177 L HA 0.239 4.579 4.340 -0.000 0.000 0.272 177 L C -0.979 175.714 176.870 -0.294 0.000 1.157 177 L CA 0.335 55.017 54.840 -0.262 0.000 0.889 177 L CB 0.053 42.021 42.059 -0.153 0.000 1.158 177 L HN 0.767 nan 8.230 nan 0.000 0.473 178 F N 5.690 125.644 119.950 0.007 0.000 2.567 178 F HA 0.420 4.947 4.527 -0.000 0.000 0.352 178 F C 1.095 176.899 175.800 0.005 0.000 1.229 178 F CA 0.663 58.697 58.000 0.056 0.000 1.228 178 F CB 0.426 39.537 39.000 0.185 0.000 1.568 178 F HN 0.770 nan 8.300 nan 0.000 0.634 179 G N 0.359 109.209 108.800 0.082 0.000 2.384 179 G HA2 0.241 4.201 3.960 -0.000 0.000 0.113 179 G HA3 0.241 4.201 3.960 -0.000 0.000 0.113 179 G C -1.156 173.693 174.900 -0.085 0.000 1.224 179 G CA -0.421 44.677 45.100 -0.004 0.000 1.126 179 G HN 0.417 nan 8.290 nan 0.000 0.461 180 S N -0.767 114.858 115.700 -0.125 0.000 2.542 180 S HA 0.525 4.995 4.470 -0.000 0.000 0.276 180 S C -0.699 173.814 174.600 -0.146 0.000 1.148 180 S CA 0.134 58.247 58.200 -0.146 0.000 0.886 180 S CB 1.582 64.664 63.200 -0.197 0.000 1.109 180 S HN 0.956 nan 8.310 nan 0.000 0.458 181 Q N 2.612 122.350 119.800 -0.104 0.000 2.392 181 Q HA 0.243 4.583 4.340 -0.000 0.000 0.262 181 Q C -0.967 175.048 176.000 0.024 0.000 1.003 181 Q CA -0.037 55.722 55.803 -0.073 0.000 0.888 181 Q CB 0.310 29.026 28.738 -0.037 0.000 1.260 181 Q HN 0.648 nan 8.270 nan 0.000 0.435 182 Y N 1.007 121.311 120.300 0.006 0.000 2.511 182 Y HA 0.336 4.886 4.550 -0.000 0.000 0.347 182 Y C 0.285 176.249 175.900 0.107 0.000 1.257 182 Y CA 0.155 58.281 58.100 0.044 0.000 1.469 182 Y CB 0.879 39.384 38.460 0.075 0.000 1.353 182 Y HN 0.721 nan 8.280 nan 0.000 0.617 183 A N 2.522 125.523 122.820 0.303 0.000 2.604 183 A HA 0.516 4.835 4.320 -0.000 0.000 0.295 183 A C -1.146 176.433 177.584 -0.009 0.000 1.067 183 A CA -1.001 51.191 52.037 0.258 0.000 0.683 183 A CB 1.075 20.226 19.000 0.252 0.000 1.281 183 A HN 0.631 nan 8.150 nan 0.000 0.407 184 M N 1.766 121.179 119.600 -0.313 0.000 2.760 184 M HA 0.294 4.774 4.480 -0.000 0.000 0.314 184 M C 0.117 176.087 176.300 -0.550 0.000 1.582 184 M CA 0.275 55.092 55.300 -0.806 0.000 1.484 184 M CB -1.026 30.522 32.600 -1.753 0.000 1.621 184 M HN 0.532 nan 8.290 nan 0.000 0.470 185 R N 4.117 124.352 120.500 -0.441 0.000 2.308 185 R HA 0.625 4.965 4.340 -0.000 0.000 0.305 185 R C -1.245 174.607 176.300 -0.746 0.000 1.053 185 R CA 0.014 55.780 56.100 -0.558 0.000 0.957 185 R CB 0.470 30.475 30.300 -0.491 0.000 1.022 185 R HN 0.749 nan 8.270 nan 0.000 0.461 186 I N 3.935 124.028 120.570 -0.794 0.000 2.439 186 I HA 0.291 4.461 4.170 -0.000 0.000 0.285 186 I C -0.883 174.933 176.117 -0.502 0.000 1.021 186 I CA -0.477 60.500 61.300 -0.539 0.000 1.091 186 I CB 1.561 39.410 38.000 -0.252 0.000 1.242 186 I HN 0.541 nan 8.210 nan 0.000 0.439 187 W N 7.370 128.687 121.300 0.028 0.000 2.309 187 W HA 0.506 5.165 4.660 -0.000 0.000 0.332 187 W C -0.149 176.414 176.519 0.073 0.000 0.962 187 W CA -0.790 56.581 57.345 0.043 0.000 1.497 187 W CB 0.567 30.035 29.460 0.013 0.000 1.308 187 W HN 0.190 nan 8.180 nan 0.000 0.384 188 M N 3.362 123.135 119.600 0.289 0.000 2.246 188 M HA 0.010 4.490 4.480 -0.000 0.000 0.350 188 M C 0.535 176.927 176.300 0.154 0.000 1.406 188 M CA 0.487 55.921 55.300 0.222 0.000 1.089 188 M CB 0.197 32.963 32.600 0.276 0.000 1.782 188 M HN 0.292 nan 8.290 nan 0.000 0.457 189 N N 5.773 124.484 118.700 0.018 0.000 2.422 189 N HA 0.219 4.959 4.740 -0.000 0.000 0.264 189 N C -1.874 173.355 175.510 -0.468 0.000 1.063 189 N CA -1.558 51.347 53.050 -0.241 0.000 0.959 189 N CB 1.448 39.878 38.487 -0.094 0.000 1.087 189 N HN 0.370 nan 8.380 nan 0.000 0.483 190 P HA 0.017 nan 4.420 nan 0.000 0.231 190 P C 0.469 177.447 177.300 -0.537 0.000 1.168 190 P CA 0.673 63.186 63.100 -0.979 0.000 0.779 190 P CB 0.697 31.240 31.700 -1.929 0.000 0.844 191 N N 0.422 118.795 118.700 -0.545 0.000 2.250 191 N HA -0.068 4.672 4.740 -0.000 0.000 0.181 191 N C 1.438 176.847 175.510 -0.169 0.000 1.017 191 N CA 0.955 53.838 53.050 -0.278 0.000 0.866 191 N CB -0.316 38.027 38.487 -0.240 0.000 0.985 191 N HN 0.229 nan 8.380 nan 0.000 0.429 192 E N 0.617 120.739 120.200 -0.130 0.000 2.502 192 E HA 0.063 4.413 4.350 -0.000 0.000 0.194 192 E C 1.652 178.330 176.600 0.130 0.000 1.062 192 E CA -0.069 56.346 56.400 0.025 0.000 0.867 192 E CB 0.337 30.093 29.700 0.093 0.000 0.888 192 E HN 0.381 nan 8.360 nan 0.000 0.510 193 L N 0.156 121.392 121.223 0.023 0.000 2.200 193 L HA 0.007 4.347 4.340 -0.000 0.000 0.200 193 L C 2.244 179.164 176.870 0.084 0.000 1.072 193 L CA 0.513 55.409 54.840 0.093 0.000 0.787 193 L CB -0.180 41.914 42.059 0.057 0.000 0.957 193 L HN 0.132 nan 8.230 nan 0.000 0.459 194 N N 0.300 118.998 118.700 -0.003 0.000 2.381 194 N HA -0.260 4.480 4.740 -0.000 0.000 0.182 194 N C 1.796 177.205 175.510 -0.168 0.000 1.025 194 N CA 0.700 53.693 53.050 -0.095 0.000 0.888 194 N CB 0.226 38.568 38.487 -0.241 0.000 0.965 194 N HN 0.130 nan 8.380 nan 0.000 0.438 195 K N -0.162 120.109 120.400 -0.215 0.000 2.147 195 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 195 K C 0.266 176.495 176.600 -0.618 0.000 1.049 195 K CA 1.304 57.309 56.287 -0.469 0.000 0.936 195 K CB 0.045 32.153 32.500 -0.654 0.000 0.722 195 K HN 0.173 nan 8.250 nan 0.000 0.446 196 F N 0.867 120.794 119.950 -0.038 0.000 2.668 196 F HA 0.279 4.806 4.527 -0.000 0.000 0.301 196 F C -0.743 175.049 175.800 -0.013 0.000 1.106 196 F CA -0.740 57.247 58.000 -0.022 0.000 1.289 196 F CB 0.247 39.239 39.000 -0.013 0.000 1.006 196 F HN -0.089 nan 8.300 nan 0.000 0.535 197 Q N 1.320 121.172 119.800 0.087 0.000 2.438 197 Q HA -0.122 4.217 4.340 -0.000 0.000 0.356 197 Q C -1.151 174.915 176.000 0.110 0.000 1.438 197 Q CA 0.543 56.387 55.803 0.069 0.000 0.973 197 Q CB -1.315 27.451 28.738 0.045 0.000 1.151 197 Q HN 0.515 nan 8.270 nan 0.000 0.328 198 L N -0.160 121.140 121.223 0.129 0.000 2.568 198 L HA 0.782 5.122 4.340 -0.000 0.000 0.257 198 L C 0.036 177.009 176.870 0.171 0.000 1.024 198 L CA -0.668 54.255 54.840 0.138 0.000 0.854 198 L CB 2.491 44.631 42.059 0.136 0.000 1.460 198 L HN 0.449 nan 8.230 nan 0.000 0.409 199 T N -3.569 111.087 114.554 0.169 0.000 2.907 199 T HA 0.483 4.833 4.350 -0.000 0.000 0.290 199 T C -2.398 172.417 174.700 0.191 0.000 1.066 199 T CA -1.727 60.502 62.100 0.215 0.000 1.012 199 T CB 2.060 71.048 68.868 0.199 0.000 1.184 199 T HN 0.405 nan 8.240 nan 0.000 0.522 200 P HA 0.021 nan 4.420 nan 0.000 0.230 200 P C 1.521 178.885 177.300 0.107 0.000 1.158 200 P CA 0.252 63.450 63.100 0.164 0.000 0.769 200 P CB -0.164 31.629 31.700 0.155 0.000 0.807 201 V N 1.214 121.190 119.914 0.104 0.000 2.427 201 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 201 V C 2.223 178.351 176.094 0.056 0.000 1.051 201 V CA 1.990 64.333 62.300 0.071 0.000 1.048 201 V CB -1.016 30.849 31.823 0.070 0.000 0.666 201 V HN 0.138 nan 8.190 nan 0.000 0.456 202 D N 0.001 120.440 120.400 0.066 0.000 2.194 202 D HA -0.082 4.558 4.640 -0.000 0.000 0.204 202 D C 2.185 178.507 176.300 0.037 0.000 0.964 202 D CA 1.119 55.148 54.000 0.047 0.000 0.846 202 D CB 0.118 40.950 40.800 0.054 0.000 0.962 202 D HN 0.363 nan 8.370 nan 0.000 0.490 203 V N 1.720 121.666 119.914 0.053 0.000 2.295 203 V HA -0.225 3.894 4.120 -0.000 0.000 0.246 203 V C 2.576 178.689 176.094 0.031 0.000 1.049 203 V CA 1.169 63.496 62.300 0.044 0.000 1.024 203 V CB -0.417 31.446 31.823 0.067 0.000 0.648 203 V HN 0.139 nan 8.190 nan 0.000 0.447 204 I N 0.167 120.756 120.570 0.032 0.000 2.286 204 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 204 I C 2.545 178.661 176.117 -0.001 0.000 1.115 204 I CA 1.831 63.139 61.300 0.013 0.000 1.392 204 I CB -0.601 37.406 38.000 0.012 0.000 1.065 204 I HN 0.313 nan 8.210 nan 0.000 0.418 205 T N 0.549 115.104 114.554 0.002 0.000 2.788 205 T HA -0.120 4.229 4.350 -0.000 0.000 0.268 205 T C 1.962 176.652 174.700 -0.018 0.000 1.044 205 T CA 1.390 63.486 62.100 -0.008 0.000 1.139 205 T CB -0.233 68.635 68.868 -0.000 0.000 0.867 205 T HN 0.481 nan 8.240 nan 0.000 0.454 206 A N 0.941 123.751 122.820 -0.016 0.000 2.066 206 A HA 0.110 4.430 4.320 -0.000 0.000 0.218 206 A C 2.166 179.719 177.584 -0.050 0.000 1.157 206 A CA 0.693 52.709 52.037 -0.034 0.000 0.670 206 A CB -0.542 18.438 19.000 -0.033 0.000 0.804 206 A HN 0.530 nan 8.150 nan 0.000 0.453 207 I N -0.753 119.800 120.570 -0.029 0.000 2.584 207 I HA -0.076 4.094 4.170 -0.000 0.000 0.255 207 I C 0.489 176.584 176.117 -0.036 0.000 1.145 207 I CA 0.770 62.055 61.300 -0.025 0.000 1.462 207 I CB -0.390 37.638 38.000 0.045 0.000 1.102 207 I HN 0.206 nan 8.210 nan 0.000 0.433 208 K N 1.991 122.369 120.400 -0.036 0.000 2.758 208 K HA 0.499 4.819 4.320 -0.000 0.000 0.250 208 K C 0.310 176.885 176.600 -0.041 0.000 1.268 208 K CA 0.140 56.402 56.287 -0.042 0.000 1.228 208 K CB 0.792 33.263 32.500 -0.048 0.000 1.715 208 K HN 0.277 nan 8.250 nan 0.000 0.334 209 A N 0.287 123.078 122.820 -0.049 0.000 1.889 209 A HA -0.070 4.249 4.320 -0.000 0.000 0.204 209 A C 1.403 178.950 177.584 -0.061 0.000 1.739 209 A CA -0.197 51.812 52.037 -0.048 0.000 1.589 209 A CB 0.085 19.059 19.000 -0.044 0.000 1.485 209 A HN 0.298 nan 8.150 nan 0.000 0.472 210 Q N -0.215 119.533 119.800 -0.086 0.000 2.226 210 Q HA 0.061 4.401 4.340 -0.000 0.000 0.199 210 Q C 0.343 176.258 176.000 -0.142 0.000 0.945 210 Q CA 0.866 56.600 55.803 -0.114 0.000 0.861 210 Q CB 0.070 28.724 28.738 -0.142 0.000 0.953 210 Q HN 0.494 nan 8.270 nan 0.000 0.490 211 N N 1.111 119.711 118.700 -0.166 0.000 2.807 211 N HA 0.294 5.034 4.740 -0.000 0.000 0.259 211 N C -1.639 173.845 175.510 -0.043 0.000 1.149 211 N CA -0.000 52.967 53.050 -0.138 0.000 1.042 211 N CB 0.253 38.642 38.487 -0.163 0.000 1.367 211 N HN 0.204 nan 8.380 nan 0.000 0.516 212 A N 2.027 124.827 122.820 -0.035 0.000 2.612 212 A HA 0.505 4.825 4.320 -0.000 0.000 0.293 212 A C -1.409 176.168 177.584 -0.012 0.000 1.075 212 A CA -0.779 51.247 52.037 -0.018 0.000 0.680 212 A CB 1.393 20.375 19.000 -0.029 0.000 1.279 212 A HN 0.404 nan 8.150 nan 0.000 0.411 213 Q N 1.119 120.916 119.800 -0.006 0.000 2.357 213 Q HA 0.515 4.855 4.340 -0.000 0.000 0.266 213 Q C -1.161 174.834 176.000 -0.009 0.000 1.021 213 Q CA -0.402 55.398 55.803 -0.005 0.000 0.784 213 Q CB 2.024 30.763 28.738 0.001 0.000 1.243 213 Q HN 0.559 nan 8.270 nan 0.000 0.465 214 V N 1.216 121.123 119.914 -0.012 0.000 2.612 214 V HA 0.546 4.666 4.120 -0.000 0.000 0.301 214 V C 0.028 176.115 176.094 -0.010 0.000 1.046 214 V CA -0.778 61.515 62.300 -0.012 0.000 0.946 214 V CB 1.733 33.547 31.823 -0.015 0.000 1.003 214 V HN 0.789 nan 8.190 nan 0.000 0.459 215 A N 3.514 126.328 122.820 -0.010 0.000 2.774 215 A HA 0.747 5.066 4.320 -0.000 0.000 0.326 215 A C 0.497 178.076 177.584 -0.008 0.000 1.478 215 A CA -0.145 51.887 52.037 -0.008 0.000 1.099 215 A CB -0.306 18.689 19.000 -0.008 0.000 1.148 215 A HN 1.181 nan 8.150 nan 0.000 0.519 216 A N 1.918 124.733 122.820 -0.008 0.000 2.351 216 A HA 0.644 4.963 4.320 -0.000 0.000 0.257 216 A C 1.154 178.734 177.584 -0.007 0.000 1.087 216 A CA 0.222 52.255 52.037 -0.008 0.000 0.798 216 A CB 0.141 19.136 19.000 -0.008 0.000 1.033 216 A HN 1.139 nan 8.150 nan 0.000 0.488 217 G N 0.183 108.980 108.800 -0.007 0.000 2.820 217 G HA2 0.454 4.413 3.960 -0.000 0.000 0.158 217 G HA3 0.454 4.413 3.960 -0.000 0.000 0.158 217 G C -0.096 174.801 174.900 -0.005 0.000 1.715 217 G CA 0.305 45.401 45.100 -0.006 0.000 1.057 217 G HN 0.964 nan 8.290 nan 0.000 0.525 218 Q N -1.069 118.728 119.800 -0.005 0.000 2.377 218 Q HA 0.525 4.865 4.340 -0.000 0.000 0.279 218 Q C -1.238 174.760 176.000 -0.004 0.000 1.049 218 Q CA -0.880 54.921 55.803 -0.005 0.000 0.825 218 Q CB 2.095 30.831 28.738 -0.004 0.000 1.401 218 Q HN 0.349 nan 8.270 nan 0.000 0.404 219 L N 1.413 122.633 121.223 -0.004 0.000 2.416 219 L HA 0.394 4.734 4.340 -0.000 0.000 0.272 219 L C 1.233 178.101 176.870 -0.003 0.000 1.161 219 L CA 0.896 55.734 54.840 -0.004 0.000 0.845 219 L CB 0.022 42.078 42.059 -0.004 0.000 1.119 219 L HN 1.164 nan 8.230 nan 0.000 0.464 220 G N 2.060 110.859 108.800 -0.003 0.000 2.205 220 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.261 220 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.261 220 G C 0.417 175.315 174.900 -0.003 0.000 0.980 220 G CA -0.055 45.043 45.100 -0.003 0.000 0.632 220 G HN 1.046 nan 8.290 nan 0.000 0.533 221 G N -2.082 106.716 108.800 -0.003 0.000 2.601 221 G HA2 0.591 4.551 3.960 -0.000 0.000 0.317 221 G HA3 0.591 4.551 3.960 -0.000 0.000 0.317 221 G C 0.642 175.540 174.900 -0.003 0.000 1.246 221 G CA 1.003 46.101 45.100 -0.003 0.000 1.012 221 G HN 0.299 nan 8.290 nan 0.000 0.494 222 T N 0.439 114.991 114.554 -0.003 0.000 3.004 222 T HA 0.203 4.553 4.350 -0.000 0.000 0.243 222 T C -1.616 173.082 174.700 -0.003 0.000 1.020 222 T CA 0.573 62.671 62.100 -0.003 0.000 1.145 222 T CB -0.158 68.708 68.868 -0.004 0.000 0.876 222 T HN 0.406 nan 8.240 nan 0.000 0.449 223 P HA 0.418 nan 4.420 nan 0.000 0.284 223 P C -2.547 174.751 177.300 -0.003 0.000 1.432 223 P CA -1.177 61.922 63.100 -0.003 0.000 0.929 223 P CB 0.871 32.569 31.700 -0.003 0.000 1.158 224 P HA 0.295 nan 4.420 nan 0.000 0.321 224 P C -0.846 176.452 177.300 -0.002 0.000 1.304 224 P CA -0.616 62.483 63.100 -0.003 0.000 0.759 224 P CB 0.792 32.490 31.700 -0.002 0.000 1.385 225 V N -0.386 119.527 119.914 -0.002 0.000 2.407 225 V HA 0.249 4.369 4.120 -0.000 0.000 0.278 225 V C 0.338 176.431 176.094 -0.002 0.000 1.037 225 V CA -0.924 61.375 62.300 -0.002 0.000 0.900 225 V CB 0.306 32.128 31.823 -0.002 0.000 0.983 225 V HN 0.374 nan 8.190 nan 0.000 0.459 226 K N 3.789 124.188 120.400 -0.002 0.000 2.319 226 K HA 0.401 4.721 4.320 -0.000 0.000 0.277 226 K C 1.033 177.632 176.600 -0.002 0.000 1.111 226 K CA 0.944 57.230 56.287 -0.002 0.000 1.093 226 K CB -0.337 32.162 32.500 -0.002 0.000 0.910 226 K HN 1.192 nan 8.250 nan 0.000 0.452 227 G N 1.881 110.680 108.800 -0.002 0.000 2.200 227 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.145 227 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.145 227 G C -0.308 174.591 174.900 -0.002 0.000 1.021 227 G CA -0.695 44.404 45.100 -0.002 0.000 0.720 227 G HN 0.503 nan 8.290 nan 0.000 0.494 228 Q N 0.185 119.984 119.800 -0.002 0.000 2.352 228 Q HA 0.617 4.957 4.340 -0.000 0.000 0.260 228 Q C 1.381 177.380 176.000 -0.002 0.000 0.976 228 Q CA 0.367 56.169 55.803 -0.002 0.000 0.881 228 Q CB 1.125 29.861 28.738 -0.002 0.000 1.235 228 Q HN 0.224 nan 8.270 nan 0.000 0.419 229 Q N 2.192 121.991 119.800 -0.002 0.000 2.297 229 Q HA 0.316 4.656 4.340 -0.000 0.000 0.203 229 Q C -0.319 175.680 176.000 -0.002 0.000 0.931 229 Q CA 0.732 56.534 55.803 -0.002 0.000 0.885 229 Q CB 0.323 29.060 28.738 -0.001 0.000 0.991 229 Q HN 0.696 nan 8.270 nan 0.000 0.498 230 L N -2.086 119.136 121.223 -0.002 0.000 2.309 230 L HA 0.671 5.011 4.340 -0.000 0.000 0.261 230 L C -1.066 175.803 176.870 -0.002 0.000 1.021 230 L CA -0.863 53.976 54.840 -0.002 0.000 0.823 230 L CB 2.248 44.306 42.059 -0.002 0.000 1.366 230 L HN -0.108 nan 8.230 nan 0.000 0.423 231 N N 1.780 120.478 118.700 -0.002 0.000 2.599 231 N HA 0.607 5.347 4.740 -0.000 0.000 0.283 231 N C -1.899 173.609 175.510 -0.003 0.000 1.160 231 N CA -0.119 52.930 53.050 -0.003 0.000 0.869 231 N CB 2.078 40.564 38.487 -0.003 0.000 1.448 231 N HN 1.046 nan 8.380 nan 0.000 0.535 232 A N 1.707 124.525 122.820 -0.003 0.000 2.423 232 A HA 0.685 5.005 4.320 -0.000 0.000 0.304 232 A C -0.288 177.294 177.584 -0.004 0.000 1.104 232 A CA -0.597 51.438 52.037 -0.003 0.000 0.757 232 A CB 1.302 20.300 19.000 -0.003 0.000 1.313 232 A HN 0.585 nan 8.150 nan 0.000 0.423 233 S N 1.079 116.777 115.700 -0.004 0.000 2.537 233 S HA 0.623 5.093 4.470 -0.000 0.000 0.275 233 S C -0.107 174.490 174.600 -0.004 0.000 1.272 233 S CA -0.437 57.760 58.200 -0.004 0.000 1.050 233 S CB 0.290 63.487 63.200 -0.004 0.000 0.961 233 S HN 0.502 nan 8.310 nan 0.000 0.496 234 I N 2.730 123.298 120.570 -0.005 0.000 2.395 234 I HA 0.253 4.422 4.170 -0.000 0.000 0.289 234 I C -0.424 175.690 176.117 -0.006 0.000 1.023 234 I CA -0.650 60.647 61.300 -0.005 0.000 1.350 234 I CB 0.768 38.765 38.000 -0.006 0.000 1.409 234 I HN 0.523 nan 8.210 nan 0.000 0.507 235 I N 4.918 125.485 120.570 -0.006 0.000 2.577 235 I HA 0.529 4.699 4.170 -0.000 0.000 0.305 235 I C 0.556 176.669 176.117 -0.008 0.000 0.986 235 I CA 0.287 61.583 61.300 -0.006 0.000 1.189 235 I CB 1.720 39.717 38.000 -0.005 0.000 1.355 235 I HN 0.776 nan 8.210 nan 0.000 0.476 236 A N 3.949 126.763 122.820 -0.009 0.000 2.905 236 A HA 0.463 4.783 4.320 -0.000 0.000 0.193 236 A C -0.454 177.121 177.584 -0.014 0.000 1.268 236 A CA -0.326 51.704 52.037 -0.012 0.000 1.416 236 A CB 0.178 19.171 19.000 -0.012 0.000 1.753 236 A HN 0.529 nan 8.150 nan 0.000 0.583 237 Q N 1.096 120.886 119.800 -0.017 0.000 2.297 237 Q HA 0.341 4.681 4.340 -0.000 0.000 0.267 237 Q C -0.946 175.045 176.000 -0.015 0.000 1.006 237 Q CA 0.443 56.234 55.803 -0.021 0.000 0.896 237 Q CB 0.669 29.392 28.738 -0.026 0.000 1.186 237 Q HN 0.480 nan 8.270 nan 0.000 0.392 238 T N 2.780 117.325 114.554 -0.015 0.000 2.859 238 T HA 0.315 4.665 4.350 -0.000 0.000 0.281 238 T C 0.063 174.762 174.700 -0.002 0.000 1.005 238 T CA -0.614 61.483 62.100 -0.005 0.000 1.025 238 T CB 0.950 69.817 68.868 -0.002 0.000 0.977 238 T HN 0.416 nan 8.240 nan 0.000 0.458 239 R N 1.958 122.469 120.500 0.018 0.000 2.694 239 R HA 0.225 4.564 4.340 -0.000 0.000 0.268 239 R C -0.074 176.271 176.300 0.074 0.000 1.061 239 R CA -0.662 55.467 56.100 0.049 0.000 1.133 239 R CB 0.265 30.612 30.300 0.078 0.000 1.020 239 R HN 0.324 nan 8.270 nan 0.000 0.475 240 L N 1.519 122.804 121.223 0.103 0.000 2.436 240 L HA 0.085 4.425 4.340 -0.000 0.000 0.265 240 L C 1.242 178.323 176.870 0.352 0.000 1.168 240 L CA 0.850 55.762 54.840 0.120 0.000 0.815 240 L CB 1.401 43.367 42.059 -0.154 0.000 1.109 240 L HN 0.792 nan 8.230 nan 0.000 0.462 241 T N -0.312 114.415 114.554 0.288 0.000 3.087 241 T HA 0.083 4.432 4.350 -0.000 0.000 0.237 241 T C 0.723 175.637 174.700 0.356 0.000 0.990 241 T CA 0.457 62.733 62.100 0.293 0.000 1.160 241 T CB 0.424 69.382 68.868 0.149 0.000 0.923 241 T HN 0.713 nan 8.240 nan 0.000 0.442 242 S N 0.126 115.984 115.700 0.263 0.000 2.726 242 S HA 0.437 4.907 4.470 -0.000 0.000 0.308 242 S C 1.187 175.892 174.600 0.173 0.000 1.115 242 S CA -0.058 58.256 58.200 0.190 0.000 0.965 242 S CB 1.240 64.510 63.200 0.116 0.000 1.145 242 S HN 0.092 nan 8.310 nan 0.000 0.532 243 T N -0.699 113.897 114.554 0.070 0.000 2.915 243 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 243 T C 1.416 176.158 174.700 0.071 0.000 1.071 243 T CA 1.904 64.018 62.100 0.022 0.000 1.132 243 T CB -0.702 68.144 68.868 -0.037 0.000 0.878 243 T HN 0.738 nan 8.240 nan 0.000 0.479 244 E N 0.159 120.399 120.200 0.067 0.000 2.072 244 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 244 E C 2.097 178.730 176.600 0.056 0.000 0.985 244 E CA 1.175 57.606 56.400 0.052 0.000 0.801 244 E CB -0.000 29.723 29.700 0.038 0.000 0.750 244 E HN 0.672 nan 8.360 nan 0.000 0.452 245 E N -0.469 119.775 120.200 0.073 0.000 2.208 245 E HA -0.148 4.201 4.350 -0.000 0.000 0.193 245 E C 1.822 178.400 176.600 -0.037 0.000 0.988 245 E CA 0.581 56.990 56.400 0.016 0.000 0.828 245 E CB -0.115 29.590 29.700 0.009 0.000 0.763 245 E HN 0.326 nan 8.360 nan 0.000 0.478 246 F N 1.029 120.942 119.950 -0.060 0.000 2.325 246 F HA 0.024 4.551 4.527 -0.000 0.000 0.299 246 F C 2.438 178.194 175.800 -0.073 0.000 1.090 246 F CA 1.091 59.040 58.000 -0.086 0.000 1.392 246 F CB -0.190 38.725 39.000 -0.142 0.000 1.053 246 F HN 0.042 nan 8.300 nan 0.000 0.521 247 G N -0.564 108.298 108.800 0.103 0.000 2.484 247 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 247 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 247 G C 1.462 176.360 174.900 -0.003 0.000 1.130 247 G CA 0.248 45.372 45.100 0.040 0.000 0.784 247 G HN 0.221 nan 8.290 nan 0.000 0.543 248 K N 0.420 120.807 120.400 -0.021 0.000 2.446 248 K HA 0.257 4.577 4.320 -0.000 0.000 0.203 248 K C 0.188 176.745 176.600 -0.071 0.000 1.027 248 K CA -0.251 56.010 56.287 -0.043 0.000 1.166 248 K CB 0.505 32.982 32.500 -0.038 0.000 0.869 248 K HN 0.279 nan 8.250 nan 0.000 0.504 249 I N 2.227 122.746 120.570 -0.084 0.000 2.556 249 I HA -0.023 4.147 4.170 -0.000 0.000 0.284 249 I C 0.173 176.241 176.117 -0.081 0.000 1.114 249 I CA -0.554 60.683 61.300 -0.104 0.000 1.418 249 I CB 0.384 38.310 38.000 -0.123 0.000 1.394 249 I HN -0.042 nan 8.210 nan 0.000 0.552 250 L N 7.499 128.676 121.223 -0.078 0.000 2.261 250 L HA 0.215 4.555 4.340 -0.000 0.000 0.289 250 L C 0.435 177.266 176.870 -0.065 0.000 1.059 250 L CA 0.429 55.227 54.840 -0.071 0.000 0.816 250 L CB 0.786 42.808 42.059 -0.061 0.000 1.191 250 L HN 0.553 nan 8.230 nan 0.000 0.431 251 L N 3.515 124.694 121.223 -0.073 0.000 2.084 251 L HA 0.193 4.533 4.340 -0.000 0.000 0.202 251 L C 0.895 177.736 176.870 -0.049 0.000 1.074 251 L CA 0.825 55.630 54.840 -0.059 0.000 0.757 251 L CB -0.025 41.990 42.059 -0.073 0.000 0.918 251 L HN 0.583 nan 8.230 nan 0.000 0.444 252 K N -0.884 119.475 120.400 -0.068 0.000 2.509 252 K HA 0.527 4.847 4.320 -0.000 0.000 0.266 252 K C -1.740 174.832 176.600 -0.046 0.000 0.987 252 K CA -0.649 55.612 56.287 -0.044 0.000 0.868 252 K CB 2.571 35.053 32.500 -0.030 0.000 1.421 252 K HN -0.262 nan 8.250 nan 0.000 0.444 253 V N 0.733 120.635 119.914 -0.020 0.000 2.385 253 V HA 0.326 4.446 4.120 -0.000 0.000 0.277 253 V C -0.580 175.519 176.094 0.009 0.000 1.012 253 V CA -1.104 61.188 62.300 -0.012 0.000 0.832 253 V CB 0.681 32.496 31.823 -0.013 0.000 1.028 253 V HN 0.721 nan 8.190 nan 0.000 0.436 254 N N 3.069 121.785 118.700 0.027 0.000 2.492 254 N HA 0.181 4.921 4.740 -0.000 0.000 0.262 254 N C 1.362 176.892 175.510 0.032 0.000 1.202 254 N CA 0.184 53.262 53.050 0.048 0.000 0.926 254 N CB 1.000 39.542 38.487 0.093 0.000 1.078 254 N HN 0.855 nan 8.380 nan 0.000 0.454 255 Q N 1.576 121.392 119.800 0.027 0.000 2.377 255 Q HA -0.407 3.933 4.340 -0.000 0.000 0.225 255 Q C 0.641 176.651 176.000 0.016 0.000 1.097 255 Q CA 2.414 58.228 55.803 0.019 0.000 0.985 255 Q CB -0.729 28.019 28.738 0.017 0.000 1.071 255 Q HN 0.794 nan 8.270 nan 0.000 0.505 256 D N 0.098 120.511 120.400 0.020 0.000 2.323 256 D HA 0.118 4.758 4.640 -0.000 0.000 0.239 256 D C 1.194 177.503 176.300 0.015 0.000 1.129 256 D CA 0.678 54.688 54.000 0.016 0.000 0.865 256 D CB -0.102 40.709 40.800 0.019 0.000 0.913 256 D HN 0.733 nan 8.370 nan 0.000 0.517 257 G N 0.610 109.417 108.800 0.013 0.000 2.179 257 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 257 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 257 G C 0.416 175.320 174.900 0.007 0.000 0.977 257 G CA 0.466 45.570 45.100 0.007 0.000 0.641 257 G HN 0.805 nan 8.290 nan 0.000 0.533 258 S N -0.004 115.706 115.700 0.017 0.000 2.576 258 S HA 0.652 5.122 4.470 -0.000 0.000 0.276 258 S C 0.275 174.872 174.600 -0.004 0.000 1.339 258 S CA -0.288 57.923 58.200 0.018 0.000 1.039 258 S CB 1.440 64.670 63.200 0.050 0.000 0.902 258 S HN 0.512 nan 8.310 nan 0.000 0.516 259 R N 1.527 122.010 120.500 -0.029 0.000 2.295 259 R HA 0.446 4.785 4.340 -0.000 0.000 0.324 259 R C -1.226 174.990 176.300 -0.141 0.000 0.968 259 R CA -0.712 55.347 56.100 -0.068 0.000 0.837 259 R CB 1.630 31.895 30.300 -0.057 0.000 1.133 259 R HN 0.558 nan 8.270 nan 0.000 0.450 260 V N 5.945 125.727 119.914 -0.220 0.000 2.389 260 V HA 0.235 4.355 4.120 -0.000 0.000 0.264 260 V C 0.605 176.536 176.094 -0.271 0.000 1.049 260 V CA -0.335 61.709 62.300 -0.426 0.000 0.932 260 V CB 0.530 31.974 31.823 -0.631 0.000 1.011 260 V HN 0.561 nan 8.190 nan 0.000 0.475 261 L N 3.931 125.016 121.223 -0.230 0.000 2.400 261 L HA 0.392 4.732 4.340 -0.000 0.000 0.264 261 L C 1.269 178.065 176.870 -0.123 0.000 1.061 261 L CA -0.746 54.011 54.840 -0.138 0.000 0.799 261 L CB 0.831 42.835 42.059 -0.092 0.000 1.240 261 L HN 0.473 nan 8.230 nan 0.000 0.461 262 L N 1.109 122.291 121.223 -0.068 0.000 2.217 262 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 262 L C 2.562 179.425 176.870 -0.012 0.000 1.107 262 L CA 1.521 56.342 54.840 -0.031 0.000 0.783 262 L CB -0.841 41.220 42.059 0.003 0.000 0.919 262 L HN 0.673 nan 8.230 nan 0.000 0.442 263 R N -0.502 119.990 120.500 -0.013 0.000 2.115 263 R HA -0.124 4.216 4.340 -0.000 0.000 0.226 263 R C 1.147 177.447 176.300 -0.000 0.000 1.100 263 R CA 1.606 57.709 56.100 0.004 0.000 0.980 263 R CB -0.664 29.640 30.300 0.006 0.000 0.875 263 R HN 0.356 nan 8.270 nan 0.000 0.445 264 D N 0.901 121.278 120.400 -0.039 0.000 2.348 264 D HA -0.084 4.556 4.640 -0.000 0.000 0.216 264 D C 1.616 177.916 176.300 0.000 0.000 0.970 264 D CA 1.083 55.059 54.000 -0.040 0.000 0.889 264 D CB 0.488 41.205 40.800 -0.138 0.000 0.912 264 D HN 0.311 nan 8.370 nan 0.000 0.524 265 V N -2.372 117.539 119.914 -0.005 0.000 3.612 265 V HA 0.584 4.704 4.120 -0.000 0.000 0.268 265 V C 0.245 176.374 176.094 0.059 0.000 1.365 265 V CA 0.565 62.895 62.300 0.051 0.000 1.044 265 V CB 0.633 32.479 31.823 0.037 0.000 0.820 265 V HN 0.010 nan 8.190 nan 0.000 0.444 266 A N 0.399 123.254 122.820 0.058 0.000 2.549 266 A HA 0.629 4.949 4.320 -0.000 0.000 0.297 266 A C -0.612 177.028 177.584 0.094 0.000 1.061 266 A CA -0.758 51.332 52.037 0.089 0.000 0.690 266 A CB 1.493 20.541 19.000 0.080 0.000 1.287 266 A HN 0.310 nan 8.150 nan 0.000 0.402 267 K N 1.393 121.884 120.400 0.152 0.000 2.326 267 K HA 0.523 4.842 4.320 -0.000 0.000 0.275 267 K C -1.113 175.557 176.600 0.116 0.000 1.018 267 K CA 0.085 56.471 56.287 0.165 0.000 0.962 267 K CB 0.273 32.928 32.500 0.258 0.000 0.953 267 K HN 0.589 nan 8.250 nan 0.000 0.475 268 I N 4.634 125.242 120.570 0.065 0.000 2.468 268 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 268 I C -0.693 175.411 176.117 -0.021 0.000 1.038 268 I CA -0.568 60.711 61.300 -0.035 0.000 1.083 268 I CB 1.692 39.669 38.000 -0.039 0.000 1.223 268 I HN 0.723 nan 8.210 nan 0.000 0.443 269 E N 6.120 126.294 120.200 -0.044 0.000 2.343 269 E HA 0.457 4.807 4.350 -0.000 0.000 0.270 269 E C -1.472 175.055 176.600 -0.122 0.000 0.895 269 E CA -1.065 55.323 56.400 -0.020 0.000 0.767 269 E CB 2.919 32.692 29.700 0.121 0.000 1.248 269 E HN 0.324 nan 8.360 nan 0.000 0.440 270 L N 2.623 123.735 121.223 -0.185 0.000 2.356 270 L HA 0.531 4.871 4.340 -0.000 0.000 0.282 270 L C -0.330 176.272 176.870 -0.447 0.000 1.132 270 L CA 0.495 55.126 54.840 -0.347 0.000 0.923 270 L CB 0.108 41.912 42.059 -0.424 0.000 1.278 270 L HN 0.731 nan 8.230 nan 0.000 0.436 271 G N 2.410 111.139 108.800 -0.119 0.000 2.680 271 G HA2 0.576 4.536 3.960 -0.000 0.000 0.290 271 G HA3 0.576 4.536 3.960 -0.000 0.000 0.290 271 G C -0.318 174.741 174.900 0.266 0.000 1.355 271 G CA -0.425 44.795 45.100 0.201 0.000 0.903 271 G HN 0.749 nan 8.290 nan 0.000 0.474 272 G N -1.013 107.864 108.800 0.128 0.000 2.647 272 G HA2 0.332 4.292 3.960 -0.000 0.000 0.234 272 G HA3 0.332 4.292 3.960 -0.000 0.000 0.234 272 G C 0.744 175.534 174.900 -0.184 0.000 1.252 272 G CA 0.492 45.502 45.100 -0.149 0.000 0.846 272 G HN 0.831 nan 8.290 nan 0.000 0.589 273 E N -0.617 119.496 120.200 -0.145 0.000 2.479 273 E HA 0.013 4.363 4.350 -0.000 0.000 0.193 273 E C 0.533 176.953 176.600 -0.300 0.000 1.049 273 E CA -0.179 56.094 56.400 -0.211 0.000 0.870 273 E CB 0.245 29.895 29.700 -0.083 0.000 0.944 273 E HN 0.379 nan 8.360 nan 0.000 0.492 274 N N 0.027 118.569 118.700 -0.263 0.000 2.616 274 N HA 0.025 4.765 4.740 -0.000 0.000 0.281 274 N C -1.439 173.961 175.510 -0.183 0.000 1.145 274 N CA -0.431 52.524 53.050 -0.158 0.000 0.919 274 N CB 0.942 39.346 38.487 -0.139 0.000 1.509 274 N HN 0.013 nan 8.380 nan 0.000 0.537 275 Y N 1.367 121.664 120.300 -0.005 0.000 2.571 275 Y HA 0.242 4.792 4.550 -0.000 0.000 0.275 275 Y C 1.450 177.351 175.900 0.002 0.000 1.179 275 Y CA -0.340 57.768 58.100 0.013 0.000 1.242 275 Y CB 0.428 38.904 38.460 0.028 0.000 1.126 275 Y HN 0.494 nan 8.280 nan 0.000 0.524 276 D N 0.916 121.374 120.400 0.097 0.000 2.149 276 D HA -0.024 4.615 4.640 -0.000 0.000 0.201 276 D C 0.518 176.854 176.300 0.060 0.000 0.972 276 D CA 1.214 55.254 54.000 0.066 0.000 0.835 276 D CB 0.307 41.126 40.800 0.030 0.000 0.966 276 D HN 0.401 nan 8.370 nan 0.000 0.476 277 I N -1.559 119.041 120.570 0.049 0.000 2.647 277 I HA 0.469 4.638 4.170 -0.000 0.000 0.295 277 I C -1.359 174.797 176.117 0.064 0.000 1.078 277 I CA -1.252 60.093 61.300 0.076 0.000 1.048 277 I CB 2.171 40.243 38.000 0.120 0.000 1.239 277 I HN -0.290 nan 8.210 nan 0.000 0.421 278 I N 3.031 123.633 120.570 0.053 0.000 2.644 278 I HA 0.913 5.083 4.170 -0.000 0.000 0.291 278 I C -0.328 175.764 176.117 -0.042 0.000 1.180 278 I CA -1.214 60.095 61.300 0.016 0.000 1.040 278 I CB 1.423 39.428 38.000 0.009 0.000 1.255 278 I HN 0.838 nan 8.210 nan 0.000 0.422 279 A N 3.340 126.101 122.820 -0.098 0.000 2.325 279 A HA 0.912 5.232 4.320 -0.000 0.000 0.333 279 A C -0.662 176.733 177.584 -0.317 0.000 1.155 279 A CA -0.485 51.379 52.037 -0.288 0.000 0.814 279 A CB 1.020 19.732 19.000 -0.481 0.000 1.206 279 A HN 0.741 nan 8.150 nan 0.000 0.482 280 E N 0.415 120.387 120.200 -0.381 0.000 2.191 280 E HA 0.413 4.763 4.350 -0.000 0.000 0.263 280 E C -1.651 174.766 176.600 -0.306 0.000 0.881 280 E CA -0.208 56.032 56.400 -0.266 0.000 0.757 280 E CB 1.451 31.047 29.700 -0.173 0.000 1.147 280 E HN 0.466 nan 8.360 nan 0.000 0.414 281 F N 5.276 125.021 119.950 -0.342 0.000 2.377 281 F HA 0.296 4.823 4.527 -0.000 0.000 0.360 281 F C 0.078 175.839 175.800 -0.065 0.000 1.147 281 F CA -0.627 57.266 58.000 -0.179 0.000 1.170 281 F CB -0.013 38.970 39.000 -0.029 0.000 1.339 281 F HN 0.488 nan 8.300 nan 0.000 0.552 282 N N 4.213 122.634 118.700 -0.464 0.000 2.758 282 N HA -0.200 4.539 4.740 -0.000 0.000 0.248 282 N C 0.919 176.312 175.510 -0.194 0.000 1.076 282 N CA 0.996 53.819 53.050 -0.378 0.000 0.696 282 N CB -1.393 36.760 38.487 -0.556 0.000 0.979 282 N HN 1.220 nan 8.380 nan 0.000 0.550 283 G N -0.264 108.456 108.800 -0.134 0.000 2.160 283 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.251 283 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.251 283 G C -0.218 174.647 174.900 -0.058 0.000 1.008 283 G CA 0.879 45.931 45.100 -0.080 0.000 0.724 283 G HN 0.683 nan 8.290 nan 0.000 0.514 284 Q N 0.258 120.031 119.800 -0.044 0.000 2.353 284 Q HA 0.557 4.897 4.340 -0.000 0.000 0.268 284 Q C -2.549 173.456 176.000 0.008 0.000 1.045 284 Q CA -2.521 53.285 55.803 0.005 0.000 0.811 284 Q CB 2.679 31.453 28.738 0.062 0.000 1.305 284 Q HN 0.161 nan 8.270 nan 0.000 0.447 285 P HA 0.141 nan 4.420 nan 0.000 0.267 285 P C -1.547 175.747 177.300 -0.010 0.000 1.209 285 P CA 0.221 63.311 63.100 -0.017 0.000 0.763 285 P CB 0.854 32.548 31.700 -0.009 0.000 0.816 286 A N 2.195 124.989 122.820 -0.043 0.000 2.574 286 A HA 0.619 4.939 4.320 -0.000 0.000 0.297 286 A C -0.616 176.954 177.584 -0.022 0.000 1.062 286 A CA -0.487 51.531 52.037 -0.031 0.000 0.686 286 A CB 1.589 20.568 19.000 -0.034 0.000 1.285 286 A HN 0.437 nan 8.150 nan 0.000 0.403 287 S N -0.434 115.298 115.700 0.053 0.000 2.759 287 S HA 0.973 5.443 4.470 -0.000 0.000 0.310 287 S C 0.155 174.907 174.600 0.253 0.000 1.123 287 S CA 0.228 58.512 58.200 0.140 0.000 0.959 287 S CB 1.812 65.050 63.200 0.064 0.000 1.172 287 S HN 2.316 nan 8.310 nan 0.000 0.539 288 G N -0.084 108.909 108.800 0.322 0.000 2.427 288 G HA2 0.480 4.440 3.960 -0.000 0.000 0.306 288 G HA3 0.480 4.440 3.960 -0.000 0.000 0.306 288 G C -2.338 172.704 174.900 0.236 0.000 1.280 288 G CA -0.708 44.543 45.100 0.251 0.000 0.837 288 G HN 0.715 nan 8.290 nan 0.000 0.482 289 L N 1.345 122.636 121.223 0.113 0.000 2.427 289 L HA 0.512 4.852 4.340 -0.000 0.000 0.264 289 L C 0.696 177.554 176.870 -0.020 0.000 0.989 289 L CA -0.683 54.166 54.840 0.016 0.000 0.865 289 L CB 1.978 44.026 42.059 -0.019 0.000 1.209 289 L HN 0.747 nan 8.230 nan 0.000 0.430 290 G N 4.310 113.055 108.800 -0.092 0.000 2.985 290 G HA2 0.395 4.355 3.960 -0.000 0.000 0.282 290 G HA3 0.395 4.355 3.960 -0.000 0.000 0.282 290 G C 0.084 174.896 174.900 -0.147 0.000 0.791 290 G CA -0.254 44.658 45.100 -0.313 0.000 1.934 290 G HN 0.404 nan 8.290 nan 0.000 0.563 291 I N 1.044 121.622 120.570 0.014 0.000 2.692 291 I HA 0.235 4.404 4.170 -0.000 0.000 0.284 291 I C 0.631 176.916 176.117 0.280 0.000 1.159 291 I CA 0.214 61.587 61.300 0.121 0.000 1.423 291 I CB 1.197 39.249 38.000 0.087 0.000 1.380 291 I HN 0.419 nan 8.210 nan 0.000 0.580 292 K N 6.353 126.905 120.400 0.254 0.000 2.375 292 K HA 0.565 4.885 4.320 -0.000 0.000 0.249 292 K C -1.112 175.572 176.600 0.140 0.000 0.942 292 K CA -0.779 55.653 56.287 0.241 0.000 0.806 292 K CB 1.469 34.111 32.500 0.236 0.000 1.227 292 K HN 0.485 nan 8.250 nan 0.000 0.430 293 L N 1.579 122.871 121.223 0.114 0.000 2.476 293 L HA 0.313 4.653 4.340 -0.000 0.000 0.255 293 L C 0.329 177.240 176.870 0.069 0.000 1.218 293 L CA -0.007 54.886 54.840 0.088 0.000 0.819 293 L CB 1.229 43.338 42.059 0.084 0.000 1.119 293 L HN 1.052 nan 8.230 nan 0.000 0.485 294 A N 0.178 123.032 122.820 0.057 0.000 2.793 294 A HA 0.293 4.613 4.320 -0.000 0.000 0.301 294 A C 0.499 178.104 177.584 0.035 0.000 1.172 294 A CA -0.042 52.020 52.037 0.043 0.000 0.973 294 A CB -0.280 18.742 19.000 0.036 0.000 1.164 294 A HN 0.840 nan 8.150 nan 0.000 0.542 295 T N -0.908 113.671 114.554 0.040 0.000 3.970 295 T HA -0.159 4.190 4.350 -0.000 0.000 0.361 295 T C 1.259 175.976 174.700 0.027 0.000 0.758 295 T CA 1.632 63.753 62.100 0.035 0.000 1.940 295 T CB -1.824 67.061 68.868 0.029 0.000 1.821 295 T HN 2.102 nan 8.240 nan 0.000 0.818 296 G N -1.262 107.559 108.800 0.035 0.000 3.033 296 G HA2 0.367 4.327 3.960 -0.000 0.000 0.208 296 G HA3 0.367 4.327 3.960 -0.000 0.000 0.208 296 G C 0.387 175.307 174.900 0.035 0.000 1.006 296 G CA 0.423 45.542 45.100 0.031 0.000 0.808 296 G HN 1.559 nan 8.290 nan 0.000 0.499 297 A N 0.580 123.423 122.820 0.037 0.000 2.504 297 A HA 0.406 4.725 4.320 -0.000 0.000 0.242 297 A C 1.086 178.698 177.584 0.047 0.000 1.100 297 A CA 0.970 53.031 52.037 0.040 0.000 0.786 297 A CB 0.053 19.080 19.000 0.045 0.000 1.050 297 A HN 0.379 nan 8.150 nan 0.000 0.512 298 N N 0.841 119.566 118.700 0.043 0.000 2.313 298 N HA 0.267 5.007 4.740 -0.000 0.000 0.207 298 N C 1.195 176.736 175.510 0.051 0.000 1.141 298 N CA 0.801 53.878 53.050 0.044 0.000 0.830 298 N CB -0.057 38.451 38.487 0.034 0.000 1.008 298 N HN 0.943 nan 8.380 nan 0.000 0.481 299 A N 2.137 124.994 122.820 0.062 0.000 5.123 299 A HA -0.335 3.985 4.320 -0.000 0.000 0.337 299 A C 1.586 179.209 177.584 0.064 0.000 1.775 299 A CA 1.895 53.976 52.037 0.073 0.000 0.704 299 A CB -1.673 17.379 19.000 0.087 0.000 1.426 299 A HN 0.397 nan 8.150 nan 0.000 0.391 300 L N -0.442 120.817 121.223 0.059 0.000 2.353 300 L HA -0.062 4.277 4.340 -0.000 0.000 0.220 300 L C 1.572 178.464 176.870 0.036 0.000 1.133 300 L CA 2.961 57.831 54.840 0.049 0.000 0.798 300 L CB -0.484 41.600 42.059 0.042 0.000 0.922 300 L HN 0.565 nan 8.230 nan 0.000 0.445 301 D N -0.536 119.884 120.400 0.032 0.000 2.137 301 D HA -0.115 4.525 4.640 -0.000 0.000 0.202 301 D C 2.134 178.452 176.300 0.030 0.000 0.970 301 D CA 1.646 55.660 54.000 0.025 0.000 0.837 301 D CB -0.482 40.330 40.800 0.020 0.000 0.981 301 D HN 0.341 nan 8.370 nan 0.000 0.475 302 T N 0.927 115.504 114.554 0.038 0.000 2.684 302 T HA -0.136 4.213 4.350 -0.000 0.000 0.267 302 T C 1.946 176.675 174.700 0.048 0.000 1.036 302 T CA 1.699 63.825 62.100 0.043 0.000 1.148 302 T CB -0.232 68.666 68.868 0.050 0.000 0.863 302 T HN 0.219 nan 8.240 nan 0.000 0.436 303 A N 0.678 123.531 122.820 0.055 0.000 2.119 303 A HA 0.400 4.720 4.320 -0.000 0.000 0.217 303 A C 2.486 180.099 177.584 0.048 0.000 1.153 303 A CA 1.362 53.435 52.037 0.061 0.000 0.692 303 A CB -0.648 18.394 19.000 0.071 0.000 0.799 303 A HN 0.488 nan 8.150 nan 0.000 0.458 304 A N -0.139 122.702 122.820 0.034 0.000 1.930 304 A HA 0.266 4.586 4.320 -0.000 0.000 0.217 304 A C 2.239 179.838 177.584 0.025 0.000 1.175 304 A CA 1.592 53.642 52.037 0.022 0.000 0.627 304 A CB -0.625 18.383 19.000 0.013 0.000 0.815 304 A HN 0.994 nan 8.150 nan 0.000 0.443 305 A N -0.935 121.903 122.820 0.029 0.000 2.251 305 A HA 0.339 4.659 4.320 -0.000 0.000 0.209 305 A C 1.776 179.384 177.584 0.039 0.000 1.187 305 A CA 0.277 52.332 52.037 0.029 0.000 0.823 305 A CB -0.469 18.546 19.000 0.025 0.000 0.846 305 A HN 0.461 nan 8.150 nan 0.000 0.486 306 I N -1.019 119.580 120.570 0.049 0.000 2.353 306 I HA -0.146 4.023 4.170 -0.000 0.000 0.248 306 I C 2.505 178.666 176.117 0.073 0.000 1.119 306 I CA 1.078 62.414 61.300 0.062 0.000 1.417 306 I CB -0.002 38.043 38.000 0.075 0.000 1.078 306 I HN 0.235 nan 8.210 nan 0.000 0.421 307 R N 1.390 121.932 120.500 0.070 0.000 2.275 307 R HA 0.081 4.421 4.340 -0.000 0.000 0.199 307 R C 1.907 178.236 176.300 0.048 0.000 0.989 307 R CA 1.117 57.261 56.100 0.074 0.000 1.016 307 R CB -0.452 29.880 30.300 0.053 0.000 0.918 307 R HN 0.299 nan 8.270 nan 0.000 0.473 308 A N 0.474 123.317 122.820 0.037 0.000 1.855 308 A HA -0.076 4.243 4.320 -0.000 0.000 0.215 308 A C 1.893 179.497 177.584 0.033 0.000 1.191 308 A CA 1.351 53.405 52.037 0.028 0.000 0.613 308 A CB -0.450 18.564 19.000 0.023 0.000 0.829 308 A HN 0.250 nan 8.150 nan 0.000 0.442 309 E N -0.180 120.043 120.200 0.039 0.000 2.051 309 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 309 E C 2.005 178.638 176.600 0.054 0.000 0.991 309 E CA 1.080 57.505 56.400 0.043 0.000 0.799 309 E CB -0.608 29.115 29.700 0.039 0.000 0.748 309 E HN 0.584 nan 8.360 nan 0.000 0.449 310 L N -0.055 121.207 121.223 0.064 0.000 2.191 310 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 310 L C 2.045 178.940 176.870 0.042 0.000 1.103 310 L CA 1.475 56.363 54.840 0.080 0.000 0.769 310 L CB -0.161 41.963 42.059 0.109 0.000 0.908 310 L HN 0.096 nan 8.230 nan 0.000 0.438 311 A N -0.670 122.166 122.820 0.027 0.000 1.968 311 A HA -0.114 4.205 4.320 -0.000 0.000 0.217 311 A C 2.087 179.648 177.584 -0.037 0.000 1.169 311 A CA 1.024 53.054 52.037 -0.012 0.000 0.638 311 A CB -0.212 18.786 19.000 -0.003 0.000 0.812 311 A HN 0.296 nan 8.150 nan 0.000 0.446 312 K N -0.986 119.421 120.400 0.012 0.000 2.432 312 K HA 0.151 4.471 4.320 -0.000 0.000 0.196 312 K C 1.449 178.119 176.600 0.118 0.000 1.038 312 K CA 0.633 56.956 56.287 0.059 0.000 0.986 312 K CB -0.173 32.382 32.500 0.092 0.000 0.782 312 K HN 0.515 nan 8.250 nan 0.000 0.485 313 M N 0.610 120.241 119.600 0.053 0.000 2.357 313 M HA -0.052 4.428 4.480 -0.000 0.000 0.266 313 M C 1.680 177.802 176.300 -0.297 0.000 1.095 313 M CA 1.153 56.519 55.300 0.109 0.000 1.156 313 M CB 0.099 32.823 32.600 0.207 0.000 1.365 313 M HN 0.071 nan 8.290 nan 0.000 0.447 314 E N 0.350 120.158 120.200 -0.654 0.000 2.086 314 E HA -0.230 4.120 4.350 -0.000 0.000 0.200 314 E C -0.841 175.198 176.600 -0.935 0.000 1.012 314 E CA 1.396 57.037 56.400 -1.264 0.000 0.812 314 E CB -1.799 27.545 29.700 -0.592 0.000 0.743 314 E HN 0.419 nan 8.360 nan 0.000 0.453 315 P HA -0.148 nan 4.420 nan 0.000 0.219 315 P C 0.293 177.230 177.300 -0.605 0.000 1.146 315 P CA 1.134 63.847 63.100 -0.645 0.000 0.808 315 P CB -0.097 31.074 31.700 -0.881 0.000 0.779 316 F N -2.253 117.693 119.950 -0.008 0.000 2.916 316 F HA 0.266 4.793 4.527 -0.000 0.000 0.294 316 F C 0.532 176.573 175.800 0.402 0.000 1.189 316 F CA -0.787 57.308 58.000 0.159 0.000 1.369 316 F CB -0.496 38.599 39.000 0.157 0.000 0.961 316 F HN -0.242 nan 8.300 nan 0.000 0.508 317 F N 1.537 121.588 119.950 0.170 0.000 2.385 317 F HA 0.492 5.019 4.527 -0.000 0.000 0.336 317 F C -1.413 174.372 175.800 -0.025 0.000 1.100 317 F CA -3.915 54.143 58.000 0.096 0.000 1.116 317 F CB 0.168 39.206 39.000 0.063 0.000 1.166 317 F HN -0.056 nan 8.300 nan 0.000 0.511 318 P HA 0.008 nan 4.420 nan 0.000 0.272 318 P C -0.539 176.751 177.300 -0.017 0.000 1.248 318 P CA -0.359 62.694 63.100 -0.078 0.000 0.799 318 P CB 0.378 31.928 31.700 -0.250 0.000 0.997 319 S N -0.475 115.215 115.700 -0.017 0.000 2.516 319 S HA 0.396 4.866 4.470 -0.000 0.000 0.282 319 S C 1.286 175.880 174.600 -0.011 0.000 1.286 319 S CA 0.781 58.982 58.200 0.002 0.000 1.066 319 S CB -1.143 62.058 63.200 0.002 0.000 0.884 319 S HN 0.834 nan 8.310 nan 0.000 0.491 320 G N 4.026 112.833 108.800 0.012 0.000 2.317 320 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.227 320 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.227 320 G C 0.166 175.074 174.900 0.013 0.000 1.042 320 G CA -0.067 45.039 45.100 0.010 0.000 0.623 320 G HN 0.701 nan 8.290 nan 0.000 0.509 321 L N 1.861 123.079 121.223 -0.008 0.000 2.638 321 L HA 0.382 4.721 4.340 -0.000 0.000 0.273 321 L C 0.556 177.516 176.870 0.150 0.000 1.147 321 L CA 0.959 55.778 54.840 -0.036 0.000 0.941 321 L CB 0.423 42.324 42.059 -0.264 0.000 1.251 321 L HN 0.502 nan 8.230 nan 0.000 0.479 322 K N 5.012 125.471 120.400 0.099 0.000 2.371 322 K HA 0.525 4.845 4.320 -0.000 0.000 0.251 322 K C -0.676 175.970 176.600 0.077 0.000 0.934 322 K CA -0.796 55.574 56.287 0.138 0.000 0.798 322 K CB 1.911 34.462 32.500 0.085 0.000 1.204 322 K HN 0.392 nan 8.250 nan 0.000 0.427 323 I N 3.548 124.174 120.570 0.092 0.000 2.532 323 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 323 I C -0.269 175.740 176.117 -0.180 0.000 1.014 323 I CA -0.800 60.460 61.300 -0.066 0.000 1.340 323 I CB 1.518 39.489 38.000 -0.048 0.000 1.422 323 I HN 0.417 nan 8.210 nan 0.000 0.528 324 V N 6.848 126.518 119.914 -0.406 0.000 2.971 324 V HA 0.424 4.544 4.120 -0.000 0.000 0.309 324 V C -1.716 174.053 176.094 -0.541 0.000 1.130 324 V CA -0.417 61.663 62.300 -0.368 0.000 0.964 324 V CB 2.416 33.964 31.823 -0.459 0.000 1.029 324 V HN 0.535 nan 8.190 nan 0.000 0.427 325 Y N 6.843 127.085 120.300 -0.097 0.000 2.842 325 Y HA 0.546 5.096 4.550 -0.000 0.000 0.334 325 Y C -1.998 173.893 175.900 -0.016 0.000 1.019 325 Y CA -1.921 56.141 58.100 -0.063 0.000 1.258 325 Y CB 0.941 39.387 38.460 -0.023 0.000 1.106 325 Y HN 0.560 nan 8.280 nan 0.000 0.545 326 P HA 0.112 nan 4.420 nan 0.000 0.281 326 P C -0.696 176.671 177.300 0.110 0.000 1.281 326 P CA -0.658 62.519 63.100 0.129 0.000 0.811 326 P CB 1.006 32.806 31.700 0.168 0.000 1.154 327 Y N -0.133 120.156 120.300 -0.019 0.000 2.863 327 Y HA -0.239 4.311 4.550 -0.000 0.000 0.172 327 Y C -0.626 175.254 175.900 -0.034 0.000 1.629 327 Y CA 1.098 59.164 58.100 -0.057 0.000 1.049 327 Y CB -1.125 37.234 38.460 -0.168 0.000 1.628 327 Y HN 0.371 nan 8.280 nan 0.000 0.323 328 D N 2.978 123.317 120.400 -0.101 0.000 2.964 328 D HA 0.311 4.951 4.640 -0.000 0.000 0.234 328 D C 0.302 176.564 176.300 -0.062 0.000 1.223 328 D CA -0.106 53.886 54.000 -0.014 0.000 0.889 328 D CB 1.982 42.814 40.800 0.054 0.000 1.609 328 D HN 0.266 nan 8.370 nan 0.000 0.523 329 T N 1.376 115.929 114.554 -0.002 0.000 3.051 329 T HA 0.002 4.351 4.350 -0.000 0.000 0.255 329 T C 1.592 176.369 174.700 0.130 0.000 1.085 329 T CA 1.019 63.145 62.100 0.044 0.000 1.109 329 T CB 0.121 69.030 68.868 0.068 0.000 0.921 329 T HN 0.466 nan 8.240 nan 0.000 0.488 330 T N 2.853 117.464 114.554 0.095 0.000 2.624 330 T HA -0.105 4.244 4.350 -0.000 0.000 0.268 330 T C -0.730 174.036 174.700 0.110 0.000 1.041 330 T CA 1.798 63.949 62.100 0.086 0.000 1.159 330 T CB -0.919 67.973 68.868 0.040 0.000 0.863 330 T HN 0.420 nan 8.240 nan 0.000 0.434 331 P HA -0.004 nan 4.420 nan 0.000 0.226 331 P C 1.212 178.676 177.300 0.273 0.000 1.153 331 P CA 0.666 63.861 63.100 0.157 0.000 0.777 331 P CB -0.217 31.567 31.700 0.139 0.000 0.794 332 F N 0.768 120.810 119.950 0.154 0.000 2.186 332 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 332 F C 2.250 178.090 175.800 0.067 0.000 1.090 332 F CA 0.962 59.071 58.000 0.181 0.000 1.307 332 F CB -0.778 38.327 39.000 0.174 0.000 1.019 332 F HN -0.275 nan 8.300 nan 0.000 0.489 333 V N 0.010 119.966 119.914 0.070 0.000 2.667 333 V HA -0.216 3.904 4.120 -0.000 0.000 0.252 333 V C 2.220 178.273 176.094 -0.068 0.000 1.065 333 V CA 1.654 63.920 62.300 -0.057 0.000 1.083 333 V CB -0.345 31.481 31.823 0.005 0.000 0.692 333 V HN 0.248 nan 8.190 nan 0.000 0.468 334 K N -0.698 119.695 120.400 -0.011 0.000 2.211 334 K HA -0.080 4.240 4.320 -0.000 0.000 0.203 334 K C 1.784 178.376 176.600 -0.013 0.000 1.050 334 K CA 1.223 57.504 56.287 -0.008 0.000 0.945 334 K CB -0.075 32.431 32.500 0.012 0.000 0.732 334 K HN 0.353 nan 8.250 nan 0.000 0.451 335 I N 0.229 120.761 120.570 -0.064 0.000 2.584 335 I HA -0.145 4.025 4.170 -0.000 0.000 0.255 335 I C 1.626 177.614 176.117 -0.215 0.000 1.145 335 I CA 1.215 62.434 61.300 -0.135 0.000 1.462 335 I CB 0.203 38.045 38.000 -0.263 0.000 1.102 335 I HN -0.084 nan 8.210 nan 0.000 0.433 336 S N -0.169 115.356 115.700 -0.293 0.000 2.522 336 S HA 0.123 4.592 4.470 -0.000 0.000 0.227 336 S C 1.887 176.414 174.600 -0.122 0.000 0.986 336 S CA 0.727 58.764 58.200 -0.271 0.000 0.929 336 S CB -0.083 62.887 63.200 -0.383 0.000 0.769 336 S HN 0.349 nan 8.310 nan 0.000 0.529 337 I N 0.000 120.527 120.570 -0.073 0.000 2.556 337 I HA 0.015 4.185 4.170 -0.000 0.000 0.251 337 I C 2.136 178.265 176.117 0.019 0.000 1.105 337 I CA 0.765 62.055 61.300 -0.017 0.000 1.436 337 I CB -0.177 37.818 38.000 -0.009 0.000 1.139 337 I HN 0.219 nan 8.210 nan 0.000 0.438 338 H N 1.464 120.485 119.070 -0.080 0.000 2.559 338 H HA 0.104 4.660 4.556 -0.000 0.000 0.273 338 H C 0.021 175.296 175.328 -0.088 0.000 1.000 338 H CA 0.833 56.838 56.048 -0.072 0.000 1.195 338 H CB 0.131 29.855 29.762 -0.063 0.000 1.368 338 H HN 0.242 nan 8.280 nan 0.000 0.592 339 E N -0.294 119.825 120.200 -0.136 0.000 2.675 339 E HA 0.348 4.698 4.350 -0.000 0.000 0.236 339 E C -0.537 175.992 176.600 -0.117 0.000 1.059 339 E CA -0.168 56.123 56.400 -0.181 0.000 0.775 339 E CB 1.358 30.939 29.700 -0.197 0.000 1.356 339 E HN 0.129 nan 8.360 nan 0.000 0.403 340 V N 1.191 121.036 119.914 -0.114 0.000 4.880 340 V HA -0.219 3.901 4.120 -0.000 0.000 0.164 340 V C 1.190 177.242 176.094 -0.071 0.000 1.475 340 V CA 0.345 62.599 62.300 -0.076 0.000 1.031 340 V CB -0.203 31.627 31.823 0.011 0.000 0.797 340 V HN 0.391 nan 8.190 nan 0.000 0.659 341 V N 0.552 120.434 119.914 -0.052 0.000 2.667 341 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 341 V C 2.172 178.214 176.094 -0.087 0.000 1.065 341 V CA 2.622 64.898 62.300 -0.040 0.000 1.083 341 V CB -0.438 31.382 31.823 -0.005 0.000 0.692 341 V HN 0.519 nan 8.190 nan 0.000 0.468 342 K N 0.083 120.392 120.400 -0.151 0.000 2.007 342 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 342 K C 2.342 178.854 176.600 -0.146 0.000 1.047 342 K CA 1.803 57.981 56.287 -0.182 0.000 0.937 342 K CB -0.707 31.628 32.500 -0.276 0.000 0.718 342 K HN 0.335 nan 8.250 nan 0.000 0.438 343 T N 2.067 116.529 114.554 -0.152 0.000 2.652 343 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 343 T C 1.537 176.154 174.700 -0.137 0.000 1.039 343 T CA 1.431 63.437 62.100 -0.156 0.000 1.153 343 T CB -0.386 68.367 68.868 -0.192 0.000 0.863 343 T HN 0.202 nan 8.240 nan 0.000 0.428 344 L N 1.396 122.549 121.223 -0.117 0.000 2.011 344 L HA -0.181 4.159 4.340 -0.000 0.000 0.225 344 L C 2.425 179.248 176.870 -0.078 0.000 1.084 344 L CA 2.162 56.949 54.840 -0.088 0.000 0.791 344 L CB -1.285 40.744 42.059 -0.050 0.000 0.898 344 L HN 0.186 nan 8.230 nan 0.000 0.440 345 V N 0.408 120.277 119.914 -0.075 0.000 2.407 345 V HA -0.265 3.854 4.120 -0.000 0.000 0.248 345 V C 2.558 178.606 176.094 -0.076 0.000 1.055 345 V CA 2.048 64.306 62.300 -0.069 0.000 1.049 345 V CB -0.517 31.265 31.823 -0.069 0.000 0.662 345 V HN 0.524 nan 8.190 nan 0.000 0.455 346 E N -0.012 120.134 120.200 -0.090 0.000 2.274 346 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 346 E C 2.155 178.704 176.600 -0.086 0.000 0.996 346 E CA 0.956 57.304 56.400 -0.088 0.000 0.840 346 E CB -0.200 29.441 29.700 -0.099 0.000 0.772 346 E HN 0.618 nan 8.360 nan 0.000 0.491 347 A N 0.667 123.429 122.820 -0.097 0.000 2.021 347 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 347 A C 1.447 178.993 177.584 -0.063 0.000 1.163 347 A CA 0.380 52.356 52.037 -0.101 0.000 0.676 347 A CB -0.108 18.813 19.000 -0.130 0.000 0.818 347 A HN 0.019 nan 8.150 nan 0.000 0.453 348 I N -1.503 119.039 120.570 -0.047 0.000 3.080 348 I HA 0.087 4.257 4.170 -0.000 0.000 0.183 348 I C 1.867 177.976 176.117 -0.014 0.000 1.432 348 I CA -0.349 60.942 61.300 -0.016 0.000 0.614 348 I CB -0.152 37.838 38.000 -0.017 0.000 1.876 348 I HN 0.181 nan 8.210 nan 0.000 0.995 349 I N -0.537 120.021 120.570 -0.020 0.000 4.707 349 I HA -0.451 3.719 4.170 -0.000 0.000 0.051 349 I C 2.088 178.226 176.117 0.035 0.000 0.626 349 I CA 1.969 63.248 61.300 -0.034 0.000 0.655 349 I CB -1.507 36.451 38.000 -0.069 0.000 0.619 349 I HN 0.480 nan 8.210 nan 0.000 0.161 350 L N 0.350 121.576 121.223 0.004 0.000 2.129 350 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 350 L C 2.504 179.391 176.870 0.028 0.000 1.087 350 L CA 1.937 56.782 54.840 0.008 0.000 0.757 350 L CB -0.915 41.126 42.059 -0.031 0.000 0.896 350 L HN 0.301 nan 8.230 nan 0.000 0.434 351 V N 0.187 120.120 119.914 0.032 0.000 2.288 351 V HA -0.394 3.726 4.120 -0.000 0.000 0.229 351 V C 2.092 178.244 176.094 0.097 0.000 0.983 351 V CA 2.262 64.593 62.300 0.050 0.000 1.006 351 V CB -0.881 30.954 31.823 0.020 0.000 0.660 351 V HN 0.269 nan 8.190 nan 0.000 0.490 352 F N -0.828 119.098 119.950 -0.041 0.000 2.041 352 F HA -0.384 4.143 4.527 -0.000 0.000 0.265 352 F C 2.135 177.940 175.800 0.008 0.000 1.057 352 F CA 2.416 60.392 58.000 -0.039 0.000 1.441 352 F CB -0.517 38.446 39.000 -0.061 0.000 0.916 352 F HN 0.083 nan 8.300 nan 0.000 0.474 353 L N -0.651 120.708 121.223 0.227 0.000 1.955 353 L HA -0.248 4.092 4.340 -0.000 0.000 0.213 353 L C 2.482 179.428 176.870 0.126 0.000 1.072 353 L CA 2.060 57.002 54.840 0.169 0.000 0.755 353 L CB -1.502 40.633 42.059 0.126 0.000 0.888 353 L HN 0.101 nan 8.230 nan 0.000 0.432 354 V N -0.528 119.419 119.914 0.054 0.000 2.453 354 V HA -0.327 3.792 4.120 -0.000 0.000 0.252 354 V C 2.492 178.566 176.094 -0.033 0.000 1.068 354 V CA 1.704 63.990 62.300 -0.023 0.000 1.070 354 V CB -0.504 31.240 31.823 -0.130 0.000 0.664 354 V HN 0.359 nan 8.190 nan 0.000 0.461 355 M N -1.890 117.692 119.600 -0.029 0.000 2.394 355 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 355 M C 1.882 178.195 176.300 0.022 0.000 1.073 355 M CA 1.517 56.791 55.300 -0.043 0.000 1.111 355 M CB -0.359 32.168 32.600 -0.121 0.000 1.401 355 M HN 0.415 nan 8.290 nan 0.000 0.448 356 Y N -0.890 119.349 120.300 -0.102 0.000 2.301 356 Y HA -0.015 4.535 4.550 -0.000 0.000 0.295 356 Y C 1.871 177.794 175.900 0.037 0.000 1.119 356 Y CA 1.079 59.142 58.100 -0.062 0.000 1.162 356 Y CB 0.026 38.436 38.460 -0.085 0.000 1.046 356 Y HN -0.007 nan 8.280 nan 0.000 0.538 357 L N -0.947 120.404 121.223 0.213 0.000 2.081 357 L HA -0.294 4.045 4.340 -0.000 0.000 0.212 357 L C 1.845 178.816 176.870 0.168 0.000 1.080 357 L CA 2.096 57.071 54.840 0.225 0.000 0.754 357 L CB -0.966 41.299 42.059 0.343 0.000 0.893 357 L HN 0.263 nan 8.230 nan 0.000 0.433 358 F N -0.825 119.076 119.950 -0.082 0.000 2.505 358 F HA 0.146 4.673 4.527 -0.000 0.000 0.289 358 F C 0.994 176.787 175.800 -0.013 0.000 1.101 358 F CA 0.028 57.976 58.000 -0.087 0.000 1.446 358 F CB 0.137 39.117 39.000 -0.035 0.000 1.123 358 F HN -0.143 nan 8.300 nan 0.000 0.564 359 L N 1.172 122.491 121.223 0.159 0.000 2.377 359 L HA 0.339 4.679 4.340 -0.000 0.000 0.270 359 L C 1.097 177.921 176.870 -0.077 0.000 0.991 359 L CA -0.477 54.436 54.840 0.122 0.000 0.851 359 L CB 1.443 43.556 42.059 0.091 0.000 1.218 359 L HN 0.055 nan 8.230 nan 0.000 0.420 360 Q N 1.522 121.310 119.800 -0.020 0.000 2.364 360 Q HA -0.045 4.295 4.340 -0.000 0.000 0.207 360 Q C -0.160 175.648 176.000 -0.321 0.000 0.970 360 Q CA 0.780 56.352 55.803 -0.385 0.000 0.888 360 Q CB -0.079 28.642 28.738 -0.028 0.000 0.951 360 Q HN 0.675 nan 8.270 nan 0.000 0.469 361 N N 1.430 120.083 118.700 -0.079 0.000 2.414 361 N HA -0.052 4.688 4.740 -0.000 0.000 0.268 361 N C 0.056 175.632 175.510 0.110 0.000 1.286 361 N CA 0.073 53.146 53.050 0.038 0.000 0.896 361 N CB 0.328 38.842 38.487 0.046 0.000 1.093 361 N HN 0.178 nan 8.380 nan 0.000 0.480 362 F N 5.491 125.516 119.950 0.124 0.000 1.990 362 F HA -0.222 4.305 4.527 -0.000 0.000 0.294 362 F C 2.490 178.343 175.800 0.088 0.000 1.177 362 F CA 1.387 59.511 58.000 0.207 0.000 1.167 362 F CB -0.086 39.048 39.000 0.224 0.000 0.971 362 F HN 0.475 nan 8.300 nan 0.000 0.483 363 R N 1.347 122.038 120.500 0.318 0.000 2.405 363 R HA -0.353 3.987 4.340 -0.000 0.000 0.255 363 R C 1.920 178.227 176.300 0.012 0.000 1.056 363 R CA 1.990 58.187 56.100 0.161 0.000 0.949 363 R CB -2.591 27.818 30.300 0.181 0.000 0.909 363 R HN 0.493 nan 8.270 nan 0.000 0.466 364 A N 0.975 123.791 122.820 -0.007 0.000 1.845 364 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 364 A C 1.700 179.212 177.584 -0.120 0.000 1.195 364 A CA 1.760 53.778 52.037 -0.032 0.000 0.616 364 A CB -0.859 18.138 19.000 -0.006 0.000 0.832 364 A HN 0.499 nan 8.150 nan 0.000 0.443 365 T N 0.539 114.945 114.554 -0.247 0.000 3.058 365 T HA 0.366 4.716 4.350 -0.000 0.000 0.249 365 T C 0.484 174.874 174.700 -0.517 0.000 0.949 365 T CA 0.777 62.602 62.100 -0.459 0.000 1.204 365 T CB -0.649 67.779 68.868 -0.734 0.000 0.963 365 T HN 0.393 nan 8.240 nan 0.000 0.634 366 L N 3.532 124.630 121.223 -0.208 0.000 1.247 366 L HA 0.042 4.381 4.340 -0.000 0.000 0.086 366 L C 1.586 178.460 176.870 0.006 0.000 1.423 366 L CA 0.396 55.200 54.840 -0.059 0.000 1.181 366 L CB -0.973 41.063 42.059 -0.038 0.000 2.435 366 L HN 0.445 nan 8.230 nan 0.000 0.460 367 I N 2.411 122.982 120.570 0.002 0.000 2.127 367 I HA -0.181 3.989 4.170 -0.000 0.000 0.241 367 I C -0.746 175.372 176.117 0.002 0.000 1.075 367 I CA 1.927 63.240 61.300 0.021 0.000 1.334 367 I CB -1.269 36.751 38.000 0.034 0.000 1.040 367 I HN 0.242 nan 8.210 nan 0.000 0.405 368 P HA -0.128 nan 4.420 nan 0.000 0.218 368 P C 1.112 178.415 177.300 0.004 0.000 1.148 368 P CA 1.445 64.541 63.100 -0.007 0.000 0.822 368 P CB -0.220 31.469 31.700 -0.018 0.000 0.784 369 T N -1.505 113.061 114.554 0.021 0.000 3.317 369 T HA 0.189 4.539 4.350 -0.000 0.000 0.250 369 T C 1.279 175.992 174.700 0.021 0.000 1.106 369 T CA 0.536 62.666 62.100 0.050 0.000 0.986 369 T CB -0.504 68.446 68.868 0.138 0.000 1.010 369 T HN 0.141 nan 8.240 nan 0.000 0.560 370 I N -0.553 120.010 120.570 -0.010 0.000 4.046 370 I HA 0.216 4.386 4.170 -0.000 0.000 0.285 370 I C 2.680 178.754 176.117 -0.071 0.000 1.183 370 I CA 0.146 61.412 61.300 -0.057 0.000 1.337 370 I CB -0.802 37.136 38.000 -0.102 0.000 1.478 370 I HN 0.121 nan 8.210 nan 0.000 0.452 371 A N 2.307 125.094 122.820 -0.054 0.000 1.887 371 A HA -0.328 3.992 4.320 -0.000 0.000 0.225 371 A C 2.370 179.932 177.584 -0.037 0.000 1.464 371 A CA 3.897 55.909 52.037 -0.041 0.000 0.717 371 A CB -1.466 17.523 19.000 -0.019 0.000 0.848 371 A HN 0.405 nan 8.150 nan 0.000 0.477 372 V N -3.077 116.822 119.914 -0.025 0.000 2.488 372 V HA -0.045 4.075 4.120 -0.000 0.000 0.246 372 V C -0.038 176.039 176.094 -0.027 0.000 1.046 372 V CA 1.287 63.574 62.300 -0.022 0.000 1.053 372 V CB -2.183 29.632 31.823 -0.015 0.000 0.679 372 V HN 0.449 nan 8.190 nan 0.000 0.458 373 P HA -0.127 nan 4.420 nan 0.000 0.216 373 P C 2.070 179.361 177.300 -0.016 0.000 1.153 373 P CA 1.725 64.817 63.100 -0.014 0.000 0.858 373 P CB -0.214 31.477 31.700 -0.014 0.000 0.789 374 V N -0.126 119.765 119.914 -0.039 0.000 2.490 374 V HA -0.183 3.937 4.120 -0.000 0.000 0.250 374 V C 2.732 178.809 176.094 -0.029 0.000 1.061 374 V CA 1.650 63.925 62.300 -0.041 0.000 1.064 374 V CB -0.963 30.813 31.823 -0.079 0.000 0.670 374 V HN -0.045 nan 8.190 nan 0.000 0.461 375 V N -0.725 119.167 119.914 -0.036 0.000 2.323 375 V HA -0.195 3.924 4.120 -0.000 0.000 0.244 375 V C 2.293 178.341 176.094 -0.078 0.000 1.041 375 V CA 1.524 63.800 62.300 -0.040 0.000 1.025 375 V CB -0.613 31.190 31.823 -0.032 0.000 0.656 375 V HN 0.396 nan 8.190 nan 0.000 0.451 376 L N -0.345 120.819 121.223 -0.098 0.000 2.034 376 L HA -0.262 4.077 4.340 -0.000 0.000 0.217 376 L C 2.454 179.171 176.870 -0.255 0.000 1.077 376 L CA 1.870 56.586 54.840 -0.206 0.000 0.769 376 L CB -0.565 41.433 42.059 -0.102 0.000 0.890 376 L HN 0.302 nan 8.230 nan 0.000 0.435 377 L N -1.371 119.853 121.223 0.001 0.000 2.005 377 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 377 L C 2.654 179.599 176.870 0.125 0.000 1.072 377 L CA 1.502 56.453 54.840 0.185 0.000 0.744 377 L CB -1.458 40.681 42.059 0.134 0.000 0.895 377 L HN 0.371 nan 8.230 nan 0.000 0.433 378 G N -1.101 107.720 108.800 0.035 0.000 2.448 378 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.219 378 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.219 378 G C 1.628 176.543 174.900 0.025 0.000 1.127 378 G CA 1.217 46.338 45.100 0.034 0.000 0.766 378 G HN 0.238 nan 8.290 nan 0.000 0.552 379 T N 0.258 114.780 114.554 -0.053 0.000 2.857 379 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 379 T C 1.996 176.683 174.700 -0.022 0.000 1.048 379 T CA 0.526 62.583 62.100 -0.072 0.000 1.139 379 T CB -0.281 68.480 68.868 -0.178 0.000 0.874 379 T HN 0.347 nan 8.240 nan 0.000 0.455 380 F N 1.346 121.328 119.950 0.054 0.000 2.161 380 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 380 F C 2.613 178.444 175.800 0.051 0.000 1.089 380 F CA 0.733 58.765 58.000 0.053 0.000 1.282 380 F CB -0.263 38.757 39.000 0.032 0.000 1.010 380 F HN 0.152 nan 8.300 nan 0.000 0.485 381 A N -0.418 122.530 122.820 0.214 0.000 2.015 381 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 381 A C 2.143 179.767 177.584 0.067 0.000 1.163 381 A CA 1.488 53.593 52.037 0.114 0.000 0.646 381 A CB -0.866 18.178 19.000 0.073 0.000 0.806 381 A HN 0.201 nan 8.150 nan 0.000 0.448 382 V N -0.118 119.851 119.914 0.092 0.000 2.878 382 V HA -0.091 4.029 4.120 -0.000 0.000 0.250 382 V C 2.332 178.545 176.094 0.198 0.000 1.075 382 V CA 1.192 63.541 62.300 0.081 0.000 1.096 382 V CB -0.590 31.324 31.823 0.151 0.000 0.724 382 V HN 0.541 nan 8.190 nan 0.000 0.467 383 L N 0.537 121.922 121.223 0.270 0.000 2.109 383 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 383 L C 2.757 179.743 176.870 0.192 0.000 1.086 383 L CA 1.401 56.478 54.840 0.395 0.000 0.760 383 L CB -0.871 41.441 42.059 0.422 0.000 0.910 383 L HN 0.324 nan 8.230 nan 0.000 0.437 384 A N 0.415 123.312 122.820 0.128 0.000 1.933 384 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 384 A C 2.508 180.072 177.584 -0.033 0.000 1.175 384 A CA 1.714 53.778 52.037 0.046 0.000 0.628 384 A CB -0.575 18.454 19.000 0.047 0.000 0.814 384 A HN 0.386 nan 8.150 nan 0.000 0.444 385 A N -2.049 120.724 122.820 -0.079 0.000 2.016 385 A HA 0.187 4.507 4.320 -0.000 0.000 0.217 385 A C 1.835 179.262 177.584 -0.262 0.000 1.162 385 A CA 0.957 52.874 52.037 -0.199 0.000 0.662 385 A CB -0.494 18.325 19.000 -0.302 0.000 0.812 385 A HN 0.519 nan 8.150 nan 0.000 0.450 386 F N -1.841 118.003 119.950 -0.177 0.000 2.714 386 F HA 0.318 4.845 4.527 -0.000 0.000 0.294 386 F C 1.951 177.398 175.800 -0.588 0.000 1.120 386 F CA 0.648 58.449 58.000 -0.332 0.000 1.398 386 F CB 0.820 39.626 39.000 -0.323 0.000 1.120 386 F HN 0.410 nan 8.300 nan 0.000 0.589 387 G N -0.186 108.387 108.800 -0.380 0.000 2.905 387 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.196 387 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.196 387 G C 0.261 175.006 174.900 -0.258 0.000 1.044 387 G CA -0.503 44.389 45.100 -0.347 0.000 0.778 387 G HN 0.101 nan 8.290 nan 0.000 0.474 388 F N 2.732 122.735 119.950 0.087 0.000 2.426 388 F HA 0.602 5.129 4.527 -0.000 0.000 0.309 388 F C 1.286 177.123 175.800 0.062 0.000 1.246 388 F CA 0.085 58.120 58.000 0.057 0.000 1.229 388 F CB 0.437 39.465 39.000 0.047 0.000 1.255 388 F HN 0.347 nan 8.300 nan 0.000 0.558 389 S N -0.571 115.289 115.700 0.266 0.000 2.806 389 S HA 0.610 5.080 4.470 -0.000 0.000 0.315 389 S C -0.543 174.151 174.600 0.155 0.000 1.127 389 S CA -1.004 57.292 58.200 0.161 0.000 0.918 389 S CB 1.079 64.341 63.200 0.104 0.000 1.240 389 S HN 0.488 nan 8.310 nan 0.000 0.552 390 I N 2.678 123.313 120.570 0.109 0.000 2.366 390 I HA 0.131 4.301 4.170 -0.000 0.000 0.302 390 I C 0.094 176.239 176.117 0.047 0.000 1.194 390 I CA -0.265 61.096 61.300 0.101 0.000 1.667 390 I CB -1.153 36.879 38.000 0.054 0.000 1.501 390 I HN 0.430 nan 8.210 nan 0.000 0.776 391 N N 2.705 121.427 118.700 0.037 0.000 2.408 391 N HA 0.145 4.885 4.740 -0.000 0.000 0.260 391 N C 1.325 176.780 175.510 -0.092 0.000 1.242 391 N CA -0.151 52.882 53.050 -0.028 0.000 0.959 391 N CB 0.845 39.322 38.487 -0.016 0.000 1.201 391 N HN 0.250 nan 8.380 nan 0.000 0.511 392 T N 0.765 115.181 114.554 -0.230 0.000 2.759 392 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 392 T C 1.929 176.476 174.700 -0.256 0.000 1.042 392 T CA 0.920 62.807 62.100 -0.355 0.000 1.140 392 T CB -0.142 68.299 68.868 -0.711 0.000 0.864 392 T HN 0.299 nan 8.240 nan 0.000 0.455 393 L N 0.848 121.983 121.223 -0.148 0.000 1.988 393 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 393 L C 3.072 179.952 176.870 0.016 0.000 1.071 393 L CA 1.946 56.760 54.840 -0.043 0.000 0.744 393 L CB -0.895 41.135 42.059 -0.048 0.000 0.893 393 L HN 0.441 nan 8.230 nan 0.000 0.433 394 T N -3.124 111.422 114.554 -0.014 0.000 2.849 394 T HA -0.229 4.121 4.350 -0.000 0.000 0.270 394 T C 1.805 176.538 174.700 0.056 0.000 1.066 394 T CA 1.008 63.108 62.100 -0.001 0.000 1.130 394 T CB -0.165 68.712 68.868 0.014 0.000 0.864 394 T HN 0.073 nan 8.240 nan 0.000 0.481 395 M N 0.144 119.800 119.600 0.093 0.000 2.236 395 M HA 0.307 4.787 4.480 -0.000 0.000 0.266 395 M C 1.974 178.397 176.300 0.205 0.000 1.070 395 M CA 0.619 56.003 55.300 0.140 0.000 1.137 395 M CB -1.281 31.394 32.600 0.125 0.000 1.378 395 M HN 0.334 nan 8.290 nan 0.000 0.426 396 F N -0.193 119.734 119.950 -0.038 0.000 2.365 396 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 396 F C 2.147 177.930 175.800 -0.029 0.000 1.090 396 F CA 0.572 58.548 58.000 -0.040 0.000 1.408 396 F CB -0.105 38.891 39.000 -0.006 0.000 1.060 396 F HN 0.248 nan 8.300 nan 0.000 0.534 397 G N -0.941 107.935 108.800 0.126 0.000 2.880 397 G HA2 -0.077 3.882 3.960 -0.000 0.000 0.209 397 G HA3 -0.077 3.882 3.960 -0.000 0.000 0.209 397 G C 1.419 176.303 174.900 -0.027 0.000 1.157 397 G CA 0.029 45.142 45.100 0.021 0.000 0.779 397 G HN 0.094 nan 8.290 nan 0.000 0.539 398 M N 0.673 120.253 119.600 -0.032 0.000 2.506 398 M HA 0.127 4.607 4.480 -0.000 0.000 0.260 398 M C 2.117 178.373 176.300 -0.074 0.000 1.104 398 M CA 0.589 55.842 55.300 -0.080 0.000 1.112 398 M CB -0.111 32.433 32.600 -0.093 0.000 1.401 398 M HN 0.129 nan 8.290 nan 0.000 0.473 399 V N -0.812 119.051 119.914 -0.085 0.000 2.690 399 V HA -0.045 4.075 4.120 -0.000 0.000 0.240 399 V C 2.193 178.212 176.094 -0.125 0.000 1.078 399 V CA 0.407 62.620 62.300 -0.144 0.000 1.102 399 V CB -0.762 30.906 31.823 -0.259 0.000 0.800 399 V HN 0.250 nan 8.190 nan 0.000 0.479 400 L N 1.432 122.609 121.223 -0.076 0.000 2.187 400 L HA -0.047 4.292 4.340 -0.000 0.000 0.213 400 L C 2.371 179.296 176.870 0.092 0.000 1.100 400 L CA 2.149 57.004 54.840 0.024 0.000 0.765 400 L CB -0.821 41.279 42.059 0.068 0.000 0.904 400 L HN 0.256 nan 8.230 nan 0.000 0.437 401 A N -0.425 122.421 122.820 0.044 0.000 1.854 401 A HA -0.164 4.156 4.320 -0.000 0.000 0.214 401 A C 2.242 179.859 177.584 0.054 0.000 1.192 401 A CA 1.702 53.776 52.037 0.061 0.000 0.611 401 A CB -0.829 18.176 19.000 0.007 0.000 0.832 401 A HN 0.392 nan 8.150 nan 0.000 0.442 402 I N 0.147 120.713 120.570 -0.006 0.000 2.227 402 I HA -0.365 3.805 4.170 -0.000 0.000 0.250 402 I C 2.527 178.661 176.117 0.028 0.000 1.087 402 I CA 1.483 62.770 61.300 -0.022 0.000 1.352 402 I CB -0.386 37.566 38.000 -0.078 0.000 1.043 402 I HN 0.427 nan 8.210 nan 0.000 0.425 403 G N 0.074 108.926 108.800 0.087 0.000 2.524 403 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.215 403 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.215 403 G C 0.989 176.061 174.900 0.287 0.000 1.239 403 G CA 0.043 45.347 45.100 0.340 0.000 0.798 403 G HN 0.288 nan 8.290 nan 0.000 0.557 404 L N 1.150 122.513 121.223 0.233 0.000 2.376 404 L HA 0.421 4.761 4.340 -0.000 0.000 0.250 404 L C 0.452 177.366 176.870 0.073 0.000 1.335 404 L CA -0.047 54.855 54.840 0.104 0.000 1.214 404 L CB -0.103 42.008 42.059 0.086 0.000 1.395 404 L HN 0.328 nan 8.230 nan 0.000 0.424 405 L N 0.500 121.757 121.223 0.056 0.000 1.326 405 L HA -0.055 4.285 4.340 -0.000 0.000 0.115 405 L C 1.403 178.287 176.870 0.022 0.000 1.379 405 L CA 0.305 55.165 54.840 0.033 0.000 1.199 405 L CB -0.048 42.028 42.059 0.028 0.000 2.485 405 L HN 0.179 nan 8.230 nan 0.000 0.472 406 V N -1.467 118.466 119.914 0.031 0.000 2.788 406 V HA -0.109 4.010 4.120 -0.000 0.000 0.251 406 V C 1.872 177.976 176.094 0.017 0.000 1.068 406 V CA 1.803 64.115 62.300 0.020 0.000 1.090 406 V CB -0.519 31.315 31.823 0.018 0.000 0.710 406 V HN 0.437 nan 8.190 nan 0.000 0.467 407 D N 1.108 121.525 120.400 0.028 0.000 2.133 407 D HA -0.263 4.377 4.640 -0.000 0.000 0.195 407 D C 1.924 178.219 176.300 -0.008 0.000 0.997 407 D CA 1.793 55.794 54.000 0.002 0.000 0.840 407 D CB -0.241 40.553 40.800 -0.011 0.000 0.947 407 D HN 0.431 nan 8.370 nan 0.000 0.452 408 D N -1.128 119.271 120.400 -0.001 0.000 2.249 408 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 408 D C 1.757 178.061 176.300 0.006 0.000 0.962 408 D CA 0.809 54.808 54.000 -0.002 0.000 0.860 408 D CB 0.230 41.031 40.800 0.000 0.000 0.955 408 D HN 0.273 nan 8.370 nan 0.000 0.505 409 A N 0.961 123.786 122.820 0.007 0.000 1.831 409 A HA -0.061 4.259 4.320 -0.000 0.000 0.213 409 A C 2.336 179.927 177.584 0.012 0.000 1.223 409 A CA 0.594 52.636 52.037 0.009 0.000 0.604 409 A CB -0.905 18.097 19.000 0.003 0.000 0.878 409 A HN 0.181 nan 8.150 nan 0.000 0.450 410 I N -0.152 120.421 120.570 0.005 0.000 2.161 410 I HA -0.373 3.797 4.170 -0.000 0.000 0.246 410 I C 2.393 178.525 176.117 0.025 0.000 1.048 410 I CA 1.904 63.206 61.300 0.005 0.000 1.314 410 I CB -0.417 37.575 38.000 -0.014 0.000 1.014 410 I HN 0.214 nan 8.210 nan 0.000 0.418 411 V N 0.650 120.580 119.914 0.027 0.000 2.223 411 V HA -0.273 3.846 4.120 -0.000 0.000 0.244 411 V C 2.440 178.579 176.094 0.076 0.000 1.045 411 V CA 2.129 64.460 62.300 0.051 0.000 1.000 411 V CB -0.768 31.073 31.823 0.029 0.000 0.635 411 V HN 0.462 nan 8.190 nan 0.000 0.445 412 V N -1.168 118.784 119.914 0.063 0.000 2.453 412 V HA -0.232 3.888 4.120 -0.000 0.000 0.252 412 V C 2.196 178.329 176.094 0.065 0.000 1.068 412 V CA 2.147 64.489 62.300 0.070 0.000 1.070 412 V CB -1.274 30.582 31.823 0.055 0.000 0.664 412 V HN 0.315 nan 8.190 nan 0.000 0.461 413 V N 2.165 122.112 119.914 0.055 0.000 2.270 413 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 413 V C 2.744 178.874 176.094 0.061 0.000 1.043 413 V CA 2.310 64.640 62.300 0.051 0.000 1.014 413 V CB -0.797 31.048 31.823 0.036 0.000 0.645 413 V HN 0.834 nan 8.190 nan 0.000 0.447 414 E N 0.528 120.770 120.200 0.070 0.000 2.358 414 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 414 E C 1.641 178.298 176.600 0.095 0.000 1.010 414 E CA 1.437 57.889 56.400 0.086 0.000 0.856 414 E CB -0.669 29.090 29.700 0.098 0.000 0.795 414 E HN 0.608 nan 8.360 nan 0.000 0.504 415 N N -0.140 118.620 118.700 0.100 0.000 2.354 415 N HA -0.061 4.678 4.740 -0.000 0.000 0.179 415 N C 1.228 176.775 175.510 0.061 0.000 1.021 415 N CA 1.039 54.149 53.050 0.101 0.000 0.887 415 N CB 0.263 38.841 38.487 0.152 0.000 0.974 415 N HN 0.135 nan 8.380 nan 0.000 0.437 416 V N 0.098 120.048 119.914 0.059 0.000 2.358 416 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 416 V C 2.019 178.141 176.094 0.045 0.000 1.047 416 V CA 1.547 63.874 62.300 0.045 0.000 1.035 416 V CB -0.673 31.177 31.823 0.044 0.000 0.658 416 V HN 0.311 nan 8.190 nan 0.000 0.452 417 E N 0.630 120.865 120.200 0.058 0.000 2.265 417 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 417 E C 2.343 178.985 176.600 0.070 0.000 0.996 417 E CA 1.317 57.756 56.400 0.065 0.000 0.832 417 E CB -0.104 29.645 29.700 0.080 0.000 0.756 417 E HN 0.706 nan 8.360 nan 0.000 0.491 418 R N -0.549 119.991 120.500 0.067 0.000 2.075 418 R HA -0.039 4.300 4.340 -0.000 0.000 0.226 418 R C 1.977 178.300 176.300 0.040 0.000 1.114 418 R CA 1.346 57.484 56.100 0.064 0.000 0.972 418 R CB -0.520 29.812 30.300 0.053 0.000 0.869 418 R HN 0.045 nan 8.270 nan 0.000 0.437 419 V N 2.471 122.399 119.914 0.022 0.000 2.568 419 V HA -0.165 3.955 4.120 -0.000 0.000 0.253 419 V C 1.703 177.806 176.094 0.014 0.000 1.072 419 V CA 1.762 64.067 62.300 0.009 0.000 1.084 419 V CB -0.502 31.321 31.823 0.001 0.000 0.676 419 V HN 0.448 nan 8.190 nan 0.000 0.469 420 M N -0.739 118.875 119.600 0.023 0.000 3.443 420 M HA 0.649 5.129 4.480 -0.000 0.000 0.228 420 M C 0.345 176.659 176.300 0.022 0.000 1.227 420 M CA 0.549 55.861 55.300 0.019 0.000 1.321 420 M CB 0.280 32.892 32.600 0.020 0.000 1.134 420 M HN 0.157 nan 8.290 nan 0.000 0.567 421 A N -0.005 122.829 122.820 0.023 0.000 3.381 421 A HA 0.003 4.323 4.320 -0.000 0.000 0.198 421 A C 1.433 179.032 177.584 0.026 0.000 1.370 421 A CA 0.112 52.164 52.037 0.025 0.000 1.349 421 A CB -0.288 18.744 19.000 0.053 0.000 1.095 421 A HN 0.436 nan 8.150 nan 0.000 0.475 422 E N 0.825 121.051 120.200 0.043 0.000 2.160 422 E HA -0.166 4.183 4.350 -0.000 0.000 0.195 422 E C 0.049 176.656 176.600 0.013 0.000 0.991 422 E CA 1.535 57.957 56.400 0.037 0.000 0.810 422 E CB 0.036 29.759 29.700 0.039 0.000 0.742 422 E HN 0.644 nan 8.360 nan 0.000 0.466 423 E N -0.594 119.610 120.200 0.007 0.000 3.626 423 E HA 0.202 4.551 4.350 -0.000 0.000 0.245 423 E C -0.458 176.141 176.600 -0.002 0.000 1.236 423 E CA -0.240 56.159 56.400 -0.001 0.000 1.072 423 E CB 0.523 30.220 29.700 -0.006 0.000 1.309 423 E HN 0.183 nan 8.360 nan 0.000 0.400 424 G N 2.591 111.389 108.800 -0.003 0.000 2.502 424 G HA2 0.029 3.988 3.960 -0.000 0.000 0.280 424 G HA3 0.029 3.988 3.960 -0.000 0.000 0.280 424 G C 0.059 174.956 174.900 -0.005 0.000 0.611 424 G CA 0.358 45.455 45.100 -0.005 0.000 1.103 424 G HN 0.502 nan 8.290 nan 0.000 0.271 425 L N 4.919 126.142 121.223 -0.001 0.000 2.847 425 L HA 0.116 4.456 4.340 -0.000 0.000 0.243 425 L C -1.990 174.882 176.870 0.003 0.000 0.978 425 L CA -1.033 53.806 54.840 -0.001 0.000 1.030 425 L CB 2.126 44.183 42.059 -0.002 0.000 1.351 425 L HN 0.311 nan 8.230 nan 0.000 0.512 426 P HA -0.093 nan 4.420 nan 0.000 0.216 426 P C -1.892 175.412 177.300 0.008 0.000 1.154 426 P CA 1.052 64.157 63.100 0.007 0.000 0.865 426 P CB -0.732 30.971 31.700 0.005 0.000 0.789 427 P HA 0.022 nan 4.420 nan 0.000 0.293 427 P C 0.859 178.161 177.300 0.004 0.000 1.298 427 P CA -0.005 63.096 63.100 0.002 0.000 0.757 427 P CB 0.742 32.441 31.700 -0.002 0.000 1.262 428 K N -0.144 120.256 120.400 -0.000 0.000 2.089 428 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 428 K C 1.769 178.371 176.600 0.003 0.000 1.048 428 K CA 2.028 58.315 56.287 0.000 0.000 0.926 428 K CB -0.349 32.146 32.500 -0.007 0.000 0.714 428 K HN 0.418 nan 8.250 nan 0.000 0.448 429 E N 0.065 120.265 120.200 0.000 0.000 2.418 429 E HA -0.053 4.296 4.350 -0.000 0.000 0.197 429 E C 1.623 178.224 176.600 0.002 0.000 1.026 429 E CA 0.702 57.102 56.400 0.000 0.000 0.862 429 E CB 0.025 29.723 29.700 -0.003 0.000 0.799 429 E HN 0.337 nan 8.360 nan 0.000 0.518 430 A N 0.148 122.971 122.820 0.004 0.000 1.840 430 A HA -0.148 4.172 4.320 -0.000 0.000 0.214 430 A C 2.278 179.868 177.584 0.011 0.000 1.198 430 A CA 1.787 53.827 52.037 0.006 0.000 0.608 430 A CB -1.009 17.996 19.000 0.008 0.000 0.839 430 A HN 0.271 nan 8.150 nan 0.000 0.443 431 T N -0.279 114.285 114.554 0.016 0.000 2.714 431 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 431 T C 2.007 176.720 174.700 0.022 0.000 1.036 431 T CA 1.993 64.106 62.100 0.023 0.000 1.148 431 T CB -0.273 68.610 68.868 0.025 0.000 0.856 431 T HN 0.533 nan 8.240 nan 0.000 0.462 432 R N 0.873 121.382 120.500 0.015 0.000 2.062 432 R HA 0.042 4.382 4.340 -0.000 0.000 0.229 432 R C 1.776 178.083 176.300 0.012 0.000 1.128 432 R CA 1.125 57.233 56.100 0.013 0.000 0.960 432 R CB 0.026 30.331 30.300 0.008 0.000 0.855 432 R HN 0.079 nan 8.270 nan 0.000 0.432 433 K N -0.337 120.067 120.400 0.006 0.000 2.404 433 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 433 K C 1.420 178.018 176.600 -0.004 0.000 1.023 433 K CA 0.631 56.918 56.287 -0.001 0.000 1.094 433 K CB 0.711 33.207 32.500 -0.007 0.000 0.841 433 K HN 0.262 nan 8.250 nan 0.000 0.523 434 S N 0.256 115.960 115.700 0.006 0.000 2.404 434 S HA -0.042 4.428 4.470 -0.000 0.000 0.223 434 S C 1.582 176.204 174.600 0.037 0.000 1.040 434 S CA 0.277 58.482 58.200 0.008 0.000 0.957 434 S CB -0.255 62.957 63.200 0.020 0.000 0.826 434 S HN 0.353 nan 8.310 nan 0.000 0.491 435 M N 0.787 120.415 119.600 0.046 0.000 2.571 435 M HA 0.496 4.976 4.480 -0.000 0.000 0.235 435 M C 1.379 177.705 176.300 0.044 0.000 1.216 435 M CA 0.220 55.556 55.300 0.060 0.000 0.979 435 M CB -0.339 32.295 32.600 0.056 0.000 1.616 435 M HN 0.288 nan 8.290 nan 0.000 0.469 436 G N 0.535 109.353 108.800 0.030 0.000 2.453 436 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.215 436 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.215 436 G C 1.524 176.443 174.900 0.032 0.000 1.147 436 G CA 0.090 45.203 45.100 0.021 0.000 0.802 436 G HN 0.487 nan 8.290 nan 0.000 0.535 437 Q N -0.411 119.415 119.800 0.043 0.000 2.311 437 Q HA 0.114 4.454 4.340 -0.000 0.000 0.203 437 Q C 2.266 178.413 176.000 0.244 0.000 0.954 437 Q CA 0.658 56.512 55.803 0.085 0.000 0.885 437 Q CB 0.188 28.898 28.738 -0.046 0.000 0.963 437 Q HN 0.614 nan 8.270 nan 0.000 0.471 438 I N -0.943 119.744 120.570 0.196 0.000 3.300 438 I HA -0.103 4.067 4.170 -0.000 0.000 0.279 438 I C 2.356 178.520 176.117 0.079 0.000 1.172 438 I CA 0.045 61.461 61.300 0.192 0.000 1.431 438 I CB -0.354 37.758 38.000 0.186 0.000 1.240 438 I HN -0.005 nan 8.210 nan 0.000 0.453 439 Q N 2.266 122.099 119.800 0.056 0.000 2.182 439 Q HA -0.257 4.083 4.340 -0.000 0.000 0.213 439 Q C 2.041 178.042 176.000 0.001 0.000 1.000 439 Q CA 2.691 58.510 55.803 0.025 0.000 0.889 439 Q CB -0.556 28.194 28.738 0.019 0.000 0.932 439 Q HN 0.575 nan 8.270 nan 0.000 0.415 440 G N 0.359 109.151 108.800 -0.013 0.000 2.446 440 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 440 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 440 G C 1.427 176.285 174.900 -0.069 0.000 1.168 440 G CA 1.973 47.033 45.100 -0.067 0.000 0.771 440 G HN 0.620 nan 8.290 nan 0.000 0.551 441 A N 0.686 123.484 122.820 -0.037 0.000 1.904 441 A HA 0.054 4.374 4.320 -0.000 0.000 0.207 441 A C 2.275 179.855 177.584 -0.006 0.000 1.231 441 A CA 1.650 53.678 52.037 -0.016 0.000 0.655 441 A CB -1.026 17.941 19.000 -0.054 0.000 0.875 441 A HN 0.545 nan 8.150 nan 0.000 0.478 442 L N -1.702 119.514 121.223 -0.012 0.000 2.501 442 L HA -0.418 3.922 4.340 -0.000 0.000 0.229 442 L C 2.333 179.203 176.870 -0.000 0.000 1.143 442 L CA 2.327 57.165 54.840 -0.004 0.000 0.837 442 L CB -1.271 40.793 42.059 0.008 0.000 0.978 442 L HN 0.387 nan 8.230 nan 0.000 0.433 443 V N -0.996 118.919 119.914 0.002 0.000 2.346 443 V HA -0.094 4.026 4.120 -0.000 0.000 0.244 443 V C 2.484 178.585 176.094 0.011 0.000 1.037 443 V CA 1.913 64.216 62.300 0.006 0.000 1.029 443 V CB -0.953 30.872 31.823 0.003 0.000 0.663 443 V HN 0.621 nan 8.190 nan 0.000 0.454 444 G N 1.418 110.231 108.800 0.023 0.000 2.440 444 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 444 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 444 G C 1.520 176.446 174.900 0.044 0.000 1.154 444 G CA 1.395 46.534 45.100 0.065 0.000 0.767 444 G HN 0.673 nan 8.290 nan 0.000 0.552 445 I N -0.890 119.692 120.570 0.021 0.000 2.493 445 I HA 0.182 4.352 4.170 -0.000 0.000 0.254 445 I C 2.736 178.827 176.117 -0.043 0.000 1.160 445 I CA 1.196 62.482 61.300 -0.023 0.000 1.445 445 I CB -0.264 37.712 38.000 -0.040 0.000 1.086 445 I HN 0.100 nan 8.210 nan 0.000 0.433 446 A N 0.739 123.544 122.820 -0.024 0.000 2.119 446 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 446 A C 2.307 179.877 177.584 -0.023 0.000 1.153 446 A CA 1.141 53.163 52.037 -0.024 0.000 0.692 446 A CB -0.473 18.525 19.000 -0.003 0.000 0.799 446 A HN 0.562 nan 8.150 nan 0.000 0.458 447 M N -0.042 119.548 119.600 -0.017 0.000 2.428 447 M HA 0.047 4.527 4.480 -0.000 0.000 0.239 447 M C 1.308 177.590 176.300 -0.030 0.000 1.121 447 M CA 0.595 55.887 55.300 -0.012 0.000 1.019 447 M CB 0.339 32.941 32.600 0.005 0.000 1.485 447 M HN 0.355 nan 8.290 nan 0.000 0.484 448 V N -3.719 116.163 119.914 -0.055 0.000 3.048 448 V HA 0.021 4.141 4.120 -0.000 0.000 0.241 448 V C 1.864 177.881 176.094 -0.128 0.000 1.129 448 V CA -0.014 62.240 62.300 -0.075 0.000 1.128 448 V CB -0.691 31.084 31.823 -0.079 0.000 0.849 448 V HN 0.260 nan 8.190 nan 0.000 0.475 449 L N 2.748 123.868 121.223 -0.172 0.000 2.127 449 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 449 L C 2.790 179.497 176.870 -0.272 0.000 1.089 449 L CA 2.662 57.314 54.840 -0.312 0.000 0.757 449 L CB -1.047 40.836 42.059 -0.293 0.000 0.899 449 L HN 0.765 nan 8.230 nan 0.000 0.434 450 S N -1.024 114.607 115.700 -0.116 0.000 2.500 450 S HA 0.005 4.475 4.470 -0.000 0.000 0.239 450 S C 1.221 175.803 174.600 -0.029 0.000 0.989 450 S CA 0.720 58.900 58.200 -0.034 0.000 0.951 450 S CB -0.223 62.973 63.200 -0.008 0.000 0.759 450 S HN 0.421 nan 8.310 nan 0.000 0.523 451 A N 0.259 123.041 122.820 -0.062 0.000 2.579 451 A HA 0.561 4.880 4.320 -0.000 0.000 0.254 451 A C 1.026 178.582 177.584 -0.047 0.000 0.873 451 A CA 0.167 52.176 52.037 -0.047 0.000 1.106 451 A CB -0.136 18.841 19.000 -0.038 0.000 1.222 451 A HN 0.860 nan 8.150 nan 0.000 0.470 452 V N -3.952 115.906 119.914 -0.093 0.000 3.129 452 V HA 0.171 4.291 4.120 -0.000 0.000 0.259 452 V C 1.594 177.760 176.094 0.120 0.000 1.116 452 V CA 1.132 63.404 62.300 -0.047 0.000 1.127 452 V CB -0.932 30.796 31.823 -0.158 0.000 0.742 452 V HN 0.317 nan 8.190 nan 0.000 0.474 453 F N 0.813 120.721 119.950 -0.070 0.000 2.390 453 F HA 0.321 4.848 4.527 -0.000 0.000 0.281 453 F C 2.371 178.091 175.800 -0.134 0.000 1.016 453 F CA 0.932 58.884 58.000 -0.080 0.000 1.286 453 F CB -0.588 38.379 39.000 -0.055 0.000 1.134 453 F HN -0.012 nan 8.300 nan 0.000 0.597 454 V N 1.884 121.810 119.914 0.020 0.000 2.379 454 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 454 V C -0.491 175.287 176.094 -0.526 0.000 1.044 454 V CA 1.584 63.748 62.300 -0.227 0.000 1.036 454 V CB -2.215 29.456 31.823 -0.254 0.000 0.664 454 V HN 0.106 nan 8.190 nan 0.000 0.453 455 P HA -0.255 nan 4.420 nan 0.000 0.216 455 P C 1.922 179.120 177.300 -0.169 0.000 1.153 455 P CA 1.843 64.747 63.100 -0.326 0.000 0.858 455 P CB -0.183 31.445 31.700 -0.121 0.000 0.789 456 M N -0.526 118.993 119.600 -0.135 0.000 2.296 456 M HA -0.005 4.475 4.480 -0.000 0.000 0.265 456 M C 1.168 177.458 176.300 -0.017 0.000 1.064 456 M CA 1.351 56.563 55.300 -0.146 0.000 1.109 456 M CB -0.324 32.156 32.600 -0.200 0.000 1.396 456 M HN -0.179 nan 8.290 nan 0.000 0.430 457 A N -0.203 122.609 122.820 -0.014 0.000 2.929 457 A HA 0.179 4.499 4.320 -0.000 0.000 0.279 457 A C -0.141 177.637 177.584 0.322 0.000 1.418 457 A CA -0.265 51.858 52.037 0.143 0.000 1.035 457 A CB -0.868 18.146 19.000 0.024 0.000 1.047 457 A HN 0.464 nan 8.150 nan 0.000 0.609 458 F N 0.656 120.667 119.950 0.102 0.000 2.855 458 F HA 0.273 4.800 4.527 -0.000 0.000 0.317 458 F C 0.352 175.881 175.800 -0.451 0.000 1.169 458 F CA -2.472 55.362 58.000 -0.276 0.000 1.299 458 F CB -1.233 37.633 39.000 -0.222 0.000 0.962 458 F HN 0.378 nan 8.300 nan 0.000 0.506 459 F N -0.462 119.609 119.950 0.201 0.000 1.705 459 F HA 0.140 4.667 4.527 -0.000 0.000 0.177 459 F C 0.544 176.387 175.800 0.071 0.000 0.434 459 F CA -0.121 57.956 58.000 0.127 0.000 0.621 459 F CB -0.695 38.365 39.000 0.099 0.000 0.757 459 F HN 0.261 nan 8.300 nan 0.000 0.640 460 G N 1.736 110.643 108.800 0.178 0.000 2.618 460 G HA2 0.714 4.674 3.960 -0.000 0.000 0.289 460 G HA3 0.714 4.674 3.960 -0.000 0.000 0.289 460 G C -0.164 174.761 174.900 0.042 0.000 1.493 460 G CA 0.209 45.343 45.100 0.057 0.000 1.133 460 G HN 2.291 nan 8.290 nan 0.000 0.578 461 G N 1.066 109.912 108.800 0.075 0.000 2.451 461 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.208 461 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.208 461 G C 1.219 176.137 174.900 0.031 0.000 1.248 461 G CA 0.423 45.540 45.100 0.029 0.000 0.989 461 G HN 1.227 nan 8.290 nan 0.000 0.559 462 S N -0.373 115.320 115.700 -0.012 0.000 2.440 462 S HA -0.014 4.456 4.470 -0.000 0.000 0.238 462 S C 1.765 176.347 174.600 -0.029 0.000 1.010 462 S CA 2.245 60.435 58.200 -0.017 0.000 0.972 462 S CB -0.386 62.788 63.200 -0.043 0.000 0.774 462 S HN 0.970 nan 8.310 nan 0.000 0.501 463 T N 1.396 115.906 114.554 -0.072 0.000 3.607 463 T HA 0.312 4.662 4.350 -0.000 0.000 0.225 463 T C 1.267 175.971 174.700 0.008 0.000 0.904 463 T CA 0.176 62.238 62.100 -0.063 0.000 0.962 463 T CB 0.328 69.091 68.868 -0.175 0.000 1.221 463 T HN 0.404 nan 8.240 nan 0.000 0.641 464 G N 1.462 110.279 108.800 0.028 0.000 2.439 464 G HA2 0.101 4.061 3.960 -0.000 0.000 0.212 464 G HA3 0.101 4.061 3.960 -0.000 0.000 0.212 464 G C 1.502 176.323 174.900 -0.133 0.000 1.199 464 G CA 0.372 45.493 45.100 0.035 0.000 0.807 464 G HN 0.591 nan 8.290 nan 0.000 0.537 465 A N -0.475 122.272 122.820 -0.122 0.000 2.252 465 A HA 0.395 4.715 4.320 -0.000 0.000 0.207 465 A C 1.938 179.435 177.584 -0.145 0.000 1.194 465 A CA 0.368 52.307 52.037 -0.163 0.000 0.809 465 A CB -0.179 18.768 19.000 -0.087 0.000 0.814 465 A HN 0.286 nan 8.150 nan 0.000 0.482 466 I N -2.251 118.243 120.570 -0.128 0.000 2.512 466 I HA -0.012 4.157 4.170 -0.000 0.000 0.247 466 I C 1.597 177.595 176.117 -0.198 0.000 1.094 466 I CA 1.249 62.432 61.300 -0.194 0.000 1.427 466 I CB -0.366 37.496 38.000 -0.231 0.000 1.149 466 I HN 0.445 nan 8.210 nan 0.000 0.438 467 Y N -0.353 119.943 120.300 -0.007 0.000 2.466 467 Y HA 0.177 4.727 4.550 -0.000 0.000 0.272 467 Y C 2.247 178.113 175.900 -0.057 0.000 1.169 467 Y CA -0.312 57.770 58.100 -0.030 0.000 1.285 467 Y CB 0.087 38.549 38.460 0.004 0.000 1.078 467 Y HN 0.020 nan 8.280 nan 0.000 0.523 468 R N 0.814 121.318 120.500 0.006 0.000 1.895 468 R HA -0.017 4.323 4.340 -0.000 0.000 0.164 468 R C 0.788 176.932 176.300 -0.261 0.000 1.151 468 R CA 0.288 56.306 56.100 -0.137 0.000 1.395 468 R CB -0.301 29.783 30.300 -0.361 0.000 0.735 468 R HN 0.279 nan 8.270 nan 0.000 0.568 472 I N 0.911 121.379 120.570 -0.171 0.000 4.374 472 I HA -0.417 3.753 4.170 -0.000 0.000 0.078 472 I C 1.308 177.399 176.117 -0.043 0.000 0.592 472 I CA 3.547 64.800 61.300 -0.078 0.000 0.987 472 I CB -1.955 35.983 38.000 -0.103 0.000 0.884 472 I HN 0.776 nan 8.210 nan 0.000 0.180 473 T N 2.559 117.029 114.554 -0.139 0.000 2.635 473 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 473 T C 1.804 176.453 174.700 -0.085 0.000 1.040 473 T CA 3.058 65.099 62.100 -0.098 0.000 1.156 473 T CB -0.699 68.077 68.868 -0.154 0.000 0.863 473 T HN 0.726 nan 8.240 nan 0.000 0.430 474 I N 0.933 121.402 120.570 -0.169 0.000 2.208 474 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 474 I C 2.441 178.634 176.117 0.126 0.000 1.097 474 I CA 1.088 62.323 61.300 -0.109 0.000 1.363 474 I CB -1.048 36.831 38.000 -0.202 0.000 1.051 474 I HN 0.075 nan 8.210 nan 0.000 0.413 475 V N 1.611 121.608 119.914 0.137 0.000 2.379 475 V HA -0.217 3.902 4.120 -0.000 0.000 0.245 475 V C 2.869 179.043 176.094 0.133 0.000 1.044 475 V CA 2.068 64.493 62.300 0.207 0.000 1.036 475 V CB -0.672 31.257 31.823 0.176 0.000 0.664 475 V HN 0.633 nan 8.190 nan 0.000 0.453 476 S N 1.603 117.371 115.700 0.114 0.000 2.387 476 S HA -0.254 4.216 4.470 -0.000 0.000 0.230 476 S C 2.072 176.712 174.600 0.067 0.000 1.035 476 S CA 1.629 59.896 58.200 0.112 0.000 1.014 476 S CB -0.685 62.596 63.200 0.136 0.000 0.836 476 S HN 0.595 nan 8.310 nan 0.000 0.466 477 A N 2.301 125.150 122.820 0.048 0.000 1.929 477 A HA 0.120 4.439 4.320 -0.000 0.000 0.216 477 A C 2.334 179.948 177.584 0.049 0.000 1.176 477 A CA 1.530 53.582 52.037 0.024 0.000 0.628 477 A CB -0.745 18.258 19.000 0.006 0.000 0.816 477 A HN 0.773 nan 8.150 nan 0.000 0.444 478 M N -0.383 119.269 119.600 0.086 0.000 2.077 478 M HA 0.014 4.493 4.480 -0.000 0.000 0.261 478 M C 2.073 178.402 176.300 0.049 0.000 1.070 478 M CA 2.025 57.368 55.300 0.073 0.000 1.125 478 M CB -0.278 32.376 32.600 0.090 0.000 1.339 478 M HN 0.232 nan 8.290 nan 0.000 0.409 479 A N 0.416 123.271 122.820 0.059 0.000 2.119 479 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 479 A C 2.008 179.617 177.584 0.041 0.000 1.153 479 A CA 0.955 53.022 52.037 0.050 0.000 0.692 479 A CB -0.792 18.247 19.000 0.066 0.000 0.799 479 A HN 0.637 nan 8.150 nan 0.000 0.458 480 L N -0.123 121.122 121.223 0.037 0.000 2.162 480 L HA -0.088 4.252 4.340 -0.000 0.000 0.205 480 L C 2.805 179.684 176.870 0.014 0.000 1.086 480 L CA 1.238 56.092 54.840 0.023 0.000 0.778 480 L CB -0.269 41.799 42.059 0.015 0.000 0.928 480 L HN 0.487 nan 8.230 nan 0.000 0.446 481 S N -1.000 114.708 115.700 0.015 0.000 2.447 481 S HA -0.100 4.370 4.470 -0.000 0.000 0.233 481 S C 1.841 176.449 174.600 0.012 0.000 1.006 481 S CA 0.772 58.978 58.200 0.010 0.000 0.957 481 S CB -0.551 62.657 63.200 0.013 0.000 0.773 481 S HN 0.159 nan 8.310 nan 0.000 0.507 482 V N 1.888 121.812 119.914 0.017 0.000 2.302 482 V HA -0.050 4.070 4.120 -0.000 0.000 0.243 482 V C 2.446 178.552 176.094 0.020 0.000 1.036 482 V CA 1.400 63.711 62.300 0.017 0.000 1.020 482 V CB -0.805 31.029 31.823 0.019 0.000 0.657 482 V HN 0.389 nan 8.190 nan 0.000 0.453 483 L N -0.363 120.874 121.223 0.023 0.000 1.955 483 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 483 L C 2.532 179.415 176.870 0.020 0.000 1.072 483 L CA 1.591 56.446 54.840 0.024 0.000 0.755 483 L CB -0.827 41.247 42.059 0.025 0.000 0.888 483 L HN 0.137 nan 8.230 nan 0.000 0.432 484 V N 0.067 119.987 119.914 0.010 0.000 2.311 484 V HA -0.417 3.703 4.120 -0.000 0.000 0.256 484 V C 2.422 178.521 176.094 0.009 0.000 1.077 484 V CA 2.216 64.516 62.300 -0.001 0.000 1.067 484 V CB -0.826 30.989 31.823 -0.014 0.000 0.659 484 V HN 0.588 nan 8.190 nan 0.000 0.451 485 A N -2.163 120.666 122.820 0.015 0.000 2.195 485 A HA 0.203 4.523 4.320 -0.000 0.000 0.210 485 A C 2.019 179.620 177.584 0.030 0.000 1.165 485 A CA 0.537 52.587 52.037 0.022 0.000 0.806 485 A CB -0.082 18.930 19.000 0.019 0.000 0.847 485 A HN 0.503 nan 8.150 nan 0.000 0.482 486 L N -0.793 120.448 121.223 0.030 0.000 2.298 486 L HA 0.244 4.584 4.340 -0.000 0.000 0.209 486 L C 0.448 177.345 176.870 0.044 0.000 1.084 486 L CA 0.302 55.163 54.840 0.035 0.000 0.816 486 L CB 0.112 42.189 42.059 0.031 0.000 0.967 486 L HN 0.288 nan 8.230 nan 0.000 0.460 487 I N -2.108 118.489 120.570 0.046 0.000 3.514 487 I HA 0.171 4.341 4.170 -0.000 0.000 0.300 487 I C 1.022 177.174 176.117 0.059 0.000 1.194 487 I CA -0.370 60.967 61.300 0.061 0.000 0.968 487 I CB 0.782 38.819 38.000 0.063 0.000 1.418 487 I HN 0.010 nan 8.210 nan 0.000 0.614 488 L N 0.141 121.412 121.223 0.081 0.000 3.478 488 L HA -0.416 3.924 4.340 -0.000 0.000 0.054 488 L C 1.652 178.571 176.870 0.081 0.000 4.404 488 L CA 2.989 57.874 54.840 0.076 0.000 0.544 488 L CB -2.346 39.711 42.059 -0.003 0.000 3.531 488 L HN 0.796 nan 8.230 nan 0.000 0.754 489 T N 1.132 115.717 114.554 0.051 0.000 2.652 489 T HA -0.074 4.275 4.350 -0.000 0.000 0.267 489 T C -0.552 174.188 174.700 0.066 0.000 1.039 489 T CA 2.141 64.274 62.100 0.054 0.000 1.153 489 T CB -1.265 67.625 68.868 0.037 0.000 0.863 489 T HN 0.558 nan 8.240 nan 0.000 0.428 490 P HA -0.233 nan 4.420 nan 0.000 0.219 490 P C 1.546 178.886 177.300 0.067 0.000 1.161 490 P CA 1.925 65.059 63.100 0.058 0.000 0.909 490 P CB -0.338 31.394 31.700 0.054 0.000 0.793 491 A N -0.971 121.902 122.820 0.088 0.000 1.828 491 A HA -0.199 4.120 4.320 -0.000 0.000 0.215 491 A C 2.371 180.028 177.584 0.121 0.000 1.203 491 A CA 1.842 53.941 52.037 0.105 0.000 0.614 491 A CB -1.673 17.424 19.000 0.162 0.000 0.844 491 A HN 0.122 nan 8.150 nan 0.000 0.445 492 L N -0.493 120.840 121.223 0.184 0.000 2.021 492 L HA -0.330 4.010 4.340 -0.000 0.000 0.215 492 L C 2.799 179.739 176.870 0.116 0.000 1.074 492 L CA 2.108 57.067 54.840 0.198 0.000 0.760 492 L CB -0.484 41.713 42.059 0.230 0.000 0.889 492 L HN 0.598 nan 8.230 nan 0.000 0.433 493 C N -1.242 118.112 119.300 0.090 0.000 2.385 493 C HA -0.296 4.164 4.460 -0.000 0.000 0.275 493 C C 2.960 177.981 174.990 0.052 0.000 1.207 493 C CA 0.891 59.948 59.018 0.066 0.000 1.760 493 C CB -1.391 26.383 27.740 0.057 0.000 2.051 493 C HN 0.715 nan 8.230 nan 0.000 0.467 494 A N -0.119 122.728 122.820 0.045 0.000 1.826 494 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 494 A C 2.130 179.726 177.584 0.020 0.000 1.212 494 A CA 2.486 54.539 52.037 0.026 0.000 0.605 494 A CB -1.566 17.443 19.000 0.016 0.000 0.861 494 A HN 0.521 nan 8.150 nan 0.000 0.447 495 T N -1.025 113.539 114.554 0.017 0.000 2.654 495 T HA -0.244 4.106 4.350 -0.000 0.000 0.251 495 T C 0.801 175.503 174.700 0.003 0.000 1.163 495 T CA 2.065 64.163 62.100 -0.004 0.000 1.136 495 T CB -0.358 68.514 68.868 0.007 0.000 0.839 495 T HN 0.534 nan 8.240 nan 0.000 0.466 496 M N -0.412 119.208 119.600 0.034 0.000 2.294 496 M HA 0.499 4.979 4.480 -0.000 0.000 0.280 496 M C -1.623 174.712 176.300 0.058 0.000 1.085 496 M CA -0.576 54.749 55.300 0.042 0.000 0.969 496 M CB 2.084 34.714 32.600 0.050 0.000 1.770 496 M HN 0.219 nan 8.290 nan 0.000 0.485 497 L N 3.568 124.822 121.223 0.051 0.000 3.360 497 L HA 0.488 4.828 4.340 -0.000 0.000 0.185 497 L C -0.358 176.544 176.870 0.052 0.000 1.349 497 L CA 0.867 55.739 54.840 0.054 0.000 0.976 497 L CB -0.302 41.785 42.059 0.047 0.000 1.780 497 L HN 0.759 nan 8.230 nan 0.000 0.582 514 G N 1.122 110.322 108.800 0.667 0.000 2.639 514 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 514 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 514 G C 0.972 176.120 174.900 0.414 0.000 1.267 514 G CA 1.466 46.818 45.100 0.420 0.000 0.801 514 G HN 0.785 nan 8.290 nan 0.000 0.592 515 W N -0.099 121.239 121.300 0.063 0.000 2.049 515 W HA -0.360 4.299 4.660 -0.000 0.000 0.351 515 W C 2.279 178.707 176.519 -0.151 0.000 1.746 515 W CA 2.034 59.325 57.345 -0.091 0.000 1.964 515 W CB -1.781 27.580 29.460 -0.165 0.000 0.930 515 W HN 0.230 nan 8.180 nan 0.000 0.464 516 F N -0.377 119.759 119.950 0.310 0.000 2.098 516 F HA -0.138 4.389 4.527 -0.000 0.000 0.294 516 F C 2.356 178.267 175.800 0.185 0.000 1.107 516 F CA 1.834 59.954 58.000 0.201 0.000 1.234 516 F CB -1.262 37.858 39.000 0.201 0.000 1.002 516 F HN -0.138 nan 8.300 nan 0.000 0.472 517 N N 0.591 119.506 118.700 0.358 0.000 2.096 517 N HA -0.227 4.513 4.740 -0.000 0.000 0.195 517 N C 1.890 177.480 175.510 0.134 0.000 1.017 517 N CA 1.447 54.620 53.050 0.205 0.000 0.870 517 N CB -0.630 37.944 38.487 0.145 0.000 1.024 517 N HN 0.291 nan 8.380 nan 0.000 0.434 518 R N 0.129 120.680 120.500 0.084 0.000 2.082 518 R HA -0.013 4.327 4.340 -0.000 0.000 0.234 518 R C 2.365 178.649 176.300 -0.027 0.000 1.136 518 R CA 1.272 57.363 56.100 -0.016 0.000 0.935 518 R CB -0.274 29.981 30.300 -0.076 0.000 0.842 518 R HN 0.167 nan 8.270 nan 0.000 0.430 519 M N -0.455 119.124 119.600 -0.035 0.000 2.108 519 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 519 M C 1.827 178.099 176.300 -0.047 0.000 1.066 519 M CA 1.731 56.967 55.300 -0.108 0.000 1.107 519 M CB -0.385 32.067 32.600 -0.246 0.000 1.356 519 M HN 0.144 nan 8.290 nan 0.000 0.406 520 F N 0.412 120.366 119.950 0.008 0.000 2.365 520 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 520 F C 2.382 178.203 175.800 0.035 0.000 1.090 520 F CA 1.113 59.138 58.000 0.042 0.000 1.408 520 F CB -0.076 38.962 39.000 0.064 0.000 1.060 520 F HN 0.324 nan 8.300 nan 0.000 0.534 521 E N 0.533 120.821 120.200 0.147 0.000 1.998 521 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 521 E C 2.075 178.703 176.600 0.046 0.000 0.994 521 E CA 1.225 57.637 56.400 0.020 0.000 0.835 521 E CB 0.041 29.665 29.700 -0.127 0.000 0.786 521 E HN 0.112 nan 8.360 nan 0.000 0.467 522 K N 0.602 120.968 120.400 -0.057 0.000 2.066 522 K HA -0.268 4.052 4.320 -0.000 0.000 0.221 522 K C 2.305 179.049 176.600 0.239 0.000 1.056 522 K CA 2.082 58.385 56.287 0.028 0.000 0.950 522 K CB -0.870 31.612 32.500 -0.029 0.000 0.726 522 K HN 0.053 nan 8.250 nan 0.000 0.456 523 S N -0.471 115.320 115.700 0.152 0.000 2.365 523 S HA -0.198 4.271 4.470 -0.000 0.000 0.225 523 S C 1.910 176.643 174.600 0.221 0.000 1.039 523 S CA 2.132 60.456 58.200 0.207 0.000 1.033 523 S CB -0.522 62.681 63.200 0.004 0.000 0.887 523 S HN 0.446 nan 8.310 nan 0.000 0.447 524 T N 1.066 115.740 114.554 0.199 0.000 2.942 524 T HA 0.055 4.405 4.350 -0.000 0.000 0.265 524 T C 1.295 176.126 174.700 0.218 0.000 1.062 524 T CA 0.750 62.971 62.100 0.202 0.000 1.139 524 T CB -0.279 68.749 68.868 0.267 0.000 0.883 524 T HN 0.510 nan 8.240 nan 0.000 0.468 525 H N -0.454 118.705 119.070 0.148 0.000 3.399 525 H HA 0.044 4.600 4.556 -0.000 0.000 0.163 525 H C 1.553 176.970 175.328 0.149 0.000 1.476 525 H CA 0.707 56.852 56.048 0.161 0.000 1.604 525 H CB 0.124 30.006 29.762 0.200 0.000 1.259 525 H HN 0.277 nan 8.280 nan 0.000 0.784 526 H N -1.948 117.214 119.070 0.154 0.000 4.829 526 H HA -0.292 4.264 4.556 -0.000 0.000 0.080 526 H C 0.852 176.341 175.328 0.268 0.000 0.582 526 H CA 2.219 58.401 56.048 0.223 0.000 1.075 526 H CB -0.988 28.926 29.762 0.253 0.000 0.466 526 H HN 0.537 nan 8.280 nan 0.000 0.746 527 Y N 0.678 121.099 120.300 0.201 0.000 3.031 527 Y HA 0.210 4.760 4.550 -0.000 0.000 0.193 527 Y C 2.541 178.425 175.900 -0.027 0.000 0.940 527 Y CA 2.063 60.236 58.100 0.122 0.000 1.653 527 Y CB -0.379 38.188 38.460 0.177 0.000 1.333 527 Y HN 0.094 nan 8.280 nan 0.000 0.451 528 T N 1.593 115.933 114.554 -0.357 0.000 2.792 528 T HA -0.191 4.158 4.350 -0.000 0.000 0.268 528 T C 1.093 175.596 174.700 -0.327 0.000 1.059 528 T CA 2.005 63.810 62.100 -0.491 0.000 1.136 528 T CB -0.287 68.415 68.868 -0.276 0.000 0.846 528 T HN 0.407 nan 8.240 nan 0.000 0.489 529 D N 1.072 121.357 120.400 -0.193 0.000 2.162 529 D HA -0.014 4.626 4.640 -0.000 0.000 0.205 529 D C 2.391 178.585 176.300 -0.177 0.000 0.964 529 D CA 1.307 55.205 54.000 -0.170 0.000 0.847 529 D CB -0.524 40.193 40.800 -0.138 0.000 0.988 529 D HN 0.530 nan 8.370 nan 0.000 0.480 530 S N -0.003 115.601 115.700 -0.160 0.000 2.603 530 S HA -0.011 4.459 4.470 -0.000 0.000 0.229 530 S C 1.807 176.211 174.600 -0.327 0.000 0.972 530 S CA 0.174 58.262 58.200 -0.187 0.000 0.935 530 S CB -0.109 63.006 63.200 -0.142 0.000 0.769 530 S HN 0.018 nan 8.310 nan 0.000 0.536 531 V N 1.305 120.976 119.914 -0.405 0.000 2.672 531 V HA 0.196 4.316 4.120 -0.000 0.000 0.242 531 V C 2.742 178.573 176.094 -0.438 0.000 1.059 531 V CA 1.254 63.231 62.300 -0.538 0.000 1.081 531 V CB -1.179 30.175 31.823 -0.780 0.000 0.752 531 V HN 0.596 nan 8.190 nan 0.000 0.472 532 G N 0.354 108.947 108.800 -0.345 0.000 2.471 532 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.219 532 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.219 532 G C 1.524 176.303 174.900 -0.200 0.000 1.125 532 G CA 0.954 45.895 45.100 -0.264 0.000 0.775 532 G HN 0.567 nan 8.290 nan 0.000 0.548 533 G N 1.474 110.168 108.800 -0.177 0.000 2.396 533 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.214 533 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.214 533 G C 1.811 176.691 174.900 -0.033 0.000 1.166 533 G CA 0.910 45.957 45.100 -0.088 0.000 0.793 533 G HN 0.595 nan 8.290 nan 0.000 0.533 534 I N -1.524 118.973 120.570 -0.121 0.000 2.353 534 I HA 0.076 4.246 4.170 -0.000 0.000 0.248 534 I C 2.431 178.433 176.117 -0.191 0.000 1.119 534 I CA 0.863 62.136 61.300 -0.046 0.000 1.417 534 I CB -0.364 37.491 38.000 -0.243 0.000 1.078 534 I HN 0.016 nan 8.210 nan 0.000 0.421 535 L N 0.609 121.574 121.223 -0.430 0.000 2.201 535 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 535 L C 2.852 179.579 176.870 -0.238 0.000 1.105 535 L CA 1.085 55.628 54.840 -0.495 0.000 0.775 535 L CB -0.576 41.218 42.059 -0.441 0.000 0.913 535 L HN 0.182 nan 8.230 nan 0.000 0.440 536 R N -0.002 120.420 120.500 -0.131 0.000 2.070 536 R HA -0.068 4.272 4.340 -0.000 0.000 0.233 536 R C 1.321 177.633 176.300 0.019 0.000 1.137 536 R CA 1.223 57.289 56.100 -0.055 0.000 0.945 536 R CB -0.129 30.151 30.300 -0.035 0.000 0.845 536 R HN 0.401 nan 8.270 nan 0.000 0.430 537 S N -1.511 114.259 115.700 0.116 0.000 2.641 537 S HA 0.255 4.725 4.470 -0.000 0.000 0.261 537 S C 0.533 175.318 174.600 0.309 0.000 1.257 537 S CA -0.394 57.934 58.200 0.214 0.000 0.983 537 S CB 1.864 65.247 63.200 0.306 0.000 0.990 537 S HN 0.160 nan 8.310 nan 0.000 0.572 538 T N -0.863 113.900 114.554 0.347 0.000 3.853 538 T HA 0.214 4.564 4.350 -0.000 0.000 0.296 538 T C 1.709 176.586 174.700 0.295 0.000 0.928 538 T CA 0.083 62.438 62.100 0.424 0.000 1.190 538 T CB -1.133 67.871 68.868 0.227 0.000 1.066 538 T HN 0.670 nan 8.240 nan 0.000 0.458 539 G N 1.212 110.105 108.800 0.155 0.000 2.471 539 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.219 539 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.219 539 G C 1.401 176.316 174.900 0.026 0.000 1.125 539 G CA 0.981 46.129 45.100 0.080 0.000 0.775 539 G HN 0.387 nan 8.290 nan 0.000 0.548 540 R N -0.933 119.557 120.500 -0.016 0.000 2.075 540 R HA 0.044 4.383 4.340 -0.000 0.000 0.226 540 R C 1.876 178.043 176.300 -0.221 0.000 1.114 540 R CA 0.723 56.725 56.100 -0.164 0.000 0.972 540 R CB -0.255 29.863 30.300 -0.304 0.000 0.869 540 R HN 0.460 nan 8.270 nan 0.000 0.437 541 Y N -0.033 120.232 120.300 -0.059 0.000 2.561 541 Y HA -0.058 4.491 4.550 -0.000 0.000 0.291 541 Y C 1.800 177.556 175.900 -0.239 0.000 1.141 541 Y CA 0.165 58.116 58.100 -0.247 0.000 1.303 541 Y CB 0.255 38.316 38.460 -0.665 0.000 1.015 541 Y HN 0.155 nan 8.280 nan 0.000 0.547 542 L N -1.456 119.775 121.223 0.014 0.000 2.102 542 L HA -0.051 4.289 4.340 -0.000 0.000 0.202 542 L C 2.125 179.047 176.870 0.087 0.000 1.076 542 L CA 0.953 55.821 54.840 0.048 0.000 0.761 542 L CB -0.591 41.499 42.059 0.052 0.000 0.921 542 L HN -0.063 nan 8.230 nan 0.000 0.444 543 V N -0.011 119.923 119.914 0.032 0.000 2.453 543 V HA -0.297 3.822 4.120 -0.000 0.000 0.252 543 V C 2.471 178.566 176.094 0.001 0.000 1.068 543 V CA 2.056 64.362 62.300 0.010 0.000 1.070 543 V CB -0.315 31.492 31.823 -0.027 0.000 0.664 543 V HN 0.467 nan 8.190 nan 0.000 0.461 544 L N -1.331 119.889 121.223 -0.006 0.000 2.131 544 L HA -0.089 4.250 4.340 -0.000 0.000 0.206 544 L C 2.210 179.094 176.870 0.022 0.000 1.087 544 L CA 1.827 56.657 54.840 -0.017 0.000 0.767 544 L CB -0.709 41.334 42.059 -0.026 0.000 0.917 544 L HN 0.522 nan 8.230 nan 0.000 0.441 545 Y N -0.366 119.906 120.300 -0.046 0.000 2.207 545 Y HA -0.274 4.276 4.550 -0.000 0.000 0.287 545 Y C 1.924 177.805 175.900 -0.031 0.000 1.156 545 Y CA 2.031 60.111 58.100 -0.034 0.000 1.182 545 Y CB -0.206 38.233 38.460 -0.034 0.000 0.979 545 Y HN 0.180 nan 8.280 nan 0.000 0.521 546 L N -0.628 120.598 121.223 0.004 0.000 2.095 546 L HA -0.139 4.201 4.340 -0.000 0.000 0.204 546 L C 2.454 179.249 176.870 -0.124 0.000 1.080 546 L CA 0.543 55.333 54.840 -0.084 0.000 0.759 546 L CB -0.670 41.418 42.059 0.048 0.000 0.914 546 L HN 0.170 nan 8.230 nan 0.000 0.439 547 I N 0.385 120.908 120.570 -0.079 0.000 2.229 547 I HA -0.359 3.811 4.170 -0.000 0.000 0.250 547 I C 2.460 178.513 176.117 -0.106 0.000 1.096 547 I CA 2.059 63.310 61.300 -0.082 0.000 1.358 547 I CB -0.270 37.689 38.000 -0.069 0.000 1.047 547 I HN 0.273 nan 8.210 nan 0.000 0.422 548 I N -0.540 119.941 120.570 -0.148 0.000 2.233 548 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 548 I C 2.451 178.461 176.117 -0.179 0.000 1.093 548 I CA 0.859 62.065 61.300 -0.157 0.000 1.380 548 I CB -0.207 37.684 38.000 -0.183 0.000 1.067 548 I HN -0.069 nan 8.210 nan 0.000 0.413 549 V N 0.252 119.997 119.914 -0.282 0.000 2.233 549 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 549 V C 2.458 178.475 176.094 -0.128 0.000 1.050 549 V CA 1.786 63.940 62.300 -0.244 0.000 1.010 549 V CB -0.553 31.080 31.823 -0.317 0.000 0.637 549 V HN 0.226 nan 8.190 nan 0.000 0.444 550 V N 0.915 120.766 119.914 -0.105 0.000 2.251 550 V HA -0.402 3.718 4.120 -0.000 0.000 0.259 550 V C 2.546 178.634 176.094 -0.010 0.000 1.078 550 V CA 2.708 64.976 62.300 -0.054 0.000 1.072 550 V CB -1.605 30.183 31.823 -0.059 0.000 0.681 550 V HN 0.654 nan 8.190 nan 0.000 0.454 551 G N -2.043 106.749 108.800 -0.014 0.000 2.404 551 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.215 551 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.215 551 G C 1.560 176.517 174.900 0.095 0.000 1.174 551 G CA 0.994 46.127 45.100 0.054 0.000 0.780 551 G HN 0.388 nan 8.290 nan 0.000 0.537 552 M N 0.880 120.494 119.600 0.023 0.000 2.153 552 M HA -0.248 4.232 4.480 -0.000 0.000 0.253 552 M C 2.711 179.036 176.300 0.041 0.000 1.081 552 M CA 1.934 57.245 55.300 0.018 0.000 1.076 552 M CB -0.317 32.242 32.600 -0.069 0.000 1.350 552 M HN 0.352 nan 8.290 nan 0.000 0.401 553 A N -0.794 122.040 122.820 0.023 0.000 1.832 553 A HA -0.252 4.068 4.320 -0.000 0.000 0.214 553 A C 1.864 179.553 177.584 0.174 0.000 1.200 553 A CA 1.643 53.709 52.037 0.049 0.000 0.610 553 A CB -1.524 17.491 19.000 0.026 0.000 0.842 553 A HN 0.625 nan 8.150 nan 0.000 0.444 554 Y N 0.560 120.894 120.300 0.057 0.000 2.132 554 Y HA -0.201 4.349 4.550 -0.000 0.000 0.280 554 Y C 1.754 177.714 175.900 0.100 0.000 1.193 554 Y CA 1.983 60.124 58.100 0.069 0.000 1.157 554 Y CB -0.226 38.256 38.460 0.037 0.000 0.966 554 Y HN 0.211 nan 8.280 nan 0.000 0.511 555 L N -0.820 120.490 121.223 0.145 0.000 2.627 555 L HA -0.054 4.286 4.340 -0.000 0.000 0.233 555 L C 1.317 178.263 176.870 0.126 0.000 1.144 555 L CA 0.474 55.365 54.840 0.086 0.000 0.892 555 L CB -0.425 41.728 42.059 0.156 0.000 1.039 555 L HN 0.354 nan 8.230 nan 0.000 0.442 556 F N -0.847 119.091 119.950 -0.020 0.000 2.495 556 F HA -0.002 4.525 4.527 -0.000 0.000 0.272 556 F C 2.029 177.825 175.800 -0.006 0.000 0.919 556 F CA 0.494 58.506 58.000 0.020 0.000 1.178 556 F CB 0.049 39.064 39.000 0.024 0.000 1.030 556 F HN -0.186 nan 8.300 nan 0.000 0.777 557 V N 0.837 120.913 119.914 0.270 0.000 2.324 557 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 557 V C 2.401 178.463 176.094 -0.054 0.000 1.060 557 V CA 1.888 64.251 62.300 0.105 0.000 1.042 557 V CB -1.116 30.766 31.823 0.097 0.000 0.650 557 V HN 0.287 nan 8.190 nan 0.000 0.450 558 R N -0.147 120.269 120.500 -0.140 0.000 2.090 558 R HA 0.185 4.525 4.340 -0.000 0.000 0.228 558 R C 1.048 177.271 176.300 -0.129 0.000 1.110 558 R CA 0.180 56.171 56.100 -0.182 0.000 0.973 558 R CB -0.831 29.265 30.300 -0.339 0.000 0.869 558 R HN 0.504 nan 8.270 nan 0.000 0.440 559 L N 4.445 125.593 121.223 -0.125 0.000 2.654 559 L HA 0.054 4.394 4.340 -0.000 0.000 0.271 559 L C -2.040 174.763 176.870 -0.111 0.000 1.169 559 L CA -0.933 53.843 54.840 -0.107 0.000 0.947 559 L CB 0.262 42.263 42.059 -0.096 0.000 1.232 559 L HN -0.011 nan 8.230 nan 0.000 0.486 560 P HA 0.102 nan 4.420 nan 0.000 0.274 560 P C -1.013 176.273 177.300 -0.024 0.000 1.237 560 P CA -0.534 62.538 63.100 -0.045 0.000 0.793 560 P CB 1.130 32.813 31.700 -0.027 0.000 0.977 561 S N 0.564 116.261 115.700 -0.005 0.000 2.429 561 S HA 0.457 4.927 4.470 -0.000 0.000 0.302 561 S C -0.068 174.570 174.600 0.062 0.000 1.115 561 S CA -0.227 57.991 58.200 0.030 0.000 1.095 561 S CB -0.167 63.050 63.200 0.030 0.000 0.987 561 S HN 0.394 nan 8.310 nan 0.000 0.474 562 S N 2.813 118.569 115.700 0.092 0.000 2.786 562 S HA 0.596 5.066 4.470 -0.000 0.000 0.307 562 S C -0.030 174.689 174.600 0.199 0.000 1.121 562 S CA -0.567 57.704 58.200 0.119 0.000 0.975 562 S CB 0.949 64.204 63.200 0.091 0.000 1.220 562 S HN 0.744 nan 8.310 nan 0.000 0.550 563 F N 0.431 120.387 119.950 0.010 0.000 2.390 563 F HA 0.625 5.152 4.527 -0.000 0.000 0.281 563 F C -0.329 175.441 175.800 -0.050 0.000 1.016 563 F CA -0.012 57.976 58.000 -0.021 0.000 1.286 563 F CB 0.058 39.035 39.000 -0.039 0.000 1.134 563 F HN 0.355 nan 8.300 nan 0.000 0.597 564 L N 2.206 123.247 121.223 -0.304 0.000 2.751 564 L HA 0.435 4.775 4.340 -0.000 0.000 0.261 564 L C -2.820 173.967 176.870 -0.139 0.000 0.927 564 L CA -1.529 53.040 54.840 -0.451 0.000 0.968 564 L CB 1.108 42.577 42.059 -0.983 0.000 1.432 564 L HN -0.081 nan 8.230 nan 0.000 0.439 565 P HA 0.173 nan 4.420 nan 0.000 0.267 565 P C -1.146 176.191 177.300 0.062 0.000 1.200 565 P CA 0.018 63.162 63.100 0.073 0.000 0.772 565 P CB 0.495 32.279 31.700 0.140 0.000 0.855 566 D N 1.325 121.757 120.400 0.054 0.000 2.277 566 D HA 0.193 4.833 4.640 -0.000 0.000 0.249 566 D C 0.297 176.643 176.300 0.076 0.000 1.134 566 D CA -0.004 54.027 54.000 0.052 0.000 0.863 566 D CB 0.748 41.573 40.800 0.043 0.000 1.143 566 D HN 0.278 nan 8.370 nan 0.000 0.458 567 E N 1.026 121.282 120.200 0.093 0.000 2.222 567 E HA 0.185 4.535 4.350 -0.000 0.000 0.267 567 E C -0.697 175.981 176.600 0.130 0.000 0.963 567 E CA -0.911 55.569 56.400 0.134 0.000 0.837 567 E CB 1.483 31.313 29.700 0.217 0.000 1.183 567 E HN 0.349 nan 8.360 nan 0.000 0.403 568 D N 1.390 121.909 120.400 0.200 0.000 2.358 568 D HA -0.010 4.629 4.640 -0.000 0.000 0.258 568 D C -0.204 176.343 176.300 0.412 0.000 1.223 568 D CA 0.563 54.737 54.000 0.289 0.000 0.886 568 D CB 0.768 41.803 40.800 0.391 0.000 1.120 568 D HN 0.337 nan 8.370 nan 0.000 0.482 569 Q N 1.694 121.588 119.800 0.157 0.000 2.179 569 Q HA 0.246 4.586 4.340 -0.000 0.000 0.213 569 Q C 1.093 177.068 176.000 -0.042 0.000 0.833 569 Q CA 0.031 55.742 55.803 -0.155 0.000 0.990 569 Q CB 0.662 29.113 28.738 -0.479 0.000 1.132 569 Q HN 0.784 nan 8.270 nan 0.000 0.493 570 G N 0.383 109.086 108.800 -0.161 0.000 2.187 570 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.261 570 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.261 570 G C -0.128 174.619 174.900 -0.254 0.000 1.000 570 G CA 0.548 45.329 45.100 -0.531 0.000 0.718 570 G HN 0.287 nan 8.290 nan 0.000 0.519 571 V N 0.022 119.864 119.914 -0.119 0.000 2.812 571 V HA 0.547 4.667 4.120 -0.000 0.000 0.280 571 V C -0.315 175.810 176.094 0.052 0.000 1.324 571 V CA -0.433 61.791 62.300 -0.125 0.000 0.933 571 V CB 1.098 32.698 31.823 -0.371 0.000 1.091 571 V HN 1.045 nan 8.190 nan 0.000 0.455 572 F N 4.998 124.946 119.950 -0.004 0.000 2.782 572 F HA 0.990 5.517 4.527 -0.000 0.000 0.366 572 F C -0.449 175.450 175.800 0.166 0.000 1.171 572 F CA -1.065 56.976 58.000 0.068 0.000 1.064 572 F CB 2.031 41.032 39.000 0.002 0.000 1.449 572 F HN 0.517 nan 8.300 nan 0.000 0.520 573 M N 0.608 120.221 119.600 0.023 0.000 2.813 573 M HA 0.656 5.136 4.480 -0.000 0.000 0.270 573 M C -1.844 174.245 176.300 -0.351 0.000 1.267 573 M CA -0.521 54.686 55.300 -0.156 0.000 0.822 573 M CB 2.078 34.810 32.600 0.221 0.000 1.671 573 M HN 0.894 nan 8.290 nan 0.000 0.468 574 T N 1.846 116.245 114.554 -0.259 0.000 3.172 574 T HA 0.569 4.919 4.350 -0.000 0.000 0.320 574 T C -0.894 173.760 174.700 -0.077 0.000 1.085 574 T CA -0.801 61.198 62.100 -0.169 0.000 1.052 574 T CB 1.343 70.309 68.868 0.164 0.000 1.107 574 T HN 0.929 nan 8.240 nan 0.000 0.458 575 M N 3.915 123.569 119.600 0.090 0.000 2.573 575 M HA 0.884 5.364 4.480 -0.000 0.000 0.309 575 M C -1.427 174.892 176.300 0.032 0.000 1.202 575 M CA -0.646 54.739 55.300 0.143 0.000 0.975 575 M CB 1.700 34.534 32.600 0.390 0.000 1.600 575 M HN 0.353 nan 8.290 nan 0.000 0.479 576 V N 1.265 121.169 119.914 -0.017 0.000 2.914 576 V HA 0.712 4.832 4.120 -0.000 0.000 0.314 576 V C -1.061 175.017 176.094 -0.025 0.000 1.084 576 V CA -0.534 61.713 62.300 -0.088 0.000 0.963 576 V CB 1.752 33.484 31.823 -0.151 0.000 1.025 576 V HN 1.014 nan 8.190 nan 0.000 0.432 577 Q N 2.238 122.006 119.800 -0.052 0.000 2.378 577 Q HA 0.579 4.919 4.340 -0.000 0.000 0.262 577 Q C -2.605 173.372 176.000 -0.037 0.000 0.978 577 Q CA -0.420 55.377 55.803 -0.010 0.000 0.918 577 Q CB 1.836 30.603 28.738 0.048 0.000 1.415 577 Q HN 0.610 nan 8.270 nan 0.000 0.409 578 L N 4.176 125.389 121.223 -0.016 0.000 2.313 578 L HA 0.729 5.069 4.340 -0.000 0.000 0.268 578 L C -1.969 174.901 176.870 -0.000 0.000 1.010 578 L CA -1.938 52.888 54.840 -0.023 0.000 0.814 578 L CB 1.417 43.462 42.059 -0.023 0.000 1.304 578 L HN 0.767 nan 8.230 nan 0.000 0.441 579 P HA 0.097 nan 4.420 nan 0.000 0.286 579 P C -0.817 176.498 177.300 0.026 0.000 1.293 579 P CA -0.515 62.592 63.100 0.012 0.000 0.770 579 P CB 0.383 32.084 31.700 0.002 0.000 1.206 580 A N -0.417 122.426 122.820 0.039 0.000 2.537 580 A HA 0.383 4.703 4.320 -0.000 0.000 0.260 580 A C 1.302 178.913 177.584 0.045 0.000 1.082 580 A CA 0.666 52.737 52.037 0.056 0.000 0.765 580 A CB -1.938 17.108 19.000 0.077 0.000 1.019 580 A HN 0.906 nan 8.150 nan 0.000 0.507 581 G N 1.287 110.119 108.800 0.054 0.000 2.256 581 G HA2 0.189 4.149 3.960 -0.000 0.000 0.272 581 G HA3 0.189 4.149 3.960 -0.000 0.000 0.272 581 G C 0.408 175.326 174.900 0.031 0.000 1.076 581 G CA 0.399 45.530 45.100 0.052 0.000 0.882 581 G HN 2.095 nan 8.290 nan 0.000 0.497 582 A N -0.455 122.379 122.820 0.023 0.000 2.271 582 A HA 0.958 5.278 4.320 -0.000 0.000 0.288 582 A C 0.912 178.502 177.584 0.010 0.000 1.094 582 A CA 0.817 52.858 52.037 0.008 0.000 0.828 582 A CB 0.784 19.782 19.000 -0.003 0.000 1.091 582 A HN 1.844 nan 8.150 nan 0.000 0.493 583 T N -2.053 112.500 114.554 -0.001 0.000 2.870 583 T HA 0.357 4.707 4.350 -0.000 0.000 0.277 583 T C 0.877 175.572 174.700 -0.009 0.000 1.000 583 T CA 0.013 62.112 62.100 -0.002 0.000 0.982 583 T CB 1.045 69.907 68.868 -0.009 0.000 1.249 583 T HN 0.611 nan 8.240 nan 0.000 0.589 584 Q N -0.446 119.349 119.800 -0.009 0.000 2.224 584 Q HA -0.106 4.234 4.340 -0.000 0.000 0.203 584 Q C 2.022 178.006 176.000 -0.027 0.000 0.970 584 Q CA 1.266 57.062 55.803 -0.012 0.000 0.865 584 Q CB -0.018 28.717 28.738 -0.005 0.000 0.922 584 Q HN 0.754 nan 8.270 nan 0.000 0.445 585 E N -0.166 120.014 120.200 -0.032 0.000 2.107 585 E HA -0.144 4.205 4.350 -0.000 0.000 0.191 585 E C 2.043 178.615 176.600 -0.046 0.000 0.982 585 E CA 0.564 56.940 56.400 -0.040 0.000 0.809 585 E CB 0.214 29.889 29.700 -0.041 0.000 0.756 585 E HN 0.308 nan 8.360 nan 0.000 0.459 586 R N -0.225 120.250 120.500 -0.042 0.000 2.066 586 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 586 R C 2.513 178.776 176.300 -0.062 0.000 1.131 586 R CA 1.609 57.680 56.100 -0.048 0.000 0.955 586 R CB -0.871 29.406 30.300 -0.039 0.000 0.851 586 R HN 0.130 nan 8.270 nan 0.000 0.432 587 T N 0.151 114.671 114.554 -0.056 0.000 2.995 587 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 587 T C 1.793 176.438 174.700 -0.091 0.000 1.091 587 T CA 1.110 63.167 62.100 -0.072 0.000 1.128 587 T CB 0.107 68.944 68.868 -0.051 0.000 0.891 587 T HN 0.055 nan 8.240 nan 0.000 0.492 588 Q N 1.211 120.964 119.800 -0.078 0.000 2.230 588 Q HA 0.083 4.423 4.340 -0.000 0.000 0.202 588 Q C 2.105 178.043 176.000 -0.104 0.000 0.963 588 Q CA 1.490 57.240 55.803 -0.088 0.000 0.866 588 Q CB -0.307 28.392 28.738 -0.066 0.000 0.931 588 Q HN 0.651 nan 8.270 nan 0.000 0.452 589 K N -1.005 119.336 120.400 -0.099 0.000 2.148 589 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 589 K C 1.507 178.016 176.600 -0.152 0.000 1.050 589 K CA 1.301 57.521 56.287 -0.112 0.000 0.942 589 K CB 0.119 32.566 32.500 -0.089 0.000 0.724 589 K HN 0.142 nan 8.250 nan 0.000 0.446 590 V N 1.426 121.246 119.914 -0.156 0.000 2.488 590 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 590 V C 2.166 178.104 176.094 -0.260 0.000 1.046 590 V CA 1.207 63.386 62.300 -0.202 0.000 1.053 590 V CB -0.268 31.441 31.823 -0.190 0.000 0.679 590 V HN 0.268 nan 8.190 nan 0.000 0.458 591 L N 0.289 121.377 121.223 -0.226 0.000 2.275 591 L HA -0.086 4.253 4.340 -0.000 0.000 0.215 591 L C 2.322 179.055 176.870 -0.229 0.000 1.119 591 L CA 0.980 55.675 54.840 -0.241 0.000 0.790 591 L CB -0.570 41.372 42.059 -0.195 0.000 0.919 591 L HN 0.342 nan 8.230 nan 0.000 0.443 592 N N 0.076 118.646 118.700 -0.216 0.000 2.109 592 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 592 N C 1.734 176.951 175.510 -0.488 0.000 1.034 592 N CA 1.100 54.015 53.050 -0.226 0.000 0.846 592 N CB -0.053 38.329 38.487 -0.175 0.000 1.010 592 N HN 0.314 nan 8.380 nan 0.000 0.425 593 E N 0.177 120.091 120.200 -0.477 0.000 2.160 593 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 593 E C 1.776 178.212 176.600 -0.273 0.000 0.991 593 E CA 0.681 56.793 56.400 -0.480 0.000 0.810 593 E CB 0.097 29.644 29.700 -0.255 0.000 0.742 593 E HN 0.084 nan 8.360 nan 0.000 0.466 594 V N 0.846 120.571 119.914 -0.316 0.000 2.453 594 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 594 V C 2.183 178.110 176.094 -0.279 0.000 1.048 594 V CA 1.907 63.973 62.300 -0.390 0.000 1.049 594 V CB -0.437 30.966 31.823 -0.701 0.000 0.672 594 V HN 0.306 nan 8.190 nan 0.000 0.457 595 T N -1.028 113.434 114.554 -0.154 0.000 2.929 595 T HA -0.167 4.183 4.350 -0.000 0.000 0.271 595 T C 1.705 176.536 174.700 0.217 0.000 1.085 595 T CA 1.393 63.502 62.100 0.015 0.000 1.125 595 T CB -0.289 68.614 68.868 0.058 0.000 0.874 595 T HN 0.564 nan 8.240 nan 0.000 0.494 596 H N -0.627 118.437 119.070 -0.011 0.000 2.403 596 H HA 0.123 4.679 4.556 -0.000 0.000 0.298 596 H C 1.759 177.141 175.328 0.089 0.000 1.059 596 H CA 0.308 56.376 56.048 0.032 0.000 1.363 596 H CB -0.757 29.021 29.762 0.026 0.000 1.410 596 H HN 0.415 nan 8.280 nan 0.000 0.528 597 Y N 0.279 120.671 120.300 0.154 0.000 2.256 597 Y HA -0.300 4.250 4.550 -0.000 0.000 0.288 597 Y C 1.372 177.457 175.900 0.308 0.000 1.155 597 Y CA 1.364 59.559 58.100 0.157 0.000 1.203 597 Y CB -0.094 38.433 38.460 0.113 0.000 0.980 597 Y HN 0.133 nan 8.280 nan 0.000 0.530 598 Y N -1.338 119.128 120.300 0.277 0.000 2.517 598 Y HA 0.042 4.592 4.550 -0.000 0.000 0.281 598 Y C 1.842 177.771 175.900 0.050 0.000 1.125 598 Y CA 0.265 58.469 58.100 0.173 0.000 1.283 598 Y CB -0.372 38.197 38.460 0.181 0.000 1.042 598 Y HN 0.176 nan 8.280 nan 0.000 0.547 599 L N -2.080 119.244 121.223 0.167 0.000 2.453 599 L HA 0.009 4.349 4.340 -0.000 0.000 0.190 599 L C 2.277 179.141 176.870 -0.011 0.000 1.093 599 L CA 0.956 55.821 54.840 0.041 0.000 0.834 599 L CB -0.647 41.400 42.059 -0.020 0.000 1.090 599 L HN -0.083 nan 8.230 nan 0.000 0.489 600 T N -0.256 114.283 114.554 -0.026 0.000 2.812 600 T HA -0.110 4.240 4.350 -0.000 0.000 0.264 600 T C 1.530 176.186 174.700 -0.073 0.000 1.042 600 T CA 1.448 63.516 62.100 -0.053 0.000 1.140 600 T CB 0.133 68.972 68.868 -0.048 0.000 0.870 600 T HN 0.055 nan 8.240 nan 0.000 0.445 601 K N 0.228 120.556 120.400 -0.121 0.000 2.399 601 K HA 0.246 4.566 4.320 -0.000 0.000 0.204 601 K C -0.052 176.401 176.600 -0.244 0.000 1.023 601 K CA 0.086 56.225 56.287 -0.247 0.000 1.127 601 K CB 0.676 32.880 32.500 -0.493 0.000 0.856 601 K HN 0.066 nan 8.250 nan 0.000 0.514 602 E N 0.296 120.436 120.200 -0.101 0.000 3.653 602 E HA 0.062 4.412 4.350 -0.000 0.000 0.275 602 E C -0.140 176.458 176.600 -0.003 0.000 1.139 602 E CA 0.083 56.460 56.400 -0.037 0.000 1.227 602 E CB 0.215 29.938 29.700 0.038 0.000 1.277 602 E HN 0.015 nan 8.360 nan 0.000 0.394 603 K N -0.548 119.840 120.400 -0.020 0.000 2.186 603 K HA 0.085 4.405 4.320 -0.000 0.000 0.202 603 K C 0.966 177.559 176.600 -0.011 0.000 1.052 603 K CA 0.683 56.962 56.287 -0.014 0.000 0.965 603 K CB 0.154 32.641 32.500 -0.022 0.000 0.746 603 K HN 0.057 nan 8.250 nan 0.000 0.457 604 N N 1.342 120.034 118.700 -0.013 0.000 2.331 604 N HA -0.077 4.663 4.740 -0.000 0.000 0.180 604 N C 0.912 176.419 175.510 -0.006 0.000 1.019 604 N CA 1.142 54.187 53.050 -0.008 0.000 0.881 604 N CB 0.012 38.494 38.487 -0.008 0.000 0.972 604 N HN 0.347 nan 8.380 nan 0.000 0.435 605 N N -1.217 117.479 118.700 -0.006 0.000 2.460 605 N HA 0.129 4.869 4.740 -0.000 0.000 0.193 605 N C -0.728 174.774 175.510 -0.014 0.000 1.080 605 N CA -0.044 53.002 53.050 -0.006 0.000 0.869 605 N CB 0.992 39.481 38.487 0.003 0.000 1.201 605 N HN -0.135 nan 8.380 nan 0.000 0.457 606 V N 1.896 121.805 119.914 -0.009 0.000 2.383 606 V HA 0.110 4.230 4.120 -0.000 0.000 0.275 606 V C 0.947 177.035 176.094 -0.010 0.000 1.036 606 V CA -0.012 62.279 62.300 -0.016 0.000 0.889 606 V CB 1.472 33.293 31.823 -0.004 0.000 0.985 606 V HN 0.142 nan 8.190 nan 0.000 0.459 607 E N 3.911 124.104 120.200 -0.011 0.000 2.122 607 E HA 0.021 4.371 4.350 -0.000 0.000 0.190 607 E C 0.823 177.432 176.600 0.015 0.000 0.977 607 E CA 1.043 57.447 56.400 0.007 0.000 0.820 607 E CB 0.363 30.072 29.700 0.015 0.000 0.770 607 E HN 0.853 nan 8.360 nan 0.000 0.462 608 S N -1.921 113.791 115.700 0.020 0.000 2.636 608 S HA 0.660 5.130 4.470 -0.000 0.000 0.268 608 S C -1.244 173.367 174.600 0.018 0.000 1.159 608 S CA -0.495 57.696 58.200 -0.015 0.000 0.815 608 S CB 1.337 64.622 63.200 0.143 0.000 1.130 608 S HN 0.014 nan 8.310 nan 0.000 0.471 609 V N 0.700 120.584 119.914 -0.050 0.000 3.007 609 V HA 0.738 4.858 4.120 -0.000 0.000 0.311 609 V C -1.510 174.692 176.094 0.181 0.000 1.120 609 V CA -0.666 61.679 62.300 0.075 0.000 0.980 609 V CB 1.724 33.581 31.823 0.056 0.000 1.033 609 V HN 0.971 nan 8.190 nan 0.000 0.429 610 F N 2.447 122.445 119.950 0.080 0.000 2.710 610 F HA 0.759 5.286 4.527 -0.000 0.000 0.345 610 F C 0.548 176.262 175.800 -0.143 0.000 1.362 610 F CA -0.317 57.738 58.000 0.092 0.000 1.175 610 F CB 0.449 39.578 39.000 0.214 0.000 1.561 610 F HN 0.736 nan 8.300 nan 0.000 0.593 611 A N 1.891 124.554 122.820 -0.262 0.000 2.406 611 A HA 0.638 4.958 4.320 -0.000 0.000 0.243 611 A C -0.766 176.568 177.584 -0.416 0.000 1.082 611 A CA -0.154 51.689 52.037 -0.323 0.000 0.786 611 A CB 0.654 19.506 19.000 -0.247 0.000 1.029 611 A HN 0.461 nan 8.150 nan 0.000 0.495 612 V N 2.821 122.532 119.914 -0.338 0.000 2.610 612 V HA 0.221 4.341 4.120 -0.000 0.000 0.298 612 V C -0.336 175.696 176.094 -0.104 0.000 1.067 612 V CA -0.743 61.426 62.300 -0.217 0.000 0.894 612 V CB 1.635 33.346 31.823 -0.186 0.000 1.015 612 V HN 1.004 nan 8.190 nan 0.000 0.432 613 N N 3.374 122.048 118.700 -0.044 0.000 2.422 613 N HA 0.498 5.238 4.740 -0.000 0.000 0.266 613 N C 0.718 176.262 175.510 0.056 0.000 1.007 613 N CA 0.746 53.785 53.050 -0.020 0.000 0.941 613 N CB 1.413 39.875 38.487 -0.041 0.000 1.115 613 N HN 1.117 nan 8.380 nan 0.000 0.492 614 G N 3.540 112.381 108.800 0.069 0.000 2.164 614 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.212 614 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.212 614 G C -0.497 174.536 174.900 0.222 0.000 1.031 614 G CA -0.160 45.005 45.100 0.109 0.000 0.730 614 G HN 0.644 nan 8.290 nan 0.000 0.501 615 F N 0.208 120.167 119.950 0.014 0.000 3.240 615 F HA 0.508 5.035 4.527 -0.000 0.000 0.370 615 F C 0.262 176.075 175.800 0.022 0.000 1.271 615 F CA -0.372 57.644 58.000 0.026 0.000 1.224 615 F CB 0.511 39.547 39.000 0.060 0.000 1.624 615 F HN 0.364 nan 8.300 nan 0.000 0.658 616 G N 2.425 111.291 108.800 0.110 0.000 2.521 616 G HA2 0.329 4.289 3.960 -0.000 0.000 0.323 616 G HA3 0.329 4.289 3.960 -0.000 0.000 0.323 616 G C -0.613 174.279 174.900 -0.014 0.000 1.211 616 G CA -0.545 44.542 45.100 -0.022 0.000 0.979 616 G HN 0.592 nan 8.290 nan 0.000 0.490 617 F N 0.740 120.716 119.950 0.043 0.000 2.797 617 F HA 0.227 4.754 4.527 -0.000 0.000 0.302 617 F C 2.426 178.290 175.800 0.107 0.000 1.130 617 F CA 0.371 58.431 58.000 0.100 0.000 1.387 617 F CB 0.242 39.293 39.000 0.085 0.000 1.107 617 F HN 0.441 nan 8.300 nan 0.000 0.577 618 A N -0.359 122.622 122.820 0.269 0.000 1.855 618 A HA 0.310 4.630 4.320 -0.000 0.000 0.215 618 A C 2.004 179.708 177.584 0.200 0.000 1.191 618 A CA 1.950 54.105 52.037 0.197 0.000 0.613 618 A CB -0.907 18.186 19.000 0.156 0.000 0.829 618 A HN 0.442 nan 8.150 nan 0.000 0.442 619 G N -2.367 106.560 108.800 0.212 0.000 3.307 619 G HA2 0.473 4.433 3.960 -0.000 0.000 0.147 619 G HA3 0.473 4.433 3.960 -0.000 0.000 0.147 619 G C -0.271 174.768 174.900 0.231 0.000 1.183 619 G CA 0.131 45.351 45.100 0.199 0.000 1.485 619 G HN 0.440 nan 8.290 nan 0.000 0.726 620 R N -1.224 119.375 120.500 0.166 0.000 2.728 620 R HA 0.571 4.910 4.340 -0.000 0.000 0.274 620 R C -0.920 175.445 176.300 0.107 0.000 1.030 620 R CA 0.161 56.348 56.100 0.145 0.000 0.876 620 R CB 2.068 32.396 30.300 0.047 0.000 1.259 620 R HN 1.926 nan 8.270 nan 0.000 0.468 621 G N 0.429 109.285 108.800 0.094 0.000 2.362 621 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.656 621 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.656 621 G C -0.526 174.419 174.900 0.075 0.000 1.376 621 G CA -0.441 44.703 45.100 0.074 0.000 0.971 621 G HN 0.577 nan 8.290 nan 0.000 0.636 622 Q N -0.451 119.384 119.800 0.058 0.000 2.387 622 Q HA 0.157 4.497 4.340 -0.000 0.000 0.211 622 Q C 1.101 177.123 176.000 0.036 0.000 0.952 622 Q CA 0.529 56.360 55.803 0.046 0.000 0.957 622 Q CB 0.099 28.858 28.738 0.036 0.000 1.002 622 Q HN 0.318 nan 8.270 nan 0.000 0.502 623 N N 1.003 119.730 118.700 0.045 0.000 2.280 623 N HA 0.005 4.745 4.740 -0.000 0.000 0.192 623 N C -0.358 175.170 175.510 0.030 0.000 1.109 623 N CA 0.619 53.690 53.050 0.035 0.000 0.855 623 N CB 0.747 39.262 38.487 0.047 0.000 0.974 623 N HN 0.489 nan 8.380 nan 0.000 0.482 624 T N -4.184 110.395 114.554 0.042 0.000 2.858 624 T HA 0.889 5.239 4.350 -0.000 0.000 0.285 624 T C 0.235 174.940 174.700 0.008 0.000 1.052 624 T CA -0.772 61.350 62.100 0.037 0.000 1.009 624 T CB 2.193 71.110 68.868 0.082 0.000 1.241 624 T HN -0.022 nan 8.240 nan 0.000 0.542 625 G N -0.827 107.957 108.800 -0.026 0.000 2.606 625 G HA2 0.647 4.607 3.960 -0.000 0.000 0.300 625 G HA3 0.647 4.607 3.960 -0.000 0.000 0.300 625 G C -2.190 172.619 174.900 -0.152 0.000 1.360 625 G CA -0.619 44.429 45.100 -0.087 0.000 0.783 625 G HN 1.103 nan 8.290 nan 0.000 0.484 626 I N -0.438 119.979 120.570 -0.255 0.000 2.750 626 I HA 0.634 4.804 4.170 -0.000 0.000 0.284 626 I C -0.722 175.067 176.117 -0.547 0.000 1.498 626 I CA -0.453 60.627 61.300 -0.367 0.000 1.078 626 I CB 1.337 39.062 38.000 -0.459 0.000 1.423 626 I HN 1.228 nan 8.210 nan 0.000 0.423 627 A N 6.794 129.361 122.820 -0.422 0.000 2.304 627 A HA 0.818 5.137 4.320 -0.000 0.000 0.323 627 A C -1.425 175.985 177.584 -0.291 0.000 1.195 627 A CA -0.265 51.561 52.037 -0.351 0.000 0.826 627 A CB 0.311 19.216 19.000 -0.159 0.000 1.184 627 A HN 0.437 nan 8.150 nan 0.000 0.496 628 F N 2.608 122.585 119.950 0.044 0.000 2.334 628 F HA 0.389 4.916 4.527 -0.000 0.000 0.367 628 F C 0.352 176.181 175.800 0.049 0.000 1.115 628 F CA -0.873 57.154 58.000 0.046 0.000 1.116 628 F CB 1.211 40.221 39.000 0.017 0.000 1.230 628 F HN 0.251 nan 8.300 nan 0.000 0.484 629 V N 2.379 122.308 119.914 0.026 0.000 2.649 629 V HA 0.347 4.467 4.120 -0.000 0.000 0.292 629 V C 0.211 176.272 176.094 -0.055 0.000 1.055 629 V CA -0.246 61.938 62.300 -0.194 0.000 1.023 629 V CB 1.667 32.943 31.823 -0.912 0.000 0.992 629 V HN 0.747 nan 8.190 nan 0.000 0.480 630 S N 5.535 121.223 115.700 -0.020 0.000 2.664 630 S HA 0.539 5.009 4.470 -0.000 0.000 0.262 630 S C -0.721 173.851 174.600 -0.047 0.000 1.229 630 S CA -0.677 57.517 58.200 -0.010 0.000 1.151 630 S CB 0.073 63.322 63.200 0.082 0.000 1.054 630 S HN 0.536 nan 8.310 nan 0.000 0.483 631 L N 3.774 124.943 121.223 -0.091 0.000 2.426 631 L HA 0.390 4.729 4.340 -0.000 0.000 0.271 631 L C 1.043 177.833 176.870 -0.134 0.000 1.169 631 L CA -0.685 54.098 54.840 -0.094 0.000 0.836 631 L CB 0.396 42.401 42.059 -0.090 0.000 1.112 631 L HN 0.435 nan 8.230 nan 0.000 0.465 632 K N 2.241 122.584 120.400 -0.096 0.000 2.518 632 K HA -0.045 4.275 4.320 -0.000 0.000 0.276 632 K C -0.227 176.262 176.600 -0.185 0.000 0.974 632 K CA -0.099 56.129 56.287 -0.098 0.000 0.986 632 K CB 0.366 32.836 32.500 -0.049 0.000 0.901 632 K HN 0.646 nan 8.250 nan 0.000 0.497 633 D N 1.500 121.788 120.400 -0.186 0.000 2.341 633 D HA -0.181 4.459 4.640 -0.000 0.000 0.233 633 D C 0.893 177.083 176.300 -0.183 0.000 1.270 633 D CA 0.369 54.198 54.000 -0.286 0.000 0.883 633 D CB 0.112 40.860 40.800 -0.088 0.000 1.207 633 D HN 0.512 nan 8.370 nan 0.000 0.471 634 W N -0.213 121.119 121.300 0.053 0.000 2.519 634 W HA 0.234 4.894 4.660 -0.000 0.000 0.266 634 W C 2.431 178.973 176.519 0.037 0.000 1.253 634 W CA 0.636 58.011 57.345 0.051 0.000 1.274 634 W CB -0.951 28.546 29.460 0.060 0.000 1.114 634 W HN 0.544 nan 8.180 nan 0.000 0.596 635 A N 0.680 123.649 122.820 0.249 0.000 1.898 635 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 635 A C 1.672 179.314 177.584 0.097 0.000 1.181 635 A CA 1.794 53.922 52.037 0.152 0.000 0.620 635 A CB -0.691 18.383 19.000 0.123 0.000 0.819 635 A HN 0.163 nan 8.150 nan 0.000 0.442 636 D N -0.779 119.664 120.400 0.071 0.000 2.349 636 D HA 0.033 4.673 4.640 -0.000 0.000 0.224 636 D C 0.291 176.615 176.300 0.041 0.000 1.029 636 D CA 0.402 54.428 54.000 0.043 0.000 0.879 636 D CB 0.057 40.870 40.800 0.021 0.000 0.906 636 D HN 0.317 nan 8.370 nan 0.000 0.528 637 R N 1.198 121.736 120.500 0.063 0.000 2.335 637 R HA 0.173 4.513 4.340 -0.000 0.000 0.302 637 R C -1.589 174.762 176.300 0.084 0.000 1.147 637 R CA -1.195 54.943 56.100 0.063 0.000 1.111 637 R CB 1.837 32.174 30.300 0.062 0.000 1.122 637 R HN -0.009 nan 8.270 nan 0.000 0.557 638 P HA 0.001 nan 4.420 nan 0.000 0.214 638 P C 0.738 178.069 177.300 0.052 0.000 1.163 638 P CA 0.619 63.753 63.100 0.057 0.000 0.881 638 P CB 0.226 31.950 31.700 0.039 0.000 0.775 639 G N -0.158 108.666 108.800 0.039 0.000 2.616 639 G HA2 0.013 3.973 3.960 -0.000 0.000 0.268 639 G HA3 0.013 3.973 3.960 -0.000 0.000 0.268 639 G C 0.812 175.734 174.900 0.036 0.000 1.213 639 G CA -0.258 44.861 45.100 0.031 0.000 0.926 639 G HN 0.117 nan 8.290 nan 0.000 0.523 640 E N -0.419 119.797 120.200 0.027 0.000 2.106 640 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 640 E C 2.152 178.763 176.600 0.017 0.000 0.984 640 E CA 0.874 57.289 56.400 0.025 0.000 0.806 640 E CB 0.066 29.775 29.700 0.015 0.000 0.750 640 E HN 0.513 nan 8.360 nan 0.000 0.458 641 E N 1.032 121.239 120.200 0.013 0.000 2.108 641 E HA -0.193 4.157 4.350 -0.000 0.000 0.203 641 E C 0.841 177.446 176.600 0.009 0.000 1.022 641 E CA 0.964 57.369 56.400 0.008 0.000 0.823 641 E CB -0.502 29.203 29.700 0.008 0.000 0.744 641 E HN 0.214 nan 8.360 nan 0.000 0.456 642 N N 1.569 120.279 118.700 0.018 0.000 3.052 642 N HA 0.031 4.771 4.740 -0.000 0.000 0.302 642 N C -0.025 175.504 175.510 0.032 0.000 1.332 642 N CA 0.129 53.191 53.050 0.020 0.000 1.129 642 N CB 0.486 38.987 38.487 0.024 0.000 1.436 642 N HN 0.088 nan 8.380 nan 0.000 0.536 643 K N -0.600 119.812 120.400 0.020 0.000 2.551 643 K HA 0.175 4.494 4.320 -0.000 0.000 0.269 643 K C 0.580 177.167 176.600 -0.022 0.000 0.949 643 K CA -0.454 55.854 56.287 0.034 0.000 0.849 643 K CB 1.242 33.786 32.500 0.075 0.000 1.411 643 K HN -0.201 nan 8.250 nan 0.000 0.432 644 V N 1.533 121.425 119.914 -0.036 0.000 2.439 644 V HA -0.240 3.879 4.120 -0.000 0.000 0.253 644 V C 2.295 178.277 176.094 -0.186 0.000 1.074 644 V CA 2.102 64.300 62.300 -0.170 0.000 1.076 644 V CB -0.595 31.157 31.823 -0.118 0.000 0.664 644 V HN 0.760 nan 8.190 nan 0.000 0.461 645 E N 0.545 120.696 120.200 -0.082 0.000 2.031 645 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 645 E C 2.359 178.915 176.600 -0.073 0.000 0.994 645 E CA 1.763 58.124 56.400 -0.065 0.000 0.800 645 E CB -0.324 29.363 29.700 -0.022 0.000 0.752 645 E HN 0.575 nan 8.360 nan 0.000 0.447 646 A N 0.553 123.341 122.820 -0.054 0.000 1.968 646 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 646 A C 2.335 179.887 177.584 -0.053 0.000 1.169 646 A CA 0.821 52.834 52.037 -0.040 0.000 0.638 646 A CB -0.453 18.537 19.000 -0.017 0.000 0.812 646 A HN 0.231 nan 8.150 nan 0.000 0.446 647 I N 0.167 120.677 120.570 -0.100 0.000 2.286 647 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 647 I C 2.604 178.627 176.117 -0.156 0.000 1.104 647 I CA 1.766 63.002 61.300 -0.108 0.000 1.397 647 I CB -0.239 37.660 38.000 -0.168 0.000 1.072 647 I HN 0.495 nan 8.210 nan 0.000 0.417 648 T N -2.167 112.204 114.554 -0.305 0.000 3.113 648 T HA 0.029 4.379 4.350 -0.000 0.000 0.256 648 T C 1.700 176.341 174.700 -0.100 0.000 1.131 648 T CA 0.329 62.276 62.100 -0.254 0.000 1.074 648 T CB 0.058 68.706 68.868 -0.367 0.000 0.944 648 T HN 0.188 nan 8.240 nan 0.000 0.516 649 M N 1.566 121.117 119.600 -0.081 0.000 2.191 649 M HA 0.100 4.580 4.480 -0.000 0.000 0.262 649 M C 2.625 178.891 176.300 -0.056 0.000 1.083 649 M CA 1.273 56.545 55.300 -0.046 0.000 1.154 649 M CB -0.002 32.579 32.600 -0.032 0.000 1.344 649 M HN 0.344 nan 8.290 nan 0.000 0.431 650 R N -0.363 120.111 120.500 -0.043 0.000 2.275 650 R HA 0.198 4.538 4.340 -0.000 0.000 0.199 650 R C 1.725 177.887 176.300 -0.231 0.000 0.989 650 R CA 0.845 56.921 56.100 -0.040 0.000 1.016 650 R CB -0.457 29.890 30.300 0.078 0.000 0.918 650 R HN 0.204 nan 8.270 nan 0.000 0.473 651 A N 1.919 124.546 122.820 -0.321 0.000 1.872 651 A HA -0.126 4.194 4.320 -0.000 0.000 0.214 651 A C 2.300 179.395 177.584 -0.816 0.000 1.187 651 A CA 1.678 53.224 52.037 -0.819 0.000 0.614 651 A CB -0.965 17.927 19.000 -0.180 0.000 0.826 651 A HN 0.507 nan 8.150 nan 0.000 0.442 652 T N -1.402 113.001 114.554 -0.251 0.000 2.788 652 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 652 T C 1.969 176.605 174.700 -0.106 0.000 1.044 652 T CA 1.386 63.460 62.100 -0.042 0.000 1.139 652 T CB -0.372 68.546 68.868 0.084 0.000 0.867 652 T HN 0.530 nan 8.240 nan 0.000 0.454 653 R N 1.585 121.989 120.500 -0.160 0.000 2.092 653 R HA 0.096 4.436 4.340 -0.000 0.000 0.231 653 R C 2.613 178.812 176.300 -0.168 0.000 1.119 653 R CA 1.268 57.300 56.100 -0.115 0.000 0.970 653 R CB -0.636 29.617 30.300 -0.078 0.000 0.864 653 R HN 0.464 nan 8.270 nan 0.000 0.440 654 A N 0.027 122.624 122.820 -0.371 0.000 2.014 654 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 654 A C 1.446 178.872 177.584 -0.262 0.000 1.163 654 A CA 0.693 52.502 52.037 -0.381 0.000 0.652 654 A CB -0.258 18.338 19.000 -0.673 0.000 0.808 654 A HN 0.358 nan 8.150 nan 0.000 0.449 655 F N 0.570 120.410 119.950 -0.182 0.000 2.789 655 F HA 0.060 4.587 4.527 -0.000 0.000 0.300 655 F C 2.299 178.017 175.800 -0.138 0.000 1.132 655 F CA 0.492 58.392 58.000 -0.167 0.000 1.404 655 F CB -0.381 38.507 39.000 -0.188 0.000 1.114 655 F HN 0.271 nan 8.300 nan 0.000 0.584 656 S N -1.850 113.873 115.700 0.038 0.000 2.517 656 S HA 0.048 4.518 4.470 -0.000 0.000 0.214 656 S C 1.666 176.264 174.600 -0.003 0.000 0.991 656 S CA -0.016 58.187 58.200 0.005 0.000 0.906 656 S CB 0.114 63.323 63.200 0.015 0.000 0.789 656 S HN 0.242 nan 8.310 nan 0.000 0.513 657 Q N 1.611 121.408 119.800 -0.005 0.000 2.240 657 Q HA 0.313 4.653 4.340 -0.000 0.000 0.194 657 Q C 1.662 177.664 176.000 0.003 0.000 0.982 657 Q CA 0.963 56.763 55.803 -0.005 0.000 0.842 657 Q CB -0.107 28.625 28.738 -0.011 0.000 0.941 657 Q HN 0.783 nan 8.270 nan 0.000 0.516 658 I N -1.091 119.488 120.570 0.015 0.000 3.837 658 I HA 0.357 4.527 4.170 -0.000 0.000 0.332 658 I C -0.274 175.853 176.117 0.016 0.000 1.484 658 I CA -0.229 61.082 61.300 0.019 0.000 1.223 658 I CB 0.133 38.152 38.000 0.032 0.000 1.257 658 I HN -0.205 nan 8.210 nan 0.000 0.421 659 K N 1.201 121.603 120.400 0.003 0.000 2.409 659 K HA 0.498 4.818 4.320 -0.000 0.000 0.252 659 K C -0.765 175.812 176.600 -0.038 0.000 1.036 659 K CA -0.448 55.824 56.287 -0.025 0.000 0.871 659 K CB 1.438 33.918 32.500 -0.033 0.000 1.374 659 K HN 0.327 nan 8.250 nan 0.000 0.459 660 D N -1.224 119.143 120.400 -0.055 0.000 2.712 660 D HA 0.370 5.009 4.640 -0.000 0.000 0.300 660 D C -0.190 176.074 176.300 -0.061 0.000 1.521 660 D CA -0.460 53.510 54.000 -0.050 0.000 0.790 660 D CB 0.855 41.631 40.800 -0.041 0.000 1.155 660 D HN 0.375 nan 8.370 nan 0.000 0.456 661 A N 0.087 122.856 122.820 -0.084 0.000 2.446 661 A HA 0.836 5.156 4.320 -0.000 0.000 0.199 661 A C -0.782 176.726 177.584 -0.127 0.000 1.677 661 A CA -0.379 51.603 52.037 -0.092 0.000 1.600 661 A CB 0.759 19.700 19.000 -0.099 0.000 1.583 661 A HN 0.098 nan 8.150 nan 0.000 0.551 662 M N 0.570 120.059 119.600 -0.186 0.000 2.412 662 M HA 0.413 4.893 4.480 -0.000 0.000 0.185 662 M C -1.930 174.107 176.300 -0.439 0.000 0.985 662 M CA 0.342 55.458 55.300 -0.308 0.000 0.950 662 M CB 1.852 34.341 32.600 -0.184 0.000 2.903 662 M HN 0.253 nan 8.290 nan 0.000 0.392 663 V N 3.516 123.111 119.914 -0.531 0.000 2.680 663 V HA 0.650 4.770 4.120 -0.000 0.000 0.309 663 V C -0.531 175.268 176.094 -0.492 0.000 1.052 663 V CA -0.342 61.687 62.300 -0.452 0.000 0.908 663 V CB 1.987 33.563 31.823 -0.412 0.000 1.001 663 V HN 0.711 nan 8.190 nan 0.000 0.431 664 F N 1.257 121.267 119.950 0.100 0.000 2.060 664 F HA 0.828 5.355 4.527 -0.000 0.000 0.218 664 F C 0.746 176.694 175.800 0.247 0.000 1.186 664 F CA 0.369 58.479 58.000 0.184 0.000 1.281 664 F CB -0.347 38.775 39.000 0.202 0.000 1.741 664 F HN 0.699 nan 8.300 nan 0.000 0.359 665 A N 0.607 123.691 122.820 0.442 0.000 2.434 665 A HA 0.268 4.588 4.320 -0.000 0.000 0.686 665 A C -0.996 176.735 177.584 0.245 0.000 0.138 665 A CA -0.402 51.797 52.037 0.271 0.000 0.025 665 A CB -2.213 17.029 19.000 0.404 0.000 3.973 665 A HN 0.779 nan 8.150 nan 0.000 0.548 666 F N 1.074 121.194 119.950 0.282 0.000 2.579 666 F HA 0.822 5.349 4.527 -0.000 0.000 0.324 666 F C 0.225 176.130 175.800 0.175 0.000 1.058 666 F CA -0.911 57.188 58.000 0.164 0.000 0.944 666 F CB 0.861 39.926 39.000 0.109 0.000 1.245 666 F HN 0.754 nan 8.300 nan 0.000 0.477 667 N N 1.091 119.978 118.700 0.311 0.000 2.354 667 N HA 0.269 5.009 4.740 -0.000 0.000 0.246 667 N C -1.209 174.492 175.510 0.318 0.000 1.285 667 N CA -0.748 52.429 53.050 0.211 0.000 0.925 667 N CB 0.684 39.232 38.487 0.101 0.000 1.174 667 N HN 0.759 nan 8.380 nan 0.000 0.478 668 L N 1.295 122.651 121.223 0.221 0.000 2.283 668 L HA 0.367 4.707 4.340 -0.000 0.000 0.281 668 L C -1.829 175.090 176.870 0.083 0.000 1.033 668 L CA -2.112 52.845 54.840 0.195 0.000 0.848 668 L CB 0.867 43.027 42.059 0.169 0.000 1.226 668 L HN 0.592 nan 8.230 nan 0.000 0.429 669 P HA -0.123 nan 4.420 nan 0.000 0.214 669 P C 0.799 178.062 177.300 -0.063 0.000 1.163 669 P CA 2.255 65.351 63.100 -0.006 0.000 0.889 669 P CB 0.480 32.165 31.700 -0.026 0.000 0.790 670 A N -2.451 120.318 122.820 -0.084 0.000 4.695 670 A HA -0.264 4.056 4.320 -0.000 0.000 0.256 670 A C 1.066 178.494 177.584 -0.260 0.000 2.333 670 A CA 0.437 52.366 52.037 -0.179 0.000 0.716 670 A CB -2.081 16.764 19.000 -0.257 0.000 1.004 670 A HN 0.128 nan 8.150 nan 0.000 0.309 671 I N -2.294 117.992 120.570 -0.474 0.000 4.908 671 I HA -0.280 3.889 4.170 -0.000 0.000 0.038 671 I C 1.174 177.204 176.117 -0.144 0.000 0.635 671 I CA 2.685 63.808 61.300 -0.294 0.000 0.213 671 I CB -1.666 36.252 38.000 -0.136 0.000 0.323 671 I HN 1.829 nan 8.210 nan 0.000 0.152 672 V N -2.889 116.986 119.914 -0.064 0.000 3.109 672 V HA 0.359 4.479 4.120 -0.000 0.000 0.311 672 V C 0.797 176.859 176.094 -0.053 0.000 1.389 672 V CA -0.602 61.667 62.300 -0.052 0.000 1.034 672 V CB 1.054 32.864 31.823 -0.021 0.000 1.105 672 V HN 0.605 nan 8.190 nan 0.000 0.477 673 E N 0.386 120.548 120.200 -0.064 0.000 2.110 673 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 673 E C 0.998 177.571 176.600 -0.045 0.000 0.988 673 E CA 1.287 57.639 56.400 -0.081 0.000 0.804 673 E CB -0.036 29.607 29.700 -0.095 0.000 0.745 673 E HN 0.616 nan 8.360 nan 0.000 0.458 674 L N -2.292 118.922 121.223 -0.015 0.000 2.482 674 L HA 0.458 4.798 4.340 -0.000 0.000 0.242 674 L C 0.952 177.830 176.870 0.013 0.000 1.210 674 L CA 0.234 55.073 54.840 -0.001 0.000 0.819 674 L CB 0.377 42.443 42.059 0.013 0.000 1.203 674 L HN 0.211 nan 8.230 nan 0.000 0.495 675 G N -0.247 108.550 108.800 -0.006 0.000 2.256 675 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.272 675 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.272 675 G C 0.431 175.376 174.900 0.075 0.000 1.076 675 G CA 0.419 45.515 45.100 -0.007 0.000 0.882 675 G HN 0.958 nan 8.290 nan 0.000 0.497 676 T N -0.136 114.437 114.554 0.031 0.000 2.857 676 T HA 0.394 4.744 4.350 -0.000 0.000 0.266 676 T C 1.547 176.274 174.700 0.044 0.000 1.048 676 T CA 1.731 63.846 62.100 0.026 0.000 1.139 676 T CB -0.224 68.634 68.868 -0.017 0.000 0.874 676 T HN 2.397 nan 8.240 nan 0.000 0.455 677 A N 1.339 124.182 122.820 0.038 0.000 2.434 677 A HA 0.169 4.489 4.320 -0.000 0.000 0.686 677 A C 0.996 178.602 177.584 0.037 0.000 0.138 677 A CA 0.973 53.037 52.037 0.046 0.000 0.027 677 A CB -2.131 16.918 19.000 0.081 0.000 3.972 677 A HN 1.873 nan 8.150 nan 0.000 0.548 678 T N -1.485 113.092 114.554 0.037 0.000 4.039 678 T HA 0.298 4.648 4.350 -0.000 0.000 0.352 678 T C 1.362 176.090 174.700 0.047 0.000 0.756 678 T CA 2.263 64.387 62.100 0.039 0.000 1.923 678 T CB -2.259 66.625 68.868 0.027 0.000 1.848 678 T HN 3.117 nan 8.240 nan 0.000 0.835 679 G N 0.138 108.975 108.800 0.060 0.000 2.677 679 G HA2 0.774 4.734 3.960 -0.000 0.000 0.291 679 G HA3 0.774 4.734 3.960 -0.000 0.000 0.291 679 G C -1.020 173.955 174.900 0.125 0.000 1.435 679 G CA -0.576 44.547 45.100 0.038 0.000 0.826 679 G HN 1.322 nan 8.290 nan 0.000 0.491 680 F N -1.029 118.926 119.950 0.008 0.000 2.715 680 F HA 0.856 5.383 4.527 -0.000 0.000 0.318 680 F C -1.873 174.003 175.800 0.127 0.000 1.141 680 F CA -1.387 56.648 58.000 0.059 0.000 0.950 680 F CB 2.381 41.455 39.000 0.123 0.000 1.374 680 F HN 0.450 nan 8.300 nan 0.000 0.477 681 D N 1.228 121.932 120.400 0.507 0.000 2.330 681 D HA 0.255 4.895 4.640 -0.000 0.000 0.249 681 D C -1.549 175.048 176.300 0.494 0.000 1.306 681 D CA -0.153 54.041 54.000 0.323 0.000 0.956 681 D CB 0.570 41.448 40.800 0.130 0.000 1.261 681 D HN 0.514 nan 8.370 nan 0.000 0.544 682 F N 2.084 122.227 119.950 0.321 0.000 2.399 682 F HA 0.540 5.066 4.527 -0.000 0.000 0.313 682 F C 0.205 175.856 175.800 -0.247 0.000 1.202 682 F CA -0.109 57.755 58.000 -0.227 0.000 1.192 682 F CB 0.986 39.850 39.000 -0.227 0.000 1.256 682 F HN 0.294 nan 8.300 nan 0.000 0.558 683 E N 3.026 122.581 120.200 -1.075 0.000 2.343 683 E HA 0.380 4.730 4.350 -0.000 0.000 0.286 683 E C -2.208 173.928 176.600 -0.773 0.000 0.915 683 E CA -0.876 55.122 56.400 -0.670 0.000 0.784 683 E CB 1.276 30.607 29.700 -0.615 0.000 1.251 683 E HN 0.562 nan 8.360 nan 0.000 0.407 684 L N 5.507 126.549 121.223 -0.301 0.000 2.275 684 L HA 0.628 4.968 4.340 -0.000 0.000 0.288 684 L C -1.494 175.313 176.870 -0.106 0.000 1.046 684 L CA -0.132 54.630 54.840 -0.129 0.000 0.805 684 L CB 0.803 42.903 42.059 0.067 0.000 1.193 684 L HN 0.638 nan 8.230 nan 0.000 0.426 685 I N 3.527 124.042 120.570 -0.091 0.000 2.562 685 I HA 0.305 4.475 4.170 -0.000 0.000 0.301 685 I C -0.747 175.365 176.117 -0.009 0.000 1.003 685 I CA -0.621 60.651 61.300 -0.046 0.000 1.127 685 I CB 1.950 39.913 38.000 -0.060 0.000 1.304 685 I HN 0.703 nan 8.210 nan 0.000 0.446 686 D N 4.285 124.691 120.400 0.010 0.000 2.359 686 D HA 0.168 4.807 4.640 -0.000 0.000 0.230 686 D C 0.304 176.612 176.300 0.014 0.000 1.118 686 D CA -0.076 53.933 54.000 0.015 0.000 0.844 686 D CB 1.437 42.253 40.800 0.026 0.000 1.059 686 D HN 0.385 nan 8.370 nan 0.000 0.493 687 Q N 2.800 122.604 119.800 0.005 0.000 2.259 687 Q HA 0.314 4.654 4.340 -0.000 0.000 0.201 687 Q C 0.699 176.702 176.000 0.005 0.000 0.938 687 Q CA 0.396 56.200 55.803 0.001 0.000 0.872 687 Q CB 0.334 29.065 28.738 -0.011 0.000 0.971 687 Q HN 0.624 nan 8.270 nan 0.000 0.494 688 A N -0.794 122.030 122.820 0.006 0.000 2.336 688 A HA 0.538 4.858 4.320 -0.000 0.000 0.278 688 A C 0.933 178.524 177.584 0.012 0.000 1.371 688 A CA 0.063 52.105 52.037 0.008 0.000 0.842 688 A CB -0.411 18.593 19.000 0.007 0.000 1.363 688 A HN 0.375 nan 8.150 nan 0.000 0.517 689 G N -0.556 108.251 108.800 0.012 0.000 3.496 689 G HA2 0.450 4.410 3.960 -0.000 0.000 0.273 689 G HA3 0.450 4.410 3.960 -0.000 0.000 0.273 689 G C 0.219 175.129 174.900 0.017 0.000 1.279 689 G CA -0.166 44.943 45.100 0.015 0.000 1.041 689 G HN 0.537 nan 8.290 nan 0.000 0.539 690 L N -1.269 119.965 121.223 0.018 0.000 2.479 690 L HA 0.883 5.223 4.340 -0.000 0.000 0.249 690 L C 1.011 177.900 176.870 0.032 0.000 1.178 690 L CA -0.807 54.046 54.840 0.020 0.000 0.811 690 L CB 0.287 42.355 42.059 0.014 0.000 1.187 690 L HN 0.019 nan 8.230 nan 0.000 0.480 691 G N -2.454 106.369 108.800 0.038 0.000 3.107 691 G HA2 0.252 4.212 3.960 -0.000 0.000 0.232 691 G HA3 0.252 4.212 3.960 -0.000 0.000 0.232 691 G C -0.016 174.936 174.900 0.086 0.000 1.339 691 G CA -0.285 44.854 45.100 0.066 0.000 1.033 691 G HN 0.777 nan 8.290 nan 0.000 0.567 692 H N -0.451 118.632 119.070 0.022 0.000 2.495 692 H HA -0.004 4.552 4.556 -0.000 0.000 0.287 692 H C 2.300 177.641 175.328 0.022 0.000 1.033 692 H CA 2.231 58.294 56.048 0.025 0.000 1.307 692 H CB 0.318 30.099 29.762 0.031 0.000 1.401 692 H HN 0.622 nan 8.280 nan 0.000 0.555 693 E N 0.240 120.443 120.200 0.006 0.000 2.112 693 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 693 E C 1.588 178.148 176.600 -0.067 0.000 0.979 693 E CA 0.691 57.068 56.400 -0.038 0.000 0.814 693 E CB 0.045 29.760 29.700 0.024 0.000 0.762 693 E HN 0.428 nan 8.360 nan 0.000 0.460 694 K N 0.621 120.998 120.400 -0.040 0.000 2.365 694 K HA 0.080 4.400 4.320 -0.000 0.000 0.197 694 K C 2.104 178.674 176.600 -0.051 0.000 1.042 694 K CA 0.243 56.509 56.287 -0.035 0.000 0.987 694 K CB 0.212 32.705 32.500 -0.011 0.000 0.779 694 K HN 0.126 nan 8.250 nan 0.000 0.484 695 L N 0.891 122.067 121.223 -0.078 0.000 2.131 695 L HA -0.097 4.242 4.340 -0.000 0.000 0.206 695 L C 2.114 178.913 176.870 -0.119 0.000 1.087 695 L CA 1.100 55.891 54.840 -0.081 0.000 0.767 695 L CB -0.152 41.866 42.059 -0.068 0.000 0.917 695 L HN 0.078 nan 8.230 nan 0.000 0.441 696 T N -0.843 113.586 114.554 -0.207 0.000 2.746 696 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 696 T C 1.837 176.475 174.700 -0.102 0.000 1.039 696 T CA 1.124 63.113 62.100 -0.185 0.000 1.142 696 T CB -0.078 68.644 68.868 -0.245 0.000 0.866 696 T HN 0.250 nan 8.240 nan 0.000 0.444 697 Q N 0.373 120.121 119.800 -0.086 0.000 2.167 697 Q HA 0.094 4.433 4.340 -0.000 0.000 0.202 697 Q C 2.509 178.484 176.000 -0.042 0.000 0.970 697 Q CA 1.366 57.135 55.803 -0.057 0.000 0.855 697 Q CB -0.501 28.209 28.738 -0.046 0.000 0.911 697 Q HN 0.568 nan 8.270 nan 0.000 0.438 698 A N 1.245 124.042 122.820 -0.039 0.000 1.897 698 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 698 A C 2.061 179.633 177.584 -0.020 0.000 1.181 698 A CA 1.457 53.481 52.037 -0.022 0.000 0.620 698 A CB -0.432 18.561 19.000 -0.011 0.000 0.821 698 A HN 0.281 nan 8.150 nan 0.000 0.443 699 R N 0.422 120.908 120.500 -0.023 0.000 2.148 699 R HA -0.057 4.283 4.340 -0.000 0.000 0.223 699 R C 1.357 177.641 176.300 -0.027 0.000 1.088 699 R CA 1.833 57.925 56.100 -0.014 0.000 0.985 699 R CB -1.029 29.268 30.300 -0.006 0.000 0.880 699 R HN 0.573 nan 8.270 nan 0.000 0.451 700 N N 0.665 119.344 118.700 -0.034 0.000 2.166 700 N HA -0.195 4.545 4.740 -0.000 0.000 0.186 700 N C 1.930 177.419 175.510 -0.036 0.000 1.019 700 N CA 1.460 54.489 53.050 -0.035 0.000 0.856 700 N CB -0.009 38.454 38.487 -0.040 0.000 0.993 700 N HN 0.393 nan 8.380 nan 0.000 0.426 701 Q N 0.357 120.137 119.800 -0.034 0.000 2.172 701 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 701 Q C 2.019 177.992 176.000 -0.044 0.000 0.964 701 Q CA 0.735 56.518 55.803 -0.032 0.000 0.855 701 Q CB 0.072 28.795 28.738 -0.025 0.000 0.918 701 Q HN 0.483 nan 8.270 nan 0.000 0.444 702 L N -0.553 120.637 121.223 -0.055 0.000 2.240 702 L HA -0.008 4.331 4.340 -0.000 0.000 0.211 702 L C 1.628 178.433 176.870 -0.108 0.000 1.106 702 L CA 0.762 55.546 54.840 -0.094 0.000 0.793 702 L CB 0.033 42.028 42.059 -0.108 0.000 0.927 702 L HN 0.239 nan 8.230 nan 0.000 0.446 703 L N 0.073 121.251 121.223 -0.075 0.000 2.291 703 L HA -0.013 4.327 4.340 -0.000 0.000 0.214 703 L C 2.716 179.546 176.870 -0.068 0.000 1.120 703 L CA 0.837 55.637 54.840 -0.067 0.000 0.799 703 L CB -0.602 41.432 42.059 -0.042 0.000 0.925 703 L HN 0.358 nan 8.230 nan 0.000 0.446 704 A N -0.589 122.195 122.820 -0.060 0.000 1.903 704 A HA -0.071 4.249 4.320 -0.000 0.000 0.213 704 A C 2.182 179.728 177.584 -0.063 0.000 1.185 704 A CA 0.748 52.754 52.037 -0.050 0.000 0.628 704 A CB -0.121 18.860 19.000 -0.033 0.000 0.830 704 A HN 0.239 nan 8.150 nan 0.000 0.446 705 E N 0.299 120.457 120.200 -0.070 0.000 2.152 705 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 705 E C 2.192 178.632 176.600 -0.267 0.000 0.983 705 E CA 1.070 57.424 56.400 -0.076 0.000 0.818 705 E CB -0.465 29.226 29.700 -0.014 0.000 0.758 705 E HN 0.560 nan 8.360 nan 0.000 0.467 706 A N 1.192 123.874 122.820 -0.231 0.000 1.930 706 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 706 A C 2.143 179.592 177.584 -0.224 0.000 1.175 706 A CA 1.575 53.454 52.037 -0.264 0.000 0.627 706 A CB -0.131 18.766 19.000 -0.171 0.000 0.815 706 A HN 0.199 nan 8.150 nan 0.000 0.443 707 A N -0.691 122.040 122.820 -0.148 0.000 2.423 707 A HA 0.361 4.681 4.320 -0.000 0.000 0.246 707 A C 1.258 178.796 177.584 -0.076 0.000 1.278 707 A CA 0.802 52.781 52.037 -0.096 0.000 0.903 707 A CB -0.205 18.759 19.000 -0.060 0.000 0.997 707 A HN 0.546 nan 8.150 nan 0.000 0.510 708 K N -0.527 119.817 120.400 -0.095 0.000 2.477 708 K HA 0.123 4.443 4.320 -0.000 0.000 0.208 708 K C 0.364 176.995 176.600 0.050 0.000 1.117 708 K CA 0.413 56.688 56.287 -0.019 0.000 1.039 708 K CB -0.084 32.422 32.500 0.009 0.000 0.937 708 K HN 0.434 nan 8.250 nan 0.000 0.570 709 H N -0.246 118.808 119.070 -0.026 0.000 2.901 709 H HA 0.400 4.956 4.556 -0.000 0.000 0.227 709 H C -2.918 172.396 175.328 -0.024 0.000 1.390 709 H CA -1.430 54.604 56.048 -0.024 0.000 1.120 709 H CB 0.700 30.446 29.762 -0.027 0.000 2.131 709 H HN 0.026 nan 8.280 nan 0.000 0.549 710 P HA 0.301 nan 4.420 nan 0.000 0.303 710 P C -0.560 176.738 177.300 -0.004 0.000 1.370 710 P CA -0.056 63.011 63.100 -0.054 0.000 0.854 710 P CB 1.624 33.273 31.700 -0.086 0.000 0.946 711 D N 1.891 122.300 120.400 0.014 0.000 2.945 711 D HA -0.100 4.539 4.640 -0.000 0.000 0.237 711 D C -1.000 175.319 176.300 0.032 0.000 1.025 711 D CA 0.210 54.232 54.000 0.036 0.000 0.848 711 D CB -1.514 39.328 40.800 0.069 0.000 1.010 711 D HN 0.207 nan 8.370 nan 0.000 0.428 712 M N 2.732 122.342 119.600 0.017 0.000 2.188 712 M HA 0.308 4.788 4.480 -0.000 0.000 0.354 712 M C 0.949 177.252 176.300 0.004 0.000 1.342 712 M CA -0.697 54.610 55.300 0.011 0.000 1.117 712 M CB 0.789 33.395 32.600 0.010 0.000 1.670 712 M HN 0.269 nan 8.290 nan 0.000 0.466 713 L N 1.729 122.953 121.223 0.000 0.000 2.294 713 L HA 0.512 4.852 4.340 -0.000 0.000 0.203 713 L C 0.113 176.981 176.870 -0.003 0.000 1.150 713 L CA -0.061 54.773 54.840 -0.009 0.000 0.847 713 L CB -1.563 40.490 42.059 -0.010 0.000 1.231 713 L HN 0.852 nan 8.230 nan 0.000 0.568 714 T N -3.332 111.218 114.554 -0.006 0.000 2.749 714 T HA 0.604 4.954 4.350 -0.000 0.000 0.310 714 T C -0.665 174.032 174.700 -0.003 0.000 1.496 714 T CA -0.227 61.880 62.100 0.012 0.000 1.006 714 T CB 0.916 69.798 68.868 0.023 0.000 1.457 714 T HN 1.163 nan 8.240 nan 0.000 0.497 715 S N -0.118 115.579 115.700 -0.005 0.000 2.779 715 S HA 0.717 5.187 4.470 -0.000 0.000 0.293 715 S C -0.717 173.849 174.600 -0.057 0.000 1.150 715 S CA -0.756 57.424 58.200 -0.033 0.000 1.057 715 S CB 0.777 63.950 63.200 -0.045 0.000 1.021 715 S HN 1.657 nan 8.310 nan 0.000 0.485 716 V N 0.948 120.835 119.914 -0.044 0.000 2.733 716 V HA 0.975 5.095 4.120 -0.000 0.000 0.306 716 V C -0.747 175.323 176.094 -0.041 0.000 1.084 716 V CA -0.837 61.435 62.300 -0.046 0.000 0.905 716 V CB 1.582 33.406 31.823 0.002 0.000 1.010 716 V HN 1.262 nan 8.190 nan 0.000 0.424 717 R N 3.927 124.399 120.500 -0.047 0.000 2.664 717 R HA 0.628 4.968 4.340 -0.000 0.000 0.266 717 R C -3.534 172.756 176.300 -0.016 0.000 1.046 717 R CA -1.363 54.722 56.100 -0.024 0.000 0.885 717 R CB 1.424 31.715 30.300 -0.015 0.000 1.254 717 R HN 0.540 nan 8.270 nan 0.000 0.465 718 P HA 0.074 nan 4.420 nan 0.000 0.271 718 P C -0.094 177.217 177.300 0.017 0.000 1.233 718 P CA -0.265 62.844 63.100 0.015 0.000 0.789 718 P CB 0.782 32.496 31.700 0.024 0.000 0.951 719 N N 0.483 119.198 118.700 0.025 0.000 2.135 719 N HA -0.030 4.710 4.740 -0.000 0.000 0.186 719 N C 0.745 176.286 175.510 0.052 0.000 1.027 719 N CA 1.799 54.867 53.050 0.029 0.000 0.849 719 N CB -0.237 38.269 38.487 0.032 0.000 1.002 719 N HN 0.691 nan 8.380 nan 0.000 0.425 720 G N -0.369 108.468 108.800 0.062 0.000 3.853 720 G HA2 0.210 4.170 3.960 -0.000 0.000 0.236 720 G HA3 0.210 4.170 3.960 -0.000 0.000 0.236 720 G C -1.083 173.867 174.900 0.083 0.000 3.905 720 G CA -0.478 44.667 45.100 0.076 0.000 0.533 720 G HN 0.108 nan 8.290 nan 0.000 0.246 721 L N 0.682 121.954 121.223 0.083 0.000 3.029 721 L HA 0.387 4.727 4.340 -0.000 0.000 0.231 721 L C 1.670 178.596 176.870 0.095 0.000 1.327 721 L CA -0.341 54.561 54.840 0.102 0.000 1.166 721 L CB 0.688 42.818 42.059 0.118 0.000 1.532 721 L HN 0.213 nan 8.230 nan 0.000 0.473 722 E N 0.652 120.905 120.200 0.087 0.000 2.279 722 E HA -0.268 4.081 4.350 -0.000 0.000 0.205 722 E C 0.232 176.886 176.600 0.090 0.000 1.028 722 E CA 1.280 57.729 56.400 0.081 0.000 0.830 722 E CB -0.146 29.597 29.700 0.072 0.000 0.736 722 E HN 0.485 nan 8.360 nan 0.000 0.478 723 D N -0.709 119.763 120.400 0.119 0.000 4.248 723 D HA -0.118 4.522 4.640 -0.000 0.000 0.248 723 D C -0.981 175.451 176.300 0.220 0.000 1.056 723 D CA 1.190 55.280 54.000 0.151 0.000 1.191 723 D CB -0.890 39.959 40.800 0.081 0.000 0.870 723 D HN 0.238 nan 8.370 nan 0.000 0.410 724 T N 0.686 115.390 114.554 0.251 0.000 2.916 724 T HA 0.866 5.216 4.350 -0.000 0.000 0.292 724 T C -2.817 172.020 174.700 0.228 0.000 1.055 724 T CA -1.605 60.645 62.100 0.251 0.000 1.009 724 T CB 2.710 71.670 68.868 0.154 0.000 1.118 724 T HN -0.031 nan 8.240 nan 0.000 0.497 725 P HA 0.409 nan 4.420 nan 0.000 0.274 725 P C -1.062 176.352 177.300 0.190 0.000 1.256 725 P CA -0.550 62.540 63.100 -0.016 0.000 0.795 725 P CB 0.307 31.961 31.700 -0.077 0.000 1.038 726 Q N -0.314 119.601 119.800 0.191 0.000 2.309 726 Q HA 0.378 4.718 4.340 -0.000 0.000 0.273 726 Q C -1.535 174.412 176.000 -0.088 0.000 1.040 726 Q CA -0.533 55.313 55.803 0.071 0.000 0.834 726 Q CB 1.800 30.552 28.738 0.022 0.000 1.345 726 Q HN 0.294 nan 8.270 nan 0.000 0.414 727 F N 3.087 122.741 119.950 -0.493 0.000 2.462 727 F HA 0.249 4.776 4.527 -0.000 0.000 0.354 727 F C 0.231 175.750 175.800 -0.469 0.000 1.192 727 F CA -0.396 57.130 58.000 -0.790 0.000 1.173 727 F CB 0.281 38.681 39.000 -1.001 0.000 1.402 727 F HN 0.338 nan 8.300 nan 0.000 0.595 728 K N 5.818 125.838 120.400 -0.633 0.000 2.270 728 K HA 0.421 4.741 4.320 -0.000 0.000 0.276 728 K C -0.840 175.389 176.600 -0.619 0.000 1.023 728 K CA -0.248 55.756 56.287 -0.472 0.000 0.955 728 K CB 0.580 32.902 32.500 -0.296 0.000 0.975 728 K HN 0.615 nan 8.250 nan 0.000 0.471 729 I N 3.470 123.808 120.570 -0.386 0.000 2.406 729 I HA 0.156 4.326 4.170 -0.000 0.000 0.290 729 I C -0.641 175.384 176.117 -0.153 0.000 0.999 729 I CA -0.727 60.403 61.300 -0.285 0.000 1.124 729 I CB 1.845 39.736 38.000 -0.182 0.000 1.289 729 I HN 0.629 nan 8.210 nan 0.000 0.441 730 D N 7.844 128.173 120.400 -0.119 0.000 2.443 730 D HA 0.366 5.006 4.640 -0.000 0.000 0.221 730 D C -0.138 176.154 176.300 -0.013 0.000 1.097 730 D CA -0.268 53.692 54.000 -0.067 0.000 0.865 730 D CB 1.468 42.227 40.800 -0.070 0.000 1.034 730 D HN 0.337 nan 8.370 nan 0.000 0.511 731 I N 2.515 123.081 120.570 -0.008 0.000 2.308 731 I HA 0.046 4.216 4.170 -0.000 0.000 0.293 731 I C 0.606 176.708 176.117 -0.024 0.000 1.078 731 I CA -0.412 60.891 61.300 0.006 0.000 1.292 731 I CB 0.560 38.522 38.000 -0.062 0.000 1.423 731 I HN 0.144 nan 8.210 nan 0.000 0.493 732 D N 5.177 125.585 120.400 0.014 0.000 2.390 732 D HA 0.023 4.663 4.640 -0.000 0.000 0.249 732 D C 0.992 177.267 176.300 -0.041 0.000 1.144 732 D CA 0.111 54.109 54.000 -0.003 0.000 0.880 732 D CB 1.066 41.882 40.800 0.027 0.000 1.182 732 D HN 0.432 nan 8.370 nan 0.000 0.451 733 Q N 2.226 121.996 119.800 -0.050 0.000 2.339 733 Q HA -0.065 4.275 4.340 -0.000 0.000 0.205 733 Q C 1.325 177.292 176.000 -0.055 0.000 0.925 733 Q CA 0.601 56.360 55.803 -0.073 0.000 0.898 733 Q CB 0.287 28.987 28.738 -0.063 0.000 1.013 733 Q HN 0.704 nan 8.270 nan 0.000 0.504 734 E N 0.684 120.866 120.200 -0.030 0.000 2.158 734 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 734 E C 1.688 178.284 176.600 -0.006 0.000 0.982 734 E CA 0.469 56.858 56.400 -0.018 0.000 0.823 734 E CB -0.039 29.656 29.700 -0.009 0.000 0.766 734 E HN 0.085 nan 8.360 nan 0.000 0.468 735 K N 0.962 121.367 120.400 0.008 0.000 2.148 735 K HA -0.002 4.318 4.320 -0.000 0.000 0.204 735 K C 2.262 178.889 176.600 0.044 0.000 1.050 735 K CA 0.995 57.307 56.287 0.042 0.000 0.942 735 K CB -0.091 32.458 32.500 0.081 0.000 0.724 735 K HN 0.160 nan 8.250 nan 0.000 0.446 736 A N 1.845 124.647 122.820 -0.030 0.000 1.841 736 A HA -0.193 4.127 4.320 -0.000 0.000 0.214 736 A C 2.110 179.646 177.584 -0.080 0.000 1.195 736 A CA 1.218 53.175 52.037 -0.133 0.000 0.611 736 A CB -0.559 18.245 19.000 -0.326 0.000 0.835 736 A HN 0.281 nan 8.150 nan 0.000 0.443 737 Q N -0.467 119.291 119.800 -0.071 0.000 2.226 737 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 737 Q C 2.341 178.329 176.000 -0.019 0.000 0.975 737 Q CA 1.089 56.864 55.803 -0.047 0.000 0.866 737 Q CB -0.432 28.280 28.738 -0.043 0.000 0.915 737 Q HN 0.689 nan 8.270 nan 0.000 0.440 738 A N 1.452 124.269 122.820 -0.006 0.000 1.859 738 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 738 A C 2.014 179.608 177.584 0.017 0.000 1.198 738 A CA 1.548 53.589 52.037 0.008 0.000 0.629 738 A CB -0.801 18.209 19.000 0.016 0.000 0.830 738 A HN 0.381 nan 8.150 nan 0.000 0.446 739 L N -2.113 119.129 121.223 0.031 0.000 2.492 739 L HA 0.326 4.666 4.340 -0.000 0.000 0.223 739 L C 1.338 178.229 176.870 0.035 0.000 1.132 739 L CA 0.435 55.301 54.840 0.044 0.000 0.850 739 L CB -0.826 41.278 42.059 0.076 0.000 0.966 739 L HN 0.615 nan 8.230 nan 0.000 0.454 740 G N 1.361 110.170 108.800 0.016 0.000 2.288 740 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.205 740 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.205 740 G C -0.151 174.749 174.900 -0.001 0.000 1.071 740 G CA -0.156 44.947 45.100 0.005 0.000 0.788 740 G HN 0.215 nan 8.290 nan 0.000 0.491 741 V N -2.036 117.860 119.914 -0.030 0.000 2.459 741 V HA 0.883 5.003 4.120 -0.000 0.000 0.295 741 V C 0.739 176.772 176.094 -0.103 0.000 1.029 741 V CA -0.480 61.785 62.300 -0.059 0.000 0.874 741 V CB 1.661 33.426 31.823 -0.097 0.000 0.985 741 V HN 0.758 nan 8.190 nan 0.000 0.438 742 S N 2.242 117.897 115.700 -0.075 0.000 2.565 742 S HA 0.436 4.906 4.470 -0.000 0.000 0.276 742 S C 0.959 175.487 174.600 -0.119 0.000 1.326 742 S CA -0.447 57.707 58.200 -0.077 0.000 1.045 742 S CB 0.453 63.629 63.200 -0.040 0.000 0.918 742 S HN 0.640 nan 8.310 nan 0.000 0.505 743 I N 4.371 124.868 120.570 -0.122 0.000 2.676 743 I HA -0.086 4.083 4.170 -0.000 0.000 0.259 743 I C 1.959 178.024 176.117 -0.086 0.000 1.194 743 I CA 0.520 61.736 61.300 -0.141 0.000 1.473 743 I CB -0.312 37.615 38.000 -0.121 0.000 1.096 743 I HN 0.536 nan 8.210 nan 0.000 0.443 744 N N 0.973 119.641 118.700 -0.053 0.000 2.039 744 N HA -0.192 4.548 4.740 -0.000 0.000 0.193 744 N C 1.537 177.042 175.510 -0.008 0.000 1.044 744 N CA 1.529 54.566 53.050 -0.023 0.000 0.847 744 N CB -0.525 37.953 38.487 -0.013 0.000 1.030 744 N HN 0.342 nan 8.380 nan 0.000 0.422 745 D N 0.691 121.085 120.400 -0.009 0.000 2.158 745 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 745 D C 1.987 178.313 176.300 0.043 0.000 0.995 745 D CA 0.796 54.810 54.000 0.023 0.000 0.846 745 D CB -0.062 40.753 40.800 0.024 0.000 0.941 745 D HN 0.304 nan 8.370 nan 0.000 0.456 746 I N 1.180 121.738 120.570 -0.022 0.000 2.353 746 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 746 I C 1.942 178.118 176.117 0.100 0.000 1.119 746 I CA 0.624 61.914 61.300 -0.016 0.000 1.417 746 I CB -0.132 37.685 38.000 -0.305 0.000 1.078 746 I HN -0.092 nan 8.210 nan 0.000 0.421 747 N N 0.101 118.823 118.700 0.037 0.000 2.331 747 N HA -0.126 4.614 4.740 -0.000 0.000 0.180 747 N C 1.911 177.460 175.510 0.065 0.000 1.019 747 N CA 1.752 54.833 53.050 0.051 0.000 0.881 747 N CB -0.359 38.139 38.487 0.018 0.000 0.972 747 N HN 0.377 nan 8.380 nan 0.000 0.435 748 T N -2.292 112.301 114.554 0.065 0.000 3.081 748 T HA 0.097 4.446 4.350 -0.000 0.000 0.250 748 T C 1.486 176.222 174.700 0.061 0.000 1.100 748 T CA 0.631 62.767 62.100 0.060 0.000 1.038 748 T CB -0.095 68.805 68.868 0.052 0.000 0.962 748 T HN -0.023 nan 8.240 nan 0.000 0.516 749 T N 1.647 116.262 114.554 0.101 0.000 2.894 749 T HA 0.201 4.551 4.350 -0.000 0.000 0.258 749 T C 1.581 176.237 174.700 -0.075 0.000 1.043 749 T CA 0.728 62.877 62.100 0.082 0.000 1.141 749 T CB -0.213 68.831 68.868 0.293 0.000 0.873 749 T HN 0.237 nan 8.240 nan 0.000 0.449 750 L N 1.128 122.379 121.223 0.046 0.000 2.209 750 L HA 0.342 4.681 4.340 -0.000 0.000 0.207 750 L C 2.354 179.226 176.870 0.003 0.000 1.094 750 L CA 1.296 56.107 54.840 -0.050 0.000 0.790 750 L CB -0.734 41.346 42.059 0.035 0.000 0.932 750 L HN 0.280 nan 8.230 nan 0.000 0.447 751 G N -1.346 107.465 108.800 0.019 0.000 2.411 751 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.213 751 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.213 751 G C 1.524 176.453 174.900 0.048 0.000 1.166 751 G CA 0.509 45.628 45.100 0.033 0.000 0.802 751 G HN 0.497 nan 8.290 nan 0.000 0.533 752 A N 0.892 123.728 122.820 0.026 0.000 1.970 752 A HA 0.477 4.797 4.320 -0.000 0.000 0.216 752 A C 2.668 180.243 177.584 -0.015 0.000 1.170 752 A CA 1.852 53.909 52.037 0.033 0.000 0.645 752 A CB -0.459 18.561 19.000 0.032 0.000 0.816 752 A HN 0.578 nan 8.150 nan 0.000 0.447 753 A N -1.241 121.482 122.820 -0.163 0.000 1.855 753 A HA 0.001 4.321 4.320 -0.000 0.000 0.213 753 A C 1.914 179.342 177.584 -0.260 0.000 1.195 753 A CA 1.272 53.074 52.037 -0.393 0.000 0.610 753 A CB -0.718 17.532 19.000 -1.250 0.000 0.837 753 A HN 0.679 nan 8.150 nan 0.000 0.444 754 W N -0.839 120.326 121.300 -0.225 0.000 2.539 754 W HA 0.251 4.911 4.660 -0.000 0.000 0.281 754 W C 2.357 178.851 176.519 -0.042 0.000 1.220 754 W CA 0.902 58.176 57.345 -0.118 0.000 1.332 754 W CB -0.307 29.058 29.460 -0.160 0.000 1.095 754 W HN 0.351 nan 8.180 nan 0.000 0.571 755 G N -0.914 107.992 108.800 0.177 0.000 2.833 755 G HA2 0.439 4.399 3.960 -0.000 0.000 0.210 755 G HA3 0.439 4.399 3.960 -0.000 0.000 0.210 755 G C 0.640 175.619 174.900 0.132 0.000 1.139 755 G CA 0.382 45.556 45.100 0.125 0.000 0.771 755 G HN 0.431 nan 8.290 nan 0.000 0.535 756 G N -1.055 107.831 108.800 0.142 0.000 2.712 756 G HA2 0.316 4.276 3.960 -0.000 0.000 0.683 756 G HA3 0.316 4.276 3.960 -0.000 0.000 0.683 756 G C -0.372 174.667 174.900 0.230 0.000 1.320 756 G CA 0.182 45.403 45.100 0.201 0.000 0.847 756 G HN 1.509 nan 8.290 nan 0.000 0.553 757 S N -1.201 114.678 115.700 0.299 0.000 2.605 757 S HA 0.482 4.952 4.470 -0.000 0.000 0.279 757 S C -0.984 173.674 174.600 0.097 0.000 1.166 757 S CA -0.275 58.050 58.200 0.209 0.000 0.975 757 S CB 1.094 64.361 63.200 0.112 0.000 1.111 757 S HN 1.898 nan 8.310 nan 0.000 0.465 758 Y N 6.463 126.663 120.300 -0.167 0.000 2.624 758 Y HA 0.387 4.936 4.550 -0.000 0.000 0.354 758 Y C 0.770 176.518 175.900 -0.253 0.000 1.051 758 Y CA -0.028 57.760 58.100 -0.520 0.000 1.377 758 Y CB -0.009 38.216 38.460 -0.392 0.000 1.168 758 Y HN 0.499 nan 8.280 nan 0.000 0.525 759 V N 4.788 124.478 119.914 -0.374 0.000 2.326 759 V HA 0.027 4.147 4.120 -0.000 0.000 0.238 759 V C 0.494 176.331 176.094 -0.428 0.000 1.038 759 V CA 1.215 63.332 62.300 -0.305 0.000 1.032 759 V CB -0.580 31.162 31.823 -0.136 0.000 0.675 759 V HN 0.707 nan 8.190 nan 0.000 0.467 760 N N -1.697 116.782 118.700 -0.367 0.000 2.927 760 N HA 0.260 5.000 4.740 -0.000 0.000 0.248 760 N C -2.170 173.335 175.510 -0.008 0.000 1.443 760 N CA -0.597 52.324 53.050 -0.215 0.000 0.870 760 N CB 1.836 40.285 38.487 -0.063 0.000 1.444 760 N HN 0.075 nan 8.380 nan 0.000 0.519 761 D N 0.579 121.029 120.400 0.085 0.000 2.181 761 D HA 0.430 5.070 4.640 -0.000 0.000 0.248 761 D C -0.684 175.802 176.300 0.310 0.000 1.020 761 D CA -0.007 54.128 54.000 0.225 0.000 0.891 761 D CB 1.281 42.173 40.800 0.154 0.000 1.187 761 D HN 0.431 nan 8.370 nan 0.000 0.443 762 F N -0.664 119.356 119.950 0.117 0.000 2.814 762 F HA 0.740 5.267 4.527 -0.000 0.000 0.353 762 F C -1.395 174.463 175.800 0.098 0.000 1.177 762 F CA -1.096 56.989 58.000 0.141 0.000 1.036 762 F CB 0.979 40.131 39.000 0.254 0.000 1.455 762 F HN 0.058 nan 8.300 nan 0.000 0.520 763 I N 1.501 121.827 120.570 -0.406 0.000 2.468 763 I HA 0.248 4.418 4.170 -0.000 0.000 0.284 763 I C -1.613 174.223 176.117 -0.468 0.000 1.038 763 I CA -0.117 60.902 61.300 -0.468 0.000 1.083 763 I CB 1.537 39.455 38.000 -0.136 0.000 1.223 763 I HN 0.581 nan 8.210 nan 0.000 0.443 764 D N 6.106 126.149 120.400 -0.594 0.000 2.349 764 D HA 0.426 5.066 4.640 -0.000 0.000 0.232 764 D C 0.354 176.613 176.300 -0.069 0.000 1.071 764 D CA -0.239 53.656 54.000 -0.176 0.000 0.832 764 D CB 0.717 41.481 40.800 -0.060 0.000 1.086 764 D HN 0.411 nan 8.370 nan 0.000 0.504 765 R N 3.055 123.556 120.500 0.000 0.000 3.525 765 R HA -0.227 4.113 4.340 -0.000 0.000 0.276 765 R C 1.026 177.320 176.300 -0.010 0.000 1.116 765 R CA 0.755 56.866 56.100 0.017 0.000 0.745 765 R CB -1.590 28.741 30.300 0.052 0.000 1.185 765 R HN 0.938 nan 8.270 nan 0.000 0.454 766 G N -0.386 108.393 108.800 -0.035 0.000 2.420 766 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.221 766 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.221 766 G C 0.194 175.053 174.900 -0.069 0.000 1.117 766 G CA 0.297 45.372 45.100 -0.041 0.000 0.657 766 G HN 0.413 nan 8.290 nan 0.000 0.512 767 R N 0.801 121.253 120.500 -0.081 0.000 2.438 767 R HA 0.520 4.860 4.340 -0.000 0.000 0.287 767 R C 0.303 176.504 176.300 -0.164 0.000 1.077 767 R CA 0.181 56.224 56.100 -0.096 0.000 1.034 767 R CB 1.229 31.484 30.300 -0.075 0.000 0.993 767 R HN 0.539 nan 8.270 nan 0.000 0.459 768 V N 5.361 125.194 119.914 -0.136 0.000 2.432 768 V HA 0.288 4.408 4.120 -0.000 0.000 0.271 768 V C -0.675 175.336 176.094 -0.137 0.000 1.046 768 V CA 0.096 62.297 62.300 -0.166 0.000 0.945 768 V CB 0.621 32.398 31.823 -0.077 0.000 0.992 768 V HN 0.803 nan 8.190 nan 0.000 0.471 769 K N 5.003 125.273 120.400 -0.217 0.000 2.246 769 K HA 0.634 4.954 4.320 -0.000 0.000 0.239 769 K C -0.936 175.772 176.600 0.180 0.000 1.089 769 K CA -1.156 55.115 56.287 -0.026 0.000 0.892 769 K CB 1.800 34.304 32.500 0.007 0.000 1.334 769 K HN 0.537 nan 8.250 nan 0.000 0.507 770 K N 0.620 121.195 120.400 0.292 0.000 2.132 770 K HA 0.497 4.816 4.320 -0.000 0.000 0.241 770 K C -0.839 175.987 176.600 0.376 0.000 1.000 770 K CA -0.827 55.674 56.287 0.356 0.000 0.911 770 K CB 1.566 34.175 32.500 0.180 0.000 1.093 770 K HN 0.141 nan 8.250 nan 0.000 0.460 771 V N 2.227 122.274 119.914 0.222 0.000 2.483 771 V HA 0.319 4.439 4.120 -0.000 0.000 0.297 771 V C -1.342 174.703 176.094 -0.081 0.000 1.027 771 V CA -0.869 61.425 62.300 -0.010 0.000 0.855 771 V CB 0.672 32.458 31.823 -0.063 0.000 0.995 771 V HN 0.594 nan 8.190 nan 0.000 0.424 772 Y N 2.673 122.938 120.300 -0.058 0.000 2.509 772 Y HA 0.758 5.307 4.550 -0.000 0.000 0.341 772 Y C -0.044 175.774 175.900 -0.137 0.000 1.038 772 Y CA -0.789 57.291 58.100 -0.034 0.000 1.089 772 Y CB 2.379 40.824 38.460 -0.025 0.000 1.241 772 Y HN 0.368 nan 8.280 nan 0.000 0.468 773 V N 4.299 124.270 119.914 0.094 0.000 2.638 773 V HA 0.424 4.544 4.120 -0.000 0.000 0.306 773 V C -0.397 175.749 176.094 0.085 0.000 1.052 773 V CA -0.308 62.005 62.300 0.022 0.000 0.885 773 V CB 1.748 33.586 31.823 0.025 0.000 0.999 773 V HN 1.022 nan 8.190 nan 0.000 0.424 774 M N 3.854 123.507 119.600 0.089 0.000 2.183 774 M HA 0.595 5.075 4.480 -0.000 0.000 0.239 774 M C -1.048 175.401 176.300 0.247 0.000 2.194 774 M CA 0.542 55.945 55.300 0.172 0.000 1.129 774 M CB 1.803 34.560 32.600 0.263 0.000 1.897 774 M HN 0.749 nan 8.290 nan 0.000 0.656 775 S N -0.193 115.760 115.700 0.421 0.000 2.714 775 S HA 0.258 4.728 4.470 -0.000 0.000 0.284 775 S C -1.646 173.183 174.600 0.383 0.000 1.019 775 S CA -1.109 57.344 58.200 0.420 0.000 0.856 775 S CB 0.507 63.942 63.200 0.392 0.000 1.075 775 S HN 0.533 nan 8.310 nan 0.000 0.455 776 E N 0.640 121.027 120.200 0.312 0.000 2.442 776 E HA 0.267 4.617 4.350 -0.000 0.000 0.262 776 E C 1.549 178.056 176.600 -0.155 0.000 1.004 776 E CA 0.366 56.781 56.400 0.025 0.000 0.928 776 E CB 0.650 30.414 29.700 0.106 0.000 0.937 776 E HN 0.773 nan 8.360 nan 0.000 0.446 777 A N 4.427 127.021 122.820 -0.377 0.000 1.940 777 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 777 A C 1.919 179.313 177.584 -0.317 0.000 1.176 777 A CA 2.083 53.906 52.037 -0.357 0.000 0.631 777 A CB -0.419 18.338 19.000 -0.404 0.000 0.814 777 A HN 0.708 nan 8.150 nan 0.000 0.446 778 K N -1.560 118.587 120.400 -0.422 0.000 2.365 778 K HA -0.092 4.228 4.320 -0.000 0.000 0.199 778 K C 0.784 177.106 176.600 -0.464 0.000 1.045 778 K CA 1.329 57.335 56.287 -0.469 0.000 0.962 778 K CB -0.419 31.737 32.500 -0.573 0.000 0.759 778 K HN 0.573 nan 8.250 nan 0.000 0.469 779 Y N 1.925 122.119 120.300 -0.176 0.000 2.495 779 Y HA 0.189 4.739 4.550 -0.000 0.000 0.293 779 Y C 0.078 175.800 175.900 -0.297 0.000 1.186 779 Y CA -0.673 57.315 58.100 -0.187 0.000 1.266 779 Y CB 0.288 38.617 38.460 -0.219 0.000 1.101 779 Y HN 0.146 nan 8.280 nan 0.000 0.517 780 R N -1.906 118.400 120.500 -0.324 0.000 2.499 780 R HA 0.275 4.615 4.340 -0.000 0.000 0.252 780 R C -0.429 175.731 176.300 -0.233 0.000 1.309 780 R CA -0.032 55.572 56.100 -0.828 0.000 1.425 780 R CB -0.507 29.073 30.300 -1.200 0.000 1.392 780 R HN 0.062 nan 8.270 nan 0.000 0.766 781 M N 0.134 119.718 119.600 -0.027 0.000 2.740 781 M HA 0.365 4.845 4.480 -0.000 0.000 0.253 781 M C 0.217 176.580 176.300 0.105 0.000 1.341 781 M CA 0.570 55.892 55.300 0.037 0.000 1.176 781 M CB 0.006 32.582 32.600 -0.041 0.000 1.310 781 M HN 0.280 nan 8.290 nan 0.000 0.531 782 L N -1.027 120.271 121.223 0.125 0.000 2.257 782 L HA 0.399 4.739 4.340 -0.000 0.000 0.257 782 L C -1.638 175.225 176.870 -0.012 0.000 1.033 782 L CA -1.868 52.997 54.840 0.041 0.000 0.835 782 L CB 0.606 42.679 42.059 0.024 0.000 1.398 782 L HN -0.188 nan 8.230 nan 0.000 0.429 783 P HA -0.077 nan 4.420 nan 0.000 0.220 783 P C 0.183 177.452 177.300 -0.052 0.000 1.148 783 P CA 1.000 63.832 63.100 -0.446 0.000 0.803 783 P CB 0.163 31.528 31.700 -0.558 0.000 0.782 784 D N -1.232 119.188 120.400 0.034 0.000 2.363 784 D HA -0.072 4.568 4.640 -0.000 0.000 0.220 784 D C 1.016 177.393 176.300 0.129 0.000 0.994 784 D CA 0.684 54.734 54.000 0.083 0.000 0.890 784 D CB -0.492 40.347 40.800 0.065 0.000 0.906 784 D HN 0.164 nan 8.370 nan 0.000 0.530 785 D N 0.110 120.635 120.400 0.207 0.000 2.349 785 D HA -0.009 4.631 4.640 -0.000 0.000 0.224 785 D C 1.861 178.445 176.300 0.474 0.000 1.029 785 D CA 0.052 54.228 54.000 0.293 0.000 0.879 785 D CB 0.414 41.391 40.800 0.296 0.000 0.906 785 D HN 0.218 nan 8.370 nan 0.000 0.528 786 I N 0.895 121.694 120.570 0.381 0.000 2.202 786 I HA -0.125 4.044 4.170 -0.000 0.000 0.242 786 I C 2.446 178.687 176.117 0.206 0.000 1.091 786 I CA 1.117 62.585 61.300 0.280 0.000 1.368 786 I CB -1.246 36.800 38.000 0.077 0.000 1.058 786 I HN -0.003 nan 8.210 nan 0.000 0.410 787 G N 0.258 109.137 108.800 0.132 0.000 2.679 787 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.212 787 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.212 787 G C 0.997 175.802 174.900 -0.158 0.000 1.137 787 G CA 0.306 45.420 45.100 0.024 0.000 0.787 787 G HN 0.345 nan 8.290 nan 0.000 0.534 788 D N -0.665 119.673 120.400 -0.103 0.000 2.317 788 D HA 0.025 4.665 4.640 -0.000 0.000 0.211 788 D C 0.204 176.186 176.300 -0.530 0.000 0.966 788 D CA 0.173 53.996 54.000 -0.294 0.000 0.876 788 D CB 0.086 40.767 40.800 -0.199 0.000 0.927 788 D HN 0.433 nan 8.370 nan 0.000 0.519 789 W N 0.566 121.686 121.300 -0.300 0.000 2.322 789 W HA 0.350 5.010 4.660 -0.000 0.000 0.307 789 W C -0.600 175.835 176.519 -0.140 0.000 1.220 789 W CA -0.632 56.622 57.345 -0.152 0.000 1.210 789 W CB 0.254 29.653 29.460 -0.101 0.000 1.223 789 W HN -0.132 nan 8.180 nan 0.000 0.511 790 Y N 2.879 123.395 120.300 0.360 0.000 2.334 790 Y HA 0.430 4.979 4.550 -0.000 0.000 0.336 790 Y C 0.360 176.454 175.900 0.323 0.000 0.960 790 Y CA -1.223 57.052 58.100 0.292 0.000 1.164 790 Y CB 0.559 39.103 38.460 0.140 0.000 1.155 790 Y HN 0.014 nan 8.280 nan 0.000 0.478 791 V N 3.567 123.761 119.914 0.468 0.000 3.003 791 V HA 0.310 4.430 4.120 -0.000 0.000 0.305 791 V C 0.202 176.452 176.094 0.260 0.000 1.078 791 V CA -0.947 61.564 62.300 0.352 0.000 1.083 791 V CB 1.283 33.287 31.823 0.301 0.000 1.039 791 V HN 0.705 nan 8.190 nan 0.000 0.481 792 R N 2.163 122.776 120.500 0.188 0.000 2.297 792 R HA 0.650 4.990 4.340 -0.000 0.000 0.308 792 R C -0.325 176.035 176.300 0.100 0.000 1.029 792 R CA -0.067 56.113 56.100 0.134 0.000 0.929 792 R CB 1.018 31.384 30.300 0.109 0.000 1.046 792 R HN 0.913 nan 8.270 nan 0.000 0.461 793 A N 3.365 126.237 122.820 0.087 0.000 2.312 793 A HA 0.559 4.879 4.320 -0.000 0.000 0.328 793 A C 1.158 178.768 177.584 0.043 0.000 1.158 793 A CA -0.124 51.949 52.037 0.060 0.000 0.821 793 A CB 1.130 20.169 19.000 0.066 0.000 1.170 793 A HN 1.054 nan 8.150 nan 0.000 0.490 794 A N 1.697 124.534 122.820 0.028 0.000 1.968 794 A HA -0.295 4.025 4.320 -0.000 0.000 0.227 794 A C 1.306 178.904 177.584 0.022 0.000 1.381 794 A CA 2.654 54.703 52.037 0.020 0.000 0.697 794 A CB -0.940 18.068 19.000 0.012 0.000 0.836 794 A HN 1.029 nan 8.150 nan 0.000 0.497 795 D N -1.336 119.079 120.400 0.024 0.000 2.400 795 D HA 0.326 4.965 4.640 -0.000 0.000 0.243 795 D C 1.028 177.342 176.300 0.024 0.000 1.184 795 D CA 0.621 54.634 54.000 0.022 0.000 0.853 795 D CB -1.297 39.516 40.800 0.021 0.000 0.944 795 D HN 1.062 nan 8.370 nan 0.000 0.501 796 G N 0.775 109.592 108.800 0.028 0.000 2.296 796 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.282 796 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.282 796 G C -0.056 174.860 174.900 0.028 0.000 1.014 796 G CA 0.814 45.931 45.100 0.029 0.000 0.812 796 G HN 0.762 nan 8.290 nan 0.000 0.508 797 Q N -1.761 118.060 119.800 0.035 0.000 2.394 797 Q HA 0.830 5.170 4.340 -0.000 0.000 0.273 797 Q C -0.093 175.940 176.000 0.055 0.000 1.089 797 Q CA -1.357 54.465 55.803 0.031 0.000 0.812 797 Q CB 1.300 30.052 28.738 0.024 0.000 1.353 797 Q HN 0.084 nan 8.270 nan 0.000 0.438 798 M N 1.639 121.265 119.600 0.043 0.000 2.240 798 M HA 0.398 4.878 4.480 -0.000 0.000 0.333 798 M C -1.129 175.263 176.300 0.153 0.000 1.110 798 M CA 0.013 55.368 55.300 0.093 0.000 1.173 798 M CB 1.549 34.142 32.600 -0.010 0.000 1.458 798 M HN 0.601 nan 8.290 nan 0.000 0.458 799 V N 4.457 124.528 119.914 0.261 0.000 2.567 799 V HA 0.446 4.566 4.120 -0.000 0.000 0.298 799 V C -2.353 173.906 176.094 0.275 0.000 1.047 799 V CA -1.455 60.991 62.300 0.243 0.000 0.880 799 V CB 1.614 33.575 31.823 0.231 0.000 1.009 799 V HN 0.728 nan 8.190 nan 0.000 0.429 800 P HA 0.245 nan 4.420 nan 0.000 0.272 800 P C 0.654 177.791 177.300 -0.272 0.000 1.240 800 P CA -0.145 62.929 63.100 -0.042 0.000 0.791 800 P CB 1.201 32.874 31.700 -0.044 0.000 0.978 801 F N 0.655 120.382 119.950 -0.372 0.000 2.234 801 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 801 F C 2.635 178.041 175.800 -0.657 0.000 1.087 801 F CA 1.999 59.683 58.000 -0.526 0.000 1.340 801 F CB -0.305 38.644 39.000 -0.084 0.000 1.031 801 F HN 0.293 nan 8.300 nan 0.000 0.500 802 S N -0.022 115.551 115.700 -0.212 0.000 2.469 802 S HA -0.162 4.308 4.470 -0.000 0.000 0.238 802 S C 2.133 176.586 174.600 -0.246 0.000 0.998 802 S CA 0.668 58.771 58.200 -0.162 0.000 0.957 802 S CB -0.736 62.427 63.200 -0.062 0.000 0.764 802 S HN 0.292 nan 8.310 nan 0.000 0.514 803 A N 1.900 124.478 122.820 -0.402 0.000 1.877 803 A HA 0.091 4.410 4.320 -0.000 0.000 0.216 803 A C 1.951 179.410 177.584 -0.209 0.000 1.186 803 A CA 1.549 53.416 52.037 -0.283 0.000 0.620 803 A CB -0.852 18.003 19.000 -0.242 0.000 0.822 803 A HN 0.845 nan 8.150 nan 0.000 0.443 804 F N -0.401 119.513 119.950 -0.061 0.000 2.653 804 F HA 0.274 4.801 4.527 -0.000 0.000 0.288 804 F C 1.331 177.087 175.800 -0.075 0.000 1.121 804 F CA 0.017 57.968 58.000 -0.082 0.000 1.384 804 F CB -0.684 38.237 39.000 -0.131 0.000 1.115 804 F HN 0.123 nan 8.300 nan 0.000 0.599 805 S N 0.851 116.575 115.700 0.041 0.000 2.634 805 S HA 0.494 4.964 4.470 -0.000 0.000 0.261 805 S C 0.038 174.650 174.600 0.019 0.000 1.271 805 S CA -0.014 58.248 58.200 0.103 0.000 0.985 805 S CB 1.390 64.686 63.200 0.158 0.000 0.968 805 S HN 0.426 nan 8.310 nan 0.000 0.568 806 S N 0.334 116.029 115.700 -0.009 0.000 2.649 806 S HA 0.466 4.935 4.470 -0.000 0.000 0.274 806 S C -0.768 173.753 174.600 -0.132 0.000 1.176 806 S CA -0.513 57.658 58.200 -0.048 0.000 0.988 806 S CB 1.130 64.305 63.200 -0.041 0.000 1.071 806 S HN 1.239 nan 8.310 nan 0.000 0.478 807 S N 4.457 120.086 115.700 -0.118 0.000 2.499 807 S HA 0.828 5.298 4.470 -0.000 0.000 0.279 807 S C -0.295 174.152 174.600 -0.255 0.000 1.219 807 S CA -0.556 57.490 58.200 -0.257 0.000 1.062 807 S CB 0.123 63.362 63.200 0.066 0.000 0.978 807 S HN 1.039 nan 8.310 nan 0.000 0.489 808 R N 2.466 122.644 120.500 -0.537 0.000 2.664 808 R HA 0.386 4.726 4.340 -0.000 0.000 0.260 808 R C -1.896 174.175 176.300 -0.382 0.000 1.062 808 R CA -1.020 54.929 56.100 -0.253 0.000 0.902 808 R CB 0.041 30.273 30.300 -0.113 0.000 1.258 808 R HN 0.550 nan 8.270 nan 0.000 0.465 809 W N 1.033 122.270 121.300 -0.106 0.000 2.253 809 W HA 0.570 5.230 4.660 -0.000 0.000 0.348 809 W C 0.195 176.648 176.519 -0.111 0.000 1.229 809 W CA 0.175 57.477 57.345 -0.073 0.000 1.335 809 W CB 1.013 30.460 29.460 -0.021 0.000 1.165 809 W HN 0.658 nan 8.180 nan 0.000 0.631 810 E N 0.388 120.665 120.200 0.128 0.000 2.400 810 E HA 0.153 4.503 4.350 -0.000 0.000 0.285 810 E C -2.075 174.538 176.600 0.021 0.000 1.005 810 E CA -0.799 55.631 56.400 0.050 0.000 0.816 810 E CB 1.093 30.800 29.700 0.012 0.000 1.220 810 E HN 0.340 nan 8.360 nan 0.000 0.426 811 Y N 1.177 121.547 120.300 0.116 0.000 2.350 811 Y HA 0.573 5.123 4.550 -0.000 0.000 0.340 811 Y C 0.762 176.720 175.900 0.097 0.000 1.006 811 Y CA 0.736 58.902 58.100 0.110 0.000 1.166 811 Y CB 1.807 40.321 38.460 0.090 0.000 1.168 811 Y HN 0.591 nan 8.280 nan 0.000 0.502 812 G N 0.686 109.647 108.800 0.267 0.000 3.176 812 G HA2 0.504 4.464 3.960 -0.000 0.000 0.272 812 G HA3 0.504 4.464 3.960 -0.000 0.000 0.272 812 G C -1.371 173.641 174.900 0.188 0.000 1.349 812 G CA -0.918 44.292 45.100 0.183 0.000 0.953 812 G HN 0.452 nan 8.290 nan 0.000 0.559 813 S N -0.024 115.731 115.700 0.092 0.000 2.561 813 S HA 0.604 5.074 4.470 -0.000 0.000 0.303 813 S C -1.997 172.623 174.600 0.034 0.000 1.110 813 S CA -1.391 56.863 58.200 0.090 0.000 1.034 813 S CB 2.404 65.649 63.200 0.075 0.000 1.010 813 S HN 0.312 nan 8.310 nan 0.000 0.482 814 P HA 0.139 nan 4.420 nan 0.000 0.245 814 P C -0.055 177.271 177.300 0.045 0.000 1.212 814 P CA 0.204 63.335 63.100 0.053 0.000 0.774 814 P CB -0.117 31.626 31.700 0.072 0.000 0.999 815 R N 0.609 121.135 120.500 0.043 0.000 2.985 815 R HA 0.328 4.668 4.340 -0.000 0.000 0.259 815 R C -1.123 175.198 176.300 0.036 0.000 1.815 815 R CA -0.361 55.766 56.100 0.046 0.000 1.278 815 R CB -0.233 30.109 30.300 0.070 0.000 1.403 815 R HN -0.095 nan 8.270 nan 0.000 0.534 816 L N 3.702 124.918 121.223 -0.012 0.000 2.315 816 L HA 0.376 4.715 4.340 -0.000 0.000 0.283 816 L C 0.024 176.914 176.870 0.034 0.000 1.089 816 L CA -0.213 54.609 54.840 -0.029 0.000 0.833 816 L CB 1.103 43.095 42.059 -0.111 0.000 1.170 816 L HN 0.517 nan 8.230 nan 0.000 0.442 817 E N 4.002 124.245 120.200 0.072 0.000 2.227 817 E HA 0.641 4.991 4.350 -0.000 0.000 0.268 817 E C -0.807 175.844 176.600 0.085 0.000 0.990 817 E CA -0.848 55.599 56.400 0.079 0.000 0.856 817 E CB 1.489 31.240 29.700 0.086 0.000 1.159 817 E HN 0.409 nan 8.360 nan 0.000 0.401 818 R N 1.628 122.182 120.500 0.089 0.000 2.651 818 R HA 0.398 4.738 4.340 -0.000 0.000 0.278 818 R C -1.551 174.829 176.300 0.134 0.000 1.010 818 R CA -0.931 55.226 56.100 0.095 0.000 0.896 818 R CB 1.429 31.765 30.300 0.060 0.000 1.211 818 R HN 0.575 nan 8.270 nan 0.000 0.456 819 Y N 1.931 122.229 120.300 -0.003 0.000 2.409 819 Y HA 0.215 4.765 4.550 -0.000 0.000 0.343 819 Y C -0.035 175.862 175.900 -0.006 0.000 0.973 819 Y CA -0.612 57.481 58.100 -0.011 0.000 1.064 819 Y CB 1.533 39.961 38.460 -0.053 0.000 1.207 819 Y HN 0.679 nan 8.280 nan 0.000 0.452 820 N N 4.291 122.736 118.700 -0.425 0.000 2.696 820 N HA -0.202 4.537 4.740 -0.000 0.000 0.271 820 N C 0.714 176.180 175.510 -0.073 0.000 0.997 820 N CA 1.631 54.538 53.050 -0.239 0.000 0.801 820 N CB -0.879 37.502 38.487 -0.176 0.000 0.913 820 N HN 1.233 nan 8.380 nan 0.000 0.557 821 G N -0.671 108.094 108.800 -0.058 0.000 2.283 821 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.280 821 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.280 821 G C -0.071 174.832 174.900 0.006 0.000 1.029 821 G CA 0.711 45.798 45.100 -0.021 0.000 0.840 821 G HN 0.524 nan 8.290 nan 0.000 0.505 822 L N -0.481 120.759 121.223 0.028 0.000 2.466 822 L HA 0.452 4.791 4.340 -0.000 0.000 0.258 822 L C -2.231 174.676 176.870 0.062 0.000 0.973 822 L CA -2.519 52.347 54.840 0.043 0.000 0.826 822 L CB 2.871 44.958 42.059 0.046 0.000 1.372 822 L HN -0.150 nan 8.230 nan 0.000 0.409 823 P HA 0.093 nan 4.420 nan 0.000 0.266 823 P C -0.726 176.621 177.300 0.078 0.000 1.195 823 P CA 0.215 63.361 63.100 0.078 0.000 0.768 823 P CB 1.474 33.225 31.700 0.086 0.000 0.838 824 S N 1.338 117.091 115.700 0.088 0.000 2.595 824 S HA 0.677 5.146 4.470 -0.000 0.000 0.270 824 S C -1.586 173.053 174.600 0.064 0.000 1.145 824 S CA -0.671 57.564 58.200 0.059 0.000 0.825 824 S CB 0.693 63.931 63.200 0.064 0.000 1.107 824 S HN 0.341 nan 8.310 nan 0.000 0.461 825 M N 2.322 121.937 119.600 0.024 0.000 2.267 825 M HA 0.390 4.870 4.480 -0.000 0.000 0.289 825 M C -0.759 175.540 176.300 -0.002 0.000 1.043 825 M CA -0.517 54.803 55.300 0.033 0.000 0.928 825 M CB 2.080 34.703 32.600 0.039 0.000 1.613 825 M HN 0.719 nan 8.290 nan 0.000 0.450 826 E N 3.678 123.883 120.200 0.008 0.000 2.373 826 E HA 0.408 4.758 4.350 -0.000 0.000 0.267 826 E C -1.357 175.253 176.600 0.018 0.000 1.032 826 E CA -0.132 56.262 56.400 -0.010 0.000 0.889 826 E CB 0.928 30.631 29.700 0.004 0.000 0.984 826 E HN 0.568 nan 8.360 nan 0.000 0.425 827 I N 5.720 126.313 120.570 0.038 0.000 2.447 827 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 827 I C -0.659 175.483 176.117 0.041 0.000 1.023 827 I CA -0.745 60.602 61.300 0.079 0.000 1.083 827 I CB 1.341 39.463 38.000 0.203 0.000 1.245 827 I HN 0.514 nan 8.210 nan 0.000 0.434 828 L N 6.168 127.357 121.223 -0.056 0.000 2.335 828 L HA 0.508 4.847 4.340 -0.000 0.000 0.268 828 L C 0.536 177.208 176.870 -0.331 0.000 1.037 828 L CA -0.194 54.534 54.840 -0.186 0.000 0.895 828 L CB 1.303 43.276 42.059 -0.142 0.000 1.266 828 L HN 0.702 nan 8.230 nan 0.000 0.439 829 G N 2.261 110.614 108.800 -0.745 0.000 2.705 829 G HA2 0.680 4.639 3.960 -0.000 0.000 0.299 829 G HA3 0.680 4.639 3.960 -0.000 0.000 0.299 829 G C -1.119 173.121 174.900 -1.099 0.000 1.315 829 G CA -0.280 44.293 45.100 -0.877 0.000 1.045 829 G HN 0.480 nan 8.290 nan 0.000 0.517 830 Q N -1.127 118.366 119.800 -0.511 0.000 2.295 830 Q HA 0.531 4.871 4.340 -0.000 0.000 0.268 830 Q C -0.259 175.796 176.000 0.092 0.000 1.010 830 Q CA -0.795 54.887 55.803 -0.202 0.000 0.856 830 Q CB 2.527 31.176 28.738 -0.149 0.000 1.349 830 Q HN 0.898 nan 8.270 nan 0.000 0.412 831 A N 1.480 124.410 122.820 0.184 0.000 2.492 831 A HA 0.527 4.847 4.320 -0.000 0.000 0.236 831 A C 0.262 177.887 177.584 0.068 0.000 1.078 831 A CA 0.556 52.683 52.037 0.150 0.000 0.773 831 A CB 0.042 19.108 19.000 0.109 0.000 1.023 831 A HN 0.794 nan 8.150 nan 0.000 0.504 832 A N 1.667 124.516 122.820 0.048 0.000 2.409 832 A HA 0.467 4.786 4.320 -0.000 0.000 0.246 832 A C -1.149 176.444 177.584 0.015 0.000 1.099 832 A CA -0.351 51.701 52.037 0.024 0.000 0.789 832 A CB -0.633 18.376 19.000 0.016 0.000 1.053 832 A HN 0.621 nan 8.150 nan 0.000 0.503 833 P HA 0.005 nan 4.420 nan 0.000 0.223 833 P C 1.308 178.609 177.300 0.002 0.000 1.151 833 P CA 1.590 64.692 63.100 0.003 0.000 0.787 833 P CB 0.126 31.826 31.700 0.000 0.000 0.788 834 G N -0.376 108.426 108.800 0.004 0.000 2.564 834 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.212 834 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.212 834 G C 0.717 175.619 174.900 0.004 0.000 1.199 834 G CA 0.048 45.150 45.100 0.003 0.000 0.832 834 G HN 0.146 nan 8.290 nan 0.000 0.565 835 K N 0.237 120.641 120.400 0.007 0.000 2.188 835 K HA 0.337 4.657 4.320 -0.000 0.000 0.246 835 K C -0.317 176.290 176.600 0.011 0.000 1.026 835 K CA 0.655 56.946 56.287 0.007 0.000 0.871 835 K CB 0.730 33.233 32.500 0.005 0.000 1.042 835 K HN 0.293 nan 8.250 nan 0.000 0.509 836 S N 0.137 115.842 115.700 0.008 0.000 2.387 836 S HA 0.181 4.651 4.470 -0.000 0.000 0.211 836 S C -0.013 174.588 174.600 0.003 0.000 1.055 836 S CA 0.071 58.279 58.200 0.013 0.000 1.133 836 S CB 0.437 63.645 63.200 0.012 0.000 1.235 836 S HN 0.775 nan 8.310 nan 0.000 0.425 837 T N 3.417 117.972 114.554 0.002 0.000 13.563 837 T HA -0.271 4.079 4.350 -0.000 0.000 0.419 837 T C 1.713 176.346 174.700 -0.113 0.000 1.442 837 T CA 2.200 64.277 62.100 -0.038 0.000 2.352 837 T CB -1.884 66.967 68.868 -0.028 0.000 2.791 837 T HN 1.420 nan 8.240 nan 0.000 0.525 838 G N 1.192 109.943 108.800 -0.082 0.000 2.469 838 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 838 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 838 G C 1.195 176.043 174.900 -0.087 0.000 1.136 838 G CA 1.756 46.803 45.100 -0.088 0.000 0.759 838 G HN 0.783 nan 8.290 nan 0.000 0.562 839 E N 0.280 120.442 120.200 -0.062 0.000 2.122 839 E HA 0.174 4.524 4.350 -0.000 0.000 0.190 839 E C 2.929 179.481 176.600 -0.081 0.000 0.977 839 E CA 0.462 56.830 56.400 -0.054 0.000 0.820 839 E CB -0.094 29.590 29.700 -0.027 0.000 0.770 839 E HN 0.388 nan 8.360 nan 0.000 0.462 840 A N 1.431 124.195 122.820 -0.094 0.000 1.898 840 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 840 A C 2.198 179.621 177.584 -0.268 0.000 1.181 840 A CA 1.294 53.252 52.037 -0.132 0.000 0.620 840 A CB -0.466 18.505 19.000 -0.048 0.000 0.819 840 A HN 0.104 nan 8.150 nan 0.000 0.442 841 M N -0.413 119.004 119.600 -0.306 0.000 2.117 841 M HA -0.195 4.285 4.480 -0.000 0.000 0.262 841 M C 2.070 178.314 176.300 -0.093 0.000 1.065 841 M CA 2.069 57.191 55.300 -0.297 0.000 1.114 841 M CB -0.420 31.820 32.600 -0.600 0.000 1.361 841 M HN 0.716 nan 8.290 nan 0.000 0.408 842 E N 0.281 120.416 120.200 -0.108 0.000 2.358 842 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 842 E C 1.334 177.898 176.600 -0.060 0.000 1.010 842 E CA 0.903 57.276 56.400 -0.045 0.000 0.856 842 E CB -0.201 29.477 29.700 -0.037 0.000 0.795 842 E HN 0.412 nan 8.360 nan 0.000 0.504 843 L N 0.177 121.344 121.223 -0.094 0.000 2.653 843 L HA 0.295 4.635 4.340 -0.000 0.000 0.231 843 L C 1.517 178.295 176.870 -0.154 0.000 1.153 843 L CA 0.187 54.976 54.840 -0.086 0.000 0.933 843 L CB 0.236 42.263 42.059 -0.053 0.000 1.175 843 L HN 0.263 nan 8.230 nan 0.000 0.473 844 M N -1.953 117.503 119.600 -0.240 0.000 2.421 844 M HA 0.091 4.571 4.480 -0.000 0.000 0.258 844 M C 1.487 177.512 176.300 -0.459 0.000 1.122 844 M CA 0.478 55.530 55.300 -0.413 0.000 1.078 844 M CB 0.398 32.618 32.600 -0.633 0.000 1.380 844 M HN 0.223 nan 8.290 nan 0.000 0.499 845 E N 1.022 121.055 120.200 -0.279 0.000 2.072 845 E HA -0.207 4.142 4.350 -0.000 0.000 0.190 845 E C 1.708 178.187 176.600 -0.201 0.000 0.982 845 E CA 1.245 57.457 56.400 -0.313 0.000 0.803 845 E CB 0.017 29.689 29.700 -0.046 0.000 0.755 845 E HN 0.542 nan 8.360 nan 0.000 0.453 846 Q N 0.578 120.316 119.800 -0.104 0.000 2.436 846 Q HA -0.037 4.303 4.340 -0.000 0.000 0.209 846 Q C 1.825 177.789 176.000 -0.060 0.000 0.965 846 Q CA 0.868 56.643 55.803 -0.046 0.000 0.910 846 Q CB -0.431 28.295 28.738 -0.019 0.000 0.980 846 Q HN 0.280 nan 8.270 nan 0.000 0.491 847 L N -0.361 120.789 121.223 -0.121 0.000 2.209 847 L HA 0.187 4.526 4.340 -0.000 0.000 0.207 847 L C 2.245 179.040 176.870 -0.125 0.000 1.094 847 L CA 0.806 55.579 54.840 -0.112 0.000 0.790 847 L CB -0.601 41.359 42.059 -0.166 0.000 0.932 847 L HN 0.356 nan 8.230 nan 0.000 0.447 848 A N 0.494 123.199 122.820 -0.192 0.000 1.968 848 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 848 A C 2.457 180.072 177.584 0.051 0.000 1.169 848 A CA 1.569 53.549 52.037 -0.094 0.000 0.638 848 A CB -0.436 18.452 19.000 -0.186 0.000 0.812 848 A HN 0.473 nan 8.150 nan 0.000 0.446 849 S N -0.630 115.107 115.700 0.061 0.000 2.522 849 S HA 0.030 4.500 4.470 -0.000 0.000 0.227 849 S C 1.320 175.950 174.600 0.050 0.000 0.986 849 S CA 0.924 59.187 58.200 0.105 0.000 0.929 849 S CB -0.202 63.071 63.200 0.122 0.000 0.769 849 S HN 0.523 nan 8.310 nan 0.000 0.529 850 K N 0.592 121.005 120.400 0.020 0.000 2.437 850 K HA 0.364 4.684 4.320 -0.000 0.000 0.198 850 K C -0.179 176.426 176.600 0.009 0.000 1.024 850 K CA -0.115 56.178 56.287 0.010 0.000 1.148 850 K CB -0.027 32.472 32.500 -0.001 0.000 0.860 850 K HN 0.416 nan 8.250 nan 0.000 0.515 851 L N 0.664 121.897 121.223 0.018 0.000 2.376 851 L HA 0.373 4.713 4.340 -0.000 0.000 0.267 851 L C -1.930 174.951 176.870 0.018 0.000 1.035 851 L CA -2.349 52.499 54.840 0.014 0.000 0.800 851 L CB 0.325 42.395 42.059 0.019 0.000 1.290 851 L HN -0.086 nan 8.230 nan 0.000 0.462 852 P HA 0.057 nan 4.420 nan 0.000 0.272 852 P C -0.755 176.554 177.300 0.015 0.000 1.248 852 P CA -0.296 62.810 63.100 0.010 0.000 0.799 852 P CB 0.182 31.884 31.700 0.005 0.000 0.997 853 T N 0.072 114.633 114.554 0.012 0.000 2.918 853 T HA 0.395 4.745 4.350 -0.000 0.000 0.302 853 T C 1.065 175.771 174.700 0.011 0.000 1.045 853 T CA 0.886 62.993 62.100 0.012 0.000 1.114 853 T CB 0.007 68.881 68.868 0.009 0.000 0.965 853 T HN 0.835 nan 8.240 nan 0.000 0.540 854 G N 1.048 109.855 108.800 0.011 0.000 2.182 854 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.248 854 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.248 854 G C -0.074 174.833 174.900 0.012 0.000 1.042 854 G CA -0.137 44.968 45.100 0.009 0.000 0.775 854 G HN 0.813 nan 8.290 nan 0.000 0.501 855 V N 0.185 120.111 119.914 0.019 0.000 2.501 855 V HA 0.708 4.828 4.120 -0.000 0.000 0.277 855 V C 0.892 177.018 176.094 0.052 0.000 1.004 855 V CA -0.009 62.308 62.300 0.030 0.000 0.862 855 V CB 0.986 32.829 31.823 0.033 0.000 1.035 855 V HN 0.760 nan 8.190 nan 0.000 0.448 856 G N 3.271 112.087 108.800 0.027 0.000 2.782 856 G HA2 0.784 4.743 3.960 -0.000 0.000 0.201 856 G HA3 0.784 4.743 3.960 -0.000 0.000 0.201 856 G C -0.922 174.023 174.900 0.074 0.000 1.374 856 G CA -0.344 44.764 45.100 0.013 0.000 1.039 856 G HN 0.832 nan 8.290 nan 0.000 0.576 857 Y N -2.863 117.346 120.300 -0.152 0.000 2.713 857 Y HA 0.735 5.285 4.550 -0.000 0.000 0.335 857 Y C -1.705 173.939 175.900 -0.425 0.000 1.222 857 Y CA -1.433 56.441 58.100 -0.376 0.000 1.061 857 Y CB 1.786 39.999 38.460 -0.412 0.000 1.314 857 Y HN 0.562 nan 8.280 nan 0.000 0.453 858 D N 0.455 120.535 120.400 -0.533 0.000 2.769 858 D HA 0.141 4.781 4.640 -0.000 0.000 0.219 858 D C -2.269 173.622 176.300 -0.682 0.000 1.245 858 D CA -0.367 53.353 54.000 -0.467 0.000 0.801 858 D CB 1.536 42.140 40.800 -0.326 0.000 1.598 858 D HN 0.717 nan 8.370 nan 0.000 0.485 859 W N 2.741 123.861 121.300 -0.299 0.000 2.422 859 W HA 0.255 4.915 4.660 -0.000 0.000 0.349 859 W C 0.583 176.902 176.519 -0.334 0.000 1.062 859 W CA -0.337 56.840 57.345 -0.280 0.000 1.497 859 W CB 0.702 30.091 29.460 -0.118 0.000 1.407 859 W HN 0.019 nan 8.180 nan 0.000 0.393 860 T N 2.780 117.130 114.554 -0.341 0.000 2.916 860 T HA 0.559 4.909 4.350 -0.000 0.000 0.303 860 T C 0.618 175.275 174.700 -0.071 0.000 1.025 860 T CA 0.164 62.079 62.100 -0.309 0.000 1.142 860 T CB 0.926 69.607 68.868 -0.313 0.000 0.947 860 T HN 0.652 nan 8.240 nan 0.000 0.544 864 Y N -0.667 119.594 120.300 -0.065 0.000 2.073 864 Y HA 0.736 5.286 4.550 -0.000 0.000 0.086 864 Y C 0.745 176.638 175.900 -0.011 0.000 1.524 864 Y CA -0.759 57.310 58.100 -0.051 0.000 1.645 864 Y CB -0.116 38.284 38.460 -0.099 0.000 1.250 864 Y HN 0.276 nan 8.280 nan 0.000 0.205 865 Q N -0.240 119.608 119.800 0.079 0.000 2.378 865 Q HA 0.208 4.548 4.340 -0.000 0.000 0.184 865 Q C -1.645 174.021 176.000 -0.556 0.000 0.715 865 Q CA 0.712 56.480 55.803 -0.058 0.000 0.903 865 Q CB 1.207 29.954 28.738 0.016 0.000 1.266 865 Q HN 0.692 nan 8.270 nan 0.000 0.415 866 E N 0.044 119.840 120.200 -0.673 0.000 2.397 866 E HA 0.431 4.781 4.350 -0.000 0.000 0.293 866 E C -0.744 175.550 176.600 -0.510 0.000 0.930 866 E CA -0.571 55.348 56.400 -0.802 0.000 0.793 866 E CB 1.993 31.454 29.700 -0.397 0.000 1.259 866 E HN -0.025 nan 8.360 nan 0.000 0.406 867 R N 1.055 121.274 120.500 -0.468 0.000 2.515 867 R HA 0.525 4.865 4.340 -0.000 0.000 0.209 867 R C 1.279 177.530 176.300 -0.082 0.000 1.255 867 R CA -0.340 55.639 56.100 -0.200 0.000 1.006 867 R CB 0.200 30.467 30.300 -0.055 0.000 1.839 867 R HN 0.547 nan 8.270 nan 0.000 0.514 868 L N -1.781 119.441 121.223 -0.002 0.000 2.663 868 L HA 0.239 4.579 4.340 -0.000 0.000 0.218 868 L C 2.124 179.088 176.870 0.157 0.000 1.043 868 L CA 0.064 54.974 54.840 0.118 0.000 0.876 868 L CB -0.457 41.676 42.059 0.124 0.000 1.263 868 L HN 0.356 nan 8.230 nan 0.000 0.486 869 S N 0.563 116.338 115.700 0.126 0.000 2.474 869 S HA 0.032 4.502 4.470 -0.000 0.000 0.235 869 S C 1.393 176.048 174.600 0.093 0.000 0.997 869 S CA 0.993 59.262 58.200 0.115 0.000 0.949 869 S CB -0.310 62.957 63.200 0.111 0.000 0.766 869 S HN 0.503 nan 8.310 nan 0.000 0.517 870 G N 2.372 111.208 108.800 0.061 0.000 3.048 870 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.151 870 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.151 870 G C 0.856 175.772 174.900 0.027 0.000 1.803 870 G CA 0.378 45.504 45.100 0.043 0.000 1.047 870 G HN 0.549 nan 8.290 nan 0.000 0.513 871 N N 0.051 118.745 118.700 -0.009 0.000 2.520 871 N HA -0.085 4.655 4.740 -0.000 0.000 0.185 871 N C 1.771 177.271 175.510 -0.017 0.000 1.068 871 N CA 1.545 54.587 53.050 -0.014 0.000 0.911 871 N CB -0.232 38.233 38.487 -0.037 0.000 0.961 871 N HN 0.619 nan 8.380 nan 0.000 0.446 872 Q N 0.580 120.370 119.800 -0.016 0.000 1.896 872 Q HA 0.139 4.478 4.340 -0.000 0.000 0.205 872 Q C 2.133 178.107 176.000 -0.043 0.000 0.978 872 Q CA 1.755 57.551 55.803 -0.012 0.000 0.850 872 Q CB -0.537 28.222 28.738 0.035 0.000 0.908 872 Q HN 0.288 nan 8.270 nan 0.000 0.431 873 A N 1.197 123.994 122.820 -0.039 0.000 1.894 873 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 873 A C -0.633 176.891 177.584 -0.099 0.000 1.237 873 A CA 2.052 53.999 52.037 -0.151 0.000 0.660 873 A CB -2.185 16.836 19.000 0.034 0.000 0.835 873 A HN 0.452 nan 8.150 nan 0.000 0.461 874 P HA -0.245 nan 4.420 nan 0.000 0.217 874 P C 1.698 179.024 177.300 0.042 0.000 0.848 874 P CA 1.997 65.164 63.100 0.111 0.000 1.049 874 P CB -0.518 31.227 31.700 0.075 0.000 0.690 875 S N -1.313 114.394 115.700 0.012 0.000 2.575 875 S HA -0.284 4.186 4.470 -0.000 0.000 0.304 875 S C 1.734 176.317 174.600 -0.027 0.000 1.237 875 S CA 1.879 60.076 58.200 -0.006 0.000 1.122 875 S CB -1.342 61.849 63.200 -0.015 0.000 1.073 875 S HN 0.054 nan 8.310 nan 0.000 0.450 876 L N -1.084 120.076 121.223 -0.105 0.000 1.961 876 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 876 L C 2.201 178.985 176.870 -0.144 0.000 1.075 876 L CA 1.964 56.693 54.840 -0.185 0.000 0.749 876 L CB -1.001 40.822 42.059 -0.394 0.000 0.890 876 L HN 0.377 nan 8.230 nan 0.000 0.433 877 Y N 0.291 120.563 120.300 -0.047 0.000 2.114 877 Y HA -0.334 4.215 4.550 -0.000 0.000 0.282 877 Y C 2.774 178.653 175.900 -0.035 0.000 1.165 877 Y CA 0.857 58.929 58.100 -0.046 0.000 1.148 877 Y CB -0.682 37.746 38.460 -0.053 0.000 0.972 877 Y HN 0.222 nan 8.280 nan 0.000 0.504 878 A N 0.567 123.465 122.820 0.130 0.000 1.896 878 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 878 A C 2.044 179.652 177.584 0.040 0.000 1.206 878 A CA 2.465 54.538 52.037 0.060 0.000 0.647 878 A CB -0.950 18.072 19.000 0.037 0.000 0.828 878 A HN 0.386 nan 8.150 nan 0.000 0.455 879 I N -0.113 120.478 120.570 0.035 0.000 2.202 879 I HA -0.119 4.051 4.170 -0.000 0.000 0.242 879 I C 2.565 178.702 176.117 0.034 0.000 1.091 879 I CA 1.502 62.823 61.300 0.035 0.000 1.368 879 I CB -1.387 36.639 38.000 0.043 0.000 1.058 879 I HN 0.212 nan 8.210 nan 0.000 0.410 880 S N 0.372 116.090 115.700 0.030 0.000 2.461 880 S HA -0.129 4.341 4.470 -0.000 0.000 0.246 880 S C 1.942 176.567 174.600 0.042 0.000 1.007 880 S CA 0.976 59.196 58.200 0.032 0.000 0.976 880 S CB -0.263 62.970 63.200 0.055 0.000 0.763 880 S HN 0.356 nan 8.310 nan 0.000 0.508 881 L N 0.262 121.513 121.223 0.047 0.000 2.189 881 L HA 0.120 4.460 4.340 -0.000 0.000 0.199 881 L C 1.990 178.896 176.870 0.060 0.000 1.074 881 L CA 0.739 55.603 54.840 0.040 0.000 0.783 881 L CB -0.605 41.463 42.059 0.014 0.000 0.955 881 L HN 0.298 nan 8.230 nan 0.000 0.460 882 I N -0.644 119.952 120.570 0.044 0.000 2.399 882 I HA -0.262 3.907 4.170 -0.000 0.000 0.254 882 I C 2.173 178.358 176.117 0.114 0.000 1.146 882 I CA 0.784 62.124 61.300 0.067 0.000 1.412 882 I CB -0.681 37.344 38.000 0.042 0.000 1.076 882 I HN 0.094 nan 8.210 nan 0.000 0.432 883 V N 0.169 120.131 119.914 0.080 0.000 4.510 883 V HA -0.093 4.027 4.120 -0.000 0.000 0.153 883 V C 2.094 178.233 176.094 0.075 0.000 1.194 883 V CA 1.248 63.587 62.300 0.065 0.000 1.217 883 V CB 0.688 32.529 31.823 0.030 0.000 1.157 883 V HN 0.148 nan 8.190 nan 0.000 0.363 884 V N -0.571 119.359 119.914 0.027 0.000 0.638 884 V HA -0.456 3.664 4.120 -0.000 0.000 0.093 884 V C 1.851 177.959 176.094 0.023 0.000 1.711 884 V CA 3.351 65.657 62.300 0.010 0.000 3.334 884 V CB -1.664 30.166 31.823 0.011 0.000 0.656 884 V HN 0.894 nan 8.190 nan 0.000 0.655 885 F N 0.715 120.623 119.950 -0.070 0.000 2.192 885 F HA -0.075 4.452 4.527 -0.000 0.000 0.301 885 F C 1.133 176.890 175.800 -0.072 0.000 1.079 885 F CA 1.640 59.583 58.000 -0.094 0.000 1.303 885 F CB -0.008 38.943 39.000 -0.082 0.000 1.024 885 F HN 0.171 nan 8.300 nan 0.000 0.494 886 L N -0.167 121.002 121.223 -0.090 0.000 2.456 886 L HA 0.123 4.463 4.340 -0.000 0.000 0.257 886 L C 1.448 178.263 176.870 -0.092 0.000 1.162 886 L CA -0.254 54.512 54.840 -0.124 0.000 0.808 886 L CB 0.473 42.533 42.059 0.002 0.000 1.136 886 L HN 0.344 nan 8.230 nan 0.000 0.466 887 C N 0.185 119.451 119.300 -0.057 0.000 4.378 887 C HA -0.186 4.273 4.460 -0.000 0.000 0.279 887 C C 0.839 175.825 174.990 -0.007 0.000 1.481 887 C CA -0.069 58.942 59.018 -0.011 0.000 1.849 887 C CB -2.883 24.854 27.740 -0.006 0.000 1.542 887 C HN 0.670 nan 8.230 nan 0.000 0.743 888 L N -0.754 120.388 121.223 -0.135 0.000 2.839 888 L HA 0.579 4.919 4.340 -0.000 0.000 0.259 888 L C 0.816 177.526 176.870 -0.267 0.000 1.369 888 L CA 0.801 55.445 54.840 -0.326 0.000 0.845 888 L CB 0.335 42.127 42.059 -0.445 0.000 1.181 888 L HN 0.478 nan 8.230 nan 0.000 0.529 889 A N -0.278 122.542 122.820 0.000 0.000 3.421 889 A HA 0.098 4.418 4.320 -0.000 0.000 0.192 889 A C 1.477 179.068 177.584 0.012 0.000 1.395 889 A CA 0.576 52.593 52.037 -0.032 0.000 1.256 889 A CB -0.750 18.166 19.000 -0.140 0.000 0.943 889 A HN 0.264 nan 8.150 nan 0.000 0.399 890 A N -0.609 122.223 122.820 0.020 0.000 2.168 890 A HA 0.428 4.748 4.320 -0.000 0.000 0.215 890 A C 1.202 178.796 177.584 0.018 0.000 1.152 890 A CA 1.684 53.730 52.037 0.016 0.000 0.716 890 A CB -0.233 18.774 19.000 0.013 0.000 0.794 890 A HN 0.639 nan 8.150 nan 0.000 0.465 891 L N -2.773 118.496 121.223 0.075 0.000 3.298 891 L HA 0.325 4.665 4.340 -0.000 0.000 0.296 891 L C 0.428 177.112 176.870 -0.309 0.000 1.237 891 L CA 0.616 55.405 54.840 -0.085 0.000 1.038 891 L CB -0.990 41.005 42.059 -0.108 0.000 1.423 891 L HN 0.486 nan 8.230 nan 0.000 0.605 892 Y N 0.560 120.806 120.300 -0.091 0.000 2.965 892 Y HA 0.098 4.648 4.550 -0.000 0.000 0.242 892 Y C 0.402 176.228 175.900 -0.124 0.000 1.078 892 Y CA -0.477 57.563 58.100 -0.099 0.000 1.288 892 Y CB 0.351 38.746 38.460 -0.108 0.000 1.459 892 Y HN 0.239 nan 8.280 nan 0.000 0.438 893 E N 1.577 121.780 120.200 0.004 0.000 6.936 893 E HA -0.063 4.286 4.350 -0.000 0.000 0.409 893 E C -0.430 176.071 176.600 -0.166 0.000 0.654 893 E CA 0.684 56.996 56.400 -0.145 0.000 0.939 893 E CB -1.094 28.506 29.700 -0.166 0.000 0.900 893 E HN 0.398 nan 8.360 nan 0.000 0.312 894 S N 2.307 117.830 115.700 -0.295 0.000 2.872 894 S HA 0.511 4.980 4.470 -0.000 0.000 0.289 894 S C -1.386 173.074 174.600 -0.232 0.000 1.245 894 S CA -0.644 57.426 58.200 -0.218 0.000 1.270 894 S CB 0.480 63.643 63.200 -0.060 0.000 1.344 894 S HN 0.861 nan 8.310 nan 0.000 0.438 895 W N 1.490 122.755 121.300 -0.058 0.000 0.969 895 W HA 0.455 5.114 4.660 -0.000 0.000 0.317 895 W C 0.555 177.077 176.519 0.006 0.000 0.875 895 W CA -0.088 57.230 57.345 -0.045 0.000 1.411 895 W CB 1.106 30.664 29.460 0.164 0.000 1.457 895 W HN 1.002 nan 8.180 nan 0.000 0.491 896 S N -2.434 113.322 115.700 0.094 0.000 3.352 896 S HA 0.010 4.480 4.470 -0.000 0.000 0.242 896 S C 1.115 175.714 174.600 -0.002 0.000 1.075 896 S CA 0.015 58.293 58.200 0.131 0.000 1.026 896 S CB 0.164 63.428 63.200 0.107 0.000 1.009 896 S HN 0.094 nan 8.310 nan 0.000 0.429 897 I N 3.539 124.069 120.570 -0.067 0.000 2.113 897 I HA -0.132 4.038 4.170 -0.000 0.000 0.242 897 I C -0.994 174.995 176.117 -0.214 0.000 1.057 897 I CA 2.112 63.333 61.300 -0.131 0.000 1.314 897 I CB -0.893 37.014 38.000 -0.155 0.000 1.022 897 I HN 0.340 nan 8.210 nan 0.000 0.408 898 P HA -0.094 nan 4.420 nan 0.000 0.218 898 P C 1.610 178.875 177.300 -0.058 0.000 1.152 898 P CA 1.418 64.363 63.100 -0.258 0.000 0.826 898 P CB -0.148 31.348 31.700 -0.340 0.000 0.790 899 F N -0.211 119.799 119.950 0.099 0.000 2.408 899 F HA -0.118 4.409 4.527 -0.000 0.000 0.300 899 F C 2.162 177.964 175.800 0.003 0.000 1.090 899 F CA 0.422 58.449 58.000 0.044 0.000 1.427 899 F CB -0.699 38.322 39.000 0.036 0.000 1.070 899 F HN -0.078 nan 8.300 nan 0.000 0.549 900 S N 0.174 115.948 115.700 0.124 0.000 2.345 900 S HA -0.122 4.347 4.470 -0.000 0.000 0.219 900 S C 2.167 176.777 174.600 0.017 0.000 1.031 900 S CA 1.016 59.249 58.200 0.055 0.000 0.984 900 S CB -0.596 62.617 63.200 0.021 0.000 0.874 900 S HN 0.150 nan 8.310 nan 0.000 0.451 901 V N 1.846 121.746 119.914 -0.023 0.000 2.594 901 V HA -0.003 4.117 4.120 -0.000 0.000 0.253 901 V C 1.939 178.037 176.094 0.005 0.000 1.069 901 V CA 1.181 63.457 62.300 -0.041 0.000 1.082 901 V CB -0.453 31.309 31.823 -0.102 0.000 0.680 901 V HN 0.461 nan 8.190 nan 0.000 0.469 902 M N 0.189 119.825 119.600 0.060 0.000 2.568 902 M HA 0.197 4.677 4.480 -0.000 0.000 0.226 902 M C 0.646 176.994 176.300 0.080 0.000 1.148 902 M CA 0.973 56.323 55.300 0.084 0.000 1.007 902 M CB -0.187 32.511 32.600 0.163 0.000 1.651 902 M HN 0.410 nan 8.290 nan 0.000 0.488 903 L N -3.347 117.923 121.223 0.079 0.000 3.429 903 L HA 0.258 4.597 4.340 -0.000 0.000 0.311 903 L C 1.030 177.988 176.870 0.147 0.000 1.274 903 L CA -0.358 54.562 54.840 0.134 0.000 1.037 903 L CB -0.575 41.561 42.059 0.127 0.000 1.433 903 L HN -0.212 nan 8.230 nan 0.000 0.614 904 V N -1.729 118.225 119.914 0.066 0.000 2.951 904 V HA -0.071 4.048 4.120 -0.000 0.000 0.255 904 V C 2.522 178.630 176.094 0.022 0.000 1.088 904 V CA 1.030 63.356 62.300 0.043 0.000 1.109 904 V CB -0.294 31.524 31.823 -0.008 0.000 0.724 904 V HN 0.369 nan 8.190 nan 0.000 0.471 905 V N 0.316 120.237 119.914 0.010 0.000 2.236 905 V HA -0.244 3.876 4.120 -0.000 0.000 0.255 905 V C 0.312 176.387 176.094 -0.032 0.000 1.068 905 V CA 2.692 64.978 62.300 -0.023 0.000 1.044 905 V CB -2.661 29.140 31.823 -0.037 0.000 0.653 905 V HN 0.543 nan 8.190 nan 0.000 0.448 906 P HA 0.083 nan 4.420 nan 0.000 0.231 906 P C 1.746 179.026 177.300 -0.034 0.000 1.168 906 P CA 0.426 63.491 63.100 -0.057 0.000 0.779 906 P CB -0.029 31.607 31.700 -0.107 0.000 0.844 907 L N 0.282 121.512 121.223 0.012 0.000 1.956 907 L HA -0.137 4.203 4.340 -0.000 0.000 0.216 907 L C 2.650 179.531 176.870 0.018 0.000 1.073 907 L CA 2.663 57.521 54.840 0.030 0.000 0.762 907 L CB -1.916 40.180 42.059 0.061 0.000 0.889 907 L HN 0.033 nan 8.230 nan 0.000 0.433 908 G N -1.791 107.015 108.800 0.010 0.000 2.422 908 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 908 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 908 G C 1.659 176.577 174.900 0.029 0.000 1.140 908 G CA 0.791 45.898 45.100 0.012 0.000 0.775 908 G HN 0.249 nan 8.290 nan 0.000 0.545 909 V N 0.910 120.833 119.914 0.014 0.000 2.332 909 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 909 V C 2.624 178.766 176.094 0.081 0.000 1.055 909 V CA 1.794 64.114 62.300 0.033 0.000 1.038 909 V CB -0.363 31.445 31.823 -0.027 0.000 0.651 909 V HN 0.408 nan 8.190 nan 0.000 0.450 910 I N 0.891 121.489 120.570 0.047 0.000 2.208 910 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 910 I C 2.266 178.431 176.117 0.080 0.000 1.097 910 I CA 2.030 63.365 61.300 0.058 0.000 1.363 910 I CB -0.726 37.283 38.000 0.014 0.000 1.051 910 I HN 0.251 nan 8.210 nan 0.000 0.413 911 G N -0.501 108.339 108.800 0.068 0.000 2.403 911 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 911 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 911 G C 1.737 176.699 174.900 0.103 0.000 1.154 911 G CA 0.587 45.725 45.100 0.063 0.000 0.784 911 G HN 0.578 nan 8.290 nan 0.000 0.538 912 A N 0.339 123.259 122.820 0.166 0.000 1.933 912 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 912 A C 2.336 180.124 177.584 0.340 0.000 1.175 912 A CA 1.168 53.382 52.037 0.296 0.000 0.628 912 A CB -0.303 18.923 19.000 0.376 0.000 0.814 912 A HN 0.345 nan 8.150 nan 0.000 0.444 913 L N -1.475 119.948 121.223 0.333 0.000 1.925 913 L HA -0.096 4.244 4.340 -0.000 0.000 0.214 913 L C 2.229 179.147 176.870 0.080 0.000 1.091 913 L CA 1.291 56.286 54.840 0.260 0.000 0.768 913 L CB -0.818 41.406 42.059 0.275 0.000 0.887 913 L HN 0.365 nan 8.230 nan 0.000 0.433 914 L N -0.430 120.848 121.223 0.091 0.000 2.318 914 L HA -0.464 3.876 4.340 -0.000 0.000 0.240 914 L C 2.521 179.427 176.870 0.061 0.000 1.135 914 L CA 2.518 57.394 54.840 0.061 0.000 0.850 914 L CB -0.891 41.181 42.059 0.021 0.000 0.970 914 L HN 0.470 nan 8.230 nan 0.000 0.442 915 A N -1.641 121.196 122.820 0.027 0.000 1.865 915 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 915 A C 2.349 179.932 177.584 -0.001 0.000 1.191 915 A CA 2.727 54.784 52.037 0.033 0.000 0.623 915 A CB -1.236 17.772 19.000 0.013 0.000 0.826 915 A HN 0.644 nan 8.150 nan 0.000 0.444 916 A N -1.205 121.513 122.820 -0.169 0.000 1.933 916 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 916 A C 2.222 179.709 177.584 -0.162 0.000 1.175 916 A CA 2.276 54.124 52.037 -0.315 0.000 0.628 916 A CB -1.201 17.260 19.000 -0.898 0.000 0.814 916 A HN 0.478 nan 8.150 nan 0.000 0.444 917 T N -1.493 113.019 114.554 -0.070 0.000 3.023 917 T HA 0.032 4.382 4.350 -0.000 0.000 0.266 917 T C 1.405 176.146 174.700 0.070 0.000 1.093 917 T CA 1.158 63.258 62.100 0.000 0.000 1.129 917 T CB -0.218 68.675 68.868 0.042 0.000 0.899 917 T HN 0.466 nan 8.240 nan 0.000 0.491 918 F N 1.440 121.358 119.950 -0.054 0.000 2.202 918 F HA 0.357 4.884 4.527 -0.000 0.000 0.279 918 F C 1.196 176.975 175.800 -0.036 0.000 1.077 918 F CA 0.045 58.026 58.000 -0.032 0.000 1.193 918 F CB -0.018 38.969 39.000 -0.022 0.000 1.090 918 F HN -0.216 nan 8.300 nan 0.000 0.516 919 R N 0.863 121.386 120.500 0.038 0.000 2.734 919 R HA 0.091 4.431 4.340 -0.000 0.000 0.266 919 R C 0.323 176.571 176.300 -0.085 0.000 1.044 919 R CA 0.601 56.661 56.100 -0.066 0.000 1.128 919 R CB 0.360 30.674 30.300 0.023 0.000 1.010 919 R HN 0.462 nan 8.270 nan 0.000 0.461 920 G N 4.769 113.514 108.800 -0.092 0.000 3.353 920 G HA2 0.177 4.137 3.960 -0.000 0.000 0.247 920 G HA3 0.177 4.137 3.960 -0.000 0.000 0.247 920 G C 0.570 175.439 174.900 -0.052 0.000 1.025 920 G CA -0.201 44.853 45.100 -0.077 0.000 1.863 920 G HN 0.330 nan 8.290 nan 0.000 0.635 921 L N -0.645 120.542 121.223 -0.060 0.000 2.874 921 L HA 0.827 5.167 4.340 -0.000 0.000 0.229 921 L C 0.607 177.440 176.870 -0.061 0.000 1.200 921 L CA -0.788 54.020 54.840 -0.052 0.000 0.976 921 L CB 1.449 43.465 42.059 -0.072 0.000 1.887 921 L HN 0.186 nan 8.230 nan 0.000 0.543 922 T N -1.887 112.637 114.554 -0.051 0.000 2.749 922 T HA 0.144 4.494 4.350 -0.000 0.000 0.310 922 T C -1.188 173.554 174.700 0.070 0.000 1.496 922 T CA -0.694 61.397 62.100 -0.015 0.000 1.006 922 T CB 1.281 70.160 68.868 0.018 0.000 1.457 922 T HN 0.572 nan 8.240 nan 0.000 0.497 923 N N 2.141 120.920 118.700 0.131 0.000 2.605 923 N HA 0.239 4.979 4.740 -0.000 0.000 0.282 923 N C -0.188 175.457 175.510 0.225 0.000 1.206 923 N CA -0.134 53.091 53.050 0.293 0.000 1.074 923 N CB 0.036 38.605 38.487 0.137 0.000 1.434 923 N HN 0.590 nan 8.380 nan 0.000 0.506 924 D N -0.387 120.170 120.400 0.260 0.000 2.577 924 D HA 0.127 4.767 4.640 -0.000 0.000 0.248 924 D C 1.091 177.506 176.300 0.192 0.000 1.181 924 D CA -0.679 53.432 54.000 0.185 0.000 1.083 924 D CB 0.071 40.943 40.800 0.119 0.000 1.198 924 D HN -0.032 nan 8.370 nan 0.000 0.626 925 V N -1.221 118.707 119.914 0.022 0.000 2.283 925 V HA -0.192 3.928 4.120 -0.000 0.000 0.243 925 V C 2.158 178.298 176.094 0.076 0.000 1.039 925 V CA 1.412 63.700 62.300 -0.020 0.000 1.016 925 V CB -0.942 30.632 31.823 -0.416 0.000 0.650 925 V HN 0.482 nan 8.190 nan 0.000 0.449 926 Y N -1.279 119.123 120.300 0.170 0.000 2.207 926 Y HA -0.294 4.256 4.550 -0.000 0.000 0.287 926 Y C 2.307 178.373 175.900 0.276 0.000 1.156 926 Y CA 2.080 60.305 58.100 0.208 0.000 1.182 926 Y CB -0.372 38.208 38.460 0.199 0.000 0.979 926 Y HN 0.310 nan 8.280 nan 0.000 0.521 927 F N 1.011 121.120 119.950 0.265 0.000 2.293 927 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 927 F C 2.110 178.031 175.800 0.202 0.000 1.089 927 F CA 1.219 59.339 58.000 0.201 0.000 1.377 927 F CB -0.548 38.544 39.000 0.152 0.000 1.051 927 F HN -0.032 nan 8.300 nan 0.000 0.511 928 Q N -0.261 119.601 119.800 0.103 0.000 2.515 928 Q HA 0.047 4.386 4.340 -0.000 0.000 0.214 928 Q C 0.816 176.867 176.000 0.085 0.000 0.971 928 Q CA 0.736 56.560 55.803 0.035 0.000 0.952 928 Q CB 0.015 28.868 28.738 0.191 0.000 0.999 928 Q HN 0.347 nan 8.270 nan 0.000 0.524 929 V N -3.277 116.722 119.914 0.142 0.000 3.480 929 V HA 0.222 4.342 4.120 -0.000 0.000 0.263 929 V C 1.741 177.938 176.094 0.171 0.000 1.442 929 V CA 0.714 63.105 62.300 0.152 0.000 1.053 929 V CB 0.451 32.377 31.823 0.172 0.000 0.846 929 V HN 0.314 nan 8.190 nan 0.000 0.440 930 G N 0.302 109.213 108.800 0.186 0.000 2.471 930 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.219 930 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.219 930 G C 1.456 176.431 174.900 0.124 0.000 1.125 930 G CA 0.518 45.736 45.100 0.198 0.000 0.775 930 G HN 0.369 nan 8.290 nan 0.000 0.548 931 L N -0.532 120.695 121.223 0.007 0.000 2.046 931 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 931 L C 2.663 179.556 176.870 0.039 0.000 1.077 931 L CA 1.092 55.893 54.840 -0.066 0.000 0.747 931 L CB -0.257 41.684 42.059 -0.196 0.000 0.896 931 L HN 0.242 nan 8.230 nan 0.000 0.432 932 L N -1.592 119.710 121.223 0.132 0.000 2.375 932 L HA -0.040 4.300 4.340 -0.000 0.000 0.215 932 L C 2.302 179.282 176.870 0.183 0.000 1.108 932 L CA 0.843 55.795 54.840 0.187 0.000 0.830 932 L CB -0.655 41.583 42.059 0.299 0.000 0.959 932 L HN 0.029 nan 8.230 nan 0.000 0.457 933 T N -1.589 113.107 114.554 0.235 0.000 3.163 933 T HA -0.080 4.270 4.350 -0.000 0.000 0.260 933 T C 1.671 176.392 174.700 0.035 0.000 1.156 933 T CA 1.349 63.567 62.100 0.198 0.000 1.072 933 T CB -0.079 68.948 68.868 0.266 0.000 0.937 933 T HN 0.325 nan 8.240 nan 0.000 0.528 934 T N 0.679 115.238 114.554 0.010 0.000 3.053 934 T HA 0.190 4.540 4.350 -0.000 0.000 0.236 934 T C 1.737 176.393 174.700 -0.074 0.000 0.996 934 T CA 0.174 62.248 62.100 -0.043 0.000 1.185 934 T CB -0.074 68.791 68.868 -0.006 0.000 0.892 934 T HN 0.196 nan 8.240 nan 0.000 0.432 935 I N 2.042 122.576 120.570 -0.060 0.000 2.229 935 I HA -0.220 3.950 4.170 -0.000 0.000 0.250 935 I C 2.553 178.601 176.117 -0.114 0.000 1.096 935 I CA 1.694 62.947 61.300 -0.077 0.000 1.358 935 I CB -0.641 37.321 38.000 -0.063 0.000 1.047 935 I HN 0.353 nan 8.210 nan 0.000 0.422 936 G N -0.005 108.705 108.800 -0.149 0.000 2.404 936 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.215 936 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.215 936 G C 1.621 176.424 174.900 -0.162 0.000 1.174 936 G CA 0.404 45.385 45.100 -0.199 0.000 0.780 936 G HN 0.353 nan 8.290 nan 0.000 0.537 937 L N 0.952 122.079 121.223 -0.160 0.000 2.395 937 L HA 0.052 4.392 4.340 -0.000 0.000 0.218 937 L C 2.873 179.647 176.870 -0.160 0.000 1.130 937 L CA 0.393 55.120 54.840 -0.188 0.000 0.826 937 L CB 0.055 41.935 42.059 -0.298 0.000 0.941 937 L HN 0.189 nan 8.230 nan 0.000 0.451 938 S N 0.030 115.652 115.700 -0.130 0.000 2.355 938 S HA 0.009 4.479 4.470 -0.000 0.000 0.216 938 S C 2.284 176.823 174.600 -0.102 0.000 1.037 938 S CA 0.728 58.866 58.200 -0.104 0.000 0.955 938 S CB -0.239 62.915 63.200 -0.077 0.000 0.877 938 S HN 0.417 nan 8.310 nan 0.000 0.488 939 A N 2.663 125.422 122.820 -0.102 0.000 1.894 939 A HA -0.354 3.965 4.320 -0.000 0.000 0.220 939 A C 1.957 179.475 177.584 -0.110 0.000 1.237 939 A CA 2.648 54.622 52.037 -0.106 0.000 0.660 939 A CB -0.967 17.966 19.000 -0.112 0.000 0.835 939 A HN 0.458 nan 8.150 nan 0.000 0.461 940 K N -0.248 120.082 120.400 -0.116 0.000 1.980 940 K HA -0.242 4.078 4.320 -0.000 0.000 0.223 940 K C 1.748 178.276 176.600 -0.121 0.000 1.052 940 K CA 2.355 58.574 56.287 -0.114 0.000 0.974 940 K CB -0.549 31.882 32.500 -0.115 0.000 0.734 940 K HN 0.465 nan 8.250 nan 0.000 0.447 941 N N 0.420 119.049 118.700 -0.118 0.000 2.037 941 N HA -0.207 4.532 4.740 -0.000 0.000 0.196 941 N C 1.632 177.071 175.510 -0.118 0.000 1.034 941 N CA 1.853 54.837 53.050 -0.109 0.000 0.861 941 N CB -0.938 37.490 38.487 -0.098 0.000 1.039 941 N HN 0.444 nan 8.380 nan 0.000 0.427 942 A N 1.370 124.118 122.820 -0.120 0.000 1.829 942 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 942 A C 2.300 179.809 177.584 -0.124 0.000 1.207 942 A CA 1.624 53.581 52.037 -0.132 0.000 0.622 942 A CB -1.169 17.764 19.000 -0.112 0.000 0.846 942 A HN 0.261 nan 8.150 nan 0.000 0.447 943 I N 0.196 120.699 120.570 -0.111 0.000 2.285 943 I HA -0.372 3.798 4.170 -0.000 0.000 0.253 943 I C 2.321 178.367 176.117 -0.118 0.000 1.104 943 I CA 1.446 62.694 61.300 -0.086 0.000 1.372 943 I CB -0.435 37.525 38.000 -0.067 0.000 1.057 943 I HN 0.384 nan 8.210 nan 0.000 0.431 944 L N -0.210 120.897 121.223 -0.194 0.000 1.994 944 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 944 L C 2.592 179.316 176.870 -0.244 0.000 1.071 944 L CA 1.136 55.757 54.840 -0.365 0.000 0.745 944 L CB -0.780 41.080 42.059 -0.331 0.000 0.892 944 L HN 0.212 nan 8.230 nan 0.000 0.431 945 I N -0.099 120.409 120.570 -0.104 0.000 2.145 945 I HA -0.285 3.885 4.170 -0.000 0.000 0.244 945 I C 2.589 178.740 176.117 0.055 0.000 1.075 945 I CA 1.555 62.852 61.300 -0.005 0.000 1.332 945 I CB -1.318 36.587 38.000 -0.159 0.000 1.033 945 I HN 0.071 nan 8.210 nan 0.000 0.410 946 V N 0.544 120.468 119.914 0.016 0.000 2.239 946 V HA -0.234 3.885 4.120 -0.000 0.000 0.242 946 V C 2.631 178.808 176.094 0.137 0.000 1.038 946 V CA 1.946 64.293 62.300 0.078 0.000 1.002 946 V CB -0.607 31.244 31.823 0.048 0.000 0.641 946 V HN 0.314 nan 8.190 nan 0.000 0.449 947 E N 0.335 120.609 120.200 0.123 0.000 2.065 947 E HA -0.250 4.100 4.350 -0.000 0.000 0.201 947 E C 2.012 178.749 176.600 0.230 0.000 1.016 947 E CA 2.117 58.595 56.400 0.130 0.000 0.818 947 E CB -0.463 29.254 29.700 0.030 0.000 0.749 947 E HN 0.605 nan 8.360 nan 0.000 0.453 948 F N -0.656 119.330 119.950 0.061 0.000 2.234 948 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 948 F C 2.253 178.090 175.800 0.062 0.000 1.087 948 F CA 0.232 58.264 58.000 0.054 0.000 1.340 948 F CB -0.060 38.978 39.000 0.064 0.000 1.031 948 F HN 0.194 nan 8.300 nan 0.000 0.500 949 A N -0.723 122.263 122.820 0.276 0.000 2.021 949 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 949 A C 1.781 179.458 177.584 0.155 0.000 1.163 949 A CA 0.959 53.115 52.037 0.198 0.000 0.676 949 A CB -0.171 18.954 19.000 0.208 0.000 0.818 949 A HN 0.053 nan 8.150 nan 0.000 0.453 950 K N 0.175 120.660 120.400 0.142 0.000 2.379 950 K HA 0.102 4.422 4.320 -0.000 0.000 0.194 950 K C 0.947 177.587 176.600 0.066 0.000 1.031 950 K CA 0.427 56.771 56.287 0.095 0.000 1.037 950 K CB -0.023 32.532 32.500 0.091 0.000 0.824 950 K HN 0.366 nan 8.250 nan 0.000 0.516 951 D N 0.557 121.009 120.400 0.087 0.000 2.077 951 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 951 D C 1.832 178.157 176.300 0.042 0.000 0.986 951 D CA 1.059 55.093 54.000 0.057 0.000 0.829 951 D CB -0.106 40.742 40.800 0.080 0.000 0.983 951 D HN 0.046 nan 8.370 nan 0.000 0.453 952 L N 0.437 121.693 121.223 0.056 0.000 1.956 952 L HA -0.232 4.108 4.340 -0.000 0.000 0.216 952 L C 2.738 179.635 176.870 0.046 0.000 1.073 952 L CA 1.311 56.176 54.840 0.042 0.000 0.762 952 L CB -0.457 41.633 42.059 0.052 0.000 0.889 952 L HN 0.055 nan 8.230 nan 0.000 0.433 953 M N -0.500 119.142 119.600 0.070 0.000 2.103 953 M HA -0.276 4.204 4.480 -0.000 0.000 0.255 953 M C 1.246 177.571 176.300 0.042 0.000 1.074 953 M CA 1.987 57.332 55.300 0.075 0.000 1.090 953 M CB -0.142 32.515 32.600 0.096 0.000 1.325 953 M HN 0.277 nan 8.290 nan 0.000 0.403 954 D N -0.206 120.208 120.400 0.025 0.000 2.166 954 D HA -0.032 4.608 4.640 -0.000 0.000 0.295 954 D C 1.406 177.709 176.300 0.004 0.000 1.145 954 D CA 0.868 54.871 54.000 0.006 0.000 0.901 954 D CB -0.650 40.145 40.800 -0.008 0.000 0.957 954 D HN 0.250 nan 8.370 nan 0.000 0.301 955 K N 0.785 121.183 120.400 -0.003 0.000 2.528 955 K HA -0.316 4.004 4.320 -0.000 0.000 0.204 955 K C 1.433 178.032 176.600 -0.003 0.000 0.852 955 K CA 1.839 58.122 56.287 -0.006 0.000 0.955 955 K CB -0.953 31.543 32.500 -0.008 0.000 1.245 955 K HN 0.426 nan 8.250 nan 0.000 0.546 956 E N 0.620 120.821 120.200 0.001 0.000 3.553 956 E HA 0.189 4.539 4.350 -0.000 0.000 0.546 956 E C 1.128 177.732 176.600 0.007 0.000 0.242 956 E CA 0.170 56.571 56.400 0.002 0.000 3.197 956 E CB -0.078 29.622 29.700 0.000 0.000 2.344 956 E HN 0.405 nan 8.360 nan 0.000 0.359 957 G N -0.142 108.665 108.800 0.012 0.000 2.552 957 G HA2 0.220 4.180 3.960 -0.000 0.000 0.318 957 G HA3 0.220 4.180 3.960 -0.000 0.000 0.318 957 G C 0.331 175.250 174.900 0.032 0.000 1.240 957 G CA -0.151 44.958 45.100 0.016 0.000 1.002 957 G HN 0.245 nan 8.290 nan 0.000 0.493 958 K N -0.319 120.104 120.400 0.038 0.000 1.963 958 K HA 0.167 4.487 4.320 -0.000 0.000 0.216 958 K C 1.391 178.041 176.600 0.084 0.000 1.045 958 K CA 1.510 57.837 56.287 0.068 0.000 0.954 958 K CB -0.827 31.713 32.500 0.067 0.000 0.732 958 K HN 1.500 nan 8.250 nan 0.000 0.442 959 G N 1.341 110.169 108.800 0.048 0.000 2.415 959 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.283 959 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.283 959 G C 0.312 175.224 174.900 0.021 0.000 1.014 959 G CA 0.483 45.596 45.100 0.021 0.000 1.323 959 G HN 0.391 nan 8.290 nan 0.000 0.502 960 L N 0.744 121.947 121.223 -0.034 0.000 1.997 960 L HA -0.080 4.260 4.340 -0.000 0.000 0.216 960 L C 2.620 179.152 176.870 -0.563 0.000 1.074 960 L CA 2.688 57.408 54.840 -0.199 0.000 0.763 960 L CB 0.001 41.963 42.059 -0.162 0.000 0.890 960 L HN 0.862 nan 8.230 nan 0.000 0.434 961 I N -4.881 115.484 120.570 -0.342 0.000 4.240 961 I HA 0.164 4.333 4.170 -0.000 0.000 0.331 961 I C 0.503 176.507 176.117 -0.188 0.000 1.381 961 I CA -0.116 60.994 61.300 -0.317 0.000 1.136 961 I CB 0.317 38.129 38.000 -0.314 0.000 1.137 961 I HN 0.029 nan 8.210 nan 0.000 0.411 962 E N 1.526 121.650 120.200 -0.127 0.000 2.451 962 E HA 0.398 4.748 4.350 -0.000 0.000 0.194 962 E C 1.324 177.899 176.600 -0.040 0.000 1.027 962 E CA 0.475 56.821 56.400 -0.089 0.000 0.914 962 E CB 1.070 30.724 29.700 -0.076 0.000 1.054 962 E HN 0.605 nan 8.360 nan 0.000 0.461 963 A N -0.091 122.726 122.820 -0.006 0.000 2.026 963 A HA -0.007 4.313 4.320 -0.000 0.000 0.198 963 A C 2.163 179.794 177.584 0.079 0.000 1.390 963 A CA 0.727 52.793 52.037 0.048 0.000 0.915 963 A CB -0.441 18.615 19.000 0.094 0.000 0.974 963 A HN 0.299 nan 8.150 nan 0.000 0.477 964 T N -0.926 113.679 114.554 0.084 0.000 2.788 964 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 964 T C 1.842 176.572 174.700 0.049 0.000 1.044 964 T CA 1.564 63.744 62.100 0.135 0.000 1.139 964 T CB -0.448 68.506 68.868 0.142 0.000 0.867 964 T HN 0.233 nan 8.240 nan 0.000 0.454 965 L N 0.944 122.115 121.223 -0.087 0.000 2.068 965 L HA 0.050 4.390 4.340 -0.000 0.000 0.204 965 L C 2.486 179.294 176.870 -0.103 0.000 1.076 965 L CA 1.874 56.598 54.840 -0.193 0.000 0.753 965 L CB -0.446 41.475 42.059 -0.230 0.000 0.910 965 L HN 0.152 nan 8.230 nan 0.000 0.439 966 D N -0.308 120.063 120.400 -0.048 0.000 2.221 966 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 966 D C 1.987 178.303 176.300 0.028 0.000 0.982 966 D CA 1.241 55.231 54.000 -0.017 0.000 0.857 966 D CB 0.207 41.001 40.800 -0.009 0.000 0.934 966 D HN 0.467 nan 8.370 nan 0.000 0.475 967 A N -0.219 122.648 122.820 0.078 0.000 1.854 967 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 967 A C 2.420 180.121 177.584 0.196 0.000 1.192 967 A CA 1.308 53.440 52.037 0.158 0.000 0.611 967 A CB -1.103 18.038 19.000 0.234 0.000 0.832 967 A HN 0.175 nan 8.150 nan 0.000 0.442 968 V N 0.371 120.402 119.914 0.196 0.000 2.227 968 V HA -0.387 3.733 4.120 -0.000 0.000 0.249 968 V C 2.399 178.572 176.094 0.132 0.000 1.046 968 V CA 3.006 65.425 62.300 0.199 0.000 1.015 968 V CB -0.710 31.274 31.823 0.269 0.000 0.648 968 V HN 0.740 nan 8.190 nan 0.000 0.460 969 R N 0.247 120.743 120.500 -0.006 0.000 2.459 969 R HA -0.294 4.046 4.340 -0.000 0.000 0.216 969 R C 1.513 177.853 176.300 0.067 0.000 0.939 969 R CA 3.107 59.212 56.100 0.009 0.000 0.742 969 R CB -0.841 29.448 30.300 -0.018 0.000 0.901 969 R HN 0.810 nan 8.270 nan 0.000 0.382 970 M N -0.221 119.431 119.600 0.086 0.000 3.344 970 M HA 0.340 4.820 4.480 -0.000 0.000 0.224 970 M C -0.374 176.017 176.300 0.151 0.000 1.164 970 M CA -0.094 55.258 55.300 0.087 0.000 1.135 970 M CB 0.890 33.513 32.600 0.039 0.000 1.228 970 M HN 0.180 nan 8.290 nan 0.000 0.586 971 R N -0.678 119.935 120.500 0.189 0.000 2.583 971 R HA 0.028 4.368 4.340 -0.000 0.000 0.051 971 R C 0.185 176.613 176.300 0.215 0.000 0.501 971 R CA -0.151 56.089 56.100 0.232 0.000 0.740 971 R CB -2.168 28.353 30.300 0.367 0.000 0.857 971 R HN 0.493 nan 8.270 nan 0.000 0.591 972 L N 0.247 121.603 121.223 0.221 0.000 2.275 972 L HA 0.195 4.535 4.340 -0.000 0.000 0.215 972 L C 1.697 178.655 176.870 0.148 0.000 1.119 972 L CA 1.603 56.565 54.840 0.204 0.000 0.790 972 L CB -0.511 41.707 42.059 0.264 0.000 0.919 972 L HN 0.505 nan 8.230 nan 0.000 0.443 973 R N 0.918 121.506 120.500 0.146 0.000 2.127 973 R HA -0.137 4.202 4.340 -0.000 0.000 0.228 973 R C -0.299 176.104 176.300 0.172 0.000 1.125 973 R CA 2.661 58.873 56.100 0.188 0.000 0.904 973 R CB -1.376 29.015 30.300 0.151 0.000 0.831 973 R HN 0.380 nan 8.270 nan 0.000 0.431 974 P HA -0.129 nan 4.420 nan 0.000 0.222 974 P C 1.368 178.680 177.300 0.020 0.000 1.147 974 P CA 1.366 64.507 63.100 0.068 0.000 0.790 974 P CB -0.123 31.628 31.700 0.084 0.000 0.780 975 I N -0.804 119.788 120.570 0.036 0.000 2.233 975 I HA -0.166 4.003 4.170 -0.000 0.000 0.243 975 I C 2.369 178.474 176.117 -0.020 0.000 1.093 975 I CA 1.186 62.487 61.300 0.001 0.000 1.380 975 I CB -0.433 37.580 38.000 0.022 0.000 1.067 975 I HN -0.097 nan 8.210 nan 0.000 0.413 976 L N -0.303 120.926 121.223 0.010 0.000 2.554 976 L HA -0.001 4.339 4.340 -0.000 0.000 0.226 976 L C 2.127 178.911 176.870 -0.142 0.000 1.137 976 L CA 0.529 55.366 54.840 -0.005 0.000 0.863 976 L CB 0.071 42.179 42.059 0.081 0.000 0.985 976 L HN 0.217 nan 8.230 nan 0.000 0.451 977 M N -2.063 117.410 119.600 -0.211 0.000 2.325 977 M HA -0.092 4.388 4.480 -0.000 0.000 0.265 977 M C 1.948 178.075 176.300 -0.289 0.000 1.094 977 M CA 1.383 56.378 55.300 -0.509 0.000 1.161 977 M CB 0.125 32.532 32.600 -0.322 0.000 1.358 977 M HN 0.086 nan 8.290 nan 0.000 0.446 978 T N -0.426 114.044 114.554 -0.140 0.000 2.612 978 T HA -0.140 4.210 4.350 -0.000 0.000 0.259 978 T C 1.769 176.451 174.700 -0.029 0.000 1.065 978 T CA 1.880 63.939 62.100 -0.069 0.000 1.167 978 T CB -0.493 68.345 68.868 -0.049 0.000 0.863 978 T HN 0.461 nan 8.240 nan 0.000 0.407 979 S N 0.848 116.522 115.700 -0.044 0.000 2.380 979 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 979 S C 2.038 176.673 174.600 0.057 0.000 1.043 979 S CA 1.561 59.754 58.200 -0.012 0.000 1.038 979 S CB -0.556 62.609 63.200 -0.059 0.000 0.872 979 S HN 0.414 nan 8.310 nan 0.000 0.456 980 L N 0.685 121.895 121.223 -0.021 0.000 2.179 980 L HA 0.202 4.541 4.340 -0.000 0.000 0.208 980 L C 2.400 179.253 176.870 -0.028 0.000 1.096 980 L CA 1.386 56.209 54.840 -0.028 0.000 0.779 980 L CB -0.577 41.434 42.059 -0.079 0.000 0.922 980 L HN 0.354 nan 8.230 nan 0.000 0.443 981 A N -0.532 122.257 122.820 -0.052 0.000 2.014 981 A HA -0.083 4.236 4.320 -0.000 0.000 0.218 981 A C 1.313 178.917 177.584 0.032 0.000 1.163 981 A CA 0.538 52.556 52.037 -0.032 0.000 0.652 981 A CB -0.712 18.250 19.000 -0.062 0.000 0.808 981 A HN 0.434 nan 8.150 nan 0.000 0.449 982 F N -0.553 119.354 119.950 -0.070 0.000 1.996 982 F HA 0.191 4.717 4.527 -0.000 0.000 0.237 982 F C 1.745 177.514 175.800 -0.051 0.000 1.004 982 F CA 0.661 58.630 58.000 -0.053 0.000 1.200 982 F CB 0.104 39.077 39.000 -0.045 0.000 1.887 982 F HN 0.215 nan 8.300 nan 0.000 0.532 983 I N -1.050 119.550 120.570 0.050 0.000 4.740 983 I HA -0.513 3.657 4.170 -0.000 0.000 0.046 983 I C 2.007 178.076 176.117 -0.079 0.000 0.628 983 I CA 2.195 63.513 61.300 0.030 0.000 0.634 983 I CB -1.750 36.306 38.000 0.094 0.000 0.604 983 I HN 0.547 nan 8.210 nan 0.000 0.157 984 L N 0.577 121.766 121.223 -0.056 0.000 2.043 984 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 984 L C 2.562 179.362 176.870 -0.116 0.000 1.075 984 L CA 2.168 56.966 54.840 -0.070 0.000 0.752 984 L CB -0.819 41.214 42.059 -0.043 0.000 0.891 984 L HN 0.651 nan 8.230 nan 0.000 0.432 985 G N -0.998 107.705 108.800 -0.162 0.000 2.422 985 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 985 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 985 G C 1.479 176.205 174.900 -0.290 0.000 1.140 985 G CA 0.540 45.513 45.100 -0.213 0.000 0.775 985 G HN 0.221 nan 8.290 nan 0.000 0.545 986 V N 0.629 120.318 119.914 -0.374 0.000 3.217 986 V HA -0.019 4.101 4.120 -0.000 0.000 0.264 986 V C 2.500 178.469 176.094 -0.209 0.000 1.135 986 V CA 1.417 63.505 62.300 -0.353 0.000 1.142 986 V CB -0.031 31.537 31.823 -0.426 0.000 0.754 986 V HN 0.393 nan 8.190 nan 0.000 0.484 987 M N 1.554 121.057 119.600 -0.161 0.000 2.117 987 M HA -0.061 4.419 4.480 -0.000 0.000 0.262 987 M C -0.503 175.731 176.300 -0.110 0.000 1.065 987 M CA 2.309 57.543 55.300 -0.110 0.000 1.114 987 M CB -0.868 31.682 32.600 -0.083 0.000 1.361 987 M HN 0.211 nan 8.290 nan 0.000 0.408 988 P HA -0.020 nan 4.420 nan 0.000 0.245 988 P C 0.674 177.890 177.300 -0.141 0.000 1.212 988 P CA 1.067 64.093 63.100 -0.123 0.000 0.774 988 P CB -0.286 31.336 31.700 -0.130 0.000 0.999 989 L N -2.802 118.324 121.223 -0.162 0.000 2.470 989 L HA 0.107 4.447 4.340 -0.000 0.000 0.219 989 L C 2.271 179.065 176.870 -0.126 0.000 1.071 989 L CA 0.235 54.968 54.840 -0.179 0.000 0.850 989 L CB -1.078 40.824 42.059 -0.262 0.000 1.040 989 L HN -0.262 nan 8.230 nan 0.000 0.475 990 V N 1.700 121.553 119.914 -0.101 0.000 2.270 990 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 990 V C 1.707 177.772 176.094 -0.049 0.000 1.043 990 V CA 1.773 64.034 62.300 -0.064 0.000 1.014 990 V CB -0.413 31.382 31.823 -0.047 0.000 0.645 990 V HN 0.430 nan 8.190 nan 0.000 0.447 991 I N -3.707 116.833 120.570 -0.051 0.000 4.499 991 I HA 0.533 4.703 4.170 -0.000 0.000 0.204 991 I C 1.299 177.383 176.117 -0.055 0.000 0.872 991 I CA 0.326 61.601 61.300 -0.042 0.000 1.678 991 I CB 0.603 38.587 38.000 -0.025 0.000 1.189 991 I HN 0.296 nan 8.210 nan 0.000 0.376 992 S N 0.350 116.023 115.700 -0.045 0.000 3.844 992 S HA -0.238 4.232 4.470 -0.000 0.000 0.256 992 S C 0.840 175.406 174.600 -0.057 0.000 1.740 992 S CA 1.629 59.798 58.200 -0.051 0.000 3.913 992 S CB -3.006 60.156 63.200 -0.063 0.000 0.658 992 S HN 1.233 nan 8.310 nan 0.000 0.463 993 T N 0.900 115.408 114.554 -0.077 0.000 2.901 993 T HA 0.544 4.894 4.350 -0.000 0.000 0.301 993 T C 0.619 175.279 174.700 -0.066 0.000 1.012 993 T CA 0.186 62.235 62.100 -0.085 0.000 1.135 993 T CB 1.482 70.281 68.868 -0.114 0.000 0.936 993 T HN 1.533 nan 8.240 nan 0.000 0.539 994 G N 0.014 108.781 108.800 -0.056 0.000 5.482 994 G HA2 0.578 4.538 3.960 -0.000 0.000 0.208 994 G HA3 0.578 4.538 3.960 -0.000 0.000 0.208 994 G C 0.260 175.152 174.900 -0.013 0.000 0.756 994 G CA -0.060 45.022 45.100 -0.030 0.000 0.682 994 G HN 1.261 nan 8.290 nan 0.000 0.405 995 A N -1.436 121.354 122.820 -0.050 0.000 2.407 995 A HA 0.406 4.726 4.320 -0.000 0.000 0.191 995 A C 1.886 179.317 177.584 -0.255 0.000 2.583 995 A CA 1.351 53.370 52.037 -0.030 0.000 1.367 995 A CB -0.796 18.260 19.000 0.094 0.000 0.898 995 A HN 1.009 nan 8.150 nan 0.000 0.446 996 G N 1.019 109.589 108.800 -0.383 0.000 2.414 996 G HA2 0.234 4.194 3.960 -0.000 0.000 0.215 996 G HA3 0.234 4.194 3.960 -0.000 0.000 0.215 996 G C 0.766 175.371 174.900 -0.490 0.000 1.188 996 G CA 1.725 46.430 45.100 -0.657 0.000 0.783 996 G HN 1.618 nan 8.290 nan 0.000 0.537 997 S N -1.035 114.513 115.700 -0.253 0.000 2.775 997 S HA 0.526 4.996 4.470 -0.000 0.000 0.277 997 S C 0.817 175.397 174.600 -0.034 0.000 1.156 997 S CA 0.174 58.301 58.200 -0.120 0.000 1.081 997 S CB 1.469 64.604 63.200 -0.109 0.000 1.054 997 S HN 0.428 nan 8.310 nan 0.000 0.482 998 G N 1.930 110.737 108.800 0.012 0.000 2.535 998 G HA2 0.114 4.073 3.960 -0.000 0.000 0.218 998 G HA3 0.114 4.073 3.960 -0.000 0.000 0.218 998 G C 1.266 176.173 174.900 0.011 0.000 1.122 998 G CA 0.528 45.640 45.100 0.021 0.000 0.769 998 G HN 1.066 nan 8.290 nan 0.000 0.549 999 A N 0.370 123.183 122.820 -0.012 0.000 1.969 999 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 999 A C 2.235 179.776 177.584 -0.070 0.000 1.169 999 A CA 1.718 53.647 52.037 -0.179 0.000 0.635 999 A CB -0.349 18.372 19.000 -0.466 0.000 0.810 999 A HN 0.429 nan 8.150 nan 0.000 0.445 1000 Q N -0.240 119.611 119.800 0.085 0.000 2.112 1000 Q HA -0.253 4.087 4.340 -0.000 0.000 0.206 1000 Q C 1.814 177.734 176.000 -0.134 0.000 0.987 1000 Q CA 2.047 57.773 55.803 -0.129 0.000 0.858 1000 Q CB -0.303 28.354 28.738 -0.135 0.000 0.905 1000 Q HN 0.862 nan 8.270 nan 0.000 0.420 1001 N N -0.079 118.578 118.700 -0.070 0.000 2.188 1001 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 1001 N C 1.635 177.133 175.510 -0.020 0.000 1.018 1001 N CA 0.831 53.854 53.050 -0.046 0.000 0.858 1001 N CB -0.100 38.373 38.487 -0.024 0.000 0.989 1001 N HN 0.190 nan 8.380 nan 0.000 0.426 1002 A N 0.547 123.365 122.820 -0.003 0.000 1.972 1002 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 1002 A C 2.238 179.904 177.584 0.135 0.000 1.169 1002 A CA 1.064 53.152 52.037 0.085 0.000 0.635 1002 A CB -0.441 18.678 19.000 0.198 0.000 0.810 1002 A HN 0.098 nan 8.150 nan 0.000 0.446 1003 V N -0.675 119.260 119.914 0.035 0.000 2.283 1003 V HA -0.024 4.096 4.120 -0.000 0.000 0.239 1003 V C 2.818 178.950 176.094 0.064 0.000 1.035 1003 V CA 1.733 64.082 62.300 0.081 0.000 1.018 1003 V CB -1.429 30.351 31.823 -0.073 0.000 0.658 1003 V HN 0.525 nan 8.190 nan 0.000 0.459 1004 G N -0.546 108.232 108.800 -0.037 0.000 2.448 1004 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 1004 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 1004 G C 1.606 176.517 174.900 0.019 0.000 1.127 1004 G CA 1.507 46.586 45.100 -0.036 0.000 0.766 1004 G HN 0.469 nan 8.290 nan 0.000 0.552 1005 T N 0.467 115.034 114.554 0.022 0.000 2.951 1005 T HA 0.063 4.413 4.350 -0.000 0.000 0.268 1005 T C 2.023 176.748 174.700 0.042 0.000 1.073 1005 T CA 1.083 63.193 62.100 0.018 0.000 1.134 1005 T CB 0.003 68.863 68.868 -0.013 0.000 0.884 1005 T HN 0.311 nan 8.240 nan 0.000 0.479 1006 G N 0.494 109.366 108.800 0.119 0.000 3.609 1006 G HA2 0.381 4.341 3.960 -0.000 0.000 0.280 1006 G HA3 0.381 4.341 3.960 -0.000 0.000 0.280 1006 G C 0.858 175.964 174.900 0.343 0.000 1.155 1006 G CA -0.076 45.189 45.100 0.276 0.000 0.876 1006 G HN 0.461 nan 8.290 nan 0.000 0.535 1007 V N -3.092 116.960 119.914 0.231 0.000 3.155 1007 V HA 0.223 4.343 4.120 -0.000 0.000 0.225 1007 V C 2.355 178.585 176.094 0.227 0.000 1.462 1007 V CA 0.155 62.605 62.300 0.250 0.000 1.270 1007 V CB -0.647 31.369 31.823 0.321 0.000 1.112 1007 V HN 0.207 nan 8.190 nan 0.000 0.479 1008 M N 1.679 121.382 119.600 0.171 0.000 2.108 1008 M HA -0.186 4.293 4.480 -0.000 0.000 0.257 1008 M C 2.127 178.483 176.300 0.093 0.000 1.071 1008 M CA 2.693 58.063 55.300 0.117 0.000 1.093 1008 M CB -0.595 32.039 32.600 0.057 0.000 1.345 1008 M HN 0.622 nan 8.290 nan 0.000 0.403 1009 G N -1.055 107.800 108.800 0.092 0.000 2.433 1009 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 1009 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 1009 G C 1.155 176.106 174.900 0.086 0.000 1.186 1009 G CA 0.892 46.039 45.100 0.077 0.000 0.779 1009 G HN 0.596 nan 8.290 nan 0.000 0.543 1010 G N -0.745 108.126 108.800 0.119 0.000 3.424 1010 G HA2 0.400 4.360 3.960 -0.000 0.000 0.263 1010 G HA3 0.400 4.360 3.960 -0.000 0.000 0.263 1010 G C 0.915 175.842 174.900 0.044 0.000 1.310 1010 G CA -0.114 45.038 45.100 0.088 0.000 1.089 1010 G HN 0.244 nan 8.290 nan 0.000 0.534 1011 M N -1.101 118.529 119.600 0.049 0.000 2.046 1011 M HA 0.140 4.620 4.480 -0.000 0.000 0.246 1011 M C 2.288 178.598 176.300 0.015 0.000 1.248 1011 M CA 0.339 55.647 55.300 0.012 0.000 1.053 1011 M CB 0.035 32.673 32.600 0.063 0.000 1.741 1011 M HN 0.056 nan 8.290 nan 0.000 0.606 1012 V N 1.047 120.980 119.914 0.031 0.000 2.278 1012 V HA -0.253 3.867 4.120 -0.000 0.000 0.251 1012 V C 1.612 177.711 176.094 0.007 0.000 1.062 1012 V CA 2.188 64.495 62.300 0.012 0.000 1.038 1012 V CB -0.663 31.166 31.823 0.009 0.000 0.646 1012 V HN 0.419 nan 8.190 nan 0.000 0.447 1013 T N -0.968 113.598 114.554 0.018 0.000 3.223 1013 T HA 0.494 4.844 4.350 -0.000 0.000 0.259 1013 T C 0.983 175.698 174.700 0.026 0.000 1.015 1013 T CA 0.655 62.771 62.100 0.027 0.000 0.908 1013 T CB 0.450 69.336 68.868 0.029 0.000 1.054 1013 T HN 0.493 nan 8.240 nan 0.000 0.567 1014 A N 0.852 123.677 122.820 0.007 0.000 2.066 1014 A HA 0.198 4.518 4.320 -0.000 0.000 0.198 1014 A C 2.210 179.784 177.584 -0.016 0.000 1.405 1014 A CA 0.621 52.652 52.037 -0.010 0.000 0.973 1014 A CB -0.112 18.861 19.000 -0.044 0.000 1.026 1014 A HN 0.482 nan 8.150 nan 0.000 0.474 1015 T N -3.105 111.436 114.554 -0.022 0.000 3.046 1015 T HA 0.121 4.471 4.350 -0.000 0.000 0.242 1015 T C 0.648 175.333 174.700 -0.026 0.000 1.018 1015 T CA 0.862 62.947 62.100 -0.026 0.000 1.131 1015 T CB -0.482 68.359 68.868 -0.045 0.000 0.904 1015 T HN 0.023 nan 8.240 nan 0.000 0.459 1016 V N 2.327 122.216 119.914 -0.042 0.000 1.984 1016 V HA 0.454 4.574 4.120 -0.000 0.000 0.272 1016 V C 0.570 176.691 176.094 0.044 0.000 1.706 1016 V CA 0.302 62.553 62.300 -0.083 0.000 1.644 1016 V CB -0.856 30.910 31.823 -0.095 0.000 1.509 1016 V HN 0.474 nan 8.190 nan 0.000 0.511 1017 L N 1.234 122.533 121.223 0.126 0.000 1.231 1017 L HA 0.153 4.493 4.340 -0.000 0.000 0.068 1017 L C 1.872 178.879 176.870 0.228 0.000 1.471 1017 L CA 1.392 56.375 54.840 0.238 0.000 1.150 1017 L CB -0.687 41.468 42.059 0.159 0.000 2.354 1017 L HN 0.209 nan 8.230 nan 0.000 0.450 1018 A N -0.501 122.396 122.820 0.128 0.000 2.067 1018 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 1018 A C 1.599 179.228 177.584 0.074 0.000 1.156 1018 A CA 1.493 53.571 52.037 0.068 0.000 0.683 1018 A CB -0.337 18.662 19.000 -0.003 0.000 0.808 1018 A HN 0.295 nan 8.150 nan 0.000 0.455 1019 I N -1.751 118.933 120.570 0.190 0.000 3.810 1019 I HA 0.412 4.582 4.170 -0.000 0.000 0.322 1019 I C -0.154 176.401 176.117 0.729 0.000 1.288 1019 I CA -0.150 61.377 61.300 0.379 0.000 1.143 1019 I CB -0.714 37.390 38.000 0.175 0.000 1.012 1019 I HN 0.254 nan 8.210 nan 0.000 0.423 1020 F N -2.702 117.430 119.950 0.303 0.000 3.306 1020 F HA 0.188 4.715 4.527 -0.000 0.000 0.326 1020 F C 0.987 176.892 175.800 0.176 0.000 1.169 1020 F CA -0.845 57.238 58.000 0.139 0.000 0.883 1020 F CB 0.297 39.206 39.000 -0.153 0.000 1.505 1020 F HN -0.123 nan 8.300 nan 0.000 0.504 1021 F N 0.140 120.160 119.950 0.116 0.000 2.326 1021 F HA -0.387 4.140 4.527 -0.000 0.000 0.234 1021 F C 0.726 176.423 175.800 -0.172 0.000 1.215 1021 F CA 1.703 59.663 58.000 -0.067 0.000 1.774 1021 F CB -1.443 37.667 39.000 0.184 0.000 0.668 1021 F HN 0.099 nan 8.300 nan 0.000 0.407 1022 V N 0.835 120.903 119.914 0.257 0.000 2.713 1022 V HA 0.234 4.354 4.120 -0.000 0.000 0.307 1022 V C -1.448 174.747 176.094 0.169 0.000 1.052 1022 V CA -2.054 60.314 62.300 0.114 0.000 0.967 1022 V CB 1.546 33.485 31.823 0.193 0.000 1.019 1022 V HN -0.064 nan 8.190 nan 0.000 0.459 1023 P HA -0.226 nan 4.420 nan 0.000 0.257 1023 P C 0.610 178.010 177.300 0.166 0.000 1.477 1023 P CA 2.202 65.418 63.100 0.194 0.000 1.317 1023 P CB -0.076 31.665 31.700 0.068 0.000 0.524 1024 V N -4.764 115.158 119.914 0.014 0.000 4.654 1024 V HA -0.267 3.852 4.120 -0.000 0.000 0.261 1024 V C 0.763 176.508 176.094 -0.581 0.000 0.471 1024 V CA 1.926 64.080 62.300 -0.243 0.000 0.802 1024 V CB -3.146 28.486 31.823 -0.319 0.000 0.768 1024 V HN 0.546 nan 8.190 nan 0.000 1.286 1025 F N -4.609 115.422 119.950 0.135 0.000 1.672 1025 F HA 0.064 4.591 4.527 -0.000 0.000 0.328 1025 F C 1.412 177.209 175.800 -0.005 0.000 1.159 1025 F CA 0.213 58.238 58.000 0.041 0.000 1.244 1025 F CB -0.629 38.360 39.000 -0.019 0.000 1.831 1025 F HN 0.077 nan 8.300 nan 0.000 0.230 1026 F N 1.985 122.053 119.950 0.197 0.000 2.171 1026 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 1026 F C 2.405 178.253 175.800 0.079 0.000 1.090 1026 F CA 1.866 59.930 58.000 0.106 0.000 1.293 1026 F CB -0.765 38.285 39.000 0.083 0.000 1.013 1026 F HN -0.086 nan 8.300 nan 0.000 0.486 1027 V N -1.471 118.587 119.914 0.240 0.000 2.215 1027 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 1027 V C 2.155 178.347 176.094 0.164 0.000 1.047 1027 V CA 2.074 64.456 62.300 0.136 0.000 0.999 1027 V CB -1.718 30.149 31.823 0.074 0.000 0.635 1027 V HN 0.164 nan 8.190 nan 0.000 0.450 1028 V N 0.307 120.323 119.914 0.170 0.000 2.439 1028 V HA -0.244 3.876 4.120 -0.000 0.000 0.253 1028 V C 2.605 178.920 176.094 0.368 0.000 1.074 1028 V CA 1.981 64.411 62.300 0.216 0.000 1.076 1028 V CB -1.172 30.787 31.823 0.228 0.000 0.664 1028 V HN 0.442 nan 8.190 nan 0.000 0.461 1029 V N 1.461 121.560 119.914 0.308 0.000 2.214 1029 V HA -0.329 3.791 4.120 -0.000 0.000 0.247 1029 V C 2.697 178.985 176.094 0.323 0.000 1.051 1029 V CA 2.890 65.351 62.300 0.269 0.000 1.003 1029 V CB -0.791 31.043 31.823 0.017 0.000 0.635 1029 V HN 0.650 nan 8.190 nan 0.000 0.447 1030 R N 0.198 120.823 120.500 0.209 0.000 2.148 1030 R HA -0.015 4.325 4.340 -0.000 0.000 0.223 1030 R C 2.223 178.623 176.300 0.167 0.000 1.088 1030 R CA 0.896 57.098 56.100 0.170 0.000 0.985 1030 R CB -0.403 29.971 30.300 0.124 0.000 0.880 1030 R HN 0.484 nan 8.270 nan 0.000 0.451 1031 R N 0.535 121.139 120.500 0.175 0.000 2.064 1031 R HA 0.099 4.438 4.340 -0.000 0.000 0.221 1031 R C 2.204 178.581 176.300 0.130 0.000 1.136 1031 R CA 0.589 56.789 56.100 0.166 0.000 0.980 1031 R CB -0.374 30.044 30.300 0.196 0.000 0.876 1031 R HN 0.045 nan 8.270 nan 0.000 0.437 1032 R N 1.043 121.580 120.500 0.061 0.000 2.057 1032 R HA 0.033 4.373 4.340 -0.000 0.000 0.229 1032 R C 0.779 176.941 176.300 -0.229 0.000 1.136 1032 R CA 1.321 57.325 56.100 -0.160 0.000 0.952 1032 R CB -0.570 29.484 30.300 -0.410 0.000 0.848 1032 R HN -0.006 nan 8.270 nan 0.000 0.430 1033 F N 0.089 120.073 119.950 0.057 0.000 2.219 1033 F HA 0.126 4.653 4.527 -0.000 0.000 0.249 1033 F C 2.063 177.890 175.800 0.045 0.000 0.872 1033 F CA 0.535 58.561 58.000 0.042 0.000 1.132 1033 F CB -0.342 38.675 39.000 0.028 0.000 1.994 1033 F HN 0.229 nan 8.300 nan 0.000 0.603 1034 S N -1.033 114.826 115.700 0.265 0.000 2.115 1034 S HA -0.359 4.110 4.470 -0.000 0.000 0.227 1034 S C 0.681 175.345 174.600 0.106 0.000 1.127 1034 S CA 1.770 60.058 58.200 0.147 0.000 1.645 1034 S CB -1.341 61.935 63.200 0.128 0.000 2.159 1034 S HN 0.889 nan 8.310 nan 0.000 0.584 1035 R N 1.846 122.407 120.500 0.100 0.000 3.188 1035 R HA 0.596 4.936 4.340 -0.000 0.000 0.095 1035 R C 0.030 176.365 176.300 0.058 0.000 0.771 1035 R CA 0.104 56.247 56.100 0.072 0.000 0.588 1035 R CB -0.367 29.974 30.300 0.068 0.000 0.559 1035 R HN 0.700 nan 8.270 nan 0.000 0.342 1036 K N 0.000 120.431 120.400 0.052 0.000 2.780 1036 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1036 K CA 0.000 56.304 56.287 0.028 0.000 0.838 1036 K CB 0.000 32.522 32.500 0.036 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543